| 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 | R | 41.3 | Very low | 59.1 | Low | 286 Ų | 286 | 104.5 Ų | 104.5 | 100% | 1.079 | 57% | 0.565 | S | S | * | * | 0 | 101.2 | 0 | -77.2 | -177.4 | -178.2 | -179.3 | 0.6 | 107 | C3 | R1-C3 PolarHBondContact O-N 3.36Š| |||
| 2 | S | 41.8 | Very low | 58.7 | Low | 107 Ų | 107 | 105.8 Ų | 105.8 | 75% | 0.748 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122 | 179.3 | -40.9 | 0 | 0 | 0 | 0 | 109 | ||
| 3 | C | 53.4 | Low | 58.3 | Low | 43 Ų | 43 | 111.5 Ų | 111.5 | 29% | 0.291 | 60% | 0.597 | S | S | . | * | P | Polyproline II helix | trans | -85 | 122.8 | 173 | -76.9 | 0 | 0 | 0 | 0 | 108.2 | R1 C22 | R1-C3 PolarHBondContact O-N 3.36Å; C3-C22 HydrophobicContact CB-CB 3.27Å; C3-C22 WeakPolarHBondContact CB-SG 3.19Å |
| 4 | N | 59.3 | Low | 58.4 | Low | 117 Ų | 117 | 108.2 Ų | 108.2 | 63% | 0.626 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 170.4 | 177.2 | -72.4 | -29.5 | 0 | 0 | 0 | 111.5 | Y6 | N4-Y6 WeakPolarHBondContact O-CD2 3.19Å; N4-Y6 VanDerWaalsContact O-CE2 3.31Å; N4-Y6 WeakPolarHBondContact O-CE2 3.13Å; N4-Y6 PolarHBondContact O-N 3.45Å |
| 5 | I | 62.6 | Low | 58.4 | Low | 108 Ų | 108 | 107.9 Ų | 107.9 | 55% | 0.554 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 123.1 | 165.7 | -64.1 | 168.2 | 0 | 0 | 0 | 108 | Y21 | I5-Y21 HydrophobicContact CD1-CD2 4.29Å; I5-Y21 HydrophobicContact CG1-CD2 3.91Å |
| 6 | Y | 63.7 | Low | 58.8 | Low | 119 Ų | 119 | 102.3 Ų | 102.3 | 47% | 0.467 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.8 | 174.2 | -70.9 | -93.5 | 0 | 0 | 0 | 109.2 | N4 T19 K20 W28 | N4-Y6 WeakPolarHBondContact O-CD2 3.19Å; N4-Y6 VanDerWaalsContact O-CE2 3.31Å; N4-Y6 WeakPolarHBondContact O-CE2 3.13Å; N4-Y6 PolarHBondContact O-N 3.45Å; Y6-T19 WeakPolarHBondContact O-CA 3.34Å; Y6-K20 PolarHBondContact N-O 2.84Å; Y6-K20 VanDerWaalsContact N-O 3.12Å; Y6-K20 PolarHBondContact O-N 2.91Å; Y6-W28 AromaticContact CD2-CH2 3.47Å; Y6-W28 HydrophobicContact CD2-CH2 3.47Å; Y6-W28 VanDerWaalsContact CD2-CH2 3.47Å; Y6-W28 HydrophobicContact CD2-CZ3 4.02Å; Y6-W28 AromaticContact CE2-CH2 3.82Å; Y6-W28 HydrophobicContact CE2-CH2 3.82Å; Y6-W28 HydrophobicContact CG-CH2 4.36Å |
| 7 | S | 64.1 | Low | 59.3 | Low | 79 Ų | 79 | 100.8 Ų | 100.8 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.8 | 168.1 | -60 | 0 | 0 | 0 | 0 | 108.3 | V18 | S7-V18 CarbonylContact C-O 3.55Å; S7-V18 VanDerWaalsContact CA-O 3.29Å; S7-V18 WeakPolarHBondContact CA-O 3.19Å |
| 8 | L | 67.9 | Low | 60.3 | Low | 116 Ų | 116 | 95.7 Ų | 95.7 | 61% | 0.607 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 143.8 | 177.7 | -69 | 166.7 | 0 | 0 | 0 | 109.4 | T17 V18 | L8-T17 CarbonylContact O-C 3.55Å; L8-T17 WeakPolarHBondContact O-CA 3.34Å; L8-V18 PolarHBondContact N-O 3.35Å; L8-V18 PolarHBondContact O-N 2.84Å |
| 9 | T | 68.7 | Low | 61 | Low | 109 Ų | 109 | 94.6 Ų | 94.6 | 67% | 0.669 | 52% | 0.516 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 148.5 | 171.2 | 50.5 | 0 | 0 | 0 | 0 | 110.3 | G11 G16 | T9-G11 PolarHBondContact O-N 3.08Å; T9-G16 WeakPolarHBondContact CA-O 3.33Å |
| 10 | C | 64.3 | Low | 61.9 | Low | 14 Ų | 14 | 92.1 Ų | 92.1 | 10% | 0.095 | 50% | 0.5 | C | S | . | . | trans | -71.6 | 53.6 | 178.5 | -56.8 | 0 | 0 | 0 | 0 | 112.7 | I14 G16 C48 | C10-I14 HydrophobicContact CB-CB 3.75Å; C10-I14 HydrophobicContact CB-CG2 3.79Å; C10-I14 WeakPolarHBondContact CB-O 3.33Å; C10-I14 VanDerWaalsContact O-CB 3.23Å; C10-I14 WeakPolarHBondContact O-CB 3.11Å; C10-G16 PolarHBondContact N-O 3.4Å; C10-G16 WeakPolarHBondContact SG-CA 3.34Å; C10-G16 PolarHBondContact SG-O 3.48Å; C10-C48 HydrophobicContact CB-CB 3.65Å; C10-C48 WeakPolarHBondContact CB-SG 3.42Å; C10-C48 WeakPolarHBondContact SG-CA 3.47Å; C10-C48 WeakPolarHBondContact SG-CB 3.14Å; C10-C48 CovalentContact SG-SG 2.01Å; C10-C48 PolarHBondContact SG-SG 3.03Å | ||
| 11 | G | 62.8 | Low | 62.8 | Low | 51 Ų | 51 | 93.4 Ų | 93.4 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | -179.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T9 Y13 | T9-G11 PolarHBondContact O-N 3.08Å; G11-Y13 VanDerWaalsContact C-N 3.25Å; G11-Y13 PolarHBondContact O-N 3.33Å |
| 12 | S | 54.7 | Low | 64.7 | Low | 120 Ų | 120 | 80.1 Ų | 80.1 | 84% | 0.839 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.6 | -171.8 | -50.9 | 0 | 0 | 0 | 0 | 115 | ||
| 13 | Y | 53.2 | Low | 66.6 | Low | 181 Ų | 181 | 77.7 Ų | 77.7 | 71% | 0.71 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.3 | -5 | -170.6 | -64.6 | -79.6 | 0 | 0 | 0 | 114.2 | G11 | G11-Y13 VanDerWaalsContact C-N 3.25Å; G11-Y13 PolarHBondContact O-N 3.33Å |
| 14 | I | 59.5 | Low | 67.9 | Low | 65 Ų | 65 | 80.5 Ų | 80.5 | 33% | 0.333 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -123.6 | 123.1 | -179.9 | -49.8 | 171.7 | 0 | 0 | 0 | 108.1 | C10 G16 C48 | C10-I14 HydrophobicContact CB-CB 3.75Å; C10-I14 HydrophobicContact CB-CG2 3.79Å; C10-I14 WeakPolarHBondContact CB-O 3.33Å; C10-I14 VanDerWaalsContact O-CB 3.23Å; C10-I14 WeakPolarHBondContact O-CB 3.11Å; I14-G16 PolarHBondContact O-N 3.48Å; I14-C48 HydrophobicContact CG2-CB 4.32Å; I14-C48 WeakPolarHBondContact CG2-O 3.22Å |
| 15 | I | 59 | Low | 69 | Low | 103 Ų | 103 | 78.4 Ų | 78.4 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | trans | -81.8 | 113.2 | 175.9 | -58.4 | 173.3 | 0 | 0 | 0 | 107.8 | E316 | I15-E316 HydrophobicContact CD1-CG 4.43Š| ||
| 16 | G | 64.4 | Low | 69.9 | Low | 19 Ų | 19 | 75.2 Ų | 75.2 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | trans | 174.4 | 158.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T9 C10 I14 | T9-G16 WeakPolarHBondContact CA-O 3.33Å; C10-G16 PolarHBondContact N-O 3.4Å; C10-G16 WeakPolarHBondContact SG-CA 3.34Å; C10-G16 PolarHBondContact SG-O 3.48Å; I14-G16 PolarHBondContact O-N 3.48Å | ||
| 17 | T | 68 | Low | 70.8 | Confident | 76 Ų | 76 | 76.6 Ų | 76.6 | 47% | 0.466 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.8 | 173.5 | 53.6 | 0 | 0 | 0 | 0 | 109.8 | L8 | L8-T17 CarbonylContact O-C 3.55Å; L8-T17 WeakPolarHBondContact O-CA 3.34Å |
| 18 | V | 76.1 | Confident | 71.8 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 6% | 0.061 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.9 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 108 | S7 L8 T43 Y45 C48 | S7-V18 CarbonylContact C-O 3.55Å; S7-V18 VanDerWaalsContact CA-O 3.29Å; S7-V18 WeakPolarHBondContact CA-O 3.19Å; L8-V18 PolarHBondContact N-O 3.35Å; L8-V18 PolarHBondContact O-N 2.84Å; V18-T43 HydrophobicContact CB-CG2 4.47Å; V18-T43 HydrophobicContact CG1-CG2 2.96Å; V18-Y45 HydrophobicContact CG1-CD1 4.05Å; V18-Y45 HydrophobicContact CG1-CE1 3.93Å; V18-Y45 HydrophobicContact CG2-CD1 3.84Å; V18-Y45 HydrophobicContact CG2-CE1 4.19Å; V18-C48 WeakPolarHBondContact CG2-SG 3.32Å |
| 19 | T | 73.8 | Confident | 72.5 | Confident | 75 Ų | 75 | 71.1 Ų | 71.1 | 46% | 0.46 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 133.1 | 176.1 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | Y6 | Y6-T19 WeakPolarHBondContact O-CA 3.34Å |
| 20 | K | 79.5 | Confident | 73.3 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 19% | 0.187 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.5 | 173 | -161.4 | -176.5 | -175.8 | -170.4 | 0 | 110.2 | Y6 W28 S40 T43 | Y6-K20 PolarHBondContact N-O 2.84Å; Y6-K20 VanDerWaalsContact N-O 3.12Å; Y6-K20 PolarHBondContact O-N 2.91Å; K20-W28 HydrophobicContact CB-CE3 4.37Å; K20-W28 HydrophobicContact CB-CZ3 4.02Å; K20-W28 HydrophobicContact CD-CD2 3.91Å; K20-W28 HydrophobicContact CD-CE3 3.47Å; K20-W28 VanDerWaalsContact CD-CE3 3.47Å; K20-W28 HydrophobicContact CD-CH2 4.16Å; K20-W28 HydrophobicContact CD-CZ3 3.61Å; K20-W28 HydrophobicContact CG-CD2 4.42Å; K20-W28 HydrophobicContact CG-CE3 3.56Å; K20-W28 HydrophobicContact CG-CZ3 3.7Å; K20-S40 WeakPolarHBondContact CE-O 3.1Å; K20-S40 PolarHBondContact NZ-O 2.77Å; K20-T43 WeakPolarHBondContact CD-OG1 3.45Å; K20-T43 WeakPolarHBondContact CG-OG1 3.49Å |
| 21 | Y | 80.6 | Confident | 74.1 | Confident | 121 Ų | 121 | 72.9 Ų | 72.9 | 48% | 0.475 | 41% | 0.405 | S | S | . | . | trans | -98.4 | 131.3 | -178.8 | 178.8 | -95.1 | 0 | 0 | 0 | 111 | I5 H23 A29 | I5-Y21 HydrophobicContact CD1-CD2 4.29Å; I5-Y21 HydrophobicContact CG1-CD2 3.91Å; Y21-H23 HydrophobicContact CE1-CB 4.4Å; Y21-A29 HydrophobicContact CD1-CB 3.7Å; Y21-A29 PolarHBondContact O-N 3.49Å | ||
| 22 | C | 81.6 | Confident | 74.9 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 4% | 0.041 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | -112.3 | 132.9 | 172.1 | -160.9 | 0 | 0 | 0 | 0 | 109.9 | C3 R27 W28 | C3-C22 HydrophobicContact CB-CB 3.27Å; C3-C22 WeakPolarHBondContact CB-SG 3.19Å; C22-R27 VanDerWaalsContact SG-C 3.55Å; C22-R27 PolarHBondContact SG-O 2.66Å; C22-R27 VanDerWaalsContact SG-O 3.39Å; C22-W28 HydrophobicContact CB-CD2 4.18Å; C22-W28 HydrophobicContact CB-CE3 3.6Å; C22-W28 HydrophobicContact CB-CH2 4.33Å; C22-W28 HydrophobicContact CB-CZ3 3.68Å |
| 23 | H | 81 | Confident | 76 | Confident | 56 Ų | 56 | 78.1 Ų | 78.1 | 26% | 0.259 | 41% | 0.411 | S | S | . | . | trans | -75.8 | 158.1 | 179.5 | -171.7 | -107.1 | 0 | 0 | 0 | 111.4 | Y21 S25 G26 R27 F36 | Y21-H23 HydrophobicContact CE1-CB 4.4Å; H23-S25 WeakPolarHBondContact ND1-CB 3.5Å; H23-S25 PolarHBondContact ND1-N 3.05Å; H23-S25 PolarHBondContact ND1-OG 3.49Å; H23-S25 PolarHBondContact O-N 2.9Å; H23-S25 VanDerWaalsContact O-N 3.07Å; H23-G26 PolarHBondContact O-N 3.39Å; H23-R27 WeakPolarHBondContact CB-O 3.47Å; H23-R27 PolarHBondContact N-O 3.41Å; H23-F36 HydrophobicContact CB-CD1 3.8Å; H23-F36 HydrophobicContact CB-CE1 3.35Å; H23-F36 HydrophobicContact CB-CZ 3.78Å; H23-F36 AromaticContact CD2-CE1 3.95Å; H23-F36 AromaticContact CD2-CE2 3.99Å; H23-F36 AromaticContact CD2-CZ 3.41Å; H23-F36 VanDerWaalsContact CD2-CZ 3.41Å; H23-F36 WeakPolarHBondContact CD2-CZ 3.37Å; H23-F36 AromaticContact CG-CE1 3.69Å; H23-F36 AromaticContact CG-CZ 3.53Å | ||
| 24 | S | 82.1 | Confident | 77.2 | Confident | 102 Ų | 102 | 72.3 Ų | 72.3 | 71% | 0.713 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23.7 | 177.8 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | G26 | S24-G26 PolarHBondContact O-N 2.96Š|
| 25 | S | 82.2 | Confident | 78.2 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -4.3 | 172.6 | 62.9 | 0 | 0 | 0 | 0 | 114.4 | H23 R27 | H23-S25 WeakPolarHBondContact ND1-CB 3.5Å; H23-S25 PolarHBondContact ND1-N 3.05Å; H23-S25 PolarHBondContact ND1-OG 3.49Å; H23-S25 PolarHBondContact O-N 2.9Å; H23-S25 VanDerWaalsContact O-N 3.07Å; S25-R27 VanDerWaalsContact C-N 3.31Å |
| 26 | G | 81.4 | Confident | 79.3 | Confident | 40 Ų | 40 | 69.6 Ų | 69.6 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 80.2 | 9.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | H23 S24 | H23-G26 PolarHBondContact O-N 3.39Å; S24-G26 PolarHBondContact O-N 2.96Å |
| 27 | R | 83 | Confident | 80.1 | Confident | 149 Ų | 149 | 73.5 Ų | 73.5 | 56% | 0.562 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -101.9 | 140.1 | 175.6 | -61.3 | -170.2 | -178.2 | -162.6 | 1.5 | 110.8 | C22 H23 S25 F36 | C22-R27 VanDerWaalsContact SG-C 3.55Å; C22-R27 PolarHBondContact SG-O 2.66Å; C22-R27 VanDerWaalsContact SG-O 3.39Å; H23-R27 WeakPolarHBondContact CB-O 3.47Å; H23-R27 PolarHBondContact N-O 3.41Å; S25-R27 VanDerWaalsContact C-N 3.31Å; R27-F36 HydrophobicContact CB-CB 4.01Å; R27-F36 WeakPolarHBondContact CD-O 3.26Å |
| 28 | W | 83.8 | Confident | 80.6 | Confident | 59 Ų | 59 | 73.7 Ų | 73.7 | 22% | 0.223 | 41% | 0.414 | C | S | . | . | B | Isolated β-bridge | trans | -68.8 | 138.7 | 175.3 | -64.3 | 102.3 | 0 | 0 | 0 | 111.1 | Y6 K20 C22 P39 | Y6-W28 AromaticContact CD2-CH2 3.47Å; Y6-W28 HydrophobicContact CD2-CH2 3.47Å; Y6-W28 VanDerWaalsContact CD2-CH2 3.47Å; Y6-W28 HydrophobicContact CD2-CZ3 4.02Å; Y6-W28 AromaticContact CE2-CH2 3.82Å; Y6-W28 HydrophobicContact CE2-CH2 3.82Å; Y6-W28 HydrophobicContact CG-CH2 4.36Å; K20-W28 HydrophobicContact CB-CE3 4.37Å; K20-W28 HydrophobicContact CB-CZ3 4.02Å; K20-W28 HydrophobicContact CD-CD2 3.91Å; K20-W28 HydrophobicContact CD-CE3 3.47Å; K20-W28 VanDerWaalsContact CD-CE3 3.47Å; K20-W28 HydrophobicContact CD-CH2 4.16Å; K20-W28 HydrophobicContact CD-CZ3 3.61Å; K20-W28 HydrophobicContact CG-CD2 4.42Å; K20-W28 HydrophobicContact CG-CE3 3.56Å; K20-W28 HydrophobicContact CG-CZ3 3.7Å; C22-W28 HydrophobicContact CB-CD2 4.18Å; C22-W28 HydrophobicContact CB-CE3 3.6Å; C22-W28 HydrophobicContact CB-CH2 4.33Å; C22-W28 HydrophobicContact CB-CZ3 3.68Å; W28-P39 VanDerWaalsContact CD1-O 3.27Å |
| 29 | A | 83.8 | Confident | 80.6 | Confident | 20 Ų | 20 | 78.6 Ų | 78.6 | 17% | 0.165 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 139 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y21 F36 G41 W42 | Y21-A29 HydrophobicContact CD1-CB 3.7Å; Y21-A29 PolarHBondContact O-N 3.49Å; A29-F36 HydrophobicContact CB-CD1 4.38Å; A29-F36 HydrophobicContact CB-CE1 3.85Å; A29-G41 CarbonylContact O-C 3.49Å; A29-G41 WeakPolarHBondContact O-CA 3.22Å; A29-W42 PolarHBondContact O-N 3.31Å |
| 30 | G | 83.6 | Confident | 80.8 | Confident | 14 Ų | 14 | 78.3 Ų | 78.3 | 14% | 0.144 | 45% | 0.447 | C | S | . | . | trans | -79.5 | -173.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N35 | G30-N35 WeakPolarHBondContact CA-O 3.26Å; G30-N35 PolarHBondContact N-O 3.45Å | ||
| 31 | Q | 81.4 | Confident | 80.9 | Confident | 147 Ų | 147 | 76.9 Ų | 76.9 | 69% | 0.687 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -69.5 | -38.2 | -175.5 | -173.4 | 174.3 | 15.1 | 0 | 0 | 112.7 | W42 | Q31-W42 HydrophobicContact CB-CB 4.13Å; Q31-W42 HydrophobicContact CB-CD2 4.14Å; Q31-W42 HydrophobicContact CB-CG 3.7Å; Q31-W42 HydrophobicContact CG-CD2 4.19Å; Q31-W42 HydrophobicContact CG-CG 4.18Å; Q31-W42 HydrophobicContact CG-CZ2 4.43Å; Q31-W42 VanDerWaalsContact N-CB 3.31Å |
| 32 | S | 81.2 | Confident | 80.9 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 55% | 0.545 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -90.5 | 141.8 | 175.3 | -51.4 | 0 | 0 | 0 | 0 | 110 | G34 N35 | S32-G34 PolarHBondContact O-N 3.28Å; S32-N35 WeakPolarHBondContact O-CB 3.27Å; S32-N35 PolarHBondContact O-N 3.14Å; S32-N35 VanDerWaalsContact O-N 3.1Å |
| 33 | E | 77.4 | Confident | 80.8 | Confident | 202 Ų | 202 | 76.9 Ų | 76.9 | 94% | 0.944 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 132.7 | 173.7 | -69.1 | -172.7 | 162.1 | 0 | 0 | 110.8 | N35 | E33-N35 VanDerWaalsContact C-N 3.3Å; E33-N35 PolarHBondContact O-N 3.34Å |
| 34 | G | 77.2 | Confident | 80.5 | Confident | 59 Ų | 59 | 77.4 Ų | 77.4 | 61% | 0.608 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -6.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | S32 F36 | S32-G34 PolarHBondContact O-N 3.28Å; G34-F36 WeakPolarHBondContact O-CD2 3.33Å; G34-F36 WeakPolarHBondContact O-CE2 3.37Å; G34-F36 PolarHBondContact O-N 2.97Å |
| 35 | N | 82.1 | Confident | 80.2 | Confident | 67 Ų | 67 | 78.7 Ų | 78.7 | 36% | 0.358 | 44% | 0.44 | S | S | . | . | trans | -82.1 | 113.9 | 176.1 | -172.1 | -14.4 | 0 | 0 | 0 | 110.7 | G30 S32 E33 S37 | G30-N35 WeakPolarHBondContact CA-O 3.26Å; G30-N35 PolarHBondContact N-O 3.45Å; S32-N35 WeakPolarHBondContact O-CB 3.27Å; S32-N35 PolarHBondContact O-N 3.14Å; S32-N35 VanDerWaalsContact O-N 3.1Å; E33-N35 VanDerWaalsContact C-N 3.3Å; E33-N35 PolarHBondContact O-N 3.34Å; N35-S37 WeakPolarHBondContact OD1-CB 3.37Å; N35-S37 PolarHBondContact OD1-N 3.4Å; N35-S37 VanDerWaalsContact OD1-N 3.12Å; N35-S37 PolarHBondContact OD1-OG 3.46Å | ||
| 36 | F | 82.1 | Confident | 79.8 | Confident | 45 Ų | 45 | 82.5 Ų | 82.5 | 20% | 0.197 | 44% | 0.444 | C | S | . | . | trans | -124.1 | 22.6 | 177.2 | -54.1 | -71.9 | 0 | 0 | 0 | 112.4 | H23 R27 A29 G34 | H23-F36 HydrophobicContact CB-CD1 3.8Å; H23-F36 HydrophobicContact CB-CE1 3.35Å; H23-F36 HydrophobicContact CB-CZ 3.78Å; H23-F36 AromaticContact CD2-CE1 3.95Å; H23-F36 AromaticContact CD2-CE2 3.99Å; H23-F36 AromaticContact CD2-CZ 3.41Å; H23-F36 VanDerWaalsContact CD2-CZ 3.41Å; H23-F36 WeakPolarHBondContact CD2-CZ 3.37Å; H23-F36 AromaticContact CG-CE1 3.69Å; H23-F36 AromaticContact CG-CZ 3.53Å; R27-F36 HydrophobicContact CB-CB 4.01Å; R27-F36 WeakPolarHBondContact CD-O 3.26Å; A29-F36 HydrophobicContact CB-CD1 4.38Å; A29-F36 HydrophobicContact CB-CE1 3.85Å; G34-F36 WeakPolarHBondContact O-CD2 3.33Å; G34-F36 WeakPolarHBondContact O-CE2 3.37Å; G34-F36 PolarHBondContact O-N 2.97Å | ||
| 37 | S | 79.9 | Confident | 79.2 | Confident | 101 Ų | 101 | 83.9 Ų | 83.9 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | trans | -75.1 | -32.9 | -174.1 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | N35 P39 | N35-S37 WeakPolarHBondContact OD1-CB 3.37Å; N35-S37 PolarHBondContact OD1-N 3.4Å; N35-S37 VanDerWaalsContact OD1-N 3.12Å; N35-S37 PolarHBondContact OD1-OG 3.46Å; S37-P39 WeakPolarHBondContact O-CD 3.44Å | ||
| 38 | N | 78.3 | Confident | 78.5 | Confident | 79 Ų | 79 | 77.5 Ų | 77.5 | 42% | 0.422 | 42% | 0.42 | S | S | . | . | trans | -88.1 | 117.4 | -179.4 | -172 | -1.7 | 0 | 0 | 0 | 110.7 | S40 G41 | N38-S40 VanDerWaalsContact CG-OG 3.31Å; N38-S40 PolarHBondContact ND2-OG 3.42Å; N38-S40 VanDerWaalsContact ND2-OG 3.12Å; N38-S40 PolarHBondContact O-N 3.28Å; N38-S40 PolarHBondContact OD1-N 3.25Å; N38-S40 VanDerWaalsContact OD1-N 3.15Å; N38-S40 PolarHBondContact OD1-OG 3.35Å; N38-G41 PolarHBondContact O-N 3.09Å | ||
| 39 | P | 77.7 | Confident | 77.7 | Confident | 113 Ų | 113 | 80.1 Ų | 80.1 | 73% | 0.734 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.3 | 178.8 | 23.3 | -32.5 | 0 | 0 | 0 | 113.3 | W28 S37 | W28-P39 VanDerWaalsContact CD1-O 3.27Å; S37-P39 WeakPolarHBondContact O-CD 3.44Å |
| 40 | S | 78 | Confident | 76.6 | Confident | 70 Ų | 70 | 81.9 Ų | 81.9 | 49% | 0.49 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -11.9 | 175 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | K20 N38 | K20-S40 WeakPolarHBondContact CE-O 3.1Å; K20-S40 PolarHBondContact NZ-O 2.77Å; N38-S40 VanDerWaalsContact CG-OG 3.31Å; N38-S40 PolarHBondContact ND2-OG 3.42Å; N38-S40 VanDerWaalsContact ND2-OG 3.12Å; N38-S40 PolarHBondContact O-N 3.28Å; N38-S40 PolarHBondContact OD1-N 3.25Å; N38-S40 VanDerWaalsContact OD1-N 3.15Å; N38-S40 PolarHBondContact OD1-OG 3.35Å |
| 41 | G | 80.4 | Confident | 75.7 | Confident | 13 Ų | 13 | 82.4 Ų | 82.4 | 13% | 0.134 | 44% | 0.442 | C | S | . | . | trans | 61.2 | -169.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A29 N38 | A29-G41 CarbonylContact O-C 3.49Å; A29-G41 WeakPolarHBondContact O-CA 3.22Å; N38-G41 PolarHBondContact O-N 3.09Å | ||
| 42 | W | 80.5 | Confident | 75.2 | Confident | 107 Ų | 107 | 79.2 Ų | 79.2 | 41% | 0.405 | 43% | 0.43 | S | S | . | . | trans | -117.2 | 147.9 | 173.2 | 179.2 | 87 | 0 | 0 | 0 | 110 | A29 Q31 N44 | A29-W42 PolarHBondContact O-N 3.31Å; Q31-W42 HydrophobicContact CB-CB 4.13Å; Q31-W42 HydrophobicContact CB-CD2 4.14Å; Q31-W42 HydrophobicContact CB-CG 3.7Å; Q31-W42 HydrophobicContact CG-CD2 4.19Å; Q31-W42 HydrophobicContact CG-CG 4.18Å; Q31-W42 HydrophobicContact CG-CZ2 4.43Å; Q31-W42 VanDerWaalsContact N-CB 3.31Å; W42-N44 HydrophobicContact CH2-CB 3.41Å; W42-N44 VanDerWaalsContact CH2-CB 3.41Å; W42-N44 HydrophobicContact CZ2-CB 4Å; W42-N44 HydrophobicContact CZ3-CB 3.83Å | ||
| 43 | T | 80.3 | Confident | 74.7 | Confident | 20 Ų | 20 | 82 Ų | 82 | 12% | 0.123 | 43% | 0.428 | C | S | . | . | trans | -140.8 | 128.1 | -177.9 | -59.4 | 0 | 0 | 0 | 0 | 108.8 | V18 K20 Y45 | V18-T43 HydrophobicContact CB-CG2 4.47Å; V18-T43 HydrophobicContact CG1-CG2 2.96Å; K20-T43 WeakPolarHBondContact CD-OG1 3.45Å; K20-T43 WeakPolarHBondContact CG-OG1 3.49Å; T43-Y45 HydrophobicContact CG2-CD1 4.43Å; T43-Y45 HydrophobicContact CG2-CD2 4.23Å; T43-Y45 HydrophobicContact CG2-CE1 3.98Å; T43-Y45 HydrophobicContact CG2-CE2 3.78Å; T43-Y45 WeakPolarHBondContact O-CD2 3.46Å; T43-Y45 PolarHBondContact O-N 3.08Å | ||
| 44 | N | 74.9 | Confident | 74.6 | Confident | 67 Ų | 67 | 79.9 Ų | 79.9 | 36% | 0.358 | 42% | 0.418 | S | S | . | . | trans | -81.3 | 100.6 | 177.2 | -164 | -14.9 | 0 | 0 | 0 | 111.2 | W42 Y46 | W42-N44 HydrophobicContact CH2-CB 3.41Å; W42-N44 VanDerWaalsContact CH2-CB 3.41Å; W42-N44 HydrophobicContact CZ2-CB 4Å; W42-N44 HydrophobicContact CZ3-CB 3.83Å; N44-Y46 VanDerWaalsContact C-N 3.32Å; N44-Y46 WeakPolarHBondContact OD1-CB 3.08Å; N44-Y46 PolarHBondContact OD1-N 3.3Å | ||
| 45 | Y | 75.9 | Confident | 74.7 | Confident | 129 Ų | 129 | 81.5 Ų | 81.5 | 51% | 0.506 | 41% | 0.408 | S | S | . | . | trans | -86.4 | 2.1 | 175.1 | -66.1 | -76.9 | 0 | 0 | 0 | 113.8 | V18 T43 N47 C48 M49 | V18-Y45 HydrophobicContact CG1-CD1 4.05Å; V18-Y45 HydrophobicContact CG1-CE1 3.93Å; V18-Y45 HydrophobicContact CG2-CD1 3.84Å; V18-Y45 HydrophobicContact CG2-CE1 4.19Å; T43-Y45 HydrophobicContact CG2-CD1 4.43Å; T43-Y45 HydrophobicContact CG2-CD2 4.23Å; T43-Y45 HydrophobicContact CG2-CE1 3.98Å; T43-Y45 HydrophobicContact CG2-CE2 3.78Å; T43-Y45 WeakPolarHBondContact O-CD2 3.46Å; T43-Y45 PolarHBondContact O-N 3.08Å; Y45-N47 PolarHBondContact O-N 2.75Å; Y45-C48 WeakPolarHBondContact O-CA 2.92Å; Y45-C48 WeakPolarHBondContact O-CB 3.33Å; Y45-C48 PolarHBondContact O-N 3.03Å; Y45-M49 PolarHBondContact O-N 3.42Å; Y45-M49 VanDerWaalsContact O-N 3.14Å | ||
| 46 | Y | 72.7 | Confident | 74.2 | Confident | 153 Ų | 153 | 79 Ų | 79 | 60% | 0.6 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -55.1 | -39.4 | -176.9 | -174.1 | -98 | 0 | 0 | 0 | 112.2 | N44 C48 M49 L50 | N44-Y46 VanDerWaalsContact C-N 3.32Å; N44-Y46 WeakPolarHBondContact OD1-CB 3.08Å; N44-Y46 PolarHBondContact OD1-N 3.3Å; Y46-C48 VanDerWaalsContact C-N 3.28Å; Y46-C48 PolarHBondContact O-N 3.04Å; Y46-M49 CarbonylContact O-C 3.56Å; Y46-M49 WeakPolarHBondContact O-CA 3.49Å; Y46-M49 PolarHBondContact O-N 2.9Å; Y46-L50 HydrophobicContact CD1-CD2 4.25Å; Y46-L50 HydrophobicContact CE1-CD2 3.78Å; Y46-L50 PolarHBondContact O-N 2.98Å |
| 47 | N | 68.3 | Low | 74.1 | Confident | 70 Ų | 70 | 81.6 Ų | 81.6 | 37% | 0.374 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -63.8 | -28.9 | 176.6 | -76.4 | -13.3 | 0 | 0 | 0 | 113.7 | Y45 M49 L50 | Y45-N47 PolarHBondContact O-N 2.75Å; N47-M49 VanDerWaalsContact C-N 3.31Å; N47-L50 HydrophobicContact CB-CD1 4.45Å; N47-L50 WeakPolarHBondContact O-CD1 3.42Å |
| 48 | C | 69.3 | Low | 74.2 | Confident | 14 Ų | 14 | 79.4 Ų | 79.4 | 10% | 0.095 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -76.5 | -23.7 | 170.3 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | C10 I14 V18 Y45 Y46 L50 | C10-C48 HydrophobicContact CB-CB 3.65Å; C10-C48 WeakPolarHBondContact CB-SG 3.42Å; C10-C48 WeakPolarHBondContact SG-CA 3.47Å; C10-C48 WeakPolarHBondContact SG-CB 3.14Å; C10-C48 CovalentContact SG-SG 2.01Å; C10-C48 PolarHBondContact SG-SG 3.03Å; I14-C48 HydrophobicContact CG2-CB 4.32Å; I14-C48 WeakPolarHBondContact CG2-O 3.22Å; V18-C48 WeakPolarHBondContact CG2-SG 3.32Å; Y45-C48 WeakPolarHBondContact O-CA 2.92Å; Y45-C48 WeakPolarHBondContact O-CB 3.33Å; Y45-C48 PolarHBondContact O-N 3.03Å; Y46-C48 VanDerWaalsContact C-N 3.28Å; Y46-C48 PolarHBondContact O-N 3.04Å; C48-L50 VanDerWaalsContact C-N 3.3Å; C48-L50 PolarHBondContact O-N 3.41Å |
| 49 | M | 66 | Low | 74.4 | Confident | 115 Ų | 115 | 76.3 Ų | 76.3 | 57% | 0.567 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -91.5 | 11.7 | -175.8 | -64 | 179.4 | 179.4 | 0 | 0 | 113.3 | Y45 Y46 N47 I51 W53 | Y45-M49 PolarHBondContact O-N 3.42Å; Y45-M49 VanDerWaalsContact O-N 3.14Å; Y46-M49 CarbonylContact O-C 3.56Å; Y46-M49 WeakPolarHBondContact O-CA 3.49Å; Y46-M49 PolarHBondContact O-N 2.9Å; N47-M49 VanDerWaalsContact C-N 3.31Å; M49-I51 PolarHBondContact O-N 2.99Å; M49-I51 VanDerWaalsContact O-N 3.14Å; M49-W53 HydrophobicContact CB-CZ2 4.06Å; M49-W53 VanDerWaalsContact O-CZ2 3.3Å; M49-W53 WeakPolarHBondContact O-CZ2 3.23Å; M49-W53 PolarHBondContact O-NE1 2.94Å |
| 50 | L | 62 | Low | 74.4 | Confident | 57 Ų | 57 | 72.5 Ų | 72.5 | 30% | 0.298 | 36% | 0.356 | S | S | . | . | trans | -74.1 | 8.9 | -177 | -73.4 | 173.3 | 0 | 0 | 0 | 115.2 | Y46 N47 C48 D52 K315 | Y46-L50 HydrophobicContact CD1-CD2 4.25Å; Y46-L50 HydrophobicContact CE1-CD2 3.78Å; Y46-L50 PolarHBondContact O-N 2.98Å; N47-L50 HydrophobicContact CB-CD1 4.45Å; N47-L50 WeakPolarHBondContact O-CD1 3.42Å; C48-L50 VanDerWaalsContact C-N 3.3Å; C48-L50 PolarHBondContact O-N 3.41Å; L50-D52 PolarHBondContact O-N 3.4Å; L50-K315 HydrophobicContact CB-CD 4.25Å | ||
| 51 | I | 64.9 | Low | 74.6 | Confident | 25 Ų | 25 | 75.7 Ų | 75.7 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -72.9 | 126.8 | 166.6 | -60.8 | 172.3 | 0 | 0 | 0 | 106.1 | M49 W53 | M49-I51 PolarHBondContact O-N 2.99Å; M49-I51 VanDerWaalsContact O-N 3.14Å; I51-W53 HydrophobicContact CB-CD2 3.96Å; I51-W53 HydrophobicContact CB-CE3 3.54Å; I51-W53 HydrophobicContact CB-CH2 3.53Å; I51-W53 HydrophobicContact CB-CZ2 3.92Å; I51-W53 HydrophobicContact CB-CZ3 3.33Å; I51-W53 HydrophobicContact CD1-CE3 4.47Å; I51-W53 HydrophobicContact CD1-CH2 3.68Å; I51-W53 HydrophobicContact CD1-CZ3 3.5Å; I51-W53 HydrophobicContact CG1-CH2 3.9Å; I51-W53 HydrophobicContact CG1-CZ3 3.89Å; I51-W53 HydrophobicContact CG2-CD2 4.12Å; I51-W53 HydrophobicContact CG2-CE3 3.47Å; I51-W53 VanDerWaalsContact CG2-CE3 3.47Å; I51-W53 HydrophobicContact CG2-CH2 4.33Å; I51-W53 HydrophobicContact CG2-CZ3 3.61Å; I51-W53 VanDerWaalsContact O-CD1 3.22Å; I51-W53 VanDerWaalsContact O-CG 3.28Å; I51-W53 PolarHBondContact O-N 2.84Å; I51-W53 PolarHBondContact O-NE1 3.37Å; I51-W53 VanDerWaalsContact O-NE1 3.08Å |
| 52 | D | 69.9 | Low | 74.9 | Confident | 80 Ų | 80 | 76 Ų | 76 | 43% | 0.428 | 36% | 0.36 | S | S | . | . | trans | -73.3 | 79.3 | 175.8 | -171.4 | -13.4 | 0 | 0 | 0 | 109.1 | L50 E54 K55 A56 I318 | L50-D52 PolarHBondContact O-N 3.4Å; D52-E54 PolarHBondContact O-N 3.04Å; D52-K55 HydrophobicContact CB-CB 3.99Å; D52-K55 PolarHBondContact O-N 3.09Å; D52-K55 VanDerWaalsContact O-N 3.15Å; D52-K55 WeakPolarHBondContact OD1-CB 3.27Å; D52-K55 PolarHBondContact OD1-N 3.07Å; D52-K55 WeakPolarHBondContact OD2-CB 3.4Å; D52-A56 PolarHBondContact O-N 2.74Å; D52-I318 HydrophobicContact CB-CD1 4.22Å | ||
| 53 | W | 69.9 | Low | 75.1 | Confident | 135 Ų | 135 | 71 Ų | 71 | 51% | 0.511 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.9 | -32 | -177.7 | -29.8 | 101.5 | 0 | 0 | 0 | 111.4 | M49 I51 A56 Q57 | M49-W53 HydrophobicContact CB-CZ2 4.06Å; M49-W53 VanDerWaalsContact O-CZ2 3.3Å; M49-W53 WeakPolarHBondContact O-CZ2 3.23Å; M49-W53 PolarHBondContact O-NE1 2.94Å; I51-W53 HydrophobicContact CB-CD2 3.96Å; I51-W53 HydrophobicContact CB-CE3 3.54Å; I51-W53 HydrophobicContact CB-CH2 3.53Å; I51-W53 HydrophobicContact CB-CZ2 3.92Å; I51-W53 HydrophobicContact CB-CZ3 3.33Å; I51-W53 HydrophobicContact CD1-CE3 4.47Å; I51-W53 HydrophobicContact CD1-CH2 3.68Å; I51-W53 HydrophobicContact CD1-CZ3 3.5Å; I51-W53 HydrophobicContact CG1-CH2 3.9Å; I51-W53 HydrophobicContact CG1-CZ3 3.89Å; I51-W53 HydrophobicContact CG2-CD2 4.12Å; I51-W53 HydrophobicContact CG2-CE3 3.47Å; I51-W53 VanDerWaalsContact CG2-CE3 3.47Å; I51-W53 HydrophobicContact CG2-CH2 4.33Å; I51-W53 HydrophobicContact CG2-CZ3 3.61Å; I51-W53 VanDerWaalsContact O-CD1 3.22Å; I51-W53 VanDerWaalsContact O-CG 3.28Å; I51-W53 PolarHBondContact O-N 2.84Å; I51-W53 PolarHBondContact O-NE1 3.37Å; I51-W53 VanDerWaalsContact O-NE1 3.08Å; W53-A56 PolarHBondContact O-N 3.33Å; W53-Q57 WeakPolarHBondContact O-CB 3.38Å; W53-Q57 PolarHBondContact O-N 3.04Å |
| 54 | E | 76.6 | Confident | 75.3 | Confident | 158 Ų | 158 | 75.8 Ų | 75.8 | 74% | 0.738 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.8 | -47.1 | 177.1 | -173.6 | 175.8 | 179.4 | 0 | 0 | 110.1 | D52 Q57 S58 | D52-E54 PolarHBondContact O-N 3.04Å; E54-Q57 PolarHBondContact O-N 3.31Å; E54-S58 WeakPolarHBondContact O-CB 3.29Å; E54-S58 PolarHBondContact O-N 2.99Å |
| 55 | K | 78.2 | Confident | 75.8 | Confident | 93 Ų | 93 | 79.3 Ų | 79.3 | 40% | 0.404 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.4 | -40.9 | 174.8 | -171.8 | 169.9 | -179.6 | 177.6 | 0 | 113 | D52 Q57 S58 I59 I318 | D52-K55 HydrophobicContact CB-CB 3.99Å; D52-K55 PolarHBondContact O-N 3.09Å; D52-K55 VanDerWaalsContact O-N 3.15Å; D52-K55 WeakPolarHBondContact OD1-CB 3.27Å; D52-K55 PolarHBondContact OD1-N 3.07Å; D52-K55 WeakPolarHBondContact OD2-CB 3.4Å; K55-Q57 VanDerWaalsContact C-N 3.32Å; K55-Q57 PolarHBondContact O-N 2.97Å; K55-S58 WeakPolarHBondContact CA-OG 3.2Å; K55-S58 PolarHBondContact O-N 3.39Å; K55-S58 PolarHBondContact O-OG 3.44Å; K55-I59 HydrophobicContact CG-CD1 4.07Å; K55-I59 WeakPolarHBondContact O-CB 3.37Å; K55-I59 WeakPolarHBondContact O-CD1 3.39Å; K55-I59 WeakPolarHBondContact O-CG1 3.24Å; K55-I59 PolarHBondContact O-N 2.94Å; K55-I318 HydrophobicContact CB-CD1 4.1Å; K55-I318 HydrophobicContact CD-CD1 3.88Å; K55-I318 HydrophobicContact CG-CD1 3.96Å |
| 56 | A | 73.1 | Confident | 76.4 | Confident | 16 Ų | 16 | 75.7 Ų | 75.7 | 13% | 0.132 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62 | -42 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D52 W53 I59 A60 | D52-A56 PolarHBondContact O-N 2.74Å; W53-A56 PolarHBondContact O-N 3.33Å; A56-I59 PolarHBondContact O-N 2.99Å; A56-A60 WeakPolarHBondContact O-CB 3.45Å; A56-A60 PolarHBondContact O-N 3.34Å |
| 57 | Q | 78.7 | Confident | 77.2 | Confident | 98 Ų | 98 | 69.5 Ų | 69.5 | 46% | 0.458 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.1 | -37.3 | 177.1 | -171.3 | 71.8 | -22.8 | 0 | 0 | 111.8 | W53 E54 K55 A60 R61 | W53-Q57 WeakPolarHBondContact O-CB 3.38Å; W53-Q57 PolarHBondContact O-N 3.04Å; E54-Q57 PolarHBondContact O-N 3.31Å; K55-Q57 VanDerWaalsContact C-N 3.32Å; K55-Q57 PolarHBondContact O-N 2.97Å; Q57-A60 PolarHBondContact O-N 3.15Å; Q57-R61 WeakPolarHBondContact O-CB 3.36Å; Q57-R61 VanDerWaalsContact O-CG 3.29Å; Q57-R61 WeakPolarHBondContact O-CG 3.49Å; Q57-R61 PolarHBondContact O-N 2.79Å |
| 58 | S | 83.1 | Confident | 78.2 | Confident | 56 Ų | 56 | 69.8 Ų | 69.8 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 175.3 | 75.6 | 0 | 0 | 0 | 0 | 111.6 | E54 K55 R61 G62 | E54-S58 WeakPolarHBondContact O-CB 3.29Å; E54-S58 PolarHBondContact O-N 2.99Å; K55-S58 WeakPolarHBondContact CA-OG 3.2Å; K55-S58 PolarHBondContact O-N 3.39Å; K55-S58 PolarHBondContact O-OG 3.44Å; S58-R61 PolarHBondContact O-N 3.34Å; S58-G62 PolarHBondContact O-N 3.06Å |
| 59 | I | 81.8 | Confident | 79.3 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 7% | 0.072 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 172.8 | -68.9 | 159.9 | 0 | 0 | 0 | 110 | K55 A56 R61 G62 A63 I318 F321 A322 Y326 | K55-I59 HydrophobicContact CG-CD1 4.07Å; K55-I59 WeakPolarHBondContact O-CB 3.37Å; K55-I59 WeakPolarHBondContact O-CD1 3.39Å; K55-I59 WeakPolarHBondContact O-CG1 3.24Å; K55-I59 PolarHBondContact O-N 2.94Å; A56-I59 PolarHBondContact O-N 2.99Å; I59-R61 PolarHBondContact O-N 2.96Å; I59-G62 PolarHBondContact O-N 3.43Å; I59-A63 WeakPolarHBondContact O-CB 3.44Å; I59-A63 PolarHBondContact O-N 2.88Å; I59-I318 HydrophobicContact CD1-CG1 4.26Å; I59-F321 HydrophobicContact CG2-CD1 4.42Å; I59-F321 HydrophobicContact CG2-CE1 4.13Å; I59-A322 HydrophobicContact CD1-CB 3.8Å; I59-A322 HydrophobicContact CG1-CB 4.23Å; I59-A322 HydrophobicContact CG2-CB 4.15Å; I59-Y326 HydrophobicContact CG2-CE2 3.97Å |
| 60 | A | 77.3 | Confident | 80.6 | Confident | 33 Ų | 33 | 67.9 Ų | 67.9 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A56 Q57 R64 | A56-A60 WeakPolarHBondContact O-CB 3.45Å; A56-A60 PolarHBondContact O-N 3.34Å; Q57-A60 PolarHBondContact O-N 3.15Å; A60-R64 WeakPolarHBondContact O-CB 3.48Å; A60-R64 PolarHBondContact O-N 3.44Å |
| 61 | R | 83.8 | Confident | 82 | Confident | 137 Ų | 137 | 65.3 Ų | 65.3 | 52% | 0.517 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.9 | -45 | 173.4 | -72.8 | -178.9 | -152.2 | 132.1 | -0.7 | 111.7 | Q57 S58 I59 R64 Q65 | Q57-R61 WeakPolarHBondContact O-CB 3.36Å; Q57-R61 VanDerWaalsContact O-CG 3.29Å; Q57-R61 WeakPolarHBondContact O-CG 3.49Å; Q57-R61 PolarHBondContact O-N 2.79Å; S58-R61 PolarHBondContact O-N 3.34Å; I59-R61 PolarHBondContact O-N 2.96Å; R61-R64 PolarHBondContact O-N 2.79Å; R61-Q65 PolarHBondContact O-N 3.14Å |
| 62 | G | 85.2 | Confident | 83.4 | Confident | 18 Ų | 18 | 65.8 Ų | 65.8 | 19% | 0.186 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | S58 I59 Q65 L66 | S58-G62 PolarHBondContact O-N 3.06Å; I59-G62 PolarHBondContact O-N 3.43Å; G62-Q65 PolarHBondContact O-N 2.81Å; G62-L66 PolarHBondContact O-N 3.25Å; G62-L66 VanDerWaalsContact O-N 3.1Å |
| 63 | A | 84.9 | Confident | 84.5 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.9 | -50.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | I59 Q65 L66 E67 T325 Y326 | I59-A63 WeakPolarHBondContact O-CB 3.44Å; I59-A63 PolarHBondContact O-N 2.88Å; A63-Q65 VanDerWaalsContact C-N 3.29Å; A63-Q65 PolarHBondContact O-N 2.87Å; A63-L66 WeakPolarHBondContact O-CA 3.22Å; A63-L66 WeakPolarHBondContact O-CB 3.14Å; A63-L66 PolarHBondContact O-N 3.47Å; A63-E67 VanDerWaalsContact O-CG 3.24Å; A63-E67 WeakPolarHBondContact O-CG 3.45Å; A63-E67 PolarHBondContact O-N 3.5Å; A63-T325 HydrophobicContact CB-CG2 3.99Å; A63-Y326 HydrophobicContact CB-CD1 4.47Å; A63-Y326 HydrophobicContact CB-CE1 4.25Å |
| 64 | R | 85 | Confident | 85.7 | Confident | 119 Ų | 119 | 58.8 Ų | 58.8 | 45% | 0.449 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.6 | -38.5 | 178.3 | -169.6 | -178.9 | -60.4 | 157.4 | 1.9 | 113.6 | A60 R61 E67 F68 | A60-R64 WeakPolarHBondContact O-CB 3.48Å; A60-R64 PolarHBondContact O-N 3.44Å; R61-R64 PolarHBondContact O-N 2.79Å; R64-E67 PolarHBondContact O-N 3.26Å; R64-F68 PolarHBondContact O-N 3.31Å |
| 65 | Q | 86.2 | Confident | 86.6 | Confident | 142 Ų | 142 | 54 Ų | 54 | 66% | 0.664 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -65.1 | -45.4 | 174.6 | -73.7 | -179.9 | -21.7 | 0 | 0 | 112 | R61 G62 A63 E67 F68 V69 | R61-Q65 PolarHBondContact O-N 3.14Å; G62-Q65 PolarHBondContact O-N 2.81Å; A63-Q65 VanDerWaalsContact C-N 3.29Å; A63-Q65 PolarHBondContact O-N 2.87Å; Q65-E67 VanDerWaalsContact C-N 3.27Å; Q65-E67 PolarHBondContact O-N 3.28Å; Q65-F68 PolarHBondContact O-N 3.5Å; Q65-V69 WeakPolarHBondContact O-CG2 3.31Å; Q65-V69 PolarHBondContact O-N 3.44Å; Q65-V69 VanDerWaalsContact O-N 3.15Å |
| 66 | L | 88.7 | Confident | 87.5 | Confident | 53 Ų | 53 | 53.8 Ų | 53.8 | 28% | 0.277 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 174.3 | 179.7 | 67.8 | 0 | 0 | 0 | 111.2 | G62 A63 V69 G70 Y326 F330 F334 | G62-L66 PolarHBondContact O-N 3.25Å; G62-L66 VanDerWaalsContact O-N 3.1Å; A63-L66 WeakPolarHBondContact O-CA 3.22Å; A63-L66 WeakPolarHBondContact O-CB 3.14Å; A63-L66 PolarHBondContact O-N 3.47Å; L66-V69 PolarHBondContact O-N 3.45Å; L66-G70 PolarHBondContact O-N 2.85Å; L66-Y326 HydrophobicContact CD2-CD1 4.03Å; L66-F330 HydrophobicContact CD2-CB 4.42Å; L66-F334 HydrophobicContact CD1-CE2 4.28Å |
| 67 | E | 89.3 | Confident | 88.5 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 10% | 0.103 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 177.6 | -65.3 | -175.8 | 168.2 | 0 | 0 | 112.1 | A63 R64 Q65 V69 G70 L71 R113 Y117 S329 M333 | A63-E67 VanDerWaalsContact O-CG 3.24Å; A63-E67 WeakPolarHBondContact O-CG 3.45Å; A63-E67 PolarHBondContact O-N 3.5Å; R64-E67 PolarHBondContact O-N 3.26Å; Q65-E67 VanDerWaalsContact C-N 3.27Å; Q65-E67 PolarHBondContact O-N 3.28Å; E67-V69 PolarHBondContact O-N 2.85Å; E67-G70 PolarHBondContact O-N 3.34Å; E67-L71 WeakPolarHBondContact O-CB 2.84Å; E67-L71 WeakPolarHBondContact O-CG 3.42Å; E67-L71 PolarHBondContact O-N 3.5Å; E67-R113 IonicContact OE1-NH2 3.6Å; E67-R113 IonicContact OE2-NH2 3.36Å; E67-R113 PolarHBondContact OE2-NH2 2.02Å; E67-Y117 HydrophobicContact CB-CE2 4Å; E67-Y117 PolarHBondContact OE2-OH 3Å; E67-S329 PolarHBondContact OE1-OG 3.27Å; E67-M333 HydrophobicContact CB-CE 3.88Å; E67-M333 HydrophobicContact CB-CG 3.88Å; E67-M333 HydrophobicContact CB-SD 3.64Å; E67-M333 HydrophobicContact CG-CE 3.32Å; E67-M333 HydrophobicContact CG-CG 3.71Å; E67-M333 HydrophobicContact CG-SD 3.73Å; E67-M333 VanDerWaalsContact OE1-CE 3.24Å; E67-M333 WeakPolarHBondContact OE1-CE 3.41Å |
| 68 | F | 89.6 | Confident | 89.3 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 33% | 0.333 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 177 | -174.2 | -92.4 | 0 | 0 | 0 | 111.9 | R64 Q65 L71 A72 L114 I118 | R64-F68 PolarHBondContact O-N 3.31Å; Q65-F68 PolarHBondContact O-N 3.5Å; F68-L71 PolarHBondContact O-N 3.01Å; F68-A72 WeakPolarHBondContact O-CB 3.22Å; F68-A72 PolarHBondContact O-N 3.48Å; F68-L114 HydrophobicContact CD2-CD1 3.91Å; F68-L114 HydrophobicContact CE2-CD1 3.56Å; F68-L114 HydrophobicContact CZ-CD1 4.18Å; F68-I118 HydrophobicContact CE2-CG1 4.13Å |
| 69 | V | 91.6 | Very high | 89.9 | Confident | 89 Ų | 89 | 50 Ų | 50 | 54% | 0.539 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 178.3 | 175.6 | 0 | 0 | 0 | 0 | 111.3 | Q65 L66 E67 A72 L73 | Q65-V69 WeakPolarHBondContact O-CG2 3.31Å; Q65-V69 PolarHBondContact O-N 3.44Å; Q65-V69 VanDerWaalsContact O-N 3.15Å; L66-V69 PolarHBondContact O-N 3.45Å; E67-V69 PolarHBondContact O-N 2.85Å; V69-A72 PolarHBondContact O-N 3.45Å; V69-L73 PolarHBondContact O-N 3.28Å |
| 70 | G | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L66 E67 L73 S74 M333 | L66-G70 PolarHBondContact O-N 2.85Å; E67-G70 PolarHBondContact O-N 3.34Å; G70-L73 PolarHBondContact O-N 2.7Å; G70-S74 WeakPolarHBondContact O-CB 3.24Å; G70-S74 PolarHBondContact O-N 2.87Å; G70-S74 PolarHBondContact O-OG 3.38Å; G70-M333 CarbonylContact C-O 3.59Å |
| 71 | L | 93 | Very high | 91.1 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 176.9 | -70.7 | 169.6 | 0 | 0 | 0 | 112.1 | E67 F68 S74 F75 V110 R113 Y117 M333 | E67-L71 WeakPolarHBondContact O-CB 2.84Å; E67-L71 WeakPolarHBondContact O-CG 3.42Å; E67-L71 PolarHBondContact O-N 3.5Å; F68-L71 PolarHBondContact O-N 3.01Å; L71-S74 PolarHBondContact O-N 3.41Å; L71-F75 WeakPolarHBondContact O-CB 3.45Å; L71-F75 PolarHBondContact O-N 2.91Å; L71-V110 HydrophobicContact CB-CG1 4.28Å; L71-V110 HydrophobicContact CD2-CB 4.38Å; L71-V110 HydrophobicContact CD2-CG1 4.14Å; L71-V110 HydrophobicContact CD2-CG2 3.95Å; L71-V110 WeakPolarHBondContact O-CG1 3.4Å; L71-R113 HydrophobicContact CD1-CB 4.36Å; L71-R113 HydrophobicContact CD1-CG 3.83Å; L71-Y117 HydrophobicContact CD1-CD2 4.12Å; L71-Y117 HydrophobicContact CD1-CE2 3.94Å; L71-M333 HydrophobicContact CD1-SD 3.89Å; L71-M333 HydrophobicContact CD2-SD 3.88Å; L71-M333 HydrophobicContact CG-SD 3.7Å |
| 72 | A | 93.6 | Very high | 91.6 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 29% | 0.289 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62 | -43.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F68 V69 F75 V76 | F68-A72 WeakPolarHBondContact O-CB 3.22Å; F68-A72 PolarHBondContact O-N 3.48Å; V69-A72 PolarHBondContact O-N 3.45Å; A72-F75 WeakPolarHBondContact O-CB 3.47Å; A72-F75 PolarHBondContact O-N 3.39Å; A72-V76 WeakPolarHBondContact O-CG2 3.27Å; A72-V76 PolarHBondContact O-N 2.78Å |
| 73 | L | 93.9 | Very high | 91.9 | Very high | 67 Ų | 67 | 46.9 Ų | 46.9 | 35% | 0.351 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.3 | -47.5 | 175.3 | -179.9 | 62.4 | 0 | 0 | 0 | 111.6 | V69 G70 F75 V76 C77 F334 F337 | V69-L73 PolarHBondContact O-N 3.28Å; G70-L73 PolarHBondContact O-N 2.7Å; L73-F75 VanDerWaalsContact C-N 3.3Å; L73-F75 PolarHBondContact O-N 3.08Å; L73-V76 PolarHBondContact O-N 2.84Å; L73-C77 PolarHBondContact O-N 3.16Å; L73-C77 VanDerWaalsContact O-N 3.08Å; L73-C77 PolarHBondContact O-SG 3.05Å; L73-F334 HydrophobicContact CD2-CD1 4.13Å; L73-F334 HydrophobicContact CD2-CE1 3.75Å; L73-F337 HydrophobicContact CD1-CD2 4.23Å; L73-F337 HydrophobicContact CD1-CE2 4.37Å; L73-F337 HydrophobicContact CD2-CD1 4.42Å; L73-F337 HydrophobicContact CD2-CD2 3.77Å; L73-F337 HydrophobicContact CD2-CE2 4Å; L73-F337 HydrophobicContact CD2-CG 4Å; L73-F337 HydrophobicContact CD2-CZ 4.41Å; L73-F337 HydrophobicContact CG-CB 4.5Å; L73-F337 HydrophobicContact CG-CD2 3.74Å; L73-F337 HydrophobicContact CG-CE2 4.23Å; L73-F337 HydrophobicContact CG-CG 4.21Å |
| 74 | S | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.2 | -42.4 | 176.1 | -74.7 | 0 | 0 | 0 | 0 | 111.8 | G70 L71 C77 L78 M333 F337 | G70-S74 WeakPolarHBondContact O-CB 3.24Å; G70-S74 PolarHBondContact O-N 2.87Å; G70-S74 PolarHBondContact O-OG 3.38Å; L71-S74 PolarHBondContact O-N 3.41Å; S74-C77 PolarHBondContact O-N 3.28Å; S74-L78 VanDerWaalsContact O-CB 3.31Å; S74-L78 WeakPolarHBondContact O-CB 3.39Å; S74-L78 WeakPolarHBondContact O-CD1 3.35Å; S74-L78 WeakPolarHBondContact O-CG 3.27Å; S74-L78 PolarHBondContact O-N 3.02Å; S74-M333 PolarHBondContact OG-O 2.73Å; S74-F337 PolarHBondContact OG-N 2.86Å |
| 75 | F | 95.9 | Very high | 92.3 | Very high | 59 Ų | 59 | 42.3 Ų | 42.3 | 26% | 0.259 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58 | -52.6 | 178.2 | -179.8 | -96.2 | 0 | 0 | 0 | 112.3 | L71 A72 L73 C77 L78 I79 L107 V110 T111 | L71-F75 WeakPolarHBondContact O-CB 3.45Å; L71-F75 PolarHBondContact O-N 2.91Å; A72-F75 WeakPolarHBondContact O-CB 3.47Å; A72-F75 PolarHBondContact O-N 3.39Å; L73-F75 VanDerWaalsContact C-N 3.3Å; L73-F75 PolarHBondContact O-N 3.08Å; F75-C77 PolarHBondContact O-N 2.97Å; F75-L78 PolarHBondContact O-N 3.19Å; F75-I79 HydrophobicContact CD1-CD1 3.83Å; F75-I79 HydrophobicContact CD2-CD1 4.32Å; F75-I79 HydrophobicContact CE1-CD1 3.32Å; F75-I79 HydrophobicContact CE2-CD1 3.86Å; F75-I79 HydrophobicContact CG-CD1 4.31Å; F75-I79 HydrophobicContact CZ-CD1 3.35Å; F75-I79 WeakPolarHBondContact O-CG1 3.3Å; F75-I79 PolarHBondContact O-N 2.82Å; F75-L107 HydrophobicContact CD2-CD1 3.54Å; F75-L107 HydrophobicContact CE2-CD1 3.84Å; F75-L107 HydrophobicContact CG-CD1 4.34Å; F75-V110 HydrophobicContact CB-CG1 3.86Å; F75-V110 HydrophobicContact CD2-CG1 4.34Å; F75-T111 HydrophobicContact CE2-CG2 4.35Å; F75-T111 WeakPolarHBondContact CE2-OG1 3.49Å |
| 76 | V | 95.6 | Very high | 92.5 | Very high | 88 Ų | 88 | 38 Ų | 38 | 53% | 0.533 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.3 | -43.5 | -179.4 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | A72 L73 T80 | A72-V76 WeakPolarHBondContact O-CG2 3.27Å; A72-V76 PolarHBondContact O-N 2.78Å; L73-V76 PolarHBondContact O-N 2.84Å; V76-T80 WeakPolarHBondContact O-CB 3.43Å; V76-T80 PolarHBondContact O-N 3.42Å; V76-T80 VanDerWaalsContact O-N 3.12Å; V76-T80 PolarHBondContact O-OG1 3.46Å |
| 77 | C | 94.3 | Very high | 92.4 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 179.8 | -71.9 | 0 | 0 | 0 | 0 | 112.6 | L73 S74 F75 T80 A81 F337 A340 F345 | L73-C77 PolarHBondContact O-N 3.16Å; L73-C77 VanDerWaalsContact O-N 3.08Å; L73-C77 PolarHBondContact O-SG 3.05Å; S74-C77 PolarHBondContact O-N 3.28Å; F75-C77 PolarHBondContact O-N 2.97Å; C77-T80 PolarHBondContact O-N 3.24Å; C77-A81 WeakPolarHBondContact O-CB 3.25Å; C77-A81 PolarHBondContact O-N 3.46Å; C77-F337 HydrophobicContact CB-CD2 4.26Å; C77-F337 VanDerWaalsContact SG-CD2 3.58Å; C77-A340 HydrophobicContact CB-CB 4.16Å; C77-F345 HydrophobicContact CB-CE2 4.1Å |
| 78 | L | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.9 | -44.5 | 178.8 | -73.5 | 168.1 | 0 | 0 | 0 | 112.1 | S74 F75 T80 A81 I82 F103 I106 L107 V110 A340 | S74-L78 VanDerWaalsContact O-CB 3.31Å; S74-L78 WeakPolarHBondContact O-CB 3.39Å; S74-L78 WeakPolarHBondContact O-CD1 3.35Å; S74-L78 WeakPolarHBondContact O-CG 3.27Å; S74-L78 PolarHBondContact O-N 3.02Å; F75-L78 PolarHBondContact O-N 3.19Å; L78-T80 VanDerWaalsContact C-N 3.3Å; L78-T80 PolarHBondContact O-N 3.33Å; L78-A81 PolarHBondContact O-N 2.93Å; L78-I82 WeakPolarHBondContact O-CB 3.44Å; L78-I82 WeakPolarHBondContact O-CD1 3.29Å; L78-I82 VanDerWaalsContact O-CG1 3.26Å; L78-I82 WeakPolarHBondContact O-CG1 2.89Å; L78-I82 PolarHBondContact O-N 2.95Å; L78-F103 HydrophobicContact CD2-CB 4.02Å; L78-F103 HydrophobicContact CD2-CD1 3.93Å; L78-F103 HydrophobicContact CD2-CG 4.13Å; L78-I106 HydrophobicContact CD1-CB 4.12Å; L78-I106 HydrophobicContact CD1-CG2 3.61Å; L78-L107 HydrophobicContact CB-CB 4.47Å; L78-L107 HydrophobicContact CB-CD1 4.27Å; L78-L107 HydrophobicContact CD1-CB 4.39Å; L78-V110 HydrophobicContact CD1-CG2 4.48Å; L78-A340 HydrophobicContact CD2-CB 4.41Å |
| 79 | I | 95.8 | Very high | 92 | Very high | 73 Ų | 73 | 46.8 Ų | 46.8 | 37% | 0.374 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 175.4 | -71.8 | 176.5 | 0 | 0 | 0 | 110.2 | F75 A81 I82 A83 L107 | F75-I79 HydrophobicContact CD1-CD1 3.83Å; F75-I79 HydrophobicContact CD2-CD1 4.32Å; F75-I79 HydrophobicContact CE1-CD1 3.32Å; F75-I79 HydrophobicContact CE2-CD1 3.86Å; F75-I79 HydrophobicContact CG-CD1 4.31Å; F75-I79 HydrophobicContact CZ-CD1 3.35Å; F75-I79 WeakPolarHBondContact O-CG1 3.3Å; F75-I79 PolarHBondContact O-N 2.82Å; I79-A81 PolarHBondContact O-N 3.36Å; I79-I82 PolarHBondContact O-N 3.44Å; I79-A83 WeakPolarHBondContact O-CB 3.38Å; I79-A83 PolarHBondContact O-N 2.87Å; I79-L107 HydrophobicContact CD1-CD1 4.38Å; I79-L107 HydrophobicContact CG1-CD1 3.87Å; I79-L107 HydrophobicContact CG1-CD2 3.95Å |
| 80 | T | 92.9 | Very high | 91.5 | Very high | 60 Ų | 60 | 50.7 Ų | 50.7 | 37% | 0.368 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 178.2 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | V76 C77 L78 A83 I84 F345 | V76-T80 WeakPolarHBondContact O-CB 3.43Å; V76-T80 PolarHBondContact O-N 3.42Å; V76-T80 VanDerWaalsContact O-N 3.12Å; V76-T80 PolarHBondContact O-OG1 3.46Å; C77-T80 PolarHBondContact O-N 3.24Å; L78-T80 VanDerWaalsContact C-N 3.3Å; L78-T80 PolarHBondContact O-N 3.33Å; T80-A83 PolarHBondContact O-N 3.28Å; T80-I84 HydrophobicContact CG2-CD1 4.05Å; T80-I84 VanDerWaalsContact O-CG1 3.28Å; T80-I84 WeakPolarHBondContact O-CG1 3.31Å; T80-I84 PolarHBondContact O-N 2.87Å; T80-F345 HydrophobicContact CG2-CE1 4.01Å; T80-F345 HydrophobicContact CG2-CZ 4.08Å |
| 81 | A | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C77 L78 I79 I84 F85 F103 A340 C344 | C77-A81 WeakPolarHBondContact O-CB 3.25Å; C77-A81 PolarHBondContact O-N 3.46Å; L78-A81 PolarHBondContact O-N 2.93Å; I79-A81 PolarHBondContact O-N 3.36Å; A81-I84 PolarHBondContact O-N 3.35Å; A81-F85 PolarHBondContact O-N 2.84Å; A81-F85 VanDerWaalsContact O-N 3.15Å; A81-F103 HydrophobicContact CB-CD2 4.06Å; A81-F103 HydrophobicContact CB-CE2 3.8Å; A81-F103 HydrophobicContact CB-CZ 4.46Å; A81-A340 HydrophobicContact CB-CB 4.24Å; A81-C344 HydrophobicContact CB-CB 3.75Å |
| 82 | I | 93.9 | Very high | 90.6 | Very high | 31 Ų | 31 | 56.4 Ų | 56.4 | 16% | 0.159 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 175.7 | -69.7 | 163.5 | 0 | 0 | 0 | 110.2 | L78 I79 I84 F85 A86 F103 I104 L107 | L78-I82 WeakPolarHBondContact O-CB 3.44Å; L78-I82 WeakPolarHBondContact O-CD1 3.29Å; L78-I82 VanDerWaalsContact O-CG1 3.26Å; L78-I82 WeakPolarHBondContact O-CG1 2.89Å; L78-I82 PolarHBondContact O-N 2.95Å; I79-I82 PolarHBondContact O-N 3.44Å; I82-I84 PolarHBondContact O-N 2.81Å; I82-F85 PolarHBondContact O-N 3.37Å; I82-A86 VanDerWaalsContact O-CB 3.29Å; I82-A86 WeakPolarHBondContact O-CB 3.24Å; I82-A86 PolarHBondContact O-N 2.9Å; I82-F103 HydrophobicContact CD1-CB 3.82Å; I82-F103 HydrophobicContact CG1-CB 3.57Å; I82-F103 HydrophobicContact CG1-CD2 4.11Å; I82-F103 HydrophobicContact CG1-CG 4.35Å; I82-I104 HydrophobicContact CD1-CG1 3.97Å; I82-I104 HydrophobicContact CG1-CG1 4.47Å; I82-L107 HydrophobicContact CD1-CB 4.36Å; I82-L107 HydrophobicContact CD1-CD2 3.7Å |
| 83 | A | 92.1 | Very high | 90.1 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I79 T80 F85 A86 S87 | I79-A83 WeakPolarHBondContact O-CB 3.38Å; I79-A83 PolarHBondContact O-N 2.87Å; T80-A83 PolarHBondContact O-N 3.28Å; A83-F85 PolarHBondContact O-N 3.21Å; A83-A86 PolarHBondContact O-N 3.06Å; A83-S87 WeakPolarHBondContact O-CB 3.3Å; A83-S87 PolarHBondContact O-N 3.17Å; A83-S87 PolarHBondContact O-OG 3.15Å |
| 84 | I | 89.5 | Confident | 89.8 | Confident | 26 Ų | 26 | 57.7 Ų | 57.7 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55.7 | -52.4 | 176.9 | -71.1 | 165.8 | 0 | 0 | 0 | 111.1 | T80 A81 I82 A86 S87 F88 L91 F345 V350 | T80-I84 HydrophobicContact CG2-CD1 4.05Å; T80-I84 VanDerWaalsContact O-CG1 3.28Å; T80-I84 WeakPolarHBondContact O-CG1 3.31Å; T80-I84 PolarHBondContact O-N 2.87Å; A81-I84 PolarHBondContact O-N 3.35Å; I82-I84 PolarHBondContact O-N 2.81Å; I84-A86 VanDerWaalsContact C-N 3.3Å; I84-A86 PolarHBondContact O-N 2.92Å; I84-S87 PolarHBondContact O-N 2.74Å; I84-F88 HydrophobicContact CG2-CD2 4.07Å; I84-F88 HydrophobicContact CG2-CE2 4.16Å; I84-F88 WeakPolarHBondContact O-CD2 3.28Å; I84-F88 PolarHBondContact O-N 2.86Å; I84-L91 HydrophobicContact CG2-CD1 4.21Å; I84-F345 HydrophobicContact CD1-CD1 4.41Å; I84-F345 HydrophobicContact CD1-CE1 3.92Å; I84-V350 HydrophobicContact CG2-CG1 3.77Å |
| 85 | F | 89.3 | Confident | 89.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.6 | -29.1 | -179.4 | -71.7 | -20.3 | 0 | 0 | 0 | 113.3 | A81 I82 A83 L91 H99 Q100 F103 C344 V350 | A81-F85 PolarHBondContact O-N 2.84Å; A81-F85 VanDerWaalsContact O-N 3.15Å; I82-F85 PolarHBondContact O-N 3.37Å; A83-F85 PolarHBondContact O-N 3.21Å; F85-L91 HydrophobicContact CD1-CB 4.22Å; F85-L91 HydrophobicContact CD1-CD1 3.92Å; F85-L91 HydrophobicContact CE1-CD1 4.31Å; F85-H99 HydrophobicContact CE2-CB 4.1Å; F85-Q100 VanDerWaalsContact C-NE2 3.29Å; F85-Q100 HydrophobicContact CB-CG 3.6Å; F85-Q100 VanDerWaalsContact CB-NE2 3.27Å; F85-Q100 HydrophobicContact CD2-CG 3.73Å; F85-Q100 HydrophobicContact CG-CG 4.16Å; F85-F103 HydrophobicContact CD2-CD2 4.31Å; F85-F103 AromaticContact CD2-CE2 3.75Å; F85-F103 HydrophobicContact CD2-CE2 3.75Å; F85-F103 HydrophobicContact CE2-CD2 4.42Å; F85-F103 AromaticContact CE2-CE2 3.47Å; F85-F103 HydrophobicContact CE2-CE2 3.47Å; F85-F103 VanDerWaalsContact CE2-CE2 3.47Å; F85-F103 HydrophobicContact CE2-CZ 4.09Å; F85-C344 HydrophobicContact CE2-CB 4.41Å; F85-C344 HydrophobicContact CZ-CB 4.06Å; F85-V350 HydrophobicContact CE1-CG2 3.92Å |
| 86 | A | 89.2 | Confident | 89 | Confident | 53 Ų | 53 | 59.7 Ų | 59.7 | 44% | 0.438 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -73.8 | -42.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I82 A83 I84 | I82-A86 VanDerWaalsContact O-CB 3.29Å; I82-A86 WeakPolarHBondContact O-CB 3.24Å; I82-A86 PolarHBondContact O-N 2.9Å; A83-A86 PolarHBondContact O-N 3.06Å; I84-A86 VanDerWaalsContact C-N 3.3Å; I84-A86 PolarHBondContact O-N 2.92Å |
| 87 | S | 87.6 | Confident | 88.7 | Confident | 90 Ų | 90 | 57.7 Ų | 57.7 | 63% | 0.629 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -67.3 | -39 | -176.6 | -62.9 | 0 | 0 | 0 | 0 | 113 | A83 I84 | A83-S87 WeakPolarHBondContact O-CB 3.3Å; A83-S87 PolarHBondContact O-N 3.17Å; A83-S87 PolarHBondContact O-OG 3.15Å; I84-S87 PolarHBondContact O-N 2.74Å |
| 88 | F | 85.6 | Confident | 88.5 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 18% | 0.18 | 28% | 0.281 | C | S | . | . | trans | -94.5 | 108 | -174.4 | -61 | -61.1 | 0 | 0 | 0 | 112.5 | I84 R90 L91 I353 S357 | I84-F88 HydrophobicContact CG2-CD2 4.07Å; I84-F88 HydrophobicContact CG2-CE2 4.16Å; I84-F88 WeakPolarHBondContact O-CD2 3.28Å; I84-F88 PolarHBondContact O-N 2.86Å; F88-R90 PolarHBondContact O-N 3.11Å; F88-R90 VanDerWaalsContact O-N 3.15Å; F88-L91 HydrophobicContact CB-CB 4.2Å; F88-L91 HydrophobicContact CB-CD1 3.84Å; F88-L91 HydrophobicContact CB-CG 3.98Å; F88-L91 HydrophobicContact CD2-CD1 3.87Å; F88-L91 HydrophobicContact CG-CD1 4.25Å; F88-L91 PolarHBondContact O-N 3.18Å; F88-I353 HydrophobicContact CB-CG2 4.06Å; F88-I353 HydrophobicContact CD1-CG2 3.43Å; F88-I353 VanDerWaalsContact CD1-CG2 3.43Å; F88-I353 HydrophobicContact CD2-CG2 3.92Å; F88-I353 HydrophobicContact CE1-CG2 3.81Å; F88-I353 HydrophobicContact CE2-CG2 4.25Å; F88-I353 HydrophobicContact CG-CG2 3.51Å; F88-I353 HydrophobicContact CZ-CG2 4.2Å; F88-S357 VanDerWaalsContact CE1-OG 3.25Å; F88-S357 WeakPolarHBondContact CE1-OG 3.44Å | ||
| 89 | R | 83.2 | Confident | 88.3 | Confident | 204 Ų | 204 | 58.2 Ų | 58.2 | 77% | 0.77 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -53 | -37.7 | 175.8 | -173.8 | 172.9 | 179.5 | 167.3 | -0.4 | 113.7 | L91 R92 | R89-L91 PolarHBondContact O-N 3.03Å; R89-R92 PolarHBondContact O-N 3.4Å; R89-R92 VanDerWaalsContact O-N 3.17Å |
| 90 | R | 81.2 | Confident | 88.1 | Confident | 170 Ų | 170 | 56 Ų | 56 | 64% | 0.642 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -63.6 | -26.6 | 178.4 | -68.7 | -174.6 | 178.5 | -175.7 | -2.2 | 113.1 | F88 I353 | F88-R90 PolarHBondContact O-N 3.11Å; F88-R90 VanDerWaalsContact O-N 3.15Å; R90-I353 HydrophobicContact CB-CD1 4.34Å |
| 91 | L | 81.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -86.6 | -3.8 | 178.8 | -66.7 | 176.7 | 0 | 0 | 0 | 113 | I84 F85 F88 R89 V93 N96 E349 V350 I353 | I84-L91 HydrophobicContact CG2-CD1 4.21Å; F85-L91 HydrophobicContact CD1-CB 4.22Å; F85-L91 HydrophobicContact CD1-CD1 3.92Å; F85-L91 HydrophobicContact CE1-CD1 4.31Å; F88-L91 HydrophobicContact CB-CB 4.2Å; F88-L91 HydrophobicContact CB-CD1 3.84Å; F88-L91 HydrophobicContact CB-CG 3.98Å; F88-L91 HydrophobicContact CD2-CD1 3.87Å; F88-L91 HydrophobicContact CG-CD1 4.25Å; F88-L91 PolarHBondContact O-N 3.18Å; R89-L91 PolarHBondContact O-N 3.03Å; L91-V93 PolarHBondContact O-N 2.88Å; L91-N96 WeakPolarHBondContact O-CB 3.2Å; L91-N96 PolarHBondContact O-ND2 2.89Å; L91-E349 HydrophobicContact CD2-CB 4.27Å; L91-V350 HydrophobicContact CD1-CG2 4.07Å; L91-I353 HydrophobicContact CD1-CD1 4.17Å; L91-I353 HydrophobicContact CD2-CD1 3.55Å; L91-I353 HydrophobicContact CG-CD1 3.66Å |
| 92 | R | 84.1 | Confident | 88.2 | Confident | 125 Ų | 125 | 54.9 Ų | 54.9 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | trans | -79.9 | 35.8 | -178.5 | -69.5 | -169.8 | -94.9 | 157 | -6.4 | 114.2 | R89 Q97 | R89-R92 PolarHBondContact O-N 3.4Å; R89-R92 VanDerWaalsContact O-N 3.17Å; R92-Q97 PolarHBondContact O-NE2 2.87Å | ||
| 93 | V | 85.1 | Confident | 88.3 | Confident | 82 Ų | 82 | 53.4 Ų | 53.4 | 50% | 0.497 | 26% | 0.256 | S | S | . | . | trans | -71.6 | 152.1 | 173.5 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | L91 R95 N96 Q97 | L91-V93 PolarHBondContact O-N 2.88Å; V93-R95 VanDerWaalsContact C-N 3.3Å; V93-R95 PolarHBondContact O-N 3.46Å; V93-N96 PolarHBondContact O-N 3.3Å; V93-Q97 WeakPolarHBondContact O-CG 3.26Å; V93-Q97 PolarHBondContact O-N 3.33Å | ||
| 94 | F | 86.2 | Confident | 88.4 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 20% | 0.202 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -48 | -46.9 | -177.8 | -176.3 | -101.6 | 0 | 0 | 0 | 113.8 | N96 Q97 L98 Y169 P183 K185 Y188 | F94-N96 PolarHBondContact O-N 2.9Å; F94-Q97 WeakPolarHBondContact O-CB 3.41Å; F94-Q97 PolarHBondContact O-N 3.25Å; F94-L98 PolarHBondContact O-N 2.81Å; F94-Y169 HydrophobicContact CD1-CD2 4.43Å; F94-Y169 AromaticContact CD1-CE2 3.67Å; F94-Y169 HydrophobicContact CD1-CE2 3.67Å; F94-Y169 AromaticContact CD1-CZ 3.72Å; F94-Y169 AromaticContact CE1-CD2 3.82Å; F94-Y169 HydrophobicContact CE1-CD2 3.82Å; F94-Y169 AromaticContact CE1-CE2 3.46Å; F94-Y169 HydrophobicContact CE1-CE2 3.46Å; F94-Y169 VanDerWaalsContact CE1-CE2 3.46Å; F94-Y169 AromaticContact CE1-CZ 3.95Å; F94-P183 HydrophobicContact CD1-CG 4.2Å; F94-P183 HydrophobicContact CE1-CB 4.44Å; F94-P183 HydrophobicContact CE1-CG 3.86Å; F94-P183 HydrophobicContact CZ-CB 4.4Å; F94-P183 HydrophobicContact CZ-CG 4.2Å; F94-K185 HydrophobicContact CD2-CB 4.35Å; F94-K185 HydrophobicContact CE2-CB 3.78Å; F94-K185 HydrophobicContact CE2-CG 3.98Å; F94-Y188 AromaticContact CZ-CD2 3.89Å; F94-Y188 HydrophobicContact CZ-CD2 3.89Å; F94-Y188 HydrophobicContact CZ-CE2 4.22Å; F94-Y188 HydrophobicContact CZ-CG 4.35Å |
| 95 | R | 85.9 | Confident | 88.6 | Confident | 102 Ų | 102 | 53 Ų | 53 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.1 | -46.7 | 175.2 | -177.5 | -169.5 | 67.2 | -164.6 | -3.7 | 112.6 | V93 Q97 L98 H99 Y169 | V93-R95 VanDerWaalsContact C-N 3.3Å; V93-R95 PolarHBondContact O-N 3.46Å; R95-Q97 VanDerWaalsContact C-N 3.33Å; R95-L98 VanDerWaalsContact O-CB 3.3Å; R95-L98 WeakPolarHBondContact O-CB 3.34Å; R95-L98 PolarHBondContact O-N 2.89Å; R95-H99 WeakPolarHBondContact CG-NE2 3.41Å; R95-H99 PolarHBondContact O-CD2 3.4Å; R95-H99 VanDerWaalsContact O-CD2 3.24Å; R95-H99 PolarHBondContact O-N 2.96Å; R95-Y169 HydrophobicContact CB-CE1 4.25Å; R95-Y169 HydrophobicContact CG-CE1 4.33Å |
| 96 | N | 88.2 | Confident | 88.8 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -72.4 | -30.5 | -179 | -63.6 | -1.4 | 0 | 0 | 0 | 111.6 | L91 V93 F94 L98 H99 Q100 | L91-N96 WeakPolarHBondContact O-CB 3.2Å; L91-N96 PolarHBondContact O-ND2 2.89Å; V93-N96 PolarHBondContact O-N 3.3Å; F94-N96 PolarHBondContact O-N 2.9Å; N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact O-N 2.78Å; N96-H99 PolarHBondContact O-N 3.05Å; N96-Q100 WeakPolarHBondContact O-CG 3.39Å; N96-Q100 PolarHBondContact O-N 3.45Å |
| 97 | Q | 89.5 | Confident | 89.2 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 22% | 0.215 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.5 | -36 | 170.1 | -65.2 | -179.4 | 8.7 | 0 | 0 | 111.4 | R92 V93 F94 R95 Q100 Q101 K185 | R92-Q97 PolarHBondContact O-NE2 2.87Å; V93-Q97 WeakPolarHBondContact O-CG 3.26Å; V93-Q97 PolarHBondContact O-N 3.33Å; F94-Q97 WeakPolarHBondContact O-CB 3.41Å; F94-Q97 PolarHBondContact O-N 3.25Å; R95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-Q100 WeakPolarHBondContact O-CB 3.16Å; Q97-Q100 PolarHBondContact O-N 3.31Å; Q97-Q101 WeakPolarHBondContact O-CG 3.29Å; Q97-Q101 PolarHBondContact O-N 3.29Å; Q97-K185 VanDerWaalsContact OE1-CE 3.26Å |
| 98 | L | 89.5 | Confident | 89.5 | Confident | 8 Ų | 8 | 51.2 Ų | 51.2 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 173.5 | -176.2 | 59.6 | 0 | 0 | 0 | 111.3 | F94 R95 N96 Q100 Q101 L102 W162 I165 E166 Y169 | F94-L98 PolarHBondContact O-N 2.81Å; R95-L98 VanDerWaalsContact O-CB 3.3Å; R95-L98 WeakPolarHBondContact O-CB 3.34Å; R95-L98 PolarHBondContact O-N 2.89Å; N96-L98 VanDerWaalsContact C-N 3.28Å; N96-L98 PolarHBondContact O-N 2.78Å; L98-Q100 VanDerWaalsContact C-N 3.28Å; L98-Q100 PolarHBondContact O-N 3.47Å; L98-Q101 PolarHBondContact O-N 3.43Å; L98-Q101 VanDerWaalsContact O-N 3.16Å; L98-L102 PolarHBondContact O-N 3.19Å; L98-W162 HydrophobicContact CD1-CE3 3.45Å; L98-W162 VanDerWaalsContact CD1-CE3 3.45Å; L98-W162 HydrophobicContact CD1-CH2 4.5Å; L98-W162 HydrophobicContact CD1-CZ3 3.25Å; L98-I165 HydrophobicContact CD1-CG2 3.81Å; L98-E166 HydrophobicContact CD2-CB 4.31Å; L98-E166 HydrophobicContact CD2-CG 4.49Å; L98-Y169 HydrophobicContact CD2-CD1 3.71Å; L98-Y169 HydrophobicContact CD2-CG 3.83Å |
| 99 | H | 91.1 | Very high | 89.9 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.6 | -41.1 | 172.1 | -61.6 | -48 | 0 | 0 | 0 | 112 | F85 R95 N96 L102 F103 E166 Y343 | F85-H99 HydrophobicContact CE2-CB 4.1Å; R95-H99 WeakPolarHBondContact CG-NE2 3.41Å; R95-H99 PolarHBondContact O-CD2 3.4Å; R95-H99 VanDerWaalsContact O-CD2 3.24Å; R95-H99 PolarHBondContact O-N 2.96Å; N96-H99 PolarHBondContact O-N 3.05Å; H99-L102 PolarHBondContact O-N 2.92Å; H99-F103 HydrophobicContact CB-CE2 4.46Å; H99-F103 HydrophobicContact CB-CZ 4.32Å; H99-F103 WeakPolarHBondContact O-CD1 3.35Å; H99-F103 WeakPolarHBondContact O-CD2 3.22Å; H99-F103 WeakPolarHBondContact O-CG 3.47Å; H99-F103 PolarHBondContact O-N 2.99Å; H99-E166 IonicContact CE1-OE1 2.65Å; H99-E166 PolarHBondContact CE1-OE1 3.49Å; H99-E166 IonicContact CG-OE1 2.82Å; H99-E166 IonicContact ND1-OE1 3.54Å; H99-E166 PolarHBondContact ND1-OE1 3.4Å; H99-Y343 AromaticContact CE1-CD1 3.95Å; H99-Y343 AromaticContact CE1-CE1 3.99Å; H99-Y343 AromaticContact CE1-CG 3.97Å; H99-Y343 AromaticContact ND1-CD2 3.61Å; H99-Y343 AromaticContact ND1-CE2 3.79Å; H99-Y343 AromaticContact ND1-CG 3.89Å |
| 100 | Q | 92.4 | Very high | 90.4 | Very high | 27 Ų | 27 | 40.4 Ų | 40.4 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 176.1 | -75.6 | -177.4 | -59.8 | 0 | 0 | 112.6 | F85 N96 Q97 L98 L102 F103 I104 | F85-Q100 VanDerWaalsContact C-NE2 3.29Å; F85-Q100 HydrophobicContact CB-CG 3.6Å; F85-Q100 VanDerWaalsContact CB-NE2 3.27Å; F85-Q100 HydrophobicContact CD2-CG 3.73Å; F85-Q100 HydrophobicContact CG-CG 4.16Å; N96-Q100 WeakPolarHBondContact O-CG 3.39Å; N96-Q100 PolarHBondContact O-N 3.45Å; Q97-Q100 WeakPolarHBondContact O-CB 3.16Å; Q97-Q100 PolarHBondContact O-N 3.31Å; L98-Q100 VanDerWaalsContact C-N 3.28Å; L98-Q100 PolarHBondContact O-N 3.47Å; Q100-L102 VanDerWaalsContact C-N 3.32Å; Q100-L102 PolarHBondContact O-N 3.2Å; Q100-F103 PolarHBondContact O-N 3.32Å; Q100-I104 WeakPolarHBondContact O-CD1 3.39Å; Q100-I104 VanDerWaalsContact O-CG1 3.23Å; Q100-I104 WeakPolarHBondContact O-CG1 3.28Å; Q100-I104 PolarHBondContact O-N 3.44Å |
| 101 | Q | 94.5 | Very high | 91.1 | Very high | 36 Ų | 36 | 34.4 Ų | 34.4 | 17% | 0.168 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 177.3 | -66.9 | -60.5 | -48.3 | 0 | 0 | 111.5 | Q97 L98 I104 A105 W162 M189 | Q97-Q101 WeakPolarHBondContact O-CG 3.29Å; Q97-Q101 PolarHBondContact O-N 3.29Å; L98-Q101 PolarHBondContact O-N 3.43Å; L98-Q101 VanDerWaalsContact O-N 3.16Å; Q101-I104 PolarHBondContact O-N 2.94Å; Q101-A105 WeakPolarHBondContact O-CB 3.35Å; Q101-A105 PolarHBondContact O-N 3.44Å; Q101-W162 HydrophobicContact CB-CD2 3.73Å; Q101-W162 HydrophobicContact CB-CE3 3.78Å; Q101-W162 HydrophobicContact CB-CH2 3.63Å; Q101-W162 HydrophobicContact CB-CZ2 3.56Å; Q101-W162 HydrophobicContact CB-CZ3 3.76Å; Q101-W162 HydrophobicContact CG-CH2 3.66Å; Q101-W162 HydrophobicContact CG-CZ2 3.79Å; Q101-W162 HydrophobicContact CG-CZ3 4.13Å; Q101-M189 HydrophobicContact CG-CE 4.46Å; Q101-M189 HydrophobicContact CG-SD 3.83Å |
| 102 | L | 92.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 172.9 | 176.2 | 60.4 | 0 | 0 | 0 | 111.8 | L98 H99 Q100 I104 A105 I106 W162 M163 E166 I339 Y343 | L98-L102 PolarHBondContact O-N 3.19Å; H99-L102 PolarHBondContact O-N 2.92Å; Q100-L102 VanDerWaalsContact C-N 3.32Å; Q100-L102 PolarHBondContact O-N 3.2Å; L102-I104 VanDerWaalsContact C-N 3.32Å; L102-I104 PolarHBondContact O-N 3.45Å; L102-A105 PolarHBondContact O-N 3.37Å; L102-I106 HydrophobicContact CD1-CD1 3.88Å; L102-I106 HydrophobicContact CD1-CG1 4.18Å; L102-I106 HydrophobicContact CG-CD1 4.04Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.93Å; L102-W162 HydrophobicContact CB-CB 4.2Å; L102-W162 HydrophobicContact CD1-CB 3.84Å; L102-M163 HydrophobicContact CD1-CB 4.47Å; L102-M163 HydrophobicContact CD1-CG 3.48Å; L102-M163 VanDerWaalsContact CD1-CG 3.48Å; L102-M163 HydrophobicContact CD2-CG 4.33Å; L102-E166 VanDerWaalsContact CD2-OE2 3.26Å; L102-E166 WeakPolarHBondContact CD2-OE2 3.12Å; L102-I339 HydrophobicContact CD2-CG2 4.21Å; L102-Y343 HydrophobicContact CD2-CE2 4.24Å |
| 103 | F | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.8 | -62.2 | -20 | 0 | 0 | 0 | 112.3 | L78 A81 I82 F85 H99 Q100 I106 L107 I339 Y343 C344 | L78-F103 HydrophobicContact CD2-CB 4.02Å; L78-F103 HydrophobicContact CD2-CD1 3.93Å; L78-F103 HydrophobicContact CD2-CG 4.13Å; A81-F103 HydrophobicContact CB-CD2 4.06Å; A81-F103 HydrophobicContact CB-CE2 3.8Å; A81-F103 HydrophobicContact CB-CZ 4.46Å; I82-F103 HydrophobicContact CD1-CB 3.82Å; I82-F103 HydrophobicContact CG1-CB 3.57Å; I82-F103 HydrophobicContact CG1-CD2 4.11Å; I82-F103 HydrophobicContact CG1-CG 4.35Å; F85-F103 HydrophobicContact CD2-CD2 4.31Å; F85-F103 AromaticContact CD2-CE2 3.75Å; F85-F103 HydrophobicContact CD2-CE2 3.75Å; F85-F103 HydrophobicContact CE2-CD2 4.42Å; F85-F103 AromaticContact CE2-CE2 3.47Å; F85-F103 HydrophobicContact CE2-CE2 3.47Å; F85-F103 VanDerWaalsContact CE2-CE2 3.47Å; F85-F103 HydrophobicContact CE2-CZ 4.09Å; H99-F103 HydrophobicContact CB-CE2 4.46Å; H99-F103 HydrophobicContact CB-CZ 4.32Å; H99-F103 WeakPolarHBondContact O-CD1 3.35Å; H99-F103 WeakPolarHBondContact O-CD2 3.22Å; H99-F103 WeakPolarHBondContact O-CG 3.47Å; H99-F103 PolarHBondContact O-N 2.99Å; Q100-F103 PolarHBondContact O-N 3.32Å; F103-I106 PolarHBondContact O-N 2.84Å; F103-L107 WeakPolarHBondContact O-CB 3.47Å; F103-L107 PolarHBondContact O-N 2.94Å; F103-I339 HydrophobicContact CD1-CG2 4.18Å; F103-I339 HydrophobicContact CE1-CG2 3.63Å; F103-Y343 HydrophobicContact CE1-CD2 4.16Å; F103-Y343 HydrophobicContact CZ-CD2 4.46Å; F103-C344 HydrophobicContact CE2-CB 4.43Å; F103-C344 HydrophobicContact CZ-CB 4.46Å |
| 104 | I | 95.3 | Very high | 92.3 | Very high | 65 Ų | 65 | 27.4 Ų | 27.4 | 33% | 0.333 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 177.4 | -69.6 | 163.6 | 0 | 0 | 0 | 110.5 | I82 Q100 Q101 L102 L107 L108 W193 | I82-I104 HydrophobicContact CD1-CG1 3.97Å; I82-I104 HydrophobicContact CG1-CG1 4.47Å; Q100-I104 WeakPolarHBondContact O-CD1 3.39Å; Q100-I104 VanDerWaalsContact O-CG1 3.23Å; Q100-I104 WeakPolarHBondContact O-CG1 3.28Å; Q100-I104 PolarHBondContact O-N 3.44Å; Q101-I104 PolarHBondContact O-N 2.94Å; L102-I104 VanDerWaalsContact C-N 3.32Å; L102-I104 PolarHBondContact O-N 3.45Å; I104-L107 PolarHBondContact O-N 3.3Å; I104-L108 WeakPolarHBondContact O-CB 3.47Å; I104-L108 PolarHBondContact O-N 3.35Å; I104-W193 HydrophobicContact CG2-CH2 4.12Å; I104-W193 HydrophobicContact CG2-CZ2 4.08Å |
| 105 | A | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q101 L102 L108 T109 V158 A159 W162 | Q101-A105 WeakPolarHBondContact O-CB 3.35Å; Q101-A105 PolarHBondContact O-N 3.44Å; L102-A105 PolarHBondContact O-N 3.37Å; A105-L108 PolarHBondContact O-N 2.93Å; A105-T109 PolarHBondContact O-N 3.14Å; A105-T109 PolarHBondContact O-OG1 2.94Å; A105-T109 VanDerWaalsContact O-OG1 3.04Å; A105-V158 HydrophobicContact CB-CG1 3.76Å; A105-A159 HydrophobicContact CB-CB 4.14Å; A105-W162 HydrophobicContact CB-CG 4.47Å |
| 106 | I | 93.2 | Very high | 92.7 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 7% | 0.067 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -67.3 | -42 | 175.6 | -61.1 | 170.6 | 0 | 0 | 0 | 110.1 | L78 L102 F103 L108 T109 V110 A159 I339 | L78-I106 HydrophobicContact CD1-CB 4.12Å; L78-I106 HydrophobicContact CD1-CG2 3.61Å; L102-I106 HydrophobicContact CD1-CD1 3.88Å; L102-I106 HydrophobicContact CD1-CG1 4.18Å; L102-I106 HydrophobicContact CG-CD1 4.04Å; L102-I106 WeakPolarHBondContact O-CG1 3.45Å; L102-I106 PolarHBondContact O-N 2.93Å; F103-I106 PolarHBondContact O-N 2.84Å; I106-L108 VanDerWaalsContact C-N 3.33Å; I106-L108 PolarHBondContact O-N 3.39Å; I106-T109 WeakPolarHBondContact O-CB 3.16Å; I106-T109 PolarHBondContact O-N 3.43Å; I106-V110 HydrophobicContact CG2-CG2 4.01Å; I106-V110 WeakPolarHBondContact O-CB 3.37Å; I106-V110 VanDerWaalsContact O-CG2 3.27Å; I106-V110 WeakPolarHBondContact O-CG2 3.45Å; I106-V110 PolarHBondContact O-N 3.33Å; I106-A159 HydrophobicContact CG1-CB 4.12Å; I106-I339 HydrophobicContact CD1-CD1 3.58Å |
| 107 | L | 96 | Very high | 92.5 | Very high | 32 Ų | 32 | 25.2 Ų | 25.2 | 17% | 0.168 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 178 | -179.9 | 64.1 | 0 | 0 | 0 | 111.5 | F75 L78 I79 I82 F103 I104 T109 V110 T111 | F75-L107 HydrophobicContact CD2-CD1 3.54Å; F75-L107 HydrophobicContact CE2-CD1 3.84Å; F75-L107 HydrophobicContact CG-CD1 4.34Å; L78-L107 HydrophobicContact CB-CB 4.47Å; L78-L107 HydrophobicContact CB-CD1 4.27Å; L78-L107 HydrophobicContact CD1-CB 4.39Å; I79-L107 HydrophobicContact CD1-CD1 4.38Å; I79-L107 HydrophobicContact CG1-CD1 3.87Å; I79-L107 HydrophobicContact CG1-CD2 3.95Å; I82-L107 HydrophobicContact CD1-CB 4.36Å; I82-L107 HydrophobicContact CD1-CD2 3.7Å; F103-L107 WeakPolarHBondContact O-CB 3.47Å; F103-L107 PolarHBondContact O-N 2.94Å; I104-L107 PolarHBondContact O-N 3.3Å; L107-T109 VanDerWaalsContact C-N 3.35Å; L107-T109 PolarHBondContact O-N 3.15Å; L107-V110 PolarHBondContact O-N 3.31Å; L107-T111 VanDerWaalsContact O-CB 3.28Å; L107-T111 WeakPolarHBondContact O-CB 3.44Å; L107-T111 PolarHBondContact O-N 3.48Å; L107-T111 PolarHBondContact O-OG1 2.97Å |
| 108 | L | 95.1 | Very high | 92.4 | Very high | 60 Ų | 60 | 26.1 Ų | 26.1 | 31% | 0.314 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -55.6 | -51.2 | 174.4 | 177.6 | 65.5 | 0 | 0 | 0 | 110.6 | I104 A105 I106 V110 T111 I112 W193 | I104-L108 WeakPolarHBondContact O-CB 3.47Å; I104-L108 PolarHBondContact O-N 3.35Å; A105-L108 PolarHBondContact O-N 2.93Å; I106-L108 VanDerWaalsContact C-N 3.33Å; I106-L108 PolarHBondContact O-N 3.39Å; L108-V110 PolarHBondContact O-N 3.28Å; L108-T111 PolarHBondContact O-N 2.99Å; L108-I112 HydrophobicContact CD1-CD1 3.71Å; L108-I112 HydrophobicContact CD1-CG1 4.36Å; L108-I112 HydrophobicContact CG-CD1 3.88Å; L108-I112 VanDerWaalsContact O-CG1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 3.25Å; L108-I112 PolarHBondContact O-N 3.31Å; L108-W193 HydrophobicContact CD2-CZ3 4.18Å |
| 109 | T | 93.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 26.6 Ų | 26.6 | 6% | 0.061 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 179.5 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | A105 I106 L107 R113 L152 G155 K156 | A105-T109 PolarHBondContact O-N 3.14Å; A105-T109 PolarHBondContact O-OG1 2.94Å; A105-T109 VanDerWaalsContact O-OG1 3.04Å; I106-T109 WeakPolarHBondContact O-CB 3.16Å; I106-T109 PolarHBondContact O-N 3.43Å; L107-T109 VanDerWaalsContact C-N 3.35Å; L107-T109 PolarHBondContact O-N 3.15Å; T109-R113 VanDerWaalsContact O-CB 3.32Å; T109-R113 WeakPolarHBondContact O-CB 3.25Å; T109-R113 PolarHBondContact O-N 2.84Å; T109-L152 HydrophobicContact CG2-CD1 4.26Å; T109-G155 WeakPolarHBondContact OG1-CA 3.48Å; T109-G155 PolarHBondContact OG1-O 2.91Å; T109-K156 HydrophobicContact CG2-CG 3.83Å; T109-K156 PolarHBondContact OG1-N 3.42Å |
| 110 | V | 94.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 179.4 | 170 | 0 | 0 | 0 | 0 | 110.7 | L71 F75 L78 I106 L107 L108 R113 L114 | L71-V110 HydrophobicContact CB-CG1 4.28Å; L71-V110 HydrophobicContact CD2-CB 4.38Å; L71-V110 HydrophobicContact CD2-CG1 4.14Å; L71-V110 HydrophobicContact CD2-CG2 3.95Å; L71-V110 WeakPolarHBondContact O-CG1 3.4Å; F75-V110 HydrophobicContact CB-CG1 3.86Å; F75-V110 HydrophobicContact CD2-CG1 4.34Å; L78-V110 HydrophobicContact CD1-CG2 4.48Å; I106-V110 HydrophobicContact CG2-CG2 4.01Å; I106-V110 WeakPolarHBondContact O-CB 3.37Å; I106-V110 VanDerWaalsContact O-CG2 3.27Å; I106-V110 WeakPolarHBondContact O-CG2 3.45Å; I106-V110 PolarHBondContact O-N 3.33Å; L107-V110 PolarHBondContact O-N 3.31Å; L108-V110 PolarHBondContact O-N 3.28Å; V110-R113 PolarHBondContact O-N 3.45Å; V110-L114 VanDerWaalsContact O-CB 3.27Å; V110-L114 WeakPolarHBondContact O-CB 3.28Å; V110-L114 PolarHBondContact O-N 3.43Å |
| 111 | T | 94.7 | Very high | 90.9 | Very high | 44 Ų | 44 | 30.8 Ų | 30.8 | 27% | 0.27 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63.6 | -50 | -179.7 | -55.3 | 0 | 0 | 0 | 0 | 110.9 | F75 L107 L108 R113 L114 I115 | F75-T111 HydrophobicContact CE2-CG2 4.35Å; F75-T111 WeakPolarHBondContact CE2-OG1 3.49Å; L107-T111 VanDerWaalsContact O-CB 3.28Å; L107-T111 WeakPolarHBondContact O-CB 3.44Å; L107-T111 PolarHBondContact O-N 3.48Å; L107-T111 PolarHBondContact O-OG1 2.97Å; L108-T111 PolarHBondContact O-N 2.99Å; T111-R113 VanDerWaalsContact C-N 3.35Å; T111-R113 PolarHBondContact O-N 3.25Å; T111-L114 PolarHBondContact O-N 2.93Å; T111-I115 HydrophobicContact CG2-CD1 3.98Å; T111-I115 VanDerWaalsContact O-CG1 3.29Å; T111-I115 WeakPolarHBondContact O-CG1 3.49Å; T111-I115 PolarHBondContact O-N 3.39Å |
| 112 | I | 93.3 | Very high | 90.2 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 179 | -66.8 | 167 | 0 | 0 | 0 | 110.6 | L108 L114 I115 L116 F148 A151 L152 | L108-I112 HydrophobicContact CD1-CD1 3.71Å; L108-I112 HydrophobicContact CD1-CG1 4.36Å; L108-I112 HydrophobicContact CG-CD1 3.88Å; L108-I112 VanDerWaalsContact O-CG1 3.28Å; L108-I112 WeakPolarHBondContact O-CG1 3.25Å; L108-I112 PolarHBondContact O-N 3.31Å; I112-L114 PolarHBondContact O-N 2.9Å; I112-I115 PolarHBondContact O-N 3.2Å; I112-L116 HydrophobicContact CG2-CD1 4.17Å; I112-L116 WeakPolarHBondContact O-CG 3.47Å; I112-L116 PolarHBondContact O-N 2.84Å; I112-F148 HydrophobicContact CG2-CD1 4.21Å; I112-F148 WeakPolarHBondContact CG2-O 3.42Å; I112-A151 HydrophobicContact CD1-CB 3.75Å; I112-L152 HydrophobicContact CB-CD1 4.38Å; I112-L152 HydrophobicContact CG2-CB 3.72Å; I112-L152 HydrophobicContact CG2-CD1 4.02Å; I112-L152 HydrophobicContact CG2-CG 4.45Å |
| 113 | R | 91.8 | Very high | 89.1 | Confident | 19 Ų | 19 | 35.8 Ų | 35.8 | 7% | 0.072 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 178.6 | -168.8 | 169.7 | -174.7 | 162.2 | 3.1 | 112.1 | E67 L71 T109 V110 T111 L116 Y117 L152 M333 | E67-R113 IonicContact OE1-NH2 3.6Å; E67-R113 IonicContact OE2-NH2 3.36Å; E67-R113 PolarHBondContact OE2-NH2 2.02Å; L71-R113 HydrophobicContact CD1-CB 4.36Å; L71-R113 HydrophobicContact CD1-CG 3.83Å; T109-R113 VanDerWaalsContact O-CB 3.32Å; T109-R113 WeakPolarHBondContact O-CB 3.25Å; T109-R113 PolarHBondContact O-N 2.84Å; V110-R113 PolarHBondContact O-N 3.45Å; T111-R113 VanDerWaalsContact C-N 3.35Å; T111-R113 PolarHBondContact O-N 3.25Å; R113-L116 PolarHBondContact O-N 3.39Å; R113-Y117 HydrophobicContact CG-CD1 4.5Å; R113-Y117 HydrophobicContact CG-CE1 4.22Å; R113-Y117 HydrophobicContact CG-CE2 4.41Å; R113-Y117 PolarHBondContact NE-OH 2.96Å; R113-Y117 VanDerWaalsContact NE-OH 3.12Å; R113-Y117 PolarHBondContact NH2-OH 3.24Å; R113-Y117 WeakPolarHBondContact O-CB 3.28Å; R113-Y117 PolarHBondContact O-N 2.88Å; R113-L152 HydrophobicContact CB-CD1 3.93Å; R113-M333 VanDerWaalsContact NH1-CE 3.33Å |
| 114 | L | 92.3 | Very high | 87.9 | Confident | 28 Ų | 28 | 39.3 Ų | 39.3 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.9 | -172.1 | 68.5 | 0 | 0 | 0 | 111.2 | F68 V110 T111 I112 Y117 I118 | F68-L114 HydrophobicContact CD2-CD1 3.91Å; F68-L114 HydrophobicContact CE2-CD1 3.56Å; F68-L114 HydrophobicContact CZ-CD1 4.18Å; V110-L114 VanDerWaalsContact O-CB 3.27Å; V110-L114 WeakPolarHBondContact O-CB 3.28Å; V110-L114 PolarHBondContact O-N 3.43Å; T111-L114 PolarHBondContact O-N 2.93Å; I112-L114 PolarHBondContact O-N 2.9Å; L114-Y117 PolarHBondContact O-N 3.43Å; L114-I118 HydrophobicContact CD1-CD1 4.42Å; L114-I118 HydrophobicContact CG-CD1 3.92Å; L114-I118 WeakPolarHBondContact O-CB 3.47Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.26Å; L114-I118 PolarHBondContact O-N 3.49Å |
| 115 | I | 91.6 | Very high | 86.6 | Confident | 66 Ų | 66 | 44.4 Ų | 44.4 | 34% | 0.338 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 175.6 | -67.8 | 164.7 | 0 | 0 | 0 | 110.5 | T111 I112 Y117 I118 D119 I138 F148 | T111-I115 HydrophobicContact CG2-CD1 3.98Å; T111-I115 VanDerWaalsContact O-CG1 3.29Å; T111-I115 WeakPolarHBondContact O-CG1 3.49Å; T111-I115 PolarHBondContact O-N 3.39Å; I112-I115 PolarHBondContact O-N 3.2Å; I115-Y117 VanDerWaalsContact C-N 3.34Å; I115-Y117 PolarHBondContact O-N 2.95Å; I115-I118 PolarHBondContact O-N 3.38Å; I115-D119 PolarHBondContact O-N 3.38Å; I115-I138 HydrophobicContact CG2-CD1 4.07Å; I115-F148 HydrophobicContact CB-CE1 4.26Å; I115-F148 HydrophobicContact CD1-CE1 4.1Å; I115-F148 HydrophobicContact CG2-CD1 4.26Å; I115-F148 HydrophobicContact CG2-CE1 3.64Å; I115-F148 HydrophobicContact CG2-CZ 4.11Å |
| 116 | L | 87.5 | Confident | 85.1 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.6 | -39.4 | 177.3 | -74.5 | 171.5 | 0 | 0 | 0 | 112.5 | I112 R113 D119 Q120 F148 Y149 L152 | I112-L116 HydrophobicContact CG2-CD1 4.17Å; I112-L116 WeakPolarHBondContact O-CG 3.47Å; I112-L116 PolarHBondContact O-N 2.84Å; R113-L116 PolarHBondContact O-N 3.39Å; L116-D119 PolarHBondContact O-N 3Å; L116-Q120 WeakPolarHBondContact O-CB 3.46Å; L116-Q120 VanDerWaalsContact O-CG 3.28Å; L116-Q120 WeakPolarHBondContact O-CG 3.05Å; L116-Q120 PolarHBondContact O-N 2.78Å; L116-F148 HydrophobicContact CD2-CB 3.87Å; L116-F148 HydrophobicContact CD2-CG 4.47Å; L116-F148 HydrophobicContact CG-CB 4.35Å; L116-Y149 HydrophobicContact CD1-CD1 4.2Å; L116-Y149 HydrophobicContact CD1-CE1 4.16Å; L116-Y149 HydrophobicContact CD2-CE2 4.35Å; L116-L152 HydrophobicContact CD1-CB 4.4Å; L116-L152 HydrophobicContact CD1-CD2 3.91Å |
| 117 | Y | 85.3 | Confident | 83.5 | Confident | 29 Ų | 29 | 54.2 Ų | 54.2 | 11% | 0.114 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.5 | -40.5 | 176.9 | -80.6 | 7.1 | 0 | 0 | 0 | 112.6 | E67 L71 R113 L114 I115 Q120 I121 | E67-Y117 HydrophobicContact CB-CE2 4Å; E67-Y117 PolarHBondContact OE2-OH 3Å; L71-Y117 HydrophobicContact CD1-CD2 4.12Å; L71-Y117 HydrophobicContact CD1-CE2 3.94Å; R113-Y117 HydrophobicContact CG-CD1 4.5Å; R113-Y117 HydrophobicContact CG-CE1 4.22Å; R113-Y117 HydrophobicContact CG-CE2 4.41Å; R113-Y117 PolarHBondContact NE-OH 2.96Å; R113-Y117 VanDerWaalsContact NE-OH 3.12Å; R113-Y117 PolarHBondContact NH2-OH 3.24Å; R113-Y117 WeakPolarHBondContact O-CB 3.28Å; R113-Y117 PolarHBondContact O-N 2.88Å; L114-Y117 PolarHBondContact O-N 3.43Å; I115-Y117 VanDerWaalsContact C-N 3.34Å; I115-Y117 PolarHBondContact O-N 2.95Å; Y117-Q120 PolarHBondContact O-N 3.5Å; Y117-I121 WeakPolarHBondContact O-CD1 3.49Å; Y117-I121 VanDerWaalsContact O-CG1 3.25Å; Y117-I121 WeakPolarHBondContact O-CG1 3.33Å; Y117-I121 PolarHBondContact O-N 3.3Å |
| 118 | I | 86.5 | Confident | 81.8 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 174.9 | -70.9 | 169.2 | 0 | 0 | 0 | 109.6 | F68 L114 I115 Q120 I121 F122 | F68-I118 HydrophobicContact CE2-CG1 4.13Å; L114-I118 HydrophobicContact CD1-CD1 4.42Å; L114-I118 HydrophobicContact CG-CD1 3.92Å; L114-I118 WeakPolarHBondContact O-CB 3.47Å; L114-I118 VanDerWaalsContact O-CG1 3.23Å; L114-I118 WeakPolarHBondContact O-CG1 3.26Å; L114-I118 PolarHBondContact O-N 3.49Å; I115-I118 PolarHBondContact O-N 3.38Å; I118-Q120 PolarHBondContact O-N 3.22Å; I118-I121 PolarHBondContact O-N 3.24Å; I118-F122 HydrophobicContact CG2-CD2 3.56Å; I118-F122 HydrophobicContact CG2-CE2 3.42Å; I118-F122 VanDerWaalsContact CG2-CE2 3.42Å; I118-F122 WeakPolarHBondContact O-CD2 3.3Å; I118-F122 PolarHBondContact O-N 3Å |
| 119 | D | 84.5 | Confident | 80 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.1 | -47 | 176.6 | -178 | 80 | 0 | 0 | 0 | 112 | I115 L116 I121 F122 T123 I138 N139 | I115-D119 PolarHBondContact O-N 3.38Å; L116-D119 PolarHBondContact O-N 3Å; D119-I121 VanDerWaalsContact C-N 3.3Å; D119-I121 PolarHBondContact O-N 3.03Å; D119-F122 CarbonylContact O-C 3.52Å; D119-F122 PolarHBondContact O-N 3.17Å; D119-T123 PolarHBondContact O-N 3.41Å; D119-T123 PolarHBondContact O-OG1 3.29Å; D119-T123 VanDerWaalsContact O-OG1 3.14Å; D119-I138 HydrophobicContact CB-CB 4.46Å; D119-I138 HydrophobicContact CB-CD1 3.94Å; D119-I138 HydrophobicContact CB-CG1 4.38Å; D119-I138 WeakPolarHBondContact OD1-CB 3.02Å; D119-I138 WeakPolarHBondContact OD1-CG1 3.2Å; D119-I138 PolarHBondContact OD1-N 3.19Å; D119-N139 PolarHBondContact OD2-ND2 2.88Å |
| 120 | Q | 78.5 | Confident | 78.2 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.3 | -39.7 | 176 | -75.5 | 176.6 | -5.1 | 0 | 0 | 112.9 | L116 Y117 I118 S124 | L116-Q120 WeakPolarHBondContact O-CB 3.46Å; L116-Q120 VanDerWaalsContact O-CG 3.28Å; L116-Q120 WeakPolarHBondContact O-CG 3.05Å; L116-Q120 PolarHBondContact O-N 2.78Å; Y117-Q120 PolarHBondContact O-N 3.5Å; I118-Q120 PolarHBondContact O-N 3.22Å; Q120-S124 WeakPolarHBondContact O-CB 3.29Å; Q120-S124 PolarHBondContact O-N 2.98Å; Q120-S124 PolarHBondContact O-OG 2.59Å |
| 121 | I | 79.1 | Confident | 76.1 | Confident | 66 Ų | 66 | 68 Ų | 68 | 34% | 0.338 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.4 | -43.4 | 175.5 | -68.1 | 164.6 | 0 | 0 | 0 | 110.2 | Y117 I118 D119 S124 R125 | Y117-I121 WeakPolarHBondContact O-CD1 3.49Å; Y117-I121 VanDerWaalsContact O-CG1 3.25Å; Y117-I121 WeakPolarHBondContact O-CG1 3.33Å; Y117-I121 PolarHBondContact O-N 3.3Å; I118-I121 PolarHBondContact O-N 3.24Å; D119-I121 VanDerWaalsContact C-N 3.3Å; D119-I121 PolarHBondContact O-N 3.03Å; I121-S124 PolarHBondContact O-N 2.94Å; I121-S124 PolarHBondContact O-OG 2.86Å; I121-R125 WeakPolarHBondContact O-CG 3.47Å; I121-R125 PolarHBondContact O-N 3.33Å |
| 122 | F | 78.9 | Confident | 74.3 | Confident | 123 Ų | 123 | 69.1 Ų | 69.1 | 54% | 0.539 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 176.7 | -82.6 | -70.1 | 0 | 0 | 0 | 112.3 | I118 D119 S124 R125 I126 | I118-F122 HydrophobicContact CG2-CD2 3.56Å; I118-F122 HydrophobicContact CG2-CE2 3.42Å; I118-F122 VanDerWaalsContact CG2-CE2 3.42Å; I118-F122 WeakPolarHBondContact O-CD2 3.3Å; I118-F122 PolarHBondContact O-N 3Å; D119-F122 CarbonylContact O-C 3.52Å; D119-F122 PolarHBondContact O-N 3.17Å; F122-S124 VanDerWaalsContact C-N 3.33Å; F122-S124 PolarHBondContact O-N 3.19Å; F122-R125 PolarHBondContact O-N 3.25Å; F122-R125 VanDerWaalsContact O-N 3.09Å; F122-I126 WeakPolarHBondContact O-CG1 3.47Å; F122-I126 PolarHBondContact O-N 3.22Å |
| 123 | T | 71 | Confident | 72.3 | Confident | 18 Ų | 18 | 75.9 Ų | 75.9 | 11% | 0.11 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58 | -45.1 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | D119 R125 I126 E127 N139 | D119-T123 PolarHBondContact O-N 3.41Å; D119-T123 PolarHBondContact O-OG1 3.29Å; D119-T123 VanDerWaalsContact O-OG1 3.14Å; T123-R125 PolarHBondContact O-N 3.44Å; T123-R125 VanDerWaalsContact O-N 3.15Å; T123-I126 PolarHBondContact O-N 3.46Å; T123-E127 HydrophobicContact CG2-CG 4.44Å; T123-E127 PolarHBondContact O-N 3.01Å; T123-N139 PolarHBondContact OG1-ND2 3.38Å; T123-N139 VanDerWaalsContact OG1-ND2 3.07Å |
| 124 | S | 69.1 | Low | 70.5 | Confident | 75 Ų | 75 | 81 Ų | 81 | 52% | 0.524 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.9 | -24.9 | 178.6 | 73.1 | 0 | 0 | 0 | 0 | 114 | Q120 I121 F122 | Q120-S124 WeakPolarHBondContact O-CB 3.29Å; Q120-S124 PolarHBondContact O-N 2.98Å; Q120-S124 PolarHBondContact O-OG 2.59Å; I121-S124 PolarHBondContact O-N 2.94Å; I121-S124 PolarHBondContact O-OG 2.86Å; F122-S124 VanDerWaalsContact C-N 3.33Å; F122-S124 PolarHBondContact O-N 3.19Å |
| 125 | R | 68.2 | Low | 68.5 | Low | 171 Ų | 171 | 81.8 Ų | 81.8 | 65% | 0.645 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -83.5 | -35 | 174.1 | -67.2 | 179 | -171.9 | -130 | 3.5 | 111.7 | I121 F122 T123 S128 | I121-R125 WeakPolarHBondContact O-CG 3.47Å; I121-R125 PolarHBondContact O-N 3.33Å; F122-R125 PolarHBondContact O-N 3.25Å; F122-R125 VanDerWaalsContact O-N 3.09Å; T123-R125 PolarHBondContact O-N 3.44Å; T123-R125 VanDerWaalsContact O-N 3.15Å; R125-S128 PolarHBondContact O-N 2.96Å; R125-S128 PolarHBondContact O-OG 2.89Å |
| 126 | I | 63.1 | Low | 66.9 | Low | 61 Ų | 61 | 84.1 Ų | 84.1 | 31% | 0.313 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.5 | -33.7 | -178.9 | -66.1 | 163.8 | 0 | 0 | 0 | 111.5 | F122 T123 S128 V129 T137 | F122-I126 WeakPolarHBondContact O-CG1 3.47Å; F122-I126 PolarHBondContact O-N 3.22Å; T123-I126 PolarHBondContact O-N 3.46Å; I126-S128 PolarHBondContact O-N 2.96Å; I126-S128 VanDerWaalsContact O-N 3.1Å; I126-V129 WeakPolarHBondContact O-CA 3.44Å; I126-V129 VanDerWaalsContact O-CB 3.29Å; I126-V129 WeakPolarHBondContact O-CB 3.36Å; I126-V129 PolarHBondContact O-N 2.91Å; I126-T137 HydrophobicContact CD1-CG2 3.54Å |
| 127 | E | 59.5 | Low | 65.5 | Low | 159 Ų | 159 | 84.6 Ų | 84.6 | 74% | 0.743 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.6 | 174.4 | -73.7 | -178.8 | 172.5 | 0 | 0 | 113.5 | T123 V129 | T123-E127 HydrophobicContact CG2-CG 4.44Å; T123-E127 PolarHBondContact O-N 3.01Å; E127-V129 VanDerWaalsContact C-N 3.25Å; E127-V129 PolarHBondContact O-N 3.36Å |
| 128 | S | 59.6 | Low | 64.3 | Low | 100 Ų | 100 | 84.6 Ų | 84.6 | 70% | 0.699 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -7 | 171.4 | 74.7 | 0 | 0 | 0 | 0 | 113.9 | R125 I126 | R125-S128 PolarHBondContact O-N 2.96Å; R125-S128 PolarHBondContact O-OG 2.89Å; I126-S128 PolarHBondContact O-N 2.96Å; I126-S128 VanDerWaalsContact O-N 3.1Å |
| 129 | V | 58.7 | Low | 63.1 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 36% | 0.358 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -96 | 132.3 | 178.1 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | I126 E127 Q133 | I126-V129 WeakPolarHBondContact O-CA 3.44Å; I126-V129 VanDerWaalsContact O-CB 3.29Å; I126-V129 WeakPolarHBondContact O-CB 3.36Å; I126-V129 PolarHBondContact O-N 2.91Å; E127-V129 VanDerWaalsContact C-N 3.25Å; E127-V129 PolarHBondContact O-N 3.36Å; V129-Q133 HydrophobicContact CG1-CB 4.18Å |
| 130 | P | 55 | Low | 62 | Low | 100 Ų | 100 | 87.3 Ų | 87.3 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | trans | -53.6 | 149.1 | 178.8 | -24.8 | 32.2 | 0 | 0 | 0 | 113.2 | G132 | P130-G132 PolarHBondContact O-N 2.96Š| ||
| 131 | P | 50.6 | Low | 61.6 | Low | 140 Ų | 140 | 88.7 Ų | 88.7 | 91% | 0.909 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 115.1 | 179.5 | 24.6 | -32.1 | 0 | 0 | 0 | 109.9 | ||
| 132 | G | 55.5 | Low | 61.1 | Low | 68 Ų | 68 | 87.8 Ų | 87.8 | 70% | 0.701 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 150.7 | -15.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P130 | P130-G132 PolarHBondContact O-N 2.96Š|
| 133 | Q | 52.8 | Low | 60.9 | Low | 156 Ų | 156 | 90.8 Ų | 90.8 | 73% | 0.729 | 52% | 0.516 | S | S | * | . | trans | -116.7 | 64 | 170.7 | -69.7 | -175.7 | 22.7 | 0 | 0 | 110.4 | V129 G135 | V129-Q133 HydrophobicContact CG1-CB 4.18Å; Q133-G135 PolarHBondContact O-N 3.17Å | ||
| 134 | T | 52.5 | Low | 61.5 | Low | 127 Ų | 127 | 92.3 Ų | 92.3 | 78% | 0.779 | 53% | 0.525 | S | S | * | . | trans | -77.3 | 91.2 | -177.7 | 47.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 135 | G | 52 | Low | 62.1 | Low | 44 Ų | 44 | 88.7 Ų | 88.7 | 45% | 0.454 | 50% | 0.5 | S | S | . | . | trans | -64.8 | 131.7 | 154 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q133 T137 | Q133-G135 PolarHBondContact O-N 3.17Å; G135-T137 PolarHBondContact O-N 2.9Å | ||
| 136 | T | 56.9 | Low | 62.7 | Low | 115 Ų | 115 | 81.8 Ų | 81.8 | 71% | 0.706 | 48% | 0.475 | S | S | * | . | trans | -68.4 | 113.6 | 176.1 | 51.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 137 | T | 58.9 | Low | 63.8 | Low | 16 Ų | 16 | 81.6 Ų | 81.6 | 10% | 0.098 | 48% | 0.483 | C | S | . | . | trans | -95.7 | 163.3 | 171 | 61.7 | 0 | 0 | 0 | 0 | 109.9 | I126 G135 N139 T140 M141 | I126-T137 HydrophobicContact CD1-CG2 3.54Å; G135-T137 PolarHBondContact O-N 2.9Å; T137-N139 PolarHBondContact O-N 2.91Å; T137-T140 PolarHBondContact N-OG1 3.48Å; T137-T140 WeakPolarHBondContact O-CA 3.49Å; T137-T140 VanDerWaalsContact O-CB 3.31Å; T137-T140 WeakPolarHBondContact O-CB 3.35Å; T137-T140 PolarHBondContact O-N 3.38Å; T137-T140 PolarHBondContact O-OG1 3.38Å; T137-T140 PolarHBondContact OG1-OG1 2.91Å; T137-M141 PolarHBondContact O-N 3.08Å | ||
| 138 | I | 60.2 | Low | 65.3 | Low | 28 Ų | 28 | 76.6 Ų | 76.6 | 14% | 0.144 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -57.5 | -35.4 | 177.8 | -64.7 | 175.2 | 0 | 0 | 0 | 109.9 | I115 D119 T140 M141 V144 C145 F148 | I115-I138 HydrophobicContact CG2-CD1 4.07Å; D119-I138 HydrophobicContact CB-CB 4.46Å; D119-I138 HydrophobicContact CB-CD1 3.94Å; D119-I138 HydrophobicContact CB-CG1 4.38Å; D119-I138 WeakPolarHBondContact OD1-CB 3.02Å; D119-I138 WeakPolarHBondContact OD1-CG1 3.2Å; D119-I138 PolarHBondContact OD1-N 3.19Å; I138-T140 PolarHBondContact O-N 3.37Å; I138-M141 CarbonylContact O-C 3.59Å; I138-M141 PolarHBondContact O-N 3.43Å; I138-V144 HydrophobicContact CG2-CG1 4.18Å; I138-C145 HydrophobicContact CG2-CB 3.91Å; I138-C145 WeakPolarHBondContact O-CB 3.48Å; I138-F148 HydrophobicContact CD1-CD2 4.46Å; I138-F148 HydrophobicContact CD1-CE2 4.25Å; I138-F148 HydrophobicContact CG2-CD2 4.34Å |
| 139 | N | 59.9 | Low | 66.6 | Low | 52 Ų | 52 | 72.9 Ų | 72.9 | 28% | 0.278 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -62.4 | -23.4 | 175.1 | -63 | -51.5 | 0 | 0 | 0 | 114.1 | D119 T123 T137 | D119-N139 PolarHBondContact OD2-ND2 2.88Å; T123-N139 PolarHBondContact OG1-ND2 3.38Å; T123-N139 VanDerWaalsContact OG1-ND2 3.07Å; T137-N139 PolarHBondContact O-N 2.91Å |
| 140 | T | 61.1 | Low | 68 | Low | 89 Ų | 89 | 70.7 Ų | 70.7 | 55% | 0.546 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -81.5 | -19.4 | 175.7 | -41.9 | 0 | 0 | 0 | 0 | 112 | T137 I138 | T137-T140 PolarHBondContact N-OG1 3.48Å; T137-T140 WeakPolarHBondContact O-CA 3.49Å; T137-T140 VanDerWaalsContact O-CB 3.31Å; T137-T140 WeakPolarHBondContact O-CB 3.35Å; T137-T140 PolarHBondContact O-N 3.38Å; T137-T140 PolarHBondContact O-OG1 3.38Å; T137-T140 PolarHBondContact OG1-OG1 2.91Å; I138-T140 PolarHBondContact O-N 3.37Å |
| 141 | M | 70.1 | Confident | 69.8 | Low | 96 Ų | 96 | 67.6 Ų | 67.6 | 47% | 0.473 | 40% | 0.4 | S | S | . | . | trans | -104.3 | 89.9 | 179.7 | -61.7 | -179.3 | 79 | 0 | 0 | 110 | T137 I138 Y143 V144 C145 | T137-M141 PolarHBondContact O-N 3.08Å; I138-M141 CarbonylContact O-C 3.59Å; I138-M141 PolarHBondContact O-N 3.43Å; M141-Y143 PolarHBondContact O-N 3.26Å; M141-V144 HydrophobicContact CB-CB 3.88Å; M141-V144 HydrophobicContact CB-CG2 3.9Å; M141-V144 HydrophobicContact CE-CG2 3.73Å; M141-V144 PolarHBondContact O-N 3.45Å; M141-V144 HydrophobicContact SD-CG2 4.17Å; M141-C145 PolarHBondContact O-N 2.91Å | ||
| 142 | N | 69.2 | Low | 71.8 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 25% | 0.246 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -50.8 | -50.4 | -171.6 | -64.9 | -16.7 | 0 | 0 | 0 | 113.1 | V144 C145 E146 V216 | N142-V144 PolarHBondContact O-N 3.43Å; N142-C145 PolarHBondContact O-N 3.15Å; N142-E146 VanDerWaalsContact O-CG 3.25Å; N142-E146 WeakPolarHBondContact O-CG 3.29Å; N142-E146 PolarHBondContact O-N 3.19Å; N142-V216 PolarHBondContact ND2-O 3.09Å |
| 143 | Y | 75.7 | Confident | 73.4 | Confident | 187 Ų | 187 | 58.2 Ų | 58.2 | 73% | 0.733 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.2 | -38 | -180 | -62.2 | -68.6 | 0 | 0 | 0 | 114.2 | M141 A147 | M141-Y143 PolarHBondContact O-N 3.26Å; Y143-A147 WeakPolarHBondContact O-CB 3.43Å; Y143-A147 PolarHBondContact O-N 3.43Å |
| 144 | V | 81.9 | Confident | 75.3 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 30% | 0.297 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -68.4 | -46.9 | -179.7 | 179.4 | 0 | 0 | 0 | 0 | 109 | I138 M141 N142 E146 A147 F148 | I138-V144 HydrophobicContact CG2-CG1 4.18Å; M141-V144 HydrophobicContact CB-CB 3.88Å; M141-V144 HydrophobicContact CB-CG2 3.9Å; M141-V144 HydrophobicContact CE-CG2 3.73Å; M141-V144 PolarHBondContact O-N 3.45Å; M141-V144 HydrophobicContact SD-CG2 4.17Å; N142-V144 PolarHBondContact O-N 3.43Å; V144-E146 VanDerWaalsContact C-N 3.32Å; V144-E146 PolarHBondContact O-N 3.36Å; V144-A147 WeakPolarHBondContact O-CB 3.33Å; V144-A147 PolarHBondContact O-N 3.49Å; V144-A147 VanDerWaalsContact O-N 3.16Å; V144-F148 HydrophobicContact CG1-CD2 3.71Å; V144-F148 HydrophobicContact CG1-CE2 3.59Å; V144-F148 VanDerWaalsContact O-CD2 3.29Å; V144-F148 WeakPolarHBondContact O-CD2 3.33Å; V144-F148 PolarHBondContact O-N 3.45Å |
| 145 | C | 81.8 | Confident | 77.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.8 | -46.6 | 177.3 | -156.6 | 0 | 0 | 0 | 0 | 111.7 | I138 M141 N142 A147 F148 Y149 C219 | I138-C145 HydrophobicContact CG2-CB 3.91Å; I138-C145 WeakPolarHBondContact O-CB 3.48Å; M141-C145 PolarHBondContact O-N 2.91Å; N142-C145 PolarHBondContact O-N 3.15Å; C145-A147 PolarHBondContact O-N 2.76Å; C145-F148 PolarHBondContact O-N 3.12Å; C145-Y149 VanDerWaalsContact O-CD2 3.22Å; C145-Y149 WeakPolarHBondContact O-CD2 3.49Å; C145-Y149 PolarHBondContact O-N 2.92Å; C145-Y149 VanDerWaalsContact O-N 3.13Å; C145-C219 HydrophobicContact CB-CB 3.6Å; C145-C219 WeakPolarHBondContact CB-SG 3.49Å; C145-C219 WeakPolarHBondContact SG-CB 3.35Å; C145-C219 CovalentContact SG-SG 2Å; C145-C219 PolarHBondContact SG-SG 2.88Å |
| 146 | E | 81.8 | Confident | 79 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -43.6 | 175.9 | -69.3 | -176.7 | -175.3 | 0 | 0 | 112.9 | N142 V144 F148 Y149 A150 R211 V216 L220 | N142-E146 VanDerWaalsContact O-CG 3.25Å; N142-E146 WeakPolarHBondContact O-CG 3.29Å; N142-E146 PolarHBondContact O-N 3.19Å; V144-E146 VanDerWaalsContact C-N 3.32Å; V144-E146 PolarHBondContact O-N 3.36Å; E146-F148 PolarHBondContact O-N 3.37Å; E146-Y149 PolarHBondContact O-N 2.99Å; E146-A150 WeakPolarHBondContact O-CB 3.19Å; E146-A150 PolarHBondContact O-N 2.87Å; E146-R211 IonicContact OE1-CZ 3.43Å; E146-R211 IonicContact OE1-NH1 3.36Å; E146-R211 PolarHBondContact OE1-NH1 3.46Å; E146-V216 WeakPolarHBondContact OE1-CG1 3.08Å; E146-L220 HydrophobicContact CB-CD1 3.8Å; E146-L220 HydrophobicContact CB-CG 4.43Å; E146-L220 HydrophobicContact CG-CB 4.21Å; E146-L220 HydrophobicContact CG-CD1 3.67Å; E146-L220 HydrophobicContact CG-CG 3.77Å |
| 147 | A | 86.8 | Confident | 80.5 | Confident | 58 Ų | 58 | 40.8 Ų | 40.8 | 48% | 0.479 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y143 V144 C145 A150 A151 | Y143-A147 WeakPolarHBondContact O-CB 3.43Å; Y143-A147 PolarHBondContact O-N 3.43Å; V144-A147 WeakPolarHBondContact O-CB 3.33Å; V144-A147 PolarHBondContact O-N 3.49Å; V144-A147 VanDerWaalsContact O-N 3.16Å; C145-A147 PolarHBondContact O-N 2.76Å; A147-A150 PolarHBondContact O-N 2.99Å; A147-A151 WeakPolarHBondContact O-CB 3.38Å; A147-A151 PolarHBondContact O-N 3.2Å |
| 148 | F | 89.8 | Confident | 82.1 | Confident | 54 Ų | 54 | 40 Ų | 40 | 24% | 0.237 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 177.2 | -88 | -86.8 | 0 | 0 | 0 | 112.4 | I112 I115 L116 I138 V144 C145 E146 A151 L152 | I112-F148 HydrophobicContact CG2-CD1 4.21Å; I112-F148 WeakPolarHBondContact CG2-O 3.42Å; I115-F148 HydrophobicContact CB-CE1 4.26Å; I115-F148 HydrophobicContact CD1-CE1 4.1Å; I115-F148 HydrophobicContact CG2-CD1 4.26Å; I115-F148 HydrophobicContact CG2-CE1 3.64Å; I115-F148 HydrophobicContact CG2-CZ 4.11Å; L116-F148 HydrophobicContact CD2-CB 3.87Å; L116-F148 HydrophobicContact CD2-CG 4.47Å; L116-F148 HydrophobicContact CG-CB 4.35Å; I138-F148 HydrophobicContact CD1-CD2 4.46Å; I138-F148 HydrophobicContact CD1-CE2 4.25Å; I138-F148 HydrophobicContact CG2-CD2 4.34Å; V144-F148 HydrophobicContact CG1-CD2 3.71Å; V144-F148 HydrophobicContact CG1-CE2 3.59Å; V144-F148 VanDerWaalsContact O-CD2 3.29Å; V144-F148 WeakPolarHBondContact O-CD2 3.33Å; V144-F148 PolarHBondContact O-N 3.45Å; C145-F148 PolarHBondContact O-N 3.12Å; E146-F148 PolarHBondContact O-N 3.37Å; F148-A151 PolarHBondContact O-N 3.38Å; F148-L152 WeakPolarHBondContact O-CB 3.34Å; F148-L152 PolarHBondContact O-N 2.84Å |
| 149 | Y | 86.9 | Confident | 83.5 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -68.6 | -41.1 | 175.9 | -78.6 | -68.8 | 0 | 0 | 0 | 112.4 | L116 C145 E146 A151 L152 E153 C219 L220 Y223 | L116-Y149 HydrophobicContact CD1-CD1 4.2Å; L116-Y149 HydrophobicContact CD1-CE1 4.16Å; L116-Y149 HydrophobicContact CD2-CE2 4.35Å; C145-Y149 VanDerWaalsContact O-CD2 3.22Å; C145-Y149 WeakPolarHBondContact O-CD2 3.49Å; C145-Y149 PolarHBondContact O-N 2.92Å; C145-Y149 VanDerWaalsContact O-N 3.13Å; E146-Y149 PolarHBondContact O-N 2.99Å; Y149-A151 VanDerWaalsContact C-N 3.35Å; Y149-A151 PolarHBondContact O-N 2.99Å; Y149-L152 HydrophobicContact CD1-CD2 4.48Å; Y149-L152 WeakPolarHBondContact O-CB 3.19Å; Y149-L152 PolarHBondContact O-N 3.42Å; Y149-E153 PolarHBondContact O-N 2.81Å; Y149-C219 VanDerWaalsContact CE2-SG 3.51Å; Y149-L220 HydrophobicContact CD2-CB 4.33Å; Y149-Y223 HydrophobicContact CD1-CD1 4.23Å; Y149-Y223 AromaticContact CD1-CE1 3.45Å; Y149-Y223 HydrophobicContact CD1-CE1 3.45Å; Y149-Y223 VanDerWaalsContact CD1-CE1 3.45Å; Y149-Y223 HydrophobicContact CE1-CE1 4.01Å; Y149-Y223 HydrophobicContact CG-CD1 4.34Å; Y149-Y223 AromaticContact CG-CE1 3.96Å; Y149-Y223 HydrophobicContact CG-CE1 3.96Å |
| 150 | A | 89.3 | Confident | 84.8 | Confident | 13 Ų | 13 | 37 Ų | 37 | 11% | 0.107 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E146 A147 L152 E153 Y154 W203 L204 | E146-A150 WeakPolarHBondContact O-CB 3.19Å; E146-A150 PolarHBondContact O-N 2.87Å; A147-A150 PolarHBondContact O-N 2.99Å; A150-L152 VanDerWaalsContact C-N 3.31Å; A150-L152 PolarHBondContact O-N 3.38Å; A150-E153 PolarHBondContact O-N 3.48Å; A150-Y154 WeakPolarHBondContact O-CB 3.47Å; A150-Y154 PolarHBondContact O-N 3.48Å; A150-W203 HydrophobicContact CB-CZ3 4.33Å; A150-L204 HydrophobicContact CB-CD1 4.44Å; A150-L204 HydrophobicContact CB-CD2 4Å |
| 151 | A | 92.6 | Very high | 86 | Confident | 34 Ų | 34 | 33.8 Ų | 33.8 | 28% | 0.281 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -66.2 | -33.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I112 A147 F148 Y149 G155 | I112-A151 HydrophobicContact CD1-CB 3.75Å; A147-A151 WeakPolarHBondContact O-CB 3.38Å; A147-A151 PolarHBondContact O-N 3.2Å; F148-A151 PolarHBondContact O-N 3.38Å; Y149-A151 VanDerWaalsContact C-N 3.35Å; Y149-A151 PolarHBondContact O-N 2.99Å; A151-G155 PolarHBondContact O-N 2.85Å |
| 152 | L | 91.3 | Very high | 87 | Confident | 10 Ų | 10 | 29.4 Ų | 29.4 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.6 | -49.3 | 174.8 | -179.6 | 66.9 | 0 | 0 | 0 | 111 | T109 I112 R113 L116 F148 Y149 A150 G155 K156 | T109-L152 HydrophobicContact CG2-CD1 4.26Å; I112-L152 HydrophobicContact CB-CD1 4.38Å; I112-L152 HydrophobicContact CG2-CB 3.72Å; I112-L152 HydrophobicContact CG2-CD1 4.02Å; I112-L152 HydrophobicContact CG2-CG 4.45Å; R113-L152 HydrophobicContact CB-CD1 3.93Å; L116-L152 HydrophobicContact CD1-CB 4.4Å; L116-L152 HydrophobicContact CD1-CD2 3.91Å; F148-L152 WeakPolarHBondContact O-CB 3.34Å; F148-L152 PolarHBondContact O-N 2.84Å; Y149-L152 HydrophobicContact CD1-CD2 4.48Å; Y149-L152 WeakPolarHBondContact O-CB 3.19Å; Y149-L152 PolarHBondContact O-N 3.42Å; A150-L152 VanDerWaalsContact C-N 3.31Å; A150-L152 PolarHBondContact O-N 3.38Å; L152-G155 PolarHBondContact O-N 2.72Å; L152-K156 WeakPolarHBondContact O-CG 3.46Å; L152-K156 PolarHBondContact O-N 3.4Å |
| 153 | E | 89.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 178.2 | -66 | -52.2 | 137.5 | 0 | 0 | 111.7 | Y149 A150 G155 K156 D157 I200 Y223 L232 R236 | Y149-E153 PolarHBondContact O-N 2.81Å; A150-E153 PolarHBondContact O-N 3.48Å; E153-G155 PolarHBondContact O-N 3.32Å; E153-K156 PolarHBondContact O-N 2.94Å; E153-K156 IonicContact OE1-NZ 3.78Å; E153-K156 PolarHBondContact OE1-NZ 3.41Å; E153-K156 IonicContact OE2-NZ 2.61Å; E153-D157 PolarHBondContact O-N 3.24Å; E153-I200 HydrophobicContact CB-CD1 4.08Å; E153-Y223 HydrophobicContact CG-CE2 4.27Å; E153-Y223 PolarHBondContact OE1-OH 2.83Å; E153-L232 HydrophobicContact CB-CD1 3.78Å; E153-L232 HydrophobicContact CB-CD2 4.17Å; E153-L232 HydrophobicContact CG-CD1 4.12Å; E153-L232 HydrophobicContact CG-CD2 4.11Å; E153-L232 WeakPolarHBondContact OE2-CD2 3.28Å; E153-R236 IonicContact OE2-NH1 3.32Å; E153-R236 PolarHBondContact OE2-NH1 2.85Å |
| 154 | Y | 93 | Very high | 88.2 | Confident | 49 Ų | 49 | 21.2 Ų | 21.2 | 19% | 0.192 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 171.6 | 176.1 | -115.3 | 0 | 0 | 0 | 112.4 | A150 K156 D157 V158 W193 P196 F197 I200 | A150-Y154 WeakPolarHBondContact O-CB 3.47Å; A150-Y154 PolarHBondContact O-N 3.48Å; Y154-K156 VanDerWaalsContact C-N 3.31Å; Y154-K156 PolarHBondContact O-N 3.41Å; Y154-D157 PolarHBondContact O-N 3.33Å; Y154-V158 HydrophobicContact CD1-CG2 4.29Å; Y154-V158 HydrophobicContact CD2-CG2 3.8Å; Y154-V158 HydrophobicContact CE1-CG2 3.94Å; Y154-V158 HydrophobicContact CE2-CG2 3.37Å; Y154-V158 HydrophobicContact CG-CG2 4.25Å; Y154-V158 VanDerWaalsContact CZ-CG2 3.48Å; Y154-V158 WeakPolarHBondContact O-CB 3.38Å; Y154-V158 VanDerWaalsContact O-CG2 3.26Å; Y154-V158 WeakPolarHBondContact O-CG2 3.42Å; Y154-V158 PolarHBondContact O-N 3.49Å; Y154-W193 HydrophobicContact CE1-CE3 4.34Å; Y154-W193 HydrophobicContact CE1-CZ3 4.35Å; Y154-W193 PolarHBondContact OH-O 3.43Å; Y154-P196 HydrophobicContact CD2-CB 4.25Å; Y154-P196 HydrophobicContact CE2-CB 4.04Å; Y154-F197 HydrophobicContact CE2-CB 3.85Å; Y154-F197 HydrophobicContact CE2-CD2 4.4Å; Y154-I200 HydrophobicContact CD2-CG1 3.95Å; Y154-I200 HydrophobicContact CG-CG1 4.44Å |
| 155 | G | 92.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.5 | -44.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T109 A151 L152 E153 V158 A159 | T109-G155 WeakPolarHBondContact OG1-CA 3.48Å; T109-G155 PolarHBondContact OG1-O 2.91Å; A151-G155 PolarHBondContact O-N 2.85Å; L152-G155 PolarHBondContact O-N 2.72Å; E153-G155 PolarHBondContact O-N 3.32Å; G155-V158 PolarHBondContact O-N 2.86Å; G155-A159 WeakPolarHBondContact O-CB 3.08Å; G155-A159 PolarHBondContact O-N 2.95Å |
| 156 | K | 89.2 | Confident | 88.5 | Confident | 25 Ų | 25 | 19.7 Ų | 19.7 | 11% | 0.109 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | 176.8 | -69.6 | 171.9 | -173 | 165.1 | 0 | 111.6 | T109 L152 E153 Y154 A159 F160 | T109-K156 HydrophobicContact CG2-CG 3.83Å; T109-K156 PolarHBondContact OG1-N 3.42Å; L152-K156 WeakPolarHBondContact O-CG 3.46Å; L152-K156 PolarHBondContact O-N 3.4Å; E153-K156 PolarHBondContact O-N 2.94Å; E153-K156 IonicContact OE1-NZ 3.78Å; E153-K156 PolarHBondContact OE1-NZ 3.41Å; E153-K156 IonicContact OE2-NZ 2.61Å; Y154-K156 VanDerWaalsContact C-N 3.31Å; Y154-K156 PolarHBondContact O-N 3.41Å; K156-A159 PolarHBondContact O-N 3.5Å; K156-F160 WeakPolarHBondContact O-CB 2.99Å; K156-F160 PolarHBondContact O-N 3.29Å |
| 157 | D | 88.7 | Confident | 88.4 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.016 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.3 | -41.1 | -179.4 | -78 | 0.4 | 0 | 0 | 0 | 111.9 | E153 Y154 F160 M161 P196 H199 | E153-D157 PolarHBondContact O-N 3.24Å; Y154-D157 PolarHBondContact O-N 3.33Å; D157-F160 PolarHBondContact O-N 3.1Å; D157-M161 WeakPolarHBondContact O-CB 3.44Å; D157-M161 PolarHBondContact O-N 3.02Å; D157-P196 HydrophobicContact CB-CB 3.94Å; D157-H199 IonicContact OD2-CE1 2.59Å; D157-H199 IonicContact OD2-CG 3.89Å; D157-H199 IonicContact OD2-ND1 3.87Å; D157-H199 PolarHBondContact OD2-ND1 3.22Å |
| 158 | V | 92.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | 175.3 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | A105 Y154 G155 F160 M161 W162 W193 P196 | A105-V158 HydrophobicContact CB-CG1 3.76Å; Y154-V158 HydrophobicContact CD1-CG2 4.29Å; Y154-V158 HydrophobicContact CD2-CG2 3.8Å; Y154-V158 HydrophobicContact CE1-CG2 3.94Å; Y154-V158 HydrophobicContact CE2-CG2 3.37Å; Y154-V158 HydrophobicContact CG-CG2 4.25Å; Y154-V158 VanDerWaalsContact CZ-CG2 3.48Å; Y154-V158 WeakPolarHBondContact O-CB 3.38Å; Y154-V158 VanDerWaalsContact O-CG2 3.26Å; Y154-V158 WeakPolarHBondContact O-CG2 3.42Å; Y154-V158 PolarHBondContact O-N 3.49Å; G155-V158 PolarHBondContact O-N 2.86Å; V158-F160 VanDerWaalsContact C-N 3.27Å; V158-F160 PolarHBondContact O-N 3.45Å; V158-M161 PolarHBondContact O-N 3.27Å; V158-W162 VanDerWaalsContact CG1-CD1 3.49Å; V158-W162 VanDerWaalsContact O-CD1 3.22Å; V158-W162 PolarHBondContact O-N 3.47Å; V158-W193 HydrophobicContact CB-CE3 4.38Å; V158-W193 HydrophobicContact CB-CZ3 4.39Å; V158-W193 HydrophobicContact CG1-CD2 3.88Å; V158-W193 HydrophobicContact CG1-CE3 3.51Å; V158-W193 HydrophobicContact CG1-CH2 3.9Å; V158-W193 HydrophobicContact CG1-CZ2 4.22Å; V158-W193 HydrophobicContact CG1-CZ3 3.56Å; V158-W193 HydrophobicContact CG2-CE3 3.96Å; V158-W193 HydrophobicContact CG2-CZ3 4.28Å; V158-P196 HydrophobicContact CB-CB 4.46Å; V158-P196 HydrophobicContact CB-CG 4.47Å; V158-P196 HydrophobicContact CG2-CB 3.55Å; V158-P196 HydrophobicContact CG2-CG 3.91Å |
| 159 | A | 90.1 | Very high | 87.8 | Confident | 8 Ų | 8 | 18.9 Ų | 18.9 | 7% | 0.066 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -59.1 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | A105 I106 G155 K156 W162 M163 | A105-A159 HydrophobicContact CB-CB 4.14Å; I106-A159 HydrophobicContact CG1-CB 4.12Å; G155-A159 WeakPolarHBondContact O-CB 3.08Å; G155-A159 PolarHBondContact O-N 2.95Å; K156-A159 PolarHBondContact O-N 3.5Å; A159-W162 PolarHBondContact O-N 3.14Å; A159-M163 WeakPolarHBondContact O-CE 3.39Å; A159-M163 WeakPolarHBondContact O-CG 2.89Å; A159-M163 PolarHBondContact O-N 2.92Å |
| 160 | F | 85.5 | Confident | 87.4 | Confident | 7 Ų | 7 | 21.5 Ų | 21.5 | 3% | 0.031 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 176.1 | -171.5 | -106 | 0 | 0 | 0 | 112.9 | K156 D157 V158 W162 M163 F164 Q239 L240 T243 | K156-F160 WeakPolarHBondContact O-CB 2.99Å; K156-F160 PolarHBondContact O-N 3.29Å; D157-F160 PolarHBondContact O-N 3.1Å; V158-F160 VanDerWaalsContact C-N 3.27Å; V158-F160 PolarHBondContact O-N 3.45Å; F160-W162 PolarHBondContact O-N 2.97Å; F160-M163 HydrophobicContact CB-CE 4.37Å; F160-M163 HydrophobicContact CD2-CE 4.01Å; F160-M163 WeakPolarHBondContact O-CB 3.27Å; F160-M163 PolarHBondContact O-N 3.44Å; F160-F164 PolarHBondContact O-N 3.45Å; F160-Q239 HydrophobicContact CE1-CB 4.05Å; F160-L240 HydrophobicContact CD2-CD2 3.78Å; F160-L240 HydrophobicContact CE1-CD2 4.27Å; F160-L240 HydrophobicContact CE1-CG 4.33Å; F160-L240 HydrophobicContact CE2-CD2 3.08Å; F160-L240 HydrophobicContact CE2-CG 3.98Å; F160-L240 HydrophobicContact CZ-CB 4.38Å; F160-L240 HydrophobicContact CZ-CD2 3.37Å; F160-L240 HydrophobicContact CZ-CG 3.82Å; F160-T243 HydrophobicContact CE2-CG2 4.5Å; F160-T243 HydrophobicContact CZ-CG2 3.84Å |
| 161 | M | 88.2 | Confident | 86.7 | Confident | 23 Ų | 23 | 21.6 Ų | 21.6 | 11% | 0.113 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.4 | -42 | 177.3 | -173.3 | 62.2 | 66.2 | 0 | 0 | 112 | D157 V158 M163 F164 I165 A191 I195 P196 | D157-M161 WeakPolarHBondContact O-CB 3.44Å; D157-M161 PolarHBondContact O-N 3.02Å; V158-M161 PolarHBondContact O-N 3.27Å; M161-M163 VanDerWaalsContact C-N 3.34Å; M161-M163 PolarHBondContact O-N 3.32Å; M161-F164 PolarHBondContact O-N 3.49Å; M161-F164 HydrophobicContact SD-CD1 4.36Å; M161-I165 HydrophobicContact CG-CD1 3.95Å; M161-I165 HydrophobicContact CG-CG1 4.48Å; M161-I165 WeakPolarHBondContact O-CB 3.35Å; M161-I165 VanDerWaalsContact O-CG1 3.28Å; M161-I165 WeakPolarHBondContact O-CG1 3.14Å; M161-I165 PolarHBondContact O-N 3.36Å; M161-I165 HydrophobicContact SD-CD1 4.49Å; M161-A191 WeakPolarHBondContact CG-O 3.29Å; M161-I195 HydrophobicContact CE-CB 3.95Å; M161-I195 HydrophobicContact CE-CD1 4.44Å; M161-I195 HydrophobicContact CE-CG2 3.62Å; M161-P196 HydrophobicContact CB-CG 3.74Å; M161-P196 HydrophobicContact CE-CG 4.45Å; M161-P196 HydrophobicContact CG-CG 4.1Å |
| 162 | W | 90.8 | Very high | 86 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 1% | 0.011 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.6 | -35.2 | 176.5 | -81.7 | 110.6 | 0 | 0 | 0 | 113 | L98 Q101 L102 A105 V158 A159 F160 I165 E166 M189 W193 | L98-W162 HydrophobicContact CD1-CE3 3.45Å; L98-W162 VanDerWaalsContact CD1-CE3 3.45Å; L98-W162 HydrophobicContact CD1-CH2 4.5Å; L98-W162 HydrophobicContact CD1-CZ3 3.25Å; Q101-W162 HydrophobicContact CB-CD2 3.73Å; Q101-W162 HydrophobicContact CB-CE3 3.78Å; Q101-W162 HydrophobicContact CB-CH2 3.63Å; Q101-W162 HydrophobicContact CB-CZ2 3.56Å; Q101-W162 HydrophobicContact CB-CZ3 3.76Å; Q101-W162 HydrophobicContact CG-CH2 3.66Å; Q101-W162 HydrophobicContact CG-CZ2 3.79Å; Q101-W162 HydrophobicContact CG-CZ3 4.13Å; L102-W162 HydrophobicContact CB-CB 4.2Å; L102-W162 HydrophobicContact CD1-CB 3.84Å; A105-W162 HydrophobicContact CB-CG 4.47Å; V158-W162 VanDerWaalsContact CG1-CD1 3.49Å; V158-W162 VanDerWaalsContact O-CD1 3.22Å; V158-W162 PolarHBondContact O-N 3.47Å; A159-W162 PolarHBondContact O-N 3.14Å; F160-W162 PolarHBondContact O-N 2.97Å; W162-I165 HydrophobicContact CE3-CB 4.46Å; W162-I165 HydrophobicContact CE3-CD1 4.33Å; W162-I165 HydrophobicContact CE3-CG2 4.35Å; W162-I165 HydrophobicContact CZ3-CD1 4.49Å; W162-I165 HydrophobicContact CZ3-CG2 4.33Å; W162-I165 PolarHBondContact O-N 3.42Å; W162-E166 WeakPolarHBondContact O-CB 3.28Å; W162-E166 PolarHBondContact O-N 3.3Å; W162-M189 HydrophobicContact CH2-SD 3.66Å; W162-M189 HydrophobicContact CZ2-CE 4.45Å; W162-M189 HydrophobicContact CZ2-SD 3.97Å; W162-W193 AromaticContact CE2-CD1 3.89Å; W162-W193 AromaticContact CE2-NE1 3.58Å; W162-W193 AromaticContact CZ2-CD1 3.46Å; W162-W193 VanDerWaalsContact CZ2-CD1 3.46Å; W162-W193 AromaticContact CZ2-NE1 3.33Å; W162-W193 VanDerWaalsContact CZ2-NE1 3.33Å; W162-W193 AromaticContact NE1-CD1 3.7Å; W162-W193 AromaticContact NE1-CD2 4Å; W162-W193 AromaticContact NE1-CE2 3.48Å; W162-W193 AromaticContact NE1-CZ2 3.96Å; W162-W193 AromaticContact NE1-NE1 3.29Å |
| 163 | M | 85.6 | Confident | 85.4 | Confident | 3 Ų | 3 | 24.9 Ų | 24.9 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 172.1 | -74.1 | -173.6 | -71.5 | 0 | 0 | 111.9 | L102 A159 F160 M161 E166 G167 L300 N304 Q335 | L102-M163 HydrophobicContact CD1-CB 4.47Å; L102-M163 HydrophobicContact CD1-CG 3.48Å; L102-M163 VanDerWaalsContact CD1-CG 3.48Å; L102-M163 HydrophobicContact CD2-CG 4.33Å; A159-M163 WeakPolarHBondContact O-CE 3.39Å; A159-M163 WeakPolarHBondContact O-CG 2.89Å; A159-M163 PolarHBondContact O-N 2.92Å; F160-M163 HydrophobicContact CB-CE 4.37Å; F160-M163 HydrophobicContact CD2-CE 4.01Å; F160-M163 WeakPolarHBondContact O-CB 3.27Å; F160-M163 PolarHBondContact O-N 3.44Å; M161-M163 VanDerWaalsContact C-N 3.34Å; M161-M163 PolarHBondContact O-N 3.32Å; M163-E166 PolarHBondContact O-N 2.83Å; M163-G167 PolarHBondContact O-N 3.04Å; M163-G167 VanDerWaalsContact O-N 3.1Å; M163-L300 HydrophobicContact CB-CD2 3.76Å; M163-L300 HydrophobicContact CG-CD2 3.72Å; M163-L300 HydrophobicContact SD-CD2 4.05Å; M163-N304 WeakPolarHBondContact CE-ND2 3.42Å; M163-Q335 PolarHBondContact SD-NE2 3.49Å |
| 164 | F | 83.2 | Confident | 84.4 | Confident | 58 Ų | 58 | 26.8 Ų | 26.8 | 25% | 0.254 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62.3 | -47.4 | 174.9 | 175.1 | -109 | 0 | 0 | 0 | 111.9 | F160 M161 E166 G167 F168 T243 V246 | F160-F164 PolarHBondContact O-N 3.45Å; M161-F164 PolarHBondContact O-N 3.49Å; M161-F164 HydrophobicContact SD-CD1 4.36Å; F164-E166 VanDerWaalsContact C-N 3.28Å; F164-E166 PolarHBondContact O-N 3.01Å; F164-G167 PolarHBondContact O-N 2.99Å; F164-F168 WeakPolarHBondContact O-CB 3.44Å; F164-F168 PolarHBondContact O-N 3.37Å; F164-T243 HydrophobicContact CB-CG2 4.26Å; F164-T243 HydrophobicContact CD2-CG2 3.55Å; F164-T243 HydrophobicContact CE2-CG2 4.36Å; F164-T243 HydrophobicContact CG-CG2 4.33Å; F164-V246 HydrophobicContact CE2-CG1 4.1Å |
| 165 | I | 87 | Confident | 83.3 | Confident | 8 Ų | 8 | 27 Ų | 27 | 4% | 0.041 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.8 | -40.6 | 179.1 | -72.3 | 169.8 | 0 | 0 | 0 | 111.2 | L98 M161 W162 F168 Y169 Y188 A191 | L98-I165 HydrophobicContact CD1-CG2 3.81Å; M161-I165 HydrophobicContact CG-CD1 3.95Å; M161-I165 HydrophobicContact CG-CG1 4.48Å; M161-I165 WeakPolarHBondContact O-CB 3.35Å; M161-I165 VanDerWaalsContact O-CG1 3.28Å; M161-I165 WeakPolarHBondContact O-CG1 3.14Å; M161-I165 PolarHBondContact O-N 3.36Å; M161-I165 HydrophobicContact SD-CD1 4.49Å; W162-I165 HydrophobicContact CE3-CB 4.46Å; W162-I165 HydrophobicContact CE3-CD1 4.33Å; W162-I165 HydrophobicContact CE3-CG2 4.35Å; W162-I165 HydrophobicContact CZ3-CD1 4.49Å; W162-I165 HydrophobicContact CZ3-CG2 4.33Å; W162-I165 PolarHBondContact O-N 3.42Å; I165-F168 PolarHBondContact O-N 3.16Å; I165-Y169 VanDerWaalsContact O-CB 3.28Å; I165-Y169 WeakPolarHBondContact O-CB 3.22Å; I165-Y169 PolarHBondContact O-N 3.07Å; I165-Y188 HydrophobicContact CG2-CD1 3.51Å; I165-Y188 HydrophobicContact CG2-CE1 4.16Å; I165-Y188 HydrophobicContact CG2-CG 4.48Å; I165-A191 HydrophobicContact CD1-CB 4.01Å |
| 166 | E | 84.4 | Confident | 82.2 | Confident | 10 Ų | 10 | 30.8 Ų | 30.8 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.6 | -46.4 | 175.3 | -177 | 178.3 | -127.2 | 0 | 0 | 112.2 | L98 H99 L102 W162 M163 F164 Y169 L170 Y343 | L98-E166 HydrophobicContact CD2-CB 4.31Å; L98-E166 HydrophobicContact CD2-CG 4.49Å; H99-E166 IonicContact CE1-OE1 2.65Å; H99-E166 PolarHBondContact CE1-OE1 3.49Å; H99-E166 IonicContact CG-OE1 2.82Å; H99-E166 IonicContact ND1-OE1 3.54Å; H99-E166 PolarHBondContact ND1-OE1 3.4Å; L102-E166 VanDerWaalsContact CD2-OE2 3.26Å; L102-E166 WeakPolarHBondContact CD2-OE2 3.12Å; W162-E166 WeakPolarHBondContact O-CB 3.28Å; W162-E166 PolarHBondContact O-N 3.3Å; M163-E166 PolarHBondContact O-N 2.83Å; F164-E166 VanDerWaalsContact C-N 3.28Å; F164-E166 PolarHBondContact O-N 3.01Å; E166-Y169 PolarHBondContact O-N 3.5Å; E166-L170 WeakPolarHBondContact O-CB 3.33Å; E166-L170 PolarHBondContact O-N 3.14Å; E166-Y343 WeakPolarHBondContact OE1-CE2 3.31Å; E166-Y343 VanDerWaalsContact OE1-CZ 3.28Å; E166-Y343 PolarHBondContact OE1-OH 3.1Å; E166-Y343 WeakPolarHBondContact OE2-CE2 3.48Å; E166-Y343 PolarHBondContact OE2-OH 3.37Å |
| 167 | G | 79.1 | Confident | 80.8 | Confident | 12 Ų | 12 | 32.4 Ų | 32.4 | 12% | 0.124 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M163 F164 L170 H171 | M163-G167 PolarHBondContact O-N 3.04Å; M163-G167 VanDerWaalsContact O-N 3.1Å; F164-G167 PolarHBondContact O-N 2.99Å; G167-L170 PolarHBondContact O-N 2.81Å; G167-H171 PolarHBondContact O-N 3.34Å |
| 168 | F | 81.9 | Confident | 79.2 | Confident | 71 Ų | 71 | 37.4 Ų | 37.4 | 31% | 0.311 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 177.1 | -179.4 | -110.1 | 0 | 0 | 0 | 112.5 | F164 I165 L170 H171 N172 Y188 F250 | F164-F168 WeakPolarHBondContact O-CB 3.44Å; F164-F168 PolarHBondContact O-N 3.37Å; I165-F168 PolarHBondContact O-N 3.16Å; F168-L170 VanDerWaalsContact C-N 3.35Å; F168-L170 PolarHBondContact O-N 3.42Å; F168-H171 PolarHBondContact O-N 2.89Å; F168-N172 WeakPolarHBondContact CD1-ND2 2.93Å; F168-N172 WeakPolarHBondContact CE1-ND2 3.36Å; F168-N172 WeakPolarHBondContact CZ-ND2 3.14Å; F168-N172 VanDerWaalsContact O-CG 3.29Å; F168-N172 PolarHBondContact O-N 2.91Å; F168-N172 PolarHBondContact O-ND2 3.35Å; F168-Y188 HydrophobicContact CD1-CE1 4.46Å; F168-F250 HydrophobicContact CB-CE2 4.3Å; F168-F250 AromaticContact CD2-CE2 3.86Å; F168-F250 HydrophobicContact CD2-CE2 3.86Å; F168-F250 AromaticContact CD2-CZ 3.77Å; F168-F250 HydrophobicContact CD2-CZ 3.77Å; F168-F250 HydrophobicContact CE2-CZ 4.35Å |
| 169 | Y | 82.5 | Confident | 77.1 | Confident | 37 Ų | 37 | 46.2 Ų | 46.2 | 15% | 0.145 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 175.5 | 173.1 | -106.6 | 0 | 0 | 0 | 111.3 | F94 R95 L98 I165 E166 H171 N172 I173 P183 | F94-Y169 HydrophobicContact CD1-CD2 4.43Å; F94-Y169 AromaticContact CD1-CE2 3.67Å; F94-Y169 HydrophobicContact CD1-CE2 3.67Å; F94-Y169 AromaticContact CD1-CZ 3.72Å; F94-Y169 AromaticContact CE1-CD2 3.82Å; F94-Y169 HydrophobicContact CE1-CD2 3.82Å; F94-Y169 AromaticContact CE1-CE2 3.46Å; F94-Y169 HydrophobicContact CE1-CE2 3.46Å; F94-Y169 VanDerWaalsContact CE1-CE2 3.46Å; F94-Y169 AromaticContact CE1-CZ 3.95Å; R95-Y169 HydrophobicContact CB-CE1 4.25Å; R95-Y169 HydrophobicContact CG-CE1 4.33Å; L98-Y169 HydrophobicContact CD2-CD1 3.71Å; L98-Y169 HydrophobicContact CD2-CG 3.83Å; I165-Y169 VanDerWaalsContact O-CB 3.28Å; I165-Y169 WeakPolarHBondContact O-CB 3.22Å; I165-Y169 PolarHBondContact O-N 3.07Å; E166-Y169 PolarHBondContact O-N 3.5Å; Y169-H171 PolarHBondContact O-N 3.25Å; Y169-N172 PolarHBondContact O-N 2.97Å; Y169-I173 WeakPolarHBondContact O-CG2 3.47Å; Y169-I173 PolarHBondContact O-N 3.2Å; Y169-P183 HydrophobicContact CE2-CG 4.24Å |
| 170 | L | 78.2 | Confident | 75.5 | Confident | 76 Ų | 76 | 52.3 Ų | 52.3 | 40% | 0.398 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 177.1 | -176.8 | 65.7 | 0 | 0 | 0 | 112.2 | E166 G167 F168 I173 V174 I254 | E166-L170 WeakPolarHBondContact O-CB 3.33Å; E166-L170 PolarHBondContact O-N 3.14Å; G167-L170 PolarHBondContact O-N 2.81Å; F168-L170 VanDerWaalsContact C-N 3.35Å; F168-L170 PolarHBondContact O-N 3.42Å; L170-I173 HydrophobicContact CD1-CG2 4.33Å; L170-I173 VanDerWaalsContact O-CG2 3.28Å; L170-I173 WeakPolarHBondContact O-CG2 3.21Å; L170-V174 HydrophobicContact CD1-CG2 4.32Å; L170-V174 VanDerWaalsContact O-CG2 3.28Å; L170-V174 WeakPolarHBondContact O-CG2 3.23Å; L170-V174 PolarHBondContact O-N 2.95Å; L170-I254 HydrophobicContact CD2-CD1 4.4Å; L170-I254 HydrophobicContact CG-CD1 4.27Å |
| 171 | H | 74.1 | Confident | 74.2 | Confident | 15 Ų | 15 | 55 Ų | 55 | 7% | 0.069 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -49 | 175.2 | 176.1 | -96.8 | 0 | 0 | 0 | 111.7 | G167 F168 Y169 I173 V174 V175 F250 N253 | G167-H171 PolarHBondContact O-N 3.34Å; F168-H171 PolarHBondContact O-N 2.89Å; Y169-H171 PolarHBondContact O-N 3.25Å; H171-I173 VanDerWaalsContact C-N 3.33Å; H171-I173 PolarHBondContact O-N 3.34Å; H171-V174 PolarHBondContact O-N 3.49Å; H171-V175 WeakPolarHBondContact O-CB 3.47Å; H171-V175 PolarHBondContact O-N 3.03Å; H171-F250 HydrophobicContact CB-CB 3.89Å; H171-F250 HydrophobicContact CB-CD1 3.99Å; H171-F250 HydrophobicContact CB-CD2 3.54Å; H171-F250 HydrophobicContact CB-CE1 4.35Å; H171-F250 HydrophobicContact CB-CE2 3.96Å; H171-F250 HydrophobicContact CB-CG 3.54Å; H171-F250 HydrophobicContact CB-CZ 4.33Å; H171-F250 VanDerWaalsContact CD2-CA 3.47Å; H171-F250 WeakPolarHBondContact CD2-CA 3.18Å; H171-F250 VanDerWaalsContact CD2-CB 3.45Å; H171-F250 WeakPolarHBondContact CD2-CB 3.37Å; H171-F250 AromaticContact CD2-CD1 3.16Å; H171-F250 WeakPolarHBondContact CD2-CD1 3.45Å; H171-F250 AromaticContact CD2-CE1 3.9Å; H171-F250 AromaticContact CD2-CG 3.37Å; H171-F250 WeakPolarHBondContact CD2-CG 3.26Å; H171-F250 AromaticContact CE1-CD1 3.59Å; H171-F250 AromaticContact CE1-CE1 3.58Å; H171-F250 AromaticContact CG-CD1 3.29Å; H171-F250 AromaticContact CG-CD2 3.83Å; H171-F250 AromaticContact CG-CE1 3.66Å; H171-F250 AromaticContact CG-CG 3.37Å; H171-F250 AromaticContact ND1-CD1 3.59Å; H171-F250 AromaticContact ND1-CE1 3.48Å; H171-F250 WeakPolarHBondContact ND1-CE1 3.08Å; H171-F250 AromaticContact ND1-CZ 3.92Å; H171-F250 AromaticContact NE2-CD1 3.34Å; H171-F250 VanDerWaalsContact NE2-CD1 3.34Å; H171-F250 WeakPolarHBondContact NE2-CD1 3.37Å; H171-F250 AromaticContact NE2-CE1 3.84Å; H171-N253 PolarHBondContact NE2-ND2 2.88Å |
| 172 | N | 78.4 | Confident | 73 | Confident | 30 Ų | 30 | 62.9 Ų | 62.9 | 16% | 0.16 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -60.6 | -43.7 | -178.7 | -70.5 | -14.7 | 0 | 0 | 0 | 111.4 | F168 Y169 V174 V176 T177 | F168-N172 WeakPolarHBondContact CD1-ND2 2.93Å; F168-N172 WeakPolarHBondContact CE1-ND2 3.36Å; F168-N172 WeakPolarHBondContact CZ-ND2 3.14Å; F168-N172 VanDerWaalsContact O-CG 3.29Å; F168-N172 PolarHBondContact O-N 2.91Å; F168-N172 PolarHBondContact O-ND2 3.35Å; Y169-N172 PolarHBondContact O-N 2.97Å; N172-V174 VanDerWaalsContact C-N 3.31Å; N172-V174 PolarHBondContact O-N 3.32Å; N172-V176 WeakPolarHBondContact O-CA 3.4Å; N172-V176 WeakPolarHBondContact O-CB 3.36Å; N172-V176 PolarHBondContact O-N 3.15Å; N172-T177 WeakPolarHBondContact O-CG2 3.31Å; N172-T177 PolarHBondContact O-N 3.46Å |
| 173 | I | 77.6 | Confident | 71.9 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 43% | 0.426 | 36% | 0.357 | S | S | . | . | I | π-helix | trans | -65.4 | -34.2 | -179.6 | -164.2 | 172.3 | 0 | 0 | 0 | 113.1 | Y169 L170 H171 T177 | Y169-I173 WeakPolarHBondContact O-CG2 3.47Å; Y169-I173 PolarHBondContact O-N 3.2Å; L170-I173 HydrophobicContact CD1-CG2 4.33Å; L170-I173 VanDerWaalsContact O-CG2 3.28Å; L170-I173 WeakPolarHBondContact O-CG2 3.21Å; H171-I173 VanDerWaalsContact C-N 3.33Å; H171-I173 PolarHBondContact O-N 3.34Å; I173-T177 VanDerWaalsContact CA-OG1 3.25Å; I173-T177 WeakPolarHBondContact CA-OG1 3.49Å; I173-T177 PolarHBondContact O-OG1 3.4Å |
| 174 | V | 70 | Confident | 71.6 | Confident | 41 Ų | 41 | 72.6 Ų | 72.6 | 25% | 0.248 | 39% | 0.389 | C | S | . | . | I | π-helix | trans | -83.2 | -37.9 | -177.9 | 174.5 | 0 | 0 | 0 | 0 | 112.4 | L170 H171 N172 I254 V257 | L170-V174 HydrophobicContact CD1-CG2 4.32Å; L170-V174 VanDerWaalsContact O-CG2 3.28Å; L170-V174 WeakPolarHBondContact O-CG2 3.23Å; L170-V174 PolarHBondContact O-N 2.95Å; H171-V174 PolarHBondContact O-N 3.49Å; N172-V174 VanDerWaalsContact C-N 3.31Å; N172-V174 PolarHBondContact O-N 3.32Å; V174-I254 HydrophobicContact CB-CG1 4.13Å; V174-I254 HydrophobicContact CG1-CB 4.39Å; V174-I254 HydrophobicContact CG1-CG1 3.98Å; V174-I254 HydrophobicContact CG1-CG2 4.28Å; V174-V257 HydrophobicContact CG1-CB 4.44Å; V174-V257 HydrophobicContact CG1-CG1 4.23Å |
| 175 | V | 70.4 | Confident | 71.5 | Confident | 53 Ų | 53 | 74.3 Ų | 74.3 | 32% | 0.321 | 40% | 0.396 | S | S | . | . | I | π-helix | trans | -103.6 | -40 | -168.6 | 179.7 | 0 | 0 | 0 | 0 | 112.7 | H171 N253 V257 | H171-V175 WeakPolarHBondContact O-CB 3.47Å; H171-V175 PolarHBondContact O-N 3.03Å; V175-N253 HydrophobicContact CG2-CB 4.04Å; V175-V257 HydrophobicContact CG2-CG2 4.47Å |
| 176 | V | 68.2 | Low | 71.4 | Confident | 81 Ų | 81 | 83 Ų | 83 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | I | π-helix | trans | -104 | -42.9 | -166.9 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | N172 V178 | N172-V176 WeakPolarHBondContact O-CA 3.4Å; N172-V176 WeakPolarHBondContact O-CB 3.36Å; N172-V176 PolarHBondContact O-N 3.15Å; V176-V178 VanDerWaalsContact C-N 3.25Å; V176-V178 PolarHBondContact O-N 2.94Å |
| 177 | T | 59.5 | Low | 71.6 | Confident | 58 Ų | 58 | 89.3 Ų | 89.3 | 36% | 0.356 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 44.3 | -165.1 | 70.7 | 0 | 0 | 0 | 0 | 114.6 | N172 I173 F179 | N172-T177 WeakPolarHBondContact O-CG2 3.31Å; N172-T177 PolarHBondContact O-N 3.46Å; I173-T177 VanDerWaalsContact CA-OG1 3.25Å; I173-T177 WeakPolarHBondContact CA-OG1 3.49Å; I173-T177 PolarHBondContact O-OG1 3.4Å; T177-F179 PolarHBondContact O-N 3.1Å |
| 178 | V | 56.1 | Low | 72.1 | Confident | 109 Ų | 109 | 90.7 Ų | 90.7 | 66% | 0.661 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -14.3 | 154.8 | -175.4 | 0 | 0 | 0 | 0 | 110 | V176 | V176-V178 VanDerWaalsContact C-N 3.25Å; V176-V178 PolarHBondContact O-N 2.94Å |
| 179 | F | 48 | Very low | 72.5 | Confident | 184 Ų | 184 | 89.6 Ų | 89.6 | 81% | 0.807 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -138.9 | 16.3 | -167.7 | -67.8 | -72.3 | 0 | 0 | 0 | 118.6 | T177 | T177-F179 PolarHBondContact O-N 3.1Š|
| 180 | D | 56 | Low | 72.9 | Confident | 136 Ų | 136 | 92.4 Ų | 92.4 | 73% | 0.727 | 47% | 0.471 | S | S | * | . | trans | -137.4 | 139.6 | -178.5 | -111.8 | -29.6 | 0 | 0 | 0 | 115.1 | ||||
| 181 | G | 58.9 | Low | 73.6 | Confident | 64 Ų | 64 | 90.1 Ų | 90.1 | 66% | 0.66 | 46% | 0.463 | S | S | * | . | trans | -64.9 | 177.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 182 | E | 63 | Low | 74.4 | Confident | 189 Ų | 189 | 89.4 Ų | 89.4 | 88% | 0.883 | 46% | 0.46 | S | S | * | . | trans | -53.3 | 124.9 | -172.3 | -67.6 | -164.1 | 162.5 | 0 | 0 | 112.7 | K184 | E182-K184 PolarHBondContact O-N 3.29Š| ||
| 183 | P | 68.9 | Low | 75.2 | Confident | 55 Ų | 55 | 90.7 Ų | 90.7 | 36% | 0.357 | 46% | 0.462 | S | S | . | . | trans | -61.5 | 126.6 | 179.2 | 19.6 | -28.6 | 0 | 0 | 0 | 111.1 | F94 Y169 K185 Y188 | F94-P183 HydrophobicContact CD1-CG 4.2Å; F94-P183 HydrophobicContact CE1-CB 4.44Å; F94-P183 HydrophobicContact CE1-CG 3.86Å; F94-P183 HydrophobicContact CZ-CB 4.4Å; F94-P183 HydrophobicContact CZ-CG 4.2Å; Y169-P183 HydrophobicContact CE2-CG 4.24Å; P183-K185 PolarHBondContact O-N 3.41Å; P183-Y188 HydrophobicContact CB-CE2 3.61Å | ||
| 184 | K | 77.5 | Confident | 76 | Confident | 155 Ų | 155 | 87.4 Ų | 87.4 | 67% | 0.674 | 45% | 0.449 | S | S | * | . | trans | -64.6 | 107.5 | 176.1 | -66.1 | -174 | 179.9 | -176.4 | 0 | 110.6 | E182 W186 K187 | E182-K184 PolarHBondContact O-N 3.29Å; K184-W186 PolarHBondContact O-N 3.43Å; K184-W186 VanDerWaalsContact O-N 3.11Å; K184-K187 HydrophobicContact CB-CG 4.43Å; K184-K187 PolarHBondContact O-N 3Å; K184-K187 VanDerWaalsContact O-N 3.14Å | ||
| 185 | K | 81 | Confident | 77 | Confident | 93 Ų | 93 | 89.6 Ų | 89.6 | 40% | 0.404 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -48.7 | -39.4 | -178.8 | -178.7 | 178 | 175.6 | -179.2 | 0 | 114.6 | F94 Q97 P183 K187 Y188 M189 | F94-K185 HydrophobicContact CD2-CB 4.35Å; F94-K185 HydrophobicContact CE2-CB 3.78Å; F94-K185 HydrophobicContact CE2-CG 3.98Å; Q97-K185 VanDerWaalsContact OE1-CE 3.26Å; P183-K185 PolarHBondContact O-N 3.41Å; K185-K187 VanDerWaalsContact C-N 3.3Å; K185-K187 PolarHBondContact O-N 2.89Å; K185-Y188 PolarHBondContact O-N 3.48Å; K185-M189 HydrophobicContact CG-CG 4.25Å; K185-M189 PolarHBondContact O-N 3.15Å; K185-M189 VanDerWaalsContact O-N 3.16Å |
| 186 | W | 86.4 | Confident | 78 | Confident | 190 Ų | 190 | 87.2 Ų | 87.2 | 72% | 0.72 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -57.3 | -39.5 | -178 | 176.6 | -104.8 | 0 | 0 | 0 | 113.5 | K184 Y188 M189 L190 | K184-W186 PolarHBondContact O-N 3.43Å; K184-W186 VanDerWaalsContact O-N 3.11Å; W186-Y188 VanDerWaalsContact C-N 3.3Å; W186-Y188 PolarHBondContact O-N 3.49Å; W186-M189 PolarHBondContact O-N 2.94Å; W186-L190 PolarHBondContact O-N 3.36Å |
| 187 | K | 88.1 | Confident | 79.2 | Confident | 144 Ų | 144 | 88.7 Ų | 88.7 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.3 | -41.3 | -179.3 | -66.3 | -175.1 | 176.7 | -175.1 | 0 | 111.6 | K184 K185 A191 | K184-K187 HydrophobicContact CB-CG 4.43Å; K184-K187 PolarHBondContact O-N 3Å; K184-K187 VanDerWaalsContact O-N 3.14Å; K185-K187 VanDerWaalsContact C-N 3.3Å; K185-K187 PolarHBondContact O-N 2.89Å; K187-A191 WeakPolarHBondContact O-CB 3.47Å; K187-A191 PolarHBondContact O-N 3.06Å |
| 188 | Y | 88.6 | Confident | 80.8 | Confident | 41 Ų | 41 | 92.4 Ų | 92.4 | 16% | 0.161 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -69 | -39.7 | 177.7 | -69.1 | -82.7 | 0 | 0 | 0 | 112.2 | F94 I165 F168 P183 K185 W186 A191 G192 | F94-Y188 AromaticContact CZ-CD2 3.89Å; F94-Y188 HydrophobicContact CZ-CD2 3.89Å; F94-Y188 HydrophobicContact CZ-CE2 4.22Å; F94-Y188 HydrophobicContact CZ-CG 4.35Å; I165-Y188 HydrophobicContact CG2-CD1 3.51Å; I165-Y188 HydrophobicContact CG2-CE1 4.16Å; I165-Y188 HydrophobicContact CG2-CG 4.48Å; F168-Y188 HydrophobicContact CD1-CE1 4.46Å; P183-Y188 HydrophobicContact CB-CE2 3.61Å; K185-Y188 PolarHBondContact O-N 3.48Å; W186-Y188 VanDerWaalsContact C-N 3.3Å; W186-Y188 PolarHBondContact O-N 3.49Å; Y188-A191 PolarHBondContact O-N 2.85Å; Y188-G192 PolarHBondContact O-N 3.38Å |
| 189 | M | 90.8 | Very high | 82.4 | Confident | 47 Ų | 47 | 88.3 Ų | 88.3 | 23% | 0.232 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.7 | -67.8 | -65.2 | -57.1 | 0 | 0 | 112.1 | Q101 W162 K185 W186 G192 W193 | Q101-M189 HydrophobicContact CG-CE 4.46Å; Q101-M189 HydrophobicContact CG-SD 3.83Å; W162-M189 HydrophobicContact CH2-SD 3.66Å; W162-M189 HydrophobicContact CZ2-CE 4.45Å; W162-M189 HydrophobicContact CZ2-SD 3.97Å; K185-M189 HydrophobicContact CG-CG 4.25Å; K185-M189 PolarHBondContact O-N 3.15Å; K185-M189 VanDerWaalsContact O-N 3.16Å; W186-M189 PolarHBondContact O-N 2.94Å; M189-G192 PolarHBondContact O-N 3.36Å; M189-W193 PolarHBondContact O-N 3.44Å; M189-W193 VanDerWaalsContact O-N 3.13Å |
| 190 | L | 92.2 | Very high | 84.5 | Confident | 96 Ų | 96 | 80 Ų | 80 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | I | π-helix | trans | -65.5 | -40.2 | 177.9 | -176.9 | 63.6 | 0 | 0 | 0 | 111.5 | W186 G194 | W186-L190 PolarHBondContact O-N 3.36Å; L190-G194 WeakPolarHBondContact O-CA 3.43Å; L190-G194 PolarHBondContact O-N 3.22Å |
| 191 | A | 91.7 | Very high | 86.1 | Confident | 29 Ų | 29 | 75.1 Ų | 75.1 | 24% | 0.24 | 37% | 0.37 | C | S | . | . | I | π-helix | trans | -64.8 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M161 I165 K187 Y188 I195 | M161-A191 WeakPolarHBondContact CG-O 3.29Å; I165-A191 HydrophobicContact CD1-CB 4.01Å; K187-A191 WeakPolarHBondContact O-CB 3.47Å; K187-A191 PolarHBondContact O-N 3.06Å; Y188-A191 PolarHBondContact O-N 2.85Å; A191-I195 HydrophobicContact CB-CD1 4.1Å; A191-I195 WeakPolarHBondContact O-CB 3.35Å |
| 192 | G | 92 | Very high | 87.7 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -66.5 | -41.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y188 M189 P196 | Y188-G192 PolarHBondContact O-N 3.38Å; M189-G192 PolarHBondContact O-N 3.36Å; G192-P196 WeakPolarHBondContact O-CD 3.35Å; G192-P196 WeakPolarHBondContact O-CG 3.37Å |
| 193 | W | 94.8 | Very high | 88.9 | Confident | 56 Ų | 56 | 68 Ų | 68 | 21% | 0.212 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -102.2 | -36.1 | -178.3 | -66.7 | 98.9 | 0 | 0 | 0 | 113 | I104 L108 Y154 V158 W162 M189 F197 | I104-W193 HydrophobicContact CG2-CH2 4.12Å; I104-W193 HydrophobicContact CG2-CZ2 4.08Å; L108-W193 HydrophobicContact CD2-CZ3 4.18Å; Y154-W193 HydrophobicContact CE1-CE3 4.34Å; Y154-W193 HydrophobicContact CE1-CZ3 4.35Å; Y154-W193 PolarHBondContact OH-O 3.43Å; V158-W193 HydrophobicContact CB-CE3 4.38Å; V158-W193 HydrophobicContact CB-CZ3 4.39Å; V158-W193 HydrophobicContact CG1-CD2 3.88Å; V158-W193 HydrophobicContact CG1-CE3 3.51Å; V158-W193 HydrophobicContact CG1-CH2 3.9Å; V158-W193 HydrophobicContact CG1-CZ2 4.22Å; V158-W193 HydrophobicContact CG1-CZ3 3.56Å; V158-W193 HydrophobicContact CG2-CE3 3.96Å; V158-W193 HydrophobicContact CG2-CZ3 4.28Å; W162-W193 AromaticContact CE2-CD1 3.89Å; W162-W193 AromaticContact CE2-NE1 3.58Å; W162-W193 AromaticContact CZ2-CD1 3.46Å; W162-W193 VanDerWaalsContact CZ2-CD1 3.46Å; W162-W193 AromaticContact CZ2-NE1 3.33Å; W162-W193 VanDerWaalsContact CZ2-NE1 3.33Å; W162-W193 AromaticContact NE1-CD1 3.7Å; W162-W193 AromaticContact NE1-CD2 4Å; W162-W193 AromaticContact NE1-CE2 3.48Å; W162-W193 AromaticContact NE1-CZ2 3.96Å; W162-W193 AromaticContact NE1-NE1 3.29Å; M189-W193 PolarHBondContact O-N 3.44Å; M189-W193 VanDerWaalsContact O-N 3.13Å; W193-F197 WeakPolarHBondContact O-CB 3.31Å; W193-F197 PolarHBondContact O-N 2.77Å |
| 194 | G | 94 | Very high | 89.7 | Confident | 14 Ų | 14 | 67.8 Ų | 67.8 | 14% | 0.144 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -73.9 | -47 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L190 F197 F198 | L190-G194 WeakPolarHBondContact O-CA 3.43Å; L190-G194 PolarHBondContact O-N 3.22Å; G194-F197 WeakPolarHBondContact O-CB 3.49Å; G194-F197 PolarHBondContact O-N 2.76Å; G194-F197 VanDerWaalsContact O-N 3.1Å; G194-F198 WeakPolarHBondContact O-CD2 3.4Å; G194-F198 PolarHBondContact O-N 3.06Å |
| 195 | I | 91.1 | Very high | 90.2 | Very high | 87 Ų | 87 | 65.5 Ų | 65.5 | 45% | 0.446 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | -179.2 | -61.5 | 170.5 | 0 | 0 | 0 | 111.2 | M161 A191 F197 F198 H199 | M161-I195 HydrophobicContact CE-CB 3.95Å; M161-I195 HydrophobicContact CE-CD1 4.44Å; M161-I195 HydrophobicContact CE-CG2 3.62Å; A191-I195 HydrophobicContact CB-CD1 4.1Å; A191-I195 WeakPolarHBondContact O-CB 3.35Å; I195-F197 VanDerWaalsContact C-N 3.3Å; I195-F197 PolarHBondContact O-N 3.32Å; I195-F198 PolarHBondContact O-N 2.87Å; I195-H199 PolarHBondContact O-N 3.3Å; I195-H199 VanDerWaalsContact O-N 3.13Å |
| 196 | P | 92 | Very high | 90.5 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.3 | -38.1 | 172.6 | -28.8 | 39.2 | 0 | 0 | 0 | 113.7 | Y154 D157 V158 M161 G192 H199 I200 | Y154-P196 HydrophobicContact CD2-CB 4.25Å; Y154-P196 HydrophobicContact CE2-CB 4.04Å; D157-P196 HydrophobicContact CB-CB 3.94Å; V158-P196 HydrophobicContact CB-CB 4.46Å; V158-P196 HydrophobicContact CB-CG 4.47Å; V158-P196 HydrophobicContact CG2-CB 3.55Å; V158-P196 HydrophobicContact CG2-CG 3.91Å; M161-P196 HydrophobicContact CB-CG 3.74Å; M161-P196 HydrophobicContact CE-CG 4.45Å; M161-P196 HydrophobicContact CG-CG 4.1Å; G192-P196 WeakPolarHBondContact O-CD 3.35Å; G192-P196 WeakPolarHBondContact O-CG 3.37Å; P196-H199 WeakPolarHBondContact O-CB 3.5Å; P196-H199 PolarHBondContact O-N 3.09Å; P196-I200 WeakPolarHBondContact O-CG1 3.15Å; P196-I200 PolarHBondContact O-N 3.08Å |
| 197 | F | 93.4 | Very high | 90.3 | Very high | 112 Ų | 112 | 54.8 Ų | 54.8 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 179.5 | 178.4 | -99.3 | 0 | 0 | 0 | 111.4 | Y154 W193 G194 I195 H199 I200 C201 | Y154-F197 HydrophobicContact CE2-CB 3.85Å; Y154-F197 HydrophobicContact CE2-CD2 4.4Å; W193-F197 WeakPolarHBondContact O-CB 3.31Å; W193-F197 PolarHBondContact O-N 2.77Å; G194-F197 WeakPolarHBondContact O-CB 3.49Å; G194-F197 PolarHBondContact O-N 2.76Å; G194-F197 VanDerWaalsContact O-N 3.1Å; I195-F197 VanDerWaalsContact C-N 3.3Å; I195-F197 PolarHBondContact O-N 3.32Å; F197-H199 VanDerWaalsContact C-N 3.3Å; F197-H199 PolarHBondContact O-N 2.72Å; F197-I200 PolarHBondContact O-N 3.19Å; F197-C201 VanDerWaalsContact CE1-SG 3.59Å; F197-C201 VanDerWaalsContact CZ-SG 3.55Å; F197-C201 WeakPolarHBondContact O-CB 3.26Å; F197-C201 PolarHBondContact O-N 2.97Å; F197-C201 PolarHBondContact O-SG 3.41Å |
| 198 | F | 92.3 | Very high | 89.9 | Confident | 136 Ų | 136 | 52.8 Ų | 52.8 | 60% | 0.596 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.1 | -41 | 175.8 | -75.1 | -68 | 0 | 0 | 0 | 112.2 | G194 I195 C201 I202 | G194-F198 WeakPolarHBondContact O-CD2 3.4Å; G194-F198 PolarHBondContact O-N 3.06Å; I195-F198 PolarHBondContact O-N 2.87Å; F198-C201 PolarHBondContact O-N 3.29Å; F198-I202 VanDerWaalsContact O-CG1 3.31Å; F198-I202 WeakPolarHBondContact O-CG1 3.45Å; F198-I202 PolarHBondContact O-N 3.29Å; F198-I202 VanDerWaalsContact O-N 3.08Å |
| 199 | H | 90.3 | Very high | 89.7 | Confident | 22 Ų | 22 | 55.7 Ų | 55.7 | 10% | 0.102 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 177.3 | -178.1 | -128.7 | 0 | 0 | 0 | 112.1 | D157 I195 P196 F197 I202 W203 I231 V235 | D157-H199 IonicContact OD2-CE1 2.59Å; D157-H199 IonicContact OD2-CG 3.89Å; D157-H199 IonicContact OD2-ND1 3.87Å; D157-H199 PolarHBondContact OD2-ND1 3.22Å; I195-H199 PolarHBondContact O-N 3.3Å; I195-H199 VanDerWaalsContact O-N 3.13Å; P196-H199 WeakPolarHBondContact O-CB 3.5Å; P196-H199 PolarHBondContact O-N 3.09Å; F197-H199 VanDerWaalsContact C-N 3.3Å; F197-H199 PolarHBondContact O-N 2.72Å; H199-I202 PolarHBondContact O-N 3.17Å; H199-W203 PolarHBondContact O-N 3.36Å; H199-I231 PolarHBondContact NE2-O 3.45Å; H199-V235 WeakPolarHBondContact NE2-CB 3.24Å; H199-V235 VanDerWaalsContact NE2-CG1 3.27Å; H199-V235 WeakPolarHBondContact NE2-CG1 3.49Å |
| 200 | I | 90.8 | Very high | 89.1 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.046 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 178.1 | -64.7 | -62.3 | 0 | 0 | 0 | 111.9 | E153 Y154 P196 F197 I202 W203 L204 L232 | E153-I200 HydrophobicContact CB-CD1 4.08Å; Y154-I200 HydrophobicContact CD2-CG1 3.95Å; Y154-I200 HydrophobicContact CG-CG1 4.44Å; P196-I200 WeakPolarHBondContact O-CG1 3.15Å; P196-I200 PolarHBondContact O-N 3.08Å; F197-I200 PolarHBondContact O-N 3.19Å; I200-I202 VanDerWaalsContact C-N 3.31Å; I200-I202 PolarHBondContact O-N 2.76Å; I200-W203 PolarHBondContact O-N 2.83Å; I200-L204 HydrophobicContact CG2-CD1 3.85Å; I200-L204 HydrophobicContact CG2-CG 4.14Å; I200-L204 WeakPolarHBondContact O-CB 3.48Å; I200-L204 WeakPolarHBondContact O-CG 3.43Å; I200-L204 PolarHBondContact O-N 3.06Å; I200-L232 HydrophobicContact CD1-CD1 3.47Å; I200-L232 VanDerWaalsContact CD1-CD1 3.47Å; I200-L232 HydrophobicContact CD1-CG 4.41Å |
| 201 | C | 91.3 | Very high | 88.2 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 24% | 0.236 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 176.1 | -72.5 | 0 | 0 | 0 | 0 | 112 | F197 F198 L204 I205 | F197-C201 VanDerWaalsContact CE1-SG 3.59Å; F197-C201 VanDerWaalsContact CZ-SG 3.55Å; F197-C201 WeakPolarHBondContact O-CB 3.26Å; F197-C201 PolarHBondContact O-N 2.97Å; F197-C201 PolarHBondContact O-SG 3.41Å; F198-C201 PolarHBondContact O-N 3.29Å; C201-L204 PolarHBondContact O-N 3.28Å; C201-I205 WeakPolarHBondContact O-CB 3.23Å; C201-I205 WeakPolarHBondContact O-CD1 3.33Å; C201-I205 WeakPolarHBondContact O-CG1 3.42Å; C201-I205 PolarHBondContact O-N 3.49Å |
| 202 | I | 91 | Very high | 87 | Confident | 99 Ų | 99 | 61.2 Ų | 61.2 | 51% | 0.508 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.8 | -48.2 | 176.7 | -68 | 163.4 | 0 | 0 | 0 | 110.3 | F198 H199 I200 I205 V206 | F198-I202 VanDerWaalsContact O-CG1 3.31Å; F198-I202 WeakPolarHBondContact O-CG1 3.45Å; F198-I202 PolarHBondContact O-N 3.29Å; F198-I202 VanDerWaalsContact O-N 3.08Å; H199-I202 PolarHBondContact O-N 3.17Å; I200-I202 VanDerWaalsContact C-N 3.31Å; I200-I202 PolarHBondContact O-N 2.76Å; I202-I205 PolarHBondContact O-N 2.83Å; I202-V206 WeakPolarHBondContact O-CG2 3.16Å; I202-V206 PolarHBondContact O-N 2.96Å; I202-V206 VanDerWaalsContact O-N 3.13Å |
| 203 | W | 88.5 | Confident | 85.6 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 1% | 0.011 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.2 | -46.6 | 177.3 | 171.4 | 73.2 | 0 | 0 | 0 | 112.1 | A150 H199 I200 I205 V206 L207 L220 I231 L232 | A150-W203 HydrophobicContact CB-CZ3 4.33Å; H199-W203 PolarHBondContact O-N 3.36Å; I200-W203 PolarHBondContact O-N 2.83Å; W203-I205 PolarHBondContact O-N 2.89Å; W203-V206 PolarHBondContact O-N 3.13Å; W203-L207 HydrophobicContact CH2-CD2 3.97Å; W203-L207 HydrophobicContact CZ2-CD2 3.84Å; W203-L207 VanDerWaalsContact O-CB 3.3Å; W203-L207 WeakPolarHBondContact O-CB 3.3Å; W203-L207 PolarHBondContact O-N 3.39Å; W203-L220 HydrophobicContact CH2-CD1 4.5Å; W203-I231 HydrophobicContact CB-CG2 4.5Å; W203-L232 HydrophobicContact CB-CD1 4.38Å; W203-L232 HydrophobicContact CD2-CD1 3.71Å; W203-L232 HydrophobicContact CE3-CD1 3.87Å; W203-L232 HydrophobicContact CG-CB 4.17Å; W203-L232 HydrophobicContact CG-CD1 3.93Å; W203-L232 HydrophobicContact CZ3-CD1 4.45Å |
| 204 | L | 86.6 | Confident | 84 | Confident | 52 Ų | 52 | 64.9 Ų | 64.9 | 27% | 0.272 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 177.9 | -74.7 | 175.6 | 0 | 0 | 0 | 112.5 | A150 I200 C201 L207 L208 | A150-L204 HydrophobicContact CB-CD1 4.44Å; A150-L204 HydrophobicContact CB-CD2 4Å; I200-L204 HydrophobicContact CG2-CD1 3.85Å; I200-L204 HydrophobicContact CG2-CG 4.14Å; I200-L204 WeakPolarHBondContact O-CB 3.48Å; I200-L204 WeakPolarHBondContact O-CG 3.43Å; I200-L204 PolarHBondContact O-N 3.06Å; C201-L204 PolarHBondContact O-N 3.28Å; L204-L207 PolarHBondContact O-N 3.26Å; L204-L208 WeakPolarHBondContact O-CB 3.24Å; L204-L208 WeakPolarHBondContact O-CG 3.42Å; L204-L208 PolarHBondContact O-N 3.25Å |
| 205 | I | 87.9 | Confident | 82.2 | Confident | 106 Ų | 106 | 68.8 Ų | 68.8 | 54% | 0.544 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 178.8 | -70.6 | 163.3 | 0 | 0 | 0 | 110.8 | C201 I202 W203 L207 L208 T209 | C201-I205 WeakPolarHBondContact O-CB 3.23Å; C201-I205 WeakPolarHBondContact O-CD1 3.33Å; C201-I205 WeakPolarHBondContact O-CG1 3.42Å; C201-I205 PolarHBondContact O-N 3.49Å; I202-I205 PolarHBondContact O-N 2.83Å; W203-I205 PolarHBondContact O-N 2.89Å; I205-L207 VanDerWaalsContact C-N 3.35Å; I205-L208 PolarHBondContact O-N 3.02Å; I205-T209 WeakPolarHBondContact O-CB 3.28Å; I205-T209 PolarHBondContact O-N 3.26Å; I205-T209 PolarHBondContact O-OG1 3.44Å |
| 206 | V | 86 | Confident | 80.6 | Confident | 48 Ų | 48 | 67.1 Ų | 67.1 | 29% | 0.291 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 178.3 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | I202 W203 T209 K210 I231 | I202-V206 WeakPolarHBondContact O-CG2 3.16Å; I202-V206 PolarHBondContact O-N 2.96Å; I202-V206 VanDerWaalsContact O-N 3.13Å; W203-V206 PolarHBondContact O-N 3.13Å; V206-T209 PolarHBondContact O-N 3.17Å; V206-K210 PolarHBondContact O-N 2.99Å; V206-K210 VanDerWaalsContact O-N 3.11Å; V206-I231 HydrophobicContact CB-CD1 4.21Å; V206-I231 HydrophobicContact CG1-CD1 3.67Å; V206-I231 HydrophobicContact CG2-CD1 4.42Å |
| 207 | L | 82.7 | Confident | 78.8 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 5% | 0.052 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 178 | -176.9 | 69 | 0 | 0 | 0 | 111.6 | W203 L204 I205 T209 K210 R211 L220 | W203-L207 HydrophobicContact CH2-CD2 3.97Å; W203-L207 HydrophobicContact CZ2-CD2 3.84Å; W203-L207 VanDerWaalsContact O-CB 3.3Å; W203-L207 WeakPolarHBondContact O-CB 3.3Å; W203-L207 PolarHBondContact O-N 3.39Å; L204-L207 PolarHBondContact O-N 3.26Å; I205-L207 VanDerWaalsContact C-N 3.35Å; L207-T209 PolarHBondContact O-N 3.17Å; L207-K210 PolarHBondContact O-N 3.46Å; L207-R211 VanDerWaalsContact O-CB 3.3Å; L207-R211 WeakPolarHBondContact O-CB 3.1Å; L207-R211 PolarHBondContact O-N 2.88Å; L207-L220 HydrophobicContact CD1-CD2 4.34Å; L207-L220 HydrophobicContact CD2-CD1 3.97Å; L207-L220 HydrophobicContact CD2-CD2 3.79Å |
| 208 | L | 81 | Confident | 77.3 | Confident | 102 Ų | 102 | 75.8 Ų | 75.8 | 53% | 0.534 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | -179.7 | -70.2 | 172.9 | 0 | 0 | 0 | 112.2 | L204 I205 R211 S212 | L204-L208 WeakPolarHBondContact O-CB 3.24Å; L204-L208 WeakPolarHBondContact O-CG 3.42Å; L204-L208 PolarHBondContact O-N 3.25Å; I205-L208 PolarHBondContact O-N 3.02Å; L208-R211 PolarHBondContact O-N 3.06Å; L208-S212 PolarHBondContact O-N 3.46Å |
| 209 | T | 83.3 | Confident | 76.2 | Confident | 102 Ų | 102 | 70.2 Ų | 70.2 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.8 | -40.2 | 179.6 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | I205 V206 L207 | I205-T209 WeakPolarHBondContact O-CB 3.28Å; I205-T209 PolarHBondContact O-N 3.26Å; I205-T209 PolarHBondContact O-OG1 3.44Å; V206-T209 PolarHBondContact O-N 3.17Å; L207-T209 PolarHBondContact O-N 3.17Å |
| 210 | K | 77.9 | Confident | 75.1 | Confident | 135 Ų | 135 | 69.3 Ų | 69.3 | 59% | 0.587 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -71.1 | -36.4 | 175.1 | -78.3 | -173.3 | 164.8 | -177.5 | 0 | 112.9 | V206 L207 S212 E228 | V206-K210 PolarHBondContact O-N 2.99Å; V206-K210 VanDerWaalsContact O-N 3.11Å; L207-K210 PolarHBondContact O-N 3.46Å; K210-S212 VanDerWaalsContact C-N 3.33Å; K210-E228 HydrophobicContact CD-CG 3.89Å; K210-E228 WeakPolarHBondContact CD-OE1 3.14Å; K210-E228 WeakPolarHBondContact CE-OE1 3.3Å; K210-E228 IonicContact NZ-OE1 2.67Å; K210-E228 PolarHBondContact NZ-OE1 3.46Å |
| 211 | R | 74.5 | Confident | 73.7 | Confident | 47 Ų | 47 | 70 Ų | 70 | 18% | 0.177 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -78.3 | -16 | -179.1 | -159 | 171.4 | -145.2 | -171.3 | -0.2 | 113.7 | E146 L207 L208 G213 A214 K218 | E146-R211 IonicContact OE1-CZ 3.43Å; E146-R211 IonicContact OE1-NH1 3.36Å; E146-R211 PolarHBondContact OE1-NH1 3.46Å; L207-R211 VanDerWaalsContact O-CB 3.3Å; L207-R211 WeakPolarHBondContact O-CB 3.1Å; L207-R211 PolarHBondContact O-N 2.88Å; L208-R211 PolarHBondContact O-N 3.06Å; R211-G213 PolarHBondContact O-N 3.22Å; R211-A214 PolarHBondContact O-N 3.14Å; R211-A214 VanDerWaalsContact O-O 3.12Å; R211-K218 PolarHBondContact NH2-O 3.37Å |
| 212 | S | 66.4 | Low | 72.3 | Confident | 107 Ų | 107 | 73 Ų | 73 | 75% | 0.748 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -13.5 | -179.9 | -167.5 | 0 | 0 | 0 | 0 | 114.5 | L208 K210 | L208-S212 PolarHBondContact O-N 3.46Å; K210-S212 VanDerWaalsContact C-N 3.33Å |
| 213 | G | 60.7 | Low | 71.2 | Confident | 81 Ų | 81 | 69.3 Ų | 69.3 | 84% | 0.835 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -4 | 174 | 0 | 0 | 0 | 0 | 0 | 116.2 | R211 | R211-G213 PolarHBondContact O-N 3.22Š|
| 214 | A | 61.3 | Low | 70.1 | Confident | 52 Ų | 52 | 75.4 Ų | 75.4 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -121.2 | 137.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R211 V216 | R211-A214 PolarHBondContact O-N 3.14Å; R211-A214 VanDerWaalsContact O-O 3.12Å; A214-V216 PolarHBondContact O-N 3.11Å |
| 215 | P | 56.6 | Low | 68.9 | Low | 96 Ų | 96 | 78.7 Ų | 78.7 | 62% | 0.623 | 44% | 0.44 | S | S | * | . | trans | -61.8 | 129.1 | 176.4 | 29 | -35 | 0 | 0 | 0 | 108.9 | E217 | P215-E217 HydrophobicContact CB-CG 3.98Å; P215-E217 HydrophobicContact CG-CG 4.29Å; P215-E217 PolarHBondContact O-N 2.77Å | ||
| 216 | V | 58.6 | Low | 68 | Low | 51 Ų | 51 | 76.9 Ų | 76.9 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | trans | -73.7 | 65.8 | -177.7 | -169 | 0 | 0 | 0 | 0 | 108.9 | N142 E146 A214 | N142-V216 PolarHBondContact ND2-O 3.09Å; E146-V216 WeakPolarHBondContact OE1-CG1 3.08Å; A214-V216 PolarHBondContact O-N 3.11Å | ||
| 217 | E | 54.2 | Low | 67.3 | Low | 143 Ų | 143 | 79 Ų | 79 | 67% | 0.668 | 44% | 0.444 | S | S | * | . | trans | -89.9 | -11.7 | -173.7 | -70 | -172.7 | 174.3 | 0 | 0 | 113 | P215 | P215-E217 HydrophobicContact CB-CG 3.98Å; P215-E217 HydrophobicContact CG-CG 4.29Å; P215-E217 PolarHBondContact O-N 2.77Å | ||
| 218 | K | 60.4 | Low | 66.8 | Low | 155 Ų | 155 | 79.6 Ų | 79.6 | 67% | 0.674 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -131.5 | 127.9 | -176 | -62.3 | -175.8 | -177.8 | 177.1 | 0 | 110.5 | R211 | R211-K218 PolarHBondContact NH2-O 3.37Š|
| 219 | C | 69.9 | Low | 66.5 | Low | 19 Ų | 19 | 76.2 Ų | 76.2 | 13% | 0.128 | 43% | 0.428 | C | S | . | . | trans | -45.4 | 148.1 | 166.8 | 169.8 | 0 | 0 | 0 | 0 | 110.6 | C145 Y149 G221 | C145-C219 HydrophobicContact CB-CB 3.6Å; C145-C219 WeakPolarHBondContact CB-SG 3.49Å; C145-C219 WeakPolarHBondContact SG-CB 3.35Å; C145-C219 CovalentContact SG-SG 2Å; C145-C219 PolarHBondContact SG-SG 2.88Å; Y149-C219 VanDerWaalsContact CE2-SG 3.51Å; C219-G221 PolarHBondContact O-N 2.93Å | ||
| 220 | L | 68.2 | Low | 66.3 | Low | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.016 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -55 | 1.4 | 175 | -86.4 | 166.3 | 0 | 0 | 0 | 114.6 | E146 Y149 W203 L207 N222 Y223 | E146-L220 HydrophobicContact CB-CD1 3.8Å; E146-L220 HydrophobicContact CB-CG 4.43Å; E146-L220 HydrophobicContact CG-CB 4.21Å; E146-L220 HydrophobicContact CG-CD1 3.67Å; E146-L220 HydrophobicContact CG-CG 3.77Å; Y149-L220 HydrophobicContact CD2-CB 4.33Å; W203-L220 HydrophobicContact CH2-CD1 4.5Å; L207-L220 HydrophobicContact CD1-CD2 4.34Å; L207-L220 HydrophobicContact CD2-CD1 3.97Å; L207-L220 HydrophobicContact CD2-CD2 3.79Å; L220-N222 PolarHBondContact O-N 3.4Å; L220-Y223 HydrophobicContact CB-CD1 4.2Å; L220-Y223 WeakPolarHBondContact O-CB 3.41Å; L220-Y223 WeakPolarHBondContact O-CD1 3.5Å; L220-Y223 PolarHBondContact O-N 3.32Å |
| 221 | G | 59.6 | Low | 66.4 | Low | 24 Ų | 24 | 75.1 Ų | 75.1 | 25% | 0.247 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -48.6 | -17.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | C219 Y224 | C219-G221 PolarHBondContact O-N 2.93Å; G221-Y224 WeakPolarHBondContact O-CE1 3.46Å |
| 222 | N | 62.1 | Low | 66.6 | Low | 99 Ų | 99 | 72.9 Ų | 72.9 | 53% | 0.529 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -110.3 | 18 | 173.6 | -68.7 | -38.9 | 0 | 0 | 0 | 114.8 | L220 Y224 L225 | L220-N222 PolarHBondContact O-N 3.4Å; N222-Y224 PolarHBondContact O-N 2.92Å; N222-Y224 PolarHBondContact OD1-OH 3.16Å; N222-L225 HydrophobicContact CB-CD1 3.9Å; N222-L225 PolarHBondContact O-N 3.23Å |
| 223 | Y | 68.7 | Low | 67.1 | Low | 20 Ų | 20 | 68.1 Ų | 68.1 | 8% | 0.078 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -56 | -26.1 | -177.6 | 69 | -98.6 | 0 | 0 | 0 | 112.5 | Y149 E153 L220 L225 E226 F229 | Y149-Y223 HydrophobicContact CD1-CD1 4.23Å; Y149-Y223 AromaticContact CD1-CE1 3.45Å; Y149-Y223 HydrophobicContact CD1-CE1 3.45Å; Y149-Y223 VanDerWaalsContact CD1-CE1 3.45Å; Y149-Y223 HydrophobicContact CE1-CE1 4.01Å; Y149-Y223 HydrophobicContact CG-CD1 4.34Å; Y149-Y223 AromaticContact CG-CE1 3.96Å; Y149-Y223 HydrophobicContact CG-CE1 3.96Å; E153-Y223 HydrophobicContact CG-CE2 4.27Å; E153-Y223 PolarHBondContact OE1-OH 2.83Å; L220-Y223 HydrophobicContact CB-CD1 4.2Å; L220-Y223 WeakPolarHBondContact O-CB 3.41Å; L220-Y223 WeakPolarHBondContact O-CD1 3.5Å; L220-Y223 PolarHBondContact O-N 3.32Å; Y223-L225 VanDerWaalsContact C-N 3.25Å; Y223-L225 PolarHBondContact O-N 2.88Å; Y223-E226 WeakPolarHBondContact O-CB 3.19Å; Y223-E226 PolarHBondContact O-N 3.41Å; Y223-F229 AromaticContact CD2-CD2 3.64Å; Y223-F229 HydrophobicContact CD2-CD2 3.64Å; Y223-F229 HydrophobicContact CD2-CE2 4.07Å; Y223-F229 AromaticContact CE2-CD2 3.7Å; Y223-F229 HydrophobicContact CE2-CD2 3.7Å; Y223-F229 AromaticContact CE2-CE2 3.63Å; Y223-F229 HydrophobicContact CE2-CE2 3.63Å; Y223-F229 WeakPolarHBondContact O-CB 3.48Å |
| 224 | Y | 66.4 | Low | 68.1 | Low | 131 Ų | 131 | 65.2 Ų | 65.2 | 51% | 0.514 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -68.5 | -16.8 | 178.9 | 61.9 | -92 | 0 | 0 | 0 | 114.4 | G221 N222 | G221-Y224 WeakPolarHBondContact O-CE1 3.46Å; N222-Y224 PolarHBondContact O-N 2.92Å; N222-Y224 PolarHBondContact OD1-OH 3.16Å |
| 225 | L | 60.7 | Low | 69.1 | Low | 122 Ų | 122 | 65.2 Ų | 65.2 | 64% | 0.639 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -87.6 | -17.4 | 173.3 | -70.3 | 102.6 | 0 | 0 | 0 | 112.8 | N222 Y223 | N222-L225 HydrophobicContact CB-CD1 3.9Å; N222-L225 PolarHBondContact O-N 3.23Å; Y223-L225 VanDerWaalsContact C-N 3.25Å; Y223-L225 PolarHBondContact O-N 2.88Å |
| 226 | E | 69.3 | Low | 70.2 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 31% | 0.313 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -78.1 | 135.5 | -177.3 | -67.6 | -178.6 | 87.6 | 0 | 0 | 109.7 | Y223 E228 F229 | Y223-E226 WeakPolarHBondContact O-CB 3.19Å; Y223-E226 PolarHBondContact O-N 3.41Å; E226-E228 WeakPolarHBondContact CB-OE2 3.26Å; E226-E228 PolarHBondContact O-N 3.34Å; E226-F229 WeakPolarHBondContact O-CB 3.32Å; E226-F229 PolarHBondContact O-N 2.95Å |
| 227 | P | 70.1 | Confident | 71.2 | Confident | 93 Ų | 93 | 61.7 Ų | 61.7 | 60% | 0.604 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.5 | -179.7 | 22.7 | -32.2 | 0 | 0 | 0 | 112.9 | F229 W230 | P227-F229 PolarHBondContact O-N 3.38Å; P227-W230 WeakPolarHBondContact O-CB 3.38Å; P227-W230 PolarHBondContact O-N 2.94Å; P227-W230 VanDerWaalsContact O-N 3.13Å |
| 228 | E | 72.4 | Confident | 72.4 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 10% | 0.103 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -23.5 | 174.5 | -64.4 | 69.7 | -153.6 | 0 | 0 | 112.7 | K210 E226 W230 I231 | K210-E228 HydrophobicContact CD-CG 3.89Å; K210-E228 WeakPolarHBondContact CD-OE1 3.14Å; K210-E228 WeakPolarHBondContact CE-OE1 3.3Å; K210-E228 IonicContact NZ-OE1 2.67Å; K210-E228 PolarHBondContact NZ-OE1 3.46Å; E226-E228 WeakPolarHBondContact CB-OE2 3.26Å; E226-E228 PolarHBondContact O-N 3.34Å; E228-W230 PolarHBondContact O-N 3.42Å; E228-I231 WeakPolarHBondContact O-CB 3.46Å; E228-I231 PolarHBondContact O-N 3.21Å |
| 229 | F | 76 | Confident | 73.2 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 14% | 0.136 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.5 | -31.8 | 173.1 | 179.3 | -115.5 | 0 | 0 | 0 | 112.2 | Y223 E226 P227 I231 L232 D233 | Y223-F229 AromaticContact CD2-CD2 3.64Å; Y223-F229 HydrophobicContact CD2-CD2 3.64Å; Y223-F229 HydrophobicContact CD2-CE2 4.07Å; Y223-F229 AromaticContact CE2-CD2 3.7Å; Y223-F229 HydrophobicContact CE2-CD2 3.7Å; Y223-F229 AromaticContact CE2-CE2 3.63Å; Y223-F229 HydrophobicContact CE2-CE2 3.63Å; Y223-F229 WeakPolarHBondContact O-CB 3.48Å; E226-F229 WeakPolarHBondContact O-CB 3.32Å; E226-F229 PolarHBondContact O-N 2.95Å; P227-F229 PolarHBondContact O-N 3.38Å; F229-I231 PolarHBondContact O-N 2.83Å; F229-L232 HydrophobicContact CE2-CD2 4.46Å; F229-L232 PolarHBondContact O-N 3.4Å; F229-D233 HydrophobicContact CD1-CB 3.86Å; F229-D233 HydrophobicContact CD2-CB 4.42Å; F229-D233 HydrophobicContact CE1-CB 3.44Å; F229-D233 VanDerWaalsContact CE1-CB 3.44Å; F229-D233 HydrophobicContact CE2-CB 4.05Å; F229-D233 HydrophobicContact CG-CB 4.33Å; F229-D233 HydrophobicContact CZ-CB 3.56Å; F229-D233 WeakPolarHBondContact O-CB 3.49Å; F229-D233 PolarHBondContact O-N 2.95Å |
| 230 | W | 78.2 | Confident | 73.4 | Confident | 157 Ų | 157 | 55.4 Ų | 55.4 | 60% | 0.595 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -66.3 | -19.1 | 177.3 | -75.5 | 94.3 | 0 | 0 | 0 | 113.7 | P227 E228 L232 G234 L237 | P227-W230 WeakPolarHBondContact O-CB 3.38Å; P227-W230 PolarHBondContact O-N 2.94Å; P227-W230 VanDerWaalsContact O-N 3.13Å; E228-W230 PolarHBondContact O-N 3.42Å; W230-L232 VanDerWaalsContact C-N 3.28Å; W230-G234 WeakPolarHBondContact O-CA 3.33Å; W230-G234 PolarHBondContact O-N 3.32Å; W230-L237 HydrophobicContact CZ3-CD1 4.05Å |
| 231 | I | 79.7 | Confident | 73.8 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 30% | 0.297 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.3 | -42.9 | 171.8 | -61.5 | 172.9 | 0 | 0 | 0 | 109 | H199 W203 V206 E228 F229 V235 | H199-I231 PolarHBondContact NE2-O 3.45Å; W203-I231 HydrophobicContact CB-CG2 4.5Å; V206-I231 HydrophobicContact CB-CD1 4.21Å; V206-I231 HydrophobicContact CG1-CD1 3.67Å; V206-I231 HydrophobicContact CG2-CD1 4.42Å; E228-I231 WeakPolarHBondContact O-CB 3.46Å; E228-I231 PolarHBondContact O-N 3.21Å; F229-I231 PolarHBondContact O-N 2.83Å; I231-V235 WeakPolarHBondContact O-CB 3.32Å; I231-V235 WeakPolarHBondContact O-CG2 3.34Å |
| 232 | L | 78.5 | Confident | 74.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -80 | -54.7 | -179.9 | -169.4 | 140.4 | 0 | 0 | 0 | 110.9 | E153 I200 W203 F229 W230 R236 | E153-L232 HydrophobicContact CB-CD1 3.78Å; E153-L232 HydrophobicContact CB-CD2 4.17Å; E153-L232 HydrophobicContact CG-CD1 4.12Å; E153-L232 HydrophobicContact CG-CD2 4.11Å; E153-L232 WeakPolarHBondContact OE2-CD2 3.28Å; I200-L232 HydrophobicContact CD1-CD1 3.47Å; I200-L232 VanDerWaalsContact CD1-CD1 3.47Å; I200-L232 HydrophobicContact CD1-CG 4.41Å; W203-L232 HydrophobicContact CB-CD1 4.38Å; W203-L232 HydrophobicContact CD2-CD1 3.71Å; W203-L232 HydrophobicContact CE3-CD1 3.87Å; W203-L232 HydrophobicContact CG-CB 4.17Å; W203-L232 HydrophobicContact CG-CD1 3.93Å; W203-L232 HydrophobicContact CZ3-CD1 4.45Å; F229-L232 HydrophobicContact CE2-CD2 4.46Å; F229-L232 PolarHBondContact O-N 3.4Å; W230-L232 VanDerWaalsContact C-N 3.28Å; L232-R236 WeakPolarHBondContact O-CB 3.46Å; L232-R236 PolarHBondContact O-N 2.85Å |
| 233 | D | 78.5 | Confident | 75.1 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.032 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.8 | -36.6 | -174.5 | -165.9 | 57.5 | 0 | 0 | 0 | 112.9 | F229 R236 L237 T308 | F229-D233 HydrophobicContact CD1-CB 3.86Å; F229-D233 HydrophobicContact CD2-CB 4.42Å; F229-D233 HydrophobicContact CE1-CB 3.44Å; F229-D233 VanDerWaalsContact CE1-CB 3.44Å; F229-D233 HydrophobicContact CE2-CB 4.05Å; F229-D233 HydrophobicContact CG-CB 4.33Å; F229-D233 HydrophobicContact CZ-CB 3.56Å; F229-D233 WeakPolarHBondContact O-CB 3.49Å; F229-D233 PolarHBondContact O-N 2.95Å; D233-R236 CarbonylContact O-C 3.58Å; D233-R236 PolarHBondContact O-N 3.04Å; D233-R236 IonicContact OD1-CZ 2.7Å; D233-R236 IonicContact OD1-NE 2.98Å; D233-R236 PolarHBondContact OD1-NE 3.42Å; D233-R236 IonicContact OD1-NH2 3.99Å; D233-R236 PolarHBondContact OD1-NH2 2.49Å; D233-L237 WeakPolarHBondContact O-CB 3.42Å; D233-L237 WeakPolarHBondContact O-CG 3.2Å; D233-L237 PolarHBondContact O-N 3.49Å; D233-T308 VanDerWaalsContact CG-CG2 3.43Å; D233-T308 WeakPolarHBondContact OD1-CG2 3.46Å; D233-T308 WeakPolarHBondContact OD2-CG2 3.19Å |
| 234 | G | 80.3 | Confident | 75.2 | Confident | 21 Ų | 21 | 57 Ų | 57 | 22% | 0.216 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.9 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W230 L237 L238 | W230-G234 WeakPolarHBondContact O-CA 3.33Å; W230-G234 PolarHBondContact O-N 3.32Å; G234-L237 PolarHBondContact O-N 3.01Å; G234-L238 WeakPolarHBondContact O-CB 3.47Å; G234-L238 PolarHBondContact O-N 3.49Å |
| 235 | V | 83.3 | Confident | 75.7 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 172.4 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | H199 I231 L237 L238 Q239 | H199-V235 WeakPolarHBondContact NE2-CB 3.24Å; H199-V235 VanDerWaalsContact NE2-CG1 3.27Å; H199-V235 WeakPolarHBondContact NE2-CG1 3.49Å; I231-V235 WeakPolarHBondContact O-CB 3.32Å; I231-V235 WeakPolarHBondContact O-CG2 3.34Å; V235-L237 VanDerWaalsContact C-N 3.35Å; V235-L237 PolarHBondContact O-N 3.04Å; V235-L238 PolarHBondContact O-N 3.27Å; V235-Q239 HydrophobicContact CG1-CG 4.23Å; V235-Q239 WeakPolarHBondContact O-CB 3.43Å; V235-Q239 WeakPolarHBondContact O-CG 3.44Å; V235-Q239 PolarHBondContact O-N 2.96Å |
| 236 | R | 79.2 | Confident | 76.5 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 10% | 0.102 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 174.1 | -172.9 | 173.6 | 69.1 | -169.7 | 1.2 | 111.9 | E153 L232 D233 Q239 L240 | E153-R236 IonicContact OE2-NH1 3.32Å; E153-R236 PolarHBondContact OE2-NH1 2.85Å; L232-R236 WeakPolarHBondContact O-CB 3.46Å; L232-R236 PolarHBondContact O-N 2.85Å; D233-R236 CarbonylContact O-C 3.58Å; D233-R236 PolarHBondContact O-N 3.04Å; D233-R236 IonicContact OD1-CZ 2.7Å; D233-R236 IonicContact OD1-NE 2.98Å; D233-R236 PolarHBondContact OD1-NE 3.42Å; D233-R236 IonicContact OD1-NH2 3.99Å; D233-R236 PolarHBondContact OD1-NH2 2.49Å; R236-Q239 CarbonylContact O-C 3.49Å; R236-Q239 PolarHBondContact O-N 3.23Å; R236-L240 HydrophobicContact CG-CD1 4Å; R236-L240 HydrophobicContact CG-CG 4.4Å; R236-L240 VanDerWaalsContact O-CB 3.27Å; R236-L240 WeakPolarHBondContact O-CB 3.24Å; R236-L240 WeakPolarHBondContact O-CG 3.48Å; R236-L240 PolarHBondContact O-N 3.19Å |
| 237 | L | 78.7 | Confident | 76.6 | Confident | 46 Ų | 46 | 52.3 Ų | 52.3 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 174.4 | -81.2 | 176.5 | 0 | 0 | 0 | 112.1 | W230 D233 G234 V235 Q239 L240 V241 T308 | W230-L237 HydrophobicContact CZ3-CD1 4.05Å; D233-L237 WeakPolarHBondContact O-CB 3.42Å; D233-L237 WeakPolarHBondContact O-CG 3.2Å; D233-L237 PolarHBondContact O-N 3.49Å; G234-L237 PolarHBondContact O-N 3.01Å; V235-L237 VanDerWaalsContact C-N 3.35Å; V235-L237 PolarHBondContact O-N 3.04Å; L237-Q239 VanDerWaalsContact C-N 3.34Å; L237-L240 HydrophobicContact CD2-CD1 4.38Å; L237-L240 WeakPolarHBondContact O-CB 3.24Å; L237-L240 PolarHBondContact O-N 3.22Å; L237-V241 WeakPolarHBondContact O-CB 3.38Å; L237-V241 VanDerWaalsContact O-CG2 3.32Å; L237-V241 WeakPolarHBondContact O-CG2 3.49Å; L237-V241 PolarHBondContact O-N 3.42Å; L237-T308 HydrophobicContact CD1-CG2 3.76Å; L237-T308 HydrophobicContact CD2-CG2 3.3Å; L237-T308 HydrophobicContact CG-CG2 3.44Å; L237-T308 VanDerWaalsContact CG-CG2 3.44Å |
| 238 | L | 80.7 | Confident | 76.9 | Confident | 132 Ų | 132 | 53.1 Ų | 53.1 | 69% | 0.691 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.4 | -44.9 | 176.7 | -177.9 | 67 | 0 | 0 | 0 | 110.9 | G234 V235 L240 G242 | G234-L238 WeakPolarHBondContact O-CB 3.47Å; G234-L238 PolarHBondContact O-N 3.49Å; V235-L238 PolarHBondContact O-N 3.27Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-G242 PolarHBondContact O-N 3.3Å |
| 239 | Q | 76.8 | Confident | 77.3 | Confident | 52 Ų | 52 | 55.6 Ų | 55.6 | 24% | 0.243 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 174.2 | -71.7 | 173.6 | 3.4 | 0 | 0 | 111.5 | F160 V235 R236 L237 T243 | F160-Q239 HydrophobicContact CE1-CB 4.05Å; V235-Q239 HydrophobicContact CG1-CG 4.23Å; V235-Q239 WeakPolarHBondContact O-CB 3.43Å; V235-Q239 WeakPolarHBondContact O-CG 3.44Å; V235-Q239 PolarHBondContact O-N 2.96Å; R236-Q239 CarbonylContact O-C 3.49Å; R236-Q239 PolarHBondContact O-N 3.23Å; L237-Q239 VanDerWaalsContact C-N 3.34Å; Q239-T243 WeakPolarHBondContact O-CA 3.5Å; Q239-T243 WeakPolarHBondContact O-CB 3.19Å; Q239-T243 PolarHBondContact O-N 3.03Å; Q239-T243 PolarHBondContact O-OG1 2.99Å |
| 240 | L | 73.6 | Confident | 77.3 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.8 | -51.6 | 177.1 | -81.3 | 164.6 | 0 | 0 | 0 | 111.1 | F160 R236 L237 L238 G242 T243 V244 N304 I305 | F160-L240 HydrophobicContact CD2-CD2 3.78Å; F160-L240 HydrophobicContact CE1-CD2 4.27Å; F160-L240 HydrophobicContact CE1-CG 4.33Å; F160-L240 HydrophobicContact CE2-CD2 3.08Å; F160-L240 HydrophobicContact CE2-CG 3.98Å; F160-L240 HydrophobicContact CZ-CB 4.38Å; F160-L240 HydrophobicContact CZ-CD2 3.37Å; F160-L240 HydrophobicContact CZ-CG 3.82Å; R236-L240 HydrophobicContact CG-CD1 4Å; R236-L240 HydrophobicContact CG-CG 4.4Å; R236-L240 VanDerWaalsContact O-CB 3.27Å; R236-L240 WeakPolarHBondContact O-CB 3.24Å; R236-L240 WeakPolarHBondContact O-CG 3.48Å; R236-L240 PolarHBondContact O-N 3.19Å; L237-L240 HydrophobicContact CD2-CD1 4.38Å; L237-L240 WeakPolarHBondContact O-CB 3.24Å; L237-L240 PolarHBondContact O-N 3.22Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L240-G242 VanDerWaalsContact C-N 3.32Å; L240-G242 PolarHBondContact O-N 3.38Å; L240-T243 PolarHBondContact O-N 3.28Å; L240-V244 WeakPolarHBondContact O-CB 3.27Å; L240-V244 WeakPolarHBondContact O-CG2 3.28Å; L240-V244 PolarHBondContact O-N 3.39Å; L240-N304 HydrophobicContact CD1-CB 4.46Å; L240-N304 HydrophobicContact CD2-CB 3.92Å; L240-I305 HydrophobicContact CB-CG1 4.35Å; L240-I305 HydrophobicContact CD1-CG1 4.36Å; L240-I305 HydrophobicContact CD2-CG1 4.06Å |
| 241 | V | 76.2 | Confident | 77.1 | Confident | 74 Ų | 74 | 48.9 Ų | 48.9 | 45% | 0.448 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 179 | 173 | 0 | 0 | 0 | 0 | 110.4 | L237 K245 | L237-V241 WeakPolarHBondContact O-CB 3.38Å; L237-V241 VanDerWaalsContact O-CG2 3.32Å; L237-V241 WeakPolarHBondContact O-CG2 3.49Å; L237-V241 PolarHBondContact O-N 3.42Å; V241-K245 HydrophobicContact CG1-CD 4.27Å; V241-K245 WeakPolarHBondContact O-CB 3.16Å; V241-K245 VanDerWaalsContact O-CG 3.23Å; V241-K245 WeakPolarHBondContact O-CG 3.42Å; V241-K245 PolarHBondContact O-N 3.36Å; V241-K245 VanDerWaalsContact O-N 3.08Å |
| 242 | G | 77 | Confident | 77.1 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.5 | -49.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L238 L240 K245 V246 | L238-G242 PolarHBondContact O-N 3.3Å; L240-G242 VanDerWaalsContact C-N 3.32Å; L240-G242 PolarHBondContact O-N 3.38Å; G242-K245 PolarHBondContact O-N 2.85Å; G242-V246 WeakPolarHBondContact O-CB 3.27Å; G242-V246 VanDerWaalsContact O-CG2 3.24Å; G242-V246 WeakPolarHBondContact O-CG2 3.46Å; G242-V246 PolarHBondContact O-N 2.88Å |
| 243 | T | 72.5 | Confident | 77.3 | Confident | 16 Ų | 16 | 53 Ų | 53 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 179.9 | -65.9 | 0 | 0 | 0 | 0 | 112 | F160 F164 Q239 L240 K245 V246 N247 | F160-T243 HydrophobicContact CE2-CG2 4.5Å; F160-T243 HydrophobicContact CZ-CG2 3.84Å; F164-T243 HydrophobicContact CB-CG2 4.26Å; F164-T243 HydrophobicContact CD2-CG2 3.55Å; F164-T243 HydrophobicContact CE2-CG2 4.36Å; F164-T243 HydrophobicContact CG-CG2 4.33Å; Q239-T243 WeakPolarHBondContact O-CA 3.5Å; Q239-T243 WeakPolarHBondContact O-CB 3.19Å; Q239-T243 PolarHBondContact O-N 3.03Å; Q239-T243 PolarHBondContact O-OG1 2.99Å; L240-T243 PolarHBondContact O-N 3.28Å; T243-K245 VanDerWaalsContact C-N 3.35Å; T243-V246 PolarHBondContact O-N 3.45Å; T243-N247 WeakPolarHBondContact CG2-ND2 3.38Å; T243-N247 WeakPolarHBondContact O-CB 3.34Å; T243-N247 PolarHBondContact O-N 3.49Å |
| 244 | V | 71.9 | Confident | 77.1 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 176.9 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | L240 F248 I305 | L240-V244 WeakPolarHBondContact O-CB 3.27Å; L240-V244 WeakPolarHBondContact O-CG2 3.28Å; L240-V244 PolarHBondContact O-N 3.39Å; V244-F248 WeakPolarHBondContact O-CB 3.32Å; V244-F248 PolarHBondContact O-N 2.87Å; V244-I305 HydrophobicContact CG2-CD1 3.58Å |
| 245 | K | 75.9 | Confident | 76.9 | Confident | 139 Ų | 139 | 54.5 Ų | 54.5 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60 | -48.3 | 174.9 | -74.9 | 175.6 | -180 | -175.8 | 0 | 111.2 | V241 G242 T243 F248 V249 | V241-K245 HydrophobicContact CG1-CD 4.27Å; V241-K245 WeakPolarHBondContact O-CB 3.16Å; V241-K245 VanDerWaalsContact O-CG 3.23Å; V241-K245 WeakPolarHBondContact O-CG 3.42Å; V241-K245 PolarHBondContact O-N 3.36Å; V241-K245 VanDerWaalsContact O-N 3.08Å; G242-K245 PolarHBondContact O-N 2.85Å; T243-K245 VanDerWaalsContact C-N 3.35Å; K245-F248 PolarHBondContact O-N 3.48Å; K245-V249 WeakPolarHBondContact O-CG2 3.47Å; K245-V249 PolarHBondContact O-N 3.44Å |
| 246 | V | 78.2 | Confident | 76.8 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 32% | 0.321 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 179.6 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | F164 G242 T243 F248 V249 F250 | F164-V246 HydrophobicContact CE2-CG1 4.1Å; G242-V246 WeakPolarHBondContact O-CB 3.27Å; G242-V246 VanDerWaalsContact O-CG2 3.24Å; G242-V246 WeakPolarHBondContact O-CG2 3.46Å; G242-V246 PolarHBondContact O-N 2.88Å; T243-V246 PolarHBondContact O-N 3.45Å; V246-F248 VanDerWaalsContact C-N 3.32Å; V246-F248 PolarHBondContact O-N 2.66Å; V246-V249 WeakPolarHBondContact O-CB 3.48Å; V246-V249 PolarHBondContact O-N 3.16Å; V246-F250 HydrophobicContact CG1-CD1 4.21Å; V246-F250 HydrophobicContact CG1-CD2 3.88Å; V246-F250 HydrophobicContact CG1-CE1 3.7Å; V246-F250 HydrophobicContact CG1-CE2 3.31Å; V246-F250 HydrophobicContact CG1-CG 4.32Å; V246-F250 HydrophobicContact CG1-CZ 3.21Å; V246-F250 WeakPolarHBondContact O-CB 3.48Å; V246-F250 WeakPolarHBondContact O-CD1 3.11Å; V246-F250 WeakPolarHBondContact O-CG 3.27Å; V246-F250 PolarHBondContact O-N 2.83Å |
| 247 | N | 71.7 | Confident | 76.7 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 15% | 0.15 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.6 | -36.8 | 177.4 | -76 | -9.8 | 0 | 0 | 0 | 112 | T243 F250 L251 | T243-N247 WeakPolarHBondContact CG2-ND2 3.38Å; T243-N247 WeakPolarHBondContact O-CB 3.34Å; T243-N247 PolarHBondContact O-N 3.49Å; N247-F250 PolarHBondContact O-N 3.38Å; N247-L251 WeakPolarHBondContact O-CB 3.08Å; N247-L251 PolarHBondContact O-N 3.25Å |
| 248 | F | 76.4 | Confident | 76.5 | Confident | 111 Ų | 111 | 61.7 Ų | 61.7 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 174.1 | -176.9 | -103.8 | 0 | 0 | 0 | 111.2 | V244 K245 V246 F250 L251 L252 | V244-F248 WeakPolarHBondContact O-CB 3.32Å; V244-F248 PolarHBondContact O-N 2.87Å; K245-F248 PolarHBondContact O-N 3.48Å; V246-F248 VanDerWaalsContact C-N 3.32Å; V246-F248 PolarHBondContact O-N 2.66Å; F248-F250 VanDerWaalsContact C-N 3.34Å; F248-F250 PolarHBondContact O-N 3.33Å; F248-L251 WeakPolarHBondContact O-CB 3.09Å; F248-L251 PolarHBondContact O-N 2.82Å; F248-L252 HydrophobicContact CD1-CD1 3.99Å; F248-L252 HydrophobicContact CD1-CG 4.48Å; F248-L252 HydrophobicContact CE1-CD1 3.51Å; F248-L252 HydrophobicContact CE1-CG 4.17Å; F248-L252 HydrophobicContact CZ-CD1 3.98Å; F248-L252 HydrophobicContact CZ-CD2 4.36Å; F248-L252 HydrophobicContact CZ-CG 4.28Å; F248-L252 WeakPolarHBondContact O-CG 3.42Å; F248-L252 PolarHBondContact O-N 2.89Å |
| 249 | V | 81.1 | Confident | 76.3 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 173.1 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | K245 V246 L251 L252 N253 | K245-V249 WeakPolarHBondContact O-CG2 3.47Å; K245-V249 PolarHBondContact O-N 3.44Å; V246-V249 WeakPolarHBondContact O-CB 3.48Å; V246-V249 PolarHBondContact O-N 3.16Å; V249-L251 VanDerWaalsContact C-N 3.34Å; V249-L251 PolarHBondContact O-N 3.27Å; V249-L252 PolarHBondContact O-N 3.26Å; V249-N253 PolarHBondContact O-N 2.75Å |
| 250 | F | 74.5 | Confident | 76.2 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 12% | 0.118 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 177.1 | -69.5 | -9.3 | 0 | 0 | 0 | 112.2 | F168 H171 V246 N247 F248 N253 I254 | F168-F250 HydrophobicContact CB-CE2 4.3Å; F168-F250 AromaticContact CD2-CE2 3.86Å; F168-F250 HydrophobicContact CD2-CE2 3.86Å; F168-F250 AromaticContact CD2-CZ 3.77Å; F168-F250 HydrophobicContact CD2-CZ 3.77Å; F168-F250 HydrophobicContact CE2-CZ 4.35Å; H171-F250 HydrophobicContact CB-CB 3.89Å; H171-F250 HydrophobicContact CB-CD1 3.99Å; H171-F250 HydrophobicContact CB-CD2 3.54Å; H171-F250 HydrophobicContact CB-CE1 4.35Å; H171-F250 HydrophobicContact CB-CE2 3.96Å; H171-F250 HydrophobicContact CB-CG 3.54Å; H171-F250 HydrophobicContact CB-CZ 4.33Å; H171-F250 VanDerWaalsContact CD2-CA 3.47Å; H171-F250 WeakPolarHBondContact CD2-CA 3.18Å; H171-F250 VanDerWaalsContact CD2-CB 3.45Å; H171-F250 WeakPolarHBondContact CD2-CB 3.37Å; H171-F250 AromaticContact CD2-CD1 3.16Å; H171-F250 WeakPolarHBondContact CD2-CD1 3.45Å; H171-F250 AromaticContact CD2-CE1 3.9Å; H171-F250 AromaticContact CD2-CG 3.37Å; H171-F250 WeakPolarHBondContact CD2-CG 3.26Å; H171-F250 AromaticContact CE1-CD1 3.59Å; H171-F250 AromaticContact CE1-CE1 3.58Å; H171-F250 AromaticContact CG-CD1 3.29Å; H171-F250 AromaticContact CG-CD2 3.83Å; H171-F250 AromaticContact CG-CE1 3.66Å; H171-F250 AromaticContact CG-CG 3.37Å; H171-F250 AromaticContact ND1-CD1 3.59Å; H171-F250 AromaticContact ND1-CE1 3.48Å; H171-F250 WeakPolarHBondContact ND1-CE1 3.08Å; H171-F250 AromaticContact ND1-CZ 3.92Å; H171-F250 AromaticContact NE2-CD1 3.34Å; H171-F250 VanDerWaalsContact NE2-CD1 3.34Å; H171-F250 WeakPolarHBondContact NE2-CD1 3.37Å; H171-F250 AromaticContact NE2-CE1 3.84Å; V246-F250 HydrophobicContact CG1-CD1 4.21Å; V246-F250 HydrophobicContact CG1-CD2 3.88Å; V246-F250 HydrophobicContact CG1-CE1 3.7Å; V246-F250 HydrophobicContact CG1-CE2 3.31Å; V246-F250 HydrophobicContact CG1-CG 4.32Å; V246-F250 HydrophobicContact CG1-CZ 3.21Å; V246-F250 WeakPolarHBondContact O-CB 3.48Å; V246-F250 WeakPolarHBondContact O-CD1 3.11Å; V246-F250 WeakPolarHBondContact O-CG 3.27Å; V246-F250 PolarHBondContact O-N 2.83Å; N247-F250 PolarHBondContact O-N 3.38Å; F248-F250 VanDerWaalsContact C-N 3.34Å; F248-F250 PolarHBondContact O-N 3.33Å; F250-N253 PolarHBondContact O-N 3.36Å; F250-I254 WeakPolarHBondContact O-CB 3.42Å; F250-I254 WeakPolarHBondContact O-CG1 3.49Å; F250-I254 PolarHBondContact O-N 3.26Å |
| 251 | L | 74.2 | Confident | 76.1 | Confident | 21 Ų | 21 | 68.2 Ų | 68.2 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -48.9 | 175.5 | -178.6 | 84.7 | 0 | 0 | 0 | 111.1 | N247 F248 V249 N253 I254 V255 A293 L294 I297 | N247-L251 WeakPolarHBondContact O-CB 3.08Å; N247-L251 PolarHBondContact O-N 3.25Å; F248-L251 WeakPolarHBondContact O-CB 3.09Å; F248-L251 PolarHBondContact O-N 2.82Å; V249-L251 VanDerWaalsContact C-N 3.34Å; V249-L251 PolarHBondContact O-N 3.27Å; L251-N253 VanDerWaalsContact C-N 3.26Å; L251-N253 PolarHBondContact O-N 2.83Å; L251-I254 PolarHBondContact O-N 3.05Å; L251-V255 HydrophobicContact CD1-CG2 4.5Å; L251-V255 HydrophobicContact CG-CG2 4.27Å; L251-V255 WeakPolarHBondContact O-CB 3.39Å; L251-V255 VanDerWaalsContact O-CG2 3.3Å; L251-V255 WeakPolarHBondContact O-CG2 3.36Å; L251-V255 PolarHBondContact O-N 3.15Å; L251-A293 HydrophobicContact CD1-CB 4Å; L251-L294 HydrophobicContact CD2-CD2 4.47Å; L251-I297 HydrophobicContact CD1-CD1 3.54Å; L251-I297 HydrophobicContact CD1-CG1 3.85Å; L251-I297 HydrophobicContact CD2-CD1 3.19Å; L251-I297 HydrophobicContact CD2-CG1 4.09Å; L251-I297 HydrophobicContact CG-CD1 3.88Å; L251-I297 HydrophobicContact CG-CG1 4.41Å |
| 252 | L | 81 | Confident | 75.6 | Confident | 90 Ų | 90 | 66.6 Ų | 66.6 | 47% | 0.471 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 178.8 | -69.9 | 179.5 | 0 | 0 | 0 | 111.1 | F248 V249 R256 | F248-L252 HydrophobicContact CD1-CD1 3.99Å; F248-L252 HydrophobicContact CD1-CG 4.48Å; F248-L252 HydrophobicContact CE1-CD1 3.51Å; F248-L252 HydrophobicContact CE1-CG 4.17Å; F248-L252 HydrophobicContact CZ-CD1 3.98Å; F248-L252 HydrophobicContact CZ-CD2 4.36Å; F248-L252 HydrophobicContact CZ-CG 4.28Å; F248-L252 WeakPolarHBondContact O-CG 3.42Å; F248-L252 PolarHBondContact O-N 2.89Å; V249-L252 PolarHBondContact O-N 3.26Å; L252-R256 VanDerWaalsContact O-CB 3.27Å; L252-R256 WeakPolarHBondContact O-CB 3.37Å; L252-R256 PolarHBondContact O-N 3.43Å |
| 253 | N | 80.7 | Confident | 75.3 | Confident | 55 Ų | 55 | 72.1 Ų | 72.1 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 175.4 | -70.4 | -18 | 0 | 0 | 0 | 112.2 | H171 V175 V249 F250 L251 R256 V257 | H171-N253 PolarHBondContact NE2-ND2 2.88Å; V175-N253 HydrophobicContact CG2-CB 4.04Å; V249-N253 PolarHBondContact O-N 2.75Å; F250-N253 PolarHBondContact O-N 3.36Å; L251-N253 VanDerWaalsContact C-N 3.26Å; L251-N253 PolarHBondContact O-N 2.83Å; N253-R256 PolarHBondContact O-N 3.27Å; N253-V257 WeakPolarHBondContact O-CG2 3.43Å; N253-V257 PolarHBondContact O-N 3.22Å |
| 254 | I | 74.6 | Confident | 74.8 | Confident | 19 Ų | 19 | 77.8 Ų | 77.8 | 10% | 0.097 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.9 | -47.8 | 177.1 | -71.5 | 165.6 | 0 | 0 | 0 | 110.4 | L170 V174 F250 L251 R256 V257 L258 | L170-I254 HydrophobicContact CD2-CD1 4.4Å; L170-I254 HydrophobicContact CG-CD1 4.27Å; V174-I254 HydrophobicContact CB-CG1 4.13Å; V174-I254 HydrophobicContact CG1-CB 4.39Å; V174-I254 HydrophobicContact CG1-CG1 3.98Å; V174-I254 HydrophobicContact CG1-CG2 4.28Å; F250-I254 WeakPolarHBondContact O-CB 3.42Å; F250-I254 WeakPolarHBondContact O-CG1 3.49Å; F250-I254 PolarHBondContact O-N 3.26Å; L251-I254 PolarHBondContact O-N 3.05Å; I254-R256 VanDerWaalsContact C-N 3.33Å; I254-R256 PolarHBondContact O-N 2.85Å; I254-V257 PolarHBondContact O-N 3.41Å; I254-L258 HydrophobicContact CG2-CD1 3.65Å; I254-L258 HydrophobicContact CG2-CG 4.25Å; I254-L258 VanDerWaalsContact O-CB 3.31Å; I254-L258 WeakPolarHBondContact O-CB 3.45Å; I254-L258 VanDerWaalsContact O-CG 3.22Å; I254-L258 WeakPolarHBondContact O-CG 3.46Å; I254-L258 PolarHBondContact O-N 3.3Å |
| 255 | V | 76.4 | Confident | 74 | Confident | 39 Ų | 39 | 78.8 Ų | 78.8 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 178 | 171.8 | 0 | 0 | 0 | 0 | 110.4 | L251 L258 W259 | L251-V255 HydrophobicContact CD1-CG2 4.5Å; L251-V255 HydrophobicContact CG-CG2 4.27Å; L251-V255 WeakPolarHBondContact O-CB 3.39Å; L251-V255 VanDerWaalsContact O-CG2 3.3Å; L251-V255 WeakPolarHBondContact O-CG2 3.36Å; L251-V255 PolarHBondContact O-N 3.15Å; V255-L258 PolarHBondContact O-N 3.14Å; V255-W259 WeakPolarHBondContact O-CB 3.35Å; V255-W259 PolarHBondContact O-N 2.88Å |
| 256 | R | 82.5 | Confident | 72.8 | Confident | 181 Ų | 181 | 77.7 Ų | 77.7 | 68% | 0.683 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61 | -48.6 | 175.7 | -177.7 | -178.5 | 178.7 | 176.8 | 0.1 | 112 | L252 N253 I254 W259 S260 | L252-R256 VanDerWaalsContact O-CB 3.27Å; L252-R256 WeakPolarHBondContact O-CB 3.37Å; L252-R256 PolarHBondContact O-N 3.43Å; N253-R256 PolarHBondContact O-N 3.27Å; I254-R256 VanDerWaalsContact C-N 3.33Å; I254-R256 PolarHBondContact O-N 2.85Å; R256-W259 PolarHBondContact O-N 3.15Å; R256-S260 PolarHBondContact O-N 3.02Å; R256-S260 PolarHBondContact O-OG 3.26Å |
| 257 | V | 76.4 | Confident | 71.6 | Confident | 40 Ų | 40 | 79.6 Ų | 79.6 | 24% | 0.242 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 179 | 171.4 | 0 | 0 | 0 | 0 | 111 | V174 V175 N253 I254 W259 S260 K261 | V174-V257 HydrophobicContact CG1-CB 4.44Å; V174-V257 HydrophobicContact CG1-CG1 4.23Å; V175-V257 HydrophobicContact CG2-CG2 4.47Å; N253-V257 WeakPolarHBondContact O-CG2 3.43Å; N253-V257 PolarHBondContact O-N 3.22Å; I254-V257 PolarHBondContact O-N 3.41Å; V257-W259 VanDerWaalsContact C-N 3.34Å; V257-S260 PolarHBondContact O-N 2.89Å; V257-K261 HydrophobicContact CG1-CD 4.39Å; V257-K261 WeakPolarHBondContact O-CG 3.26Å; V257-K261 PolarHBondContact O-N 3.03Å |
| 258 | L | 73.8 | Confident | 70.6 | Confident | 53 Ų | 53 | 86.6 Ų | 86.6 | 28% | 0.277 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.2 | -73.5 | 171.5 | 0 | 0 | 0 | 111.3 | I254 V255 K261 V262 Y286 | I254-L258 HydrophobicContact CG2-CD1 3.65Å; I254-L258 HydrophobicContact CG2-CG 4.25Å; I254-L258 VanDerWaalsContact O-CB 3.31Å; I254-L258 WeakPolarHBondContact O-CB 3.45Å; I254-L258 VanDerWaalsContact O-CG 3.22Å; I254-L258 WeakPolarHBondContact O-CG 3.46Å; I254-L258 PolarHBondContact O-N 3.3Å; V255-L258 PolarHBondContact O-N 3.14Å; L258-K261 PolarHBondContact O-N 2.91Å; L258-V262 VanDerWaalsContact O-CG2 3.26Å; L258-V262 WeakPolarHBondContact O-CG2 3.1Å; L258-V262 PolarHBondContact O-N 3.41Å; L258-Y286 HydrophobicContact CB-CD2 4.28Å; L258-Y286 HydrophobicContact CB-CE2 4.04Å |
| 259 | W | 76 | Confident | 69.4 | Low | 152 Ų | 152 | 85.7 Ų | 85.7 | 58% | 0.576 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.6 | -44.1 | 176.3 | -175.4 | -95 | 0 | 0 | 0 | 111.9 | V255 R256 V257 V262 K263 Y286 | V255-W259 WeakPolarHBondContact O-CB 3.35Å; V255-W259 PolarHBondContact O-N 2.88Å; R256-W259 PolarHBondContact O-N 3.15Å; V257-W259 VanDerWaalsContact C-N 3.34Å; W259-V262 PolarHBondContact O-N 3.29Å; W259-K263 PolarHBondContact O-N 3.36Å; W259-Y286 AromaticContact CE3-CE1 3.93Å; W259-Y286 HydrophobicContact CE3-CE1 3.93Å; W259-Y286 HydrophobicContact CE3-CE2 4.28Å; W259-Y286 AromaticContact CE3-CZ 3.62Å; W259-Y286 HydrophobicContact CZ3-CE1 4.01Å |
| 260 | S | 75.4 | Confident | 67.9 | Low | 49 Ų | 49 | 90.6 Ų | 90.6 | 34% | 0.343 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -43.2 | 175.2 | -67.6 | 0 | 0 | 0 | 0 | 112.1 | R256 V257 V262 K263 E264 | R256-S260 PolarHBondContact O-N 3.02Å; R256-S260 PolarHBondContact O-OG 3.26Å; V257-S260 PolarHBondContact O-N 2.89Å; S260-V262 VanDerWaalsContact C-N 3.34Å; S260-V262 PolarHBondContact O-N 2.88Å; S260-K263 CarbonylContact O-C 3.59Å; S260-K263 WeakPolarHBondContact O-CA 3.29Å; S260-K263 WeakPolarHBondContact O-CB 3.5Å; S260-K263 PolarHBondContact O-N 2.96Å; S260-E264 PolarHBondContact O-N 3.47Å |
| 261 | K | 71.1 | Confident | 66.7 | Low | 121 Ų | 121 | 97.9 Ų | 97.9 | 53% | 0.526 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -36.4 | 176.7 | -74.7 | -176 | 175.9 | -178 | 0 | 112.8 | V257 L258 K263 S265 | V257-K261 HydrophobicContact CG1-CD 4.39Å; V257-K261 WeakPolarHBondContact O-CG 3.26Å; V257-K261 PolarHBondContact O-N 3.03Å; L258-K261 PolarHBondContact O-N 2.91Å; K261-K263 VanDerWaalsContact C-N 3.29Å; K261-S265 PolarHBondContact O-N 3.46Å; K261-S265 PolarHBondContact O-OG 3.13Å |
| 262 | V | 67 | Low | 65.9 | Low | 41 Ų | 41 | 105.2 Ų | 105.2 | 25% | 0.248 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 172.2 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | L258 W259 S260 Y286 | L258-V262 VanDerWaalsContact O-CG2 3.26Å; L258-V262 WeakPolarHBondContact O-CG2 3.1Å; L258-V262 PolarHBondContact O-N 3.41Å; W259-V262 PolarHBondContact O-N 3.29Å; S260-V262 VanDerWaalsContact C-N 3.34Å; S260-V262 PolarHBondContact O-N 2.88Å; V262-Y286 HydrophobicContact CG2-CD2 3.94Å; V262-Y286 HydrophobicContact CG2-CG 4.25Å |
| 263 | K | 69.6 | Low | 64.6 | Low | 148 Ų | 148 | 109.8 Ų | 109.8 | 64% | 0.643 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -75.2 | -43.4 | 177.6 | -167.2 | -178.9 | 178 | -173.7 | 0 | 112.9 | W259 S260 K261 S265 H266 | W259-K263 PolarHBondContact O-N 3.36Å; S260-K263 CarbonylContact O-C 3.59Å; S260-K263 WeakPolarHBondContact O-CA 3.29Å; S260-K263 WeakPolarHBondContact O-CB 3.5Å; S260-K263 PolarHBondContact O-N 2.96Å; K261-K263 VanDerWaalsContact C-N 3.29Å; K263-S265 VanDerWaalsContact C-N 3.29Å; K263-S265 PolarHBondContact O-N 3.04Å; K263-H266 WeakPolarHBondContact O-CB 3.43Å; K263-H266 PolarHBondContact O-CD2 2.82Å; K263-H266 PolarHBondContact O-N 2.85Å |
| 264 | E | 62.2 | Low | 63.4 | Low | 135 Ų | 135 | 112.1 Ų | 112.1 | 63% | 0.631 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.6 | -25 | -175.7 | -80.7 | 176.1 | -175.5 | 0 | 0 | 114 | S260 H266 S267 | S260-E264 PolarHBondContact O-N 3.47Å; E264-H266 PolarHBondContact O-N 3.42Å; E264-S267 PolarHBondContact O-N 2.9Å; E264-S267 PolarHBondContact O-OG 2.96Å; E264-S267 VanDerWaalsContact O-OG 3.08Å |
| 265 | S | 55.8 | Low | 62.3 | Low | 79 Ų | 79 | 115.3 Ų | 115.3 | 55% | 0.552 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -5.6 | 168.7 | -56.8 | 0 | 0 | 0 | 0 | 113 | K261 K263 | K261-S265 PolarHBondContact O-N 3.46Å; K261-S265 PolarHBondContact O-OG 3.13Å; K263-S265 VanDerWaalsContact C-N 3.29Å; K263-S265 PolarHBondContact O-N 3.04Å |
| 266 | H | 50 | Low | 61.3 | Low | 116 Ų | 116 | 122.2 Ų | 122.2 | 54% | 0.537 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.4 | -10.8 | 171.3 | -83 | -102.7 | 0 | 0 | 0 | 115.9 | K263 E264 | K263-H266 WeakPolarHBondContact O-CB 3.43Å; K263-H266 PolarHBondContact O-CD2 2.82Å; K263-H266 PolarHBondContact O-N 2.85Å; E264-H266 PolarHBondContact O-N 3.42Å |
| 267 | S | 53.9 | Low | 60 | Low | 93 Ų | 93 | 120.1 Ų | 120.1 | 65% | 0.65 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -98.3 | -5.3 | -166.5 | 65.9 | 0 | 0 | 0 | 0 | 117.1 | E264 | E264-S267 PolarHBondContact O-N 2.9Å; E264-S267 PolarHBondContact O-OG 2.96Å; E264-S267 VanDerWaalsContact O-OG 3.08Å |
| 268 | M | 50.9 | Low | 59.3 | Low | 175 Ų | 175 | 120.8 Ų | 120.8 | 86% | 0.862 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -101 | 94.8 | 173.2 | -67.7 | -61.7 | -163.6 | 0 | 0 | 110.2 | E270 | M268-E270 PolarHBondContact O-N 2.88Š|
| 269 | A | 49.6 | Very low | 58.5 | Low | 92 Ų | 92 | 123.8 Ų | 123.8 | 76% | 0.76 | 60% | 0.603 | S | S | * | * | trans | -68.2 | 110.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 270 | E | 50.5 | Low | 58.1 | Low | 177 Ų | 177 | 123 Ų | 123 | 83% | 0.827 | 60% | 0.601 | S | S | * | * | trans | 165.7 | 79.1 | 149.7 | -97.8 | -175.1 | 160.3 | 0 | 0 | 109.9 | M268 | M268-E270 PolarHBondContact O-N 2.88Š| ||
| 271 | R | 49.7 | Very low | 57.4 | Low | 180 Ų | 180 | 128 Ų | 128 | 68% | 0.679 | 61% | 0.612 | S | S | * | * | trans | 174.8 | 68.8 | 155.9 | -100.8 | 178.8 | -95.6 | -162.9 | -5.1 | 114.3 | Q273 L274 Q275 | R271-Q273 VanDerWaalsContact C-N 3.28Å; R271-Q273 PolarHBondContact O-N 3.12Å; R271-Q273 VanDerWaalsContact O-N 3.08Å; R271-L274 HydrophobicContact CB-CB 4.2Å; R271-L274 HydrophobicContact CG-CB 4.46Å; R271-L274 HydrophobicContact CG-CD1 4.21Å; R271-L274 PolarHBondContact O-N 3.42Å; R271-Q275 WeakPolarHBondContact O-CB 3.39Å; R271-Q275 WeakPolarHBondContact O-CG 3.49Å; R271-Q275 PolarHBondContact O-N 2.98Å | ||
| 272 | Q | 56.8 | Low | 57 | Low | 175 Ų | 175 | 125.3 Ų | 125.3 | 82% | 0.818 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -55.2 | -26 | -177.4 | -82.8 | 173 | -24.2 | 0 | 0 | 116.7 | Q275 | Q272-Q275 VanDerWaalsContact CA-OE1 3.24Å |
| 273 | Q | 54.5 | Low | 57 | Low | 185 Ų | 185 | 126.3 Ų | 126.3 | 86% | 0.864 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -93.2 | -36.7 | 177.7 | -84.5 | 170.2 | -27.5 | 0 | 0 | 114.7 | R271 Q275 | R271-Q273 VanDerWaalsContact C-N 3.28Å; R271-Q273 PolarHBondContact O-N 3.12Å; R271-Q273 VanDerWaalsContact O-N 3.08Å; Q273-Q275 PolarHBondContact O-N 3.39Å |
| 274 | L | 54.8 | Low | 57.1 | Low | 105 Ų | 105 | 121.2 Ų | 121.2 | 55% | 0.55 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.2 | -22 | 168.8 | -78.2 | 161.5 | 0 | 0 | 0 | 111.1 | R271 S278 | R271-L274 HydrophobicContact CB-CB 4.2Å; R271-L274 HydrophobicContact CG-CB 4.46Å; R271-L274 HydrophobicContact CG-CD1 4.21Å; R271-L274 PolarHBondContact O-N 3.42Å; L274-S278 WeakPolarHBondContact O-CB 3.43Å; L274-S278 PolarHBondContact O-N 3.05Å |
| 275 | Q | 51.3 | Low | 57.2 | Low | 85 Ų | 85 | 122.4 Ų | 122.4 | 40% | 0.397 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.4 | -42.6 | 174.8 | -100.1 | 179.8 | -52.1 | 0 | 0 | 113.1 | R271 Q272 Q273 S278 K279 | R271-Q275 WeakPolarHBondContact O-CB 3.39Å; R271-Q275 WeakPolarHBondContact O-CG 3.49Å; R271-Q275 PolarHBondContact O-N 2.98Å; Q272-Q275 VanDerWaalsContact CA-OE1 3.24Å; Q273-Q275 PolarHBondContact O-N 3.39Å; Q275-S278 PolarHBondContact O-N 2.93Å; Q275-K279 WeakPolarHBondContact O-CB 3.28Å; Q275-K279 PolarHBondContact O-N 3.31Å |
| 276 | Y | 54.5 | Low | 57.6 | Low | 184 Ų | 184 | 120.4 Ų | 120.4 | 72% | 0.722 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.4 | -46.5 | -177.9 | -171.7 | -99.7 | 0 | 0 | 0 | 111.8 | K279 Y280 | Y276-K279 PolarHBondContact O-N 3Å; Y276-Y280 PolarHBondContact O-N 3.03Å |
| 277 | K | 55.1 | Low | 58.6 | Low | 137 Ų | 137 | 123.4 Ų | 123.4 | 60% | 0.596 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.5 | -45 | 176.8 | -161.3 | 172.2 | -177 | 178.6 | 0 | 110.4 | K279 Y280 W281 | K277-K279 PolarHBondContact O-N 3.02Å; K277-Y280 PolarHBondContact O-N 3.44Å; K277-W281 PolarHBondContact O-N 3.31Å |
| 278 | S | 61.8 | Low | 59.5 | Low | 54 Ų | 54 | 125.6 Ų | 125.6 | 38% | 0.378 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.2 | -43.7 | 177.6 | -164.1 | 0 | 0 | 0 | 0 | 112.3 | L274 Q275 Y280 W281 Q282 | L274-S278 WeakPolarHBondContact O-CB 3.43Å; L274-S278 PolarHBondContact O-N 3.05Å; Q275-S278 PolarHBondContact O-N 2.93Å; S278-Y280 PolarHBondContact O-N 2.9Å; S278-W281 PolarHBondContact O-N 3.47Å; S278-Q282 WeakPolarHBondContact O-CB 3.32Å; S278-Q282 WeakPolarHBondContact O-CG 3.47Å; S278-Q282 PolarHBondContact O-N 3.28Å; S278-Q282 PolarHBondContact O-NE2 2.99Å; S278-Q282 PolarHBondContact OG-NE2 3.44Å |
| 279 | K | 58.7 | Low | 60.2 | Low | 117 Ų | 117 | 118.9 Ų | 118.9 | 51% | 0.509 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.6 | -42.2 | 176.7 | -170.6 | 177.2 | -174.8 | -178.1 | 0 | 112.4 | Q275 Y276 K277 T283 | Q275-K279 WeakPolarHBondContact O-CB 3.28Å; Q275-K279 PolarHBondContact O-N 3.31Å; Y276-K279 PolarHBondContact O-N 3Å; K277-K279 PolarHBondContact O-N 3.02Å; K279-T283 WeakPolarHBondContact O-CB 3.25Å; K279-T283 PolarHBondContact O-N 3.43Å; K279-T283 PolarHBondContact O-OG1 2.9Å |
| 280 | Y | 66.6 | Low | 61 | Low | 136 Ų | 136 | 115.8 Ų | 115.8 | 53% | 0.533 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -49.9 | 176.1 | -179.8 | -103 | 0 | 0 | 0 | 111.6 | Y276 K277 S278 T283 I284 | Y276-Y280 PolarHBondContact O-N 3.03Å; K277-Y280 PolarHBondContact O-N 3.44Å; S278-Y280 PolarHBondContact O-N 2.9Å; Y280-T283 PolarHBondContact O-N 2.97Å; Y280-I284 HydrophobicContact CD1-CD1 3.66Å; Y280-I284 HydrophobicContact CD2-CD1 4.22Å; Y280-I284 HydrophobicContact CE1-CD1 3.18Å; Y280-I284 HydrophobicContact CE2-CD1 3.79Å; Y280-I284 HydrophobicContact CG-CD1 4.16Å; Y280-I284 WeakPolarHBondContact O-CG1 3.29Å; Y280-I284 PolarHBondContact O-N 3.24Å |
| 281 | W | 60.7 | Low | 62 | Low | 152 Ų | 152 | 115.3 Ų | 115.3 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -40.3 | 179.7 | -73.9 | 108.3 | 0 | 0 | 0 | 113 | K277 S278 I284 Y285 | K277-W281 PolarHBondContact O-N 3.31Å; S278-W281 PolarHBondContact O-N 3.47Å; W281-I284 PolarHBondContact O-N 3.36Å; W281-Y285 WeakPolarHBondContact O-CB 3.49Å; W281-Y285 PolarHBondContact O-N 3.28Å |
| 282 | Q | 63.8 | Low | 62.9 | Low | 65 Ų | 65 | 109.4 Ų | 109.4 | 30% | 0.304 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 176.6 | -72.2 | 174.5 | 48.3 | 0 | 0 | 111.9 | S278 Y285 Y286 | S278-Q282 WeakPolarHBondContact O-CB 3.32Å; S278-Q282 WeakPolarHBondContact O-CG 3.47Å; S278-Q282 PolarHBondContact O-N 3.28Å; S278-Q282 PolarHBondContact O-NE2 2.99Å; S278-Q282 PolarHBondContact OG-NE2 3.44Å; Q282-Y285 PolarHBondContact O-N 2.76Å; Q282-Y286 WeakPolarHBondContact O-CB 3.44Å; Q282-Y286 PolarHBondContact O-N 2.95Å |
| 283 | T | 65.9 | Low | 63.4 | Low | 62 Ų | 62 | 102.4 Ų | 102.4 | 38% | 0.38 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.5 | -41.5 | 176.3 | -55.9 | 0 | 0 | 0 | 0 | 111 | K279 Y280 Y286 R287 | K279-T283 WeakPolarHBondContact O-CB 3.25Å; K279-T283 PolarHBondContact O-N 3.43Å; K279-T283 PolarHBondContact O-OG1 2.9Å; Y280-T283 PolarHBondContact O-N 2.97Å; T283-Y286 PolarHBondContact O-N 2.96Å; T283-R287 HydrophobicContact CG2-CG 4.49Å; T283-R287 WeakPolarHBondContact O-CB 3.15Å; T283-R287 VanDerWaalsContact O-CG 3.27Å; T283-R287 WeakPolarHBondContact O-CG 3.33Å; T283-R287 PolarHBondContact O-N 2.81Å |
| 284 | I | 70.9 | Confident | 64 | Low | 42 Ų | 42 | 98 Ų | 98 | 22% | 0.215 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 174 | -72.5 | 172.2 | 0 | 0 | 0 | 110.9 | Y280 W281 R287 K288 | Y280-I284 HydrophobicContact CD1-CD1 3.66Å; Y280-I284 HydrophobicContact CD2-CD1 4.22Å; Y280-I284 HydrophobicContact CE1-CD1 3.18Å; Y280-I284 HydrophobicContact CE2-CD1 3.79Å; Y280-I284 HydrophobicContact CG-CD1 4.16Å; Y280-I284 WeakPolarHBondContact O-CG1 3.29Å; Y280-I284 PolarHBondContact O-N 3.24Å; W281-I284 PolarHBondContact O-N 3.36Å; I284-R287 PolarHBondContact O-N 3.14Å; I284-K288 HydrophobicContact CG2-CD 4Å; I284-K288 HydrophobicContact CG2-CG 4.43Å; I284-K288 WeakPolarHBondContact O-CB 3.23Å; I284-K288 VanDerWaalsContact O-CG 3.26Å; I284-K288 WeakPolarHBondContact O-CG 3.43Å; I284-K288 PolarHBondContact O-N 3.49Å |
| 285 | Y | 65.6 | Low | 64.5 | Low | 159 Ų | 159 | 97.4 Ų | 97.4 | 62% | 0.624 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -63.6 | -47.5 | 178.2 | -172.2 | -92.5 | 0 | 0 | 0 | 111.1 | W281 Q282 R287 K288 S289 | W281-Y285 WeakPolarHBondContact O-CB 3.49Å; W281-Y285 PolarHBondContact O-N 3.28Å; Q282-Y285 PolarHBondContact O-N 2.76Å; Y285-R287 PolarHBondContact O-N 3.44Å; Y285-K288 CarbonylContact O-C 3.53Å; Y285-K288 WeakPolarHBondContact O-CB 3.18Å; Y285-K288 PolarHBondContact O-N 3.38Å; Y285-K288 VanDerWaalsContact O-N 3.15Å; Y285-S289 PolarHBondContact O-N 3.45Å; Y285-S289 PolarHBondContact O-OG 3.34Å; Y285-S289 VanDerWaalsContact O-OG 3.14Å |
| 286 | Y | 64.2 | Low | 65.3 | Low | 37 Ų | 37 | 94.7 Ų | 94.7 | 15% | 0.145 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -56.6 | -49.9 | 173.9 | 173.2 | -98.5 | 0 | 0 | 0 | 111.7 | L258 W259 V262 Q282 T283 K288 S289 V290 | L258-Y286 HydrophobicContact CB-CD2 4.28Å; L258-Y286 HydrophobicContact CB-CE2 4.04Å; W259-Y286 AromaticContact CE3-CE1 3.93Å; W259-Y286 HydrophobicContact CE3-CE1 3.93Å; W259-Y286 HydrophobicContact CE3-CE2 4.28Å; W259-Y286 AromaticContact CE3-CZ 3.62Å; W259-Y286 HydrophobicContact CZ3-CE1 4.01Å; V262-Y286 HydrophobicContact CG2-CD2 3.94Å; V262-Y286 HydrophobicContact CG2-CG 4.25Å; Q282-Y286 WeakPolarHBondContact O-CB 3.44Å; Q282-Y286 PolarHBondContact O-N 2.95Å; T283-Y286 PolarHBondContact O-N 2.96Å; Y286-K288 VanDerWaalsContact C-N 3.28Å; Y286-K288 PolarHBondContact O-N 2.65Å; Y286-S289 PolarHBondContact O-N 2.82Å; Y286-V290 HydrophobicContact CD1-CG2 4.28Å; Y286-V290 HydrophobicContact CD2-CG2 4.01Å; Y286-V290 HydrophobicContact CE1-CG2 3.83Å; Y286-V290 HydrophobicContact CE2-CG2 3.53Å; Y286-V290 HydrophobicContact CG-CG2 4.35Å; Y286-V290 VanDerWaalsContact CZ-CG2 3.43Å; Y286-V290 WeakPolarHBondContact O-CB 3.11Å; Y286-V290 WeakPolarHBondContact O-CG2 3.21Å; Y286-V290 PolarHBondContact O-N 3.4Å |
| 287 | R | 71.6 | Confident | 65.6 | Low | 180 Ų | 180 | 88.6 Ų | 88.6 | 68% | 0.679 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.1 | -38.7 | 176.9 | -73.7 | 179.2 | 74.8 | 175.2 | 4.3 | 111.8 | T283 I284 Y285 R291 | T283-R287 HydrophobicContact CG2-CG 4.49Å; T283-R287 WeakPolarHBondContact O-CB 3.15Å; T283-R287 VanDerWaalsContact O-CG 3.27Å; T283-R287 WeakPolarHBondContact O-CG 3.33Å; T283-R287 PolarHBondContact O-N 2.81Å; I284-R287 PolarHBondContact O-N 3.14Å; Y285-R287 PolarHBondContact O-N 3.44Å; R287-R291 WeakPolarHBondContact O-CB 3.27Å; R287-R291 PolarHBondContact O-N 3.17Å |
| 288 | K | 71.1 | Confident | 65.7 | Low | 139 Ų | 139 | 84.4 Ų | 84.4 | 60% | 0.604 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -65.6 | -45.2 | 174.7 | -76.9 | 177 | 179.7 | -178.3 | 0 | 111.5 | I284 Y285 Y286 R291 A292 | I284-K288 HydrophobicContact CG2-CD 4Å; I284-K288 HydrophobicContact CG2-CG 4.43Å; I284-K288 WeakPolarHBondContact O-CB 3.23Å; I284-K288 VanDerWaalsContact O-CG 3.26Å; I284-K288 WeakPolarHBondContact O-CG 3.43Å; I284-K288 PolarHBondContact O-N 3.49Å; Y285-K288 CarbonylContact O-C 3.53Å; Y285-K288 WeakPolarHBondContact O-CB 3.18Å; Y285-K288 PolarHBondContact O-N 3.38Å; Y285-K288 VanDerWaalsContact O-N 3.15Å; Y286-K288 VanDerWaalsContact C-N 3.28Å; Y286-K288 PolarHBondContact O-N 2.65Å; K288-R291 PolarHBondContact O-N 2.81Å; K288-A292 WeakPolarHBondContact O-CB 3.25Å; K288-A292 PolarHBondContact O-N 3.36Å |
| 289 | S | 66 | Low | 65.8 | Low | 34 Ų | 34 | 82.6 Ų | 82.6 | 24% | 0.238 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 178.8 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | Y285 Y286 A292 A293 | Y285-S289 PolarHBondContact O-N 3.45Å; Y285-S289 PolarHBondContact O-OG 3.34Å; Y285-S289 VanDerWaalsContact O-OG 3.14Å; Y286-S289 PolarHBondContact O-N 2.82Å; S289-A292 PolarHBondContact O-N 3.13Å; S289-A293 WeakPolarHBondContact O-CB 3.38Å; S289-A293 PolarHBondContact O-N 3.4Å |
| 290 | V | 67.5 | Low | 66.1 | Low | 26 Ų | 26 | 77.6 Ų | 77.6 | 16% | 0.158 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | Y286 A292 A293 L294 | Y286-V290 HydrophobicContact CD1-CG2 4.28Å; Y286-V290 HydrophobicContact CD2-CG2 4.01Å; Y286-V290 HydrophobicContact CE1-CG2 3.83Å; Y286-V290 HydrophobicContact CE2-CG2 3.53Å; Y286-V290 HydrophobicContact CG-CG2 4.35Å; Y286-V290 VanDerWaalsContact CZ-CG2 3.43Å; Y286-V290 WeakPolarHBondContact O-CB 3.11Å; Y286-V290 WeakPolarHBondContact O-CG2 3.21Å; Y286-V290 PolarHBondContact O-N 3.4Å; V290-A292 VanDerWaalsContact C-N 3.32Å; V290-A292 PolarHBondContact O-N 3.08Å; V290-A293 PolarHBondContact O-N 2.57Å; V290-L294 HydrophobicContact CG1-CD1 3.82Å; V290-L294 HydrophobicContact CG1-CG 4.13Å; V290-L294 VanDerWaalsContact O-CB 3.29Å; V290-L294 WeakPolarHBondContact O-CB 3.42Å; V290-L294 VanDerWaalsContact O-CG 3.24Å; V290-L294 WeakPolarHBondContact O-CG 3.3Å; V290-L294 PolarHBondContact O-N 3.1Å |
| 291 | R | 71.3 | Confident | 66 | Low | 168 Ų | 168 | 71.4 Ų | 71.4 | 63% | 0.634 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | 175.1 | -175.3 | 177.9 | -178.2 | 178.3 | 0.5 | 111.8 | R287 K288 L294 M295 | R287-R291 WeakPolarHBondContact O-CB 3.27Å; R287-R291 PolarHBondContact O-N 3.17Å; K288-R291 PolarHBondContact O-N 2.81Å; R291-L294 PolarHBondContact O-N 3.23Å; R291-M295 HydrophobicContact CG-CE 4.15Å; R291-M295 HydrophobicContact CG-SD 4.39Å; R291-M295 VanDerWaalsContact O-CG 3.31Å; R291-M295 WeakPolarHBondContact O-CG 3.33Å; R291-M295 PolarHBondContact O-N 3.02Å |
| 292 | A | 67.7 | Low | 66.4 | Low | 56 Ų | 56 | 67.9 Ų | 67.9 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K288 S289 V290 L294 M295 L296 | K288-A292 WeakPolarHBondContact O-CB 3.25Å; K288-A292 PolarHBondContact O-N 3.36Å; S289-A292 PolarHBondContact O-N 3.13Å; V290-A292 VanDerWaalsContact C-N 3.32Å; V290-A292 PolarHBondContact O-N 3.08Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 2.99Å; A292-M295 PolarHBondContact O-N 2.85Å; A292-L296 PolarHBondContact O-N 2.7Å |
| 293 | A | 68 | Low | 66.9 | Low | 27 Ų | 27 | 64.8 Ų | 64.8 | 22% | 0.223 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L251 S289 V290 M295 L296 I297 | L251-A293 HydrophobicContact CD1-CB 4Å; S289-A293 WeakPolarHBondContact O-CB 3.38Å; S289-A293 PolarHBondContact O-N 3.4Å; V290-A293 PolarHBondContact O-N 2.57Å; A293-M295 VanDerWaalsContact C-N 3.3Å; A293-M295 PolarHBondContact O-N 3.39Å; A293-L296 VanDerWaalsContact O-CB 3.3Å; A293-L296 WeakPolarHBondContact O-CB 3.33Å; A293-L296 PolarHBondContact O-N 3.44Å; A293-I297 WeakPolarHBondContact O-CG1 3.49Å; A293-I297 PolarHBondContact O-N 3.26Å |
| 294 | L | 66 | Low | 67 | Low | 92 Ų | 92 | 63 Ų | 63 | 48% | 0.482 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.1 | -32.3 | 175.8 | -74.8 | 174.8 | 0 | 0 | 0 | 112.9 | L251 V290 R291 A292 L296 I297 P298 | L251-L294 HydrophobicContact CD2-CD2 4.47Å; V290-L294 HydrophobicContact CG1-CD1 3.82Å; V290-L294 HydrophobicContact CG1-CG 4.13Å; V290-L294 VanDerWaalsContact O-CB 3.29Å; V290-L294 WeakPolarHBondContact O-CB 3.42Å; V290-L294 VanDerWaalsContact O-CG 3.24Å; V290-L294 WeakPolarHBondContact O-CG 3.3Å; V290-L294 PolarHBondContact O-N 3.1Å; R291-L294 PolarHBondContact O-N 3.23Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 2.99Å; L294-L296 VanDerWaalsContact C-N 3.32Å; L294-I297 HydrophobicContact CD2-CD1 3.76Å; L294-P298 WeakPolarHBondContact O-CD 3.33Å |
| 295 | M | 67.1 | Low | 67 | Low | 93 Ų | 93 | 63.2 Ų | 63.2 | 46% | 0.458 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.2 | -27.8 | 172.4 | -75.7 | 175.2 | 169.3 | 0 | 0 | 112.2 | R291 A292 A293 | R291-M295 HydrophobicContact CG-CE 4.15Å; R291-M295 HydrophobicContact CG-SD 4.39Å; R291-M295 VanDerWaalsContact O-CG 3.31Å; R291-M295 WeakPolarHBondContact O-CG 3.33Å; R291-M295 PolarHBondContact O-N 3.02Å; A292-M295 PolarHBondContact O-N 2.85Å; A293-M295 VanDerWaalsContact C-N 3.3Å; A293-M295 PolarHBondContact O-N 3.39Å |
| 296 | L | 66.9 | Low | 67.3 | Low | 28 Ų | 28 | 57.2 Ų | 57.2 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.1 | -31.1 | 178.8 | -148.8 | 74.1 | 0 | 0 | 0 | 112.4 | A292 A293 L294 L299 L300 Y343 | A292-L296 PolarHBondContact O-N 2.7Å; A293-L296 VanDerWaalsContact O-CB 3.3Å; A293-L296 WeakPolarHBondContact O-CB 3.33Å; A293-L296 PolarHBondContact O-N 3.44Å; L294-L296 VanDerWaalsContact C-N 3.32Å; L296-L299 PolarHBondContact O-N 3.3Å; L296-L300 HydrophobicContact CD2-CD1 4.07Å; L296-L300 HydrophobicContact CG-CD1 3.9Å; L296-L300 HydrophobicContact CG-CG 4.34Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.35Å; L296-L300 PolarHBondContact O-N 3.46Å; L296-Y343 HydrophobicContact CD1-CE1 3.78Å; L296-Y343 VanDerWaalsContact CD1-OH 3.25Å; L296-Y343 WeakPolarHBondContact CD1-OH 3.4Å; L296-Y343 WeakPolarHBondContact CD2-OH 3.49Å |
| 297 | I | 62.2 | Low | 67.5 | Low | 56 Ų | 56 | 59 Ų | 59 | 29% | 0.287 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.9 | -50.5 | -177.2 | -53 | 148.2 | 0 | 0 | 0 | 112.4 | L251 A293 L294 L299 L300 | L251-I297 HydrophobicContact CD1-CD1 3.54Å; L251-I297 HydrophobicContact CD1-CG1 3.85Å; L251-I297 HydrophobicContact CD2-CD1 3.19Å; L251-I297 HydrophobicContact CD2-CG1 4.09Å; L251-I297 HydrophobicContact CG-CD1 3.88Å; L251-I297 HydrophobicContact CG-CG1 4.41Å; A293-I297 WeakPolarHBondContact O-CG1 3.49Å; A293-I297 PolarHBondContact O-N 3.26Å; L294-I297 HydrophobicContact CD2-CD1 3.76Å; I297-L299 PolarHBondContact O-N 3.04Å; I297-L300 PolarHBondContact O-N 3.41Å |
| 298 | P | 56.2 | Low | 67.3 | Low | 49 Ų | 49 | 51 Ų | 51 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.4 | -39.9 | 174.9 | -24.1 | 34 | 0 | 0 | 0 | 111.1 | L294 L300 I302 P303 | L294-P298 WeakPolarHBondContact O-CD 3.33Å; P298-L300 VanDerWaalsContact C-N 3.3Å; P298-L300 PolarHBondContact O-N 2.86Å; P298-I302 HydrophobicContact CB-CD1 3.97Å; P298-I302 HydrophobicContact CG-CD1 4.39Å; P298-I302 WeakPolarHBondContact O-CB 3.38Å; P298-I302 PolarHBondContact O-N 2.95Å; P298-I302 VanDerWaalsContact O-N 3.14Å; P298-P303 WeakPolarHBondContact O-CD 3.14Å |
| 299 | L | 63.4 | Low | 67.2 | Low | 16 Ų | 16 | 48.5 Ų | 48.5 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.2 | -26.1 | -171 | -160.6 | 68 | 0 | 0 | 0 | 114.1 | L296 I297 Q335 M338 I339 L342 | L296-L299 PolarHBondContact O-N 3.3Å; I297-L299 PolarHBondContact O-N 3.04Å; L299-Q335 HydrophobicContact CD1-CG 4.34Å; L299-M338 HydrophobicContact CD1-CB 3.69Å; L299-M338 HydrophobicContact CD1-CG 4.33Å; L299-M338 HydrophobicContact CD2-CB 4.2Å; L299-I339 HydrophobicContact CD2-CB 4.46Å; L299-I339 HydrophobicContact CD2-CG1 3.45Å; L299-I339 VanDerWaalsContact CD2-CG1 3.45Å; L299-I339 HydrophobicContact CG-CD1 4.44Å; L299-I339 HydrophobicContact CG-CG1 3.83Å; L299-L342 HydrophobicContact CD2-CD1 3.59Å |
| 300 | L | 65 | Low | 67.1 | Low | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -90 | -15.5 | -174.5 | -68.5 | 169.7 | 0 | 0 | 0 | 114.6 | M163 L296 I297 P298 | M163-L300 HydrophobicContact CB-CD2 3.76Å; M163-L300 HydrophobicContact CG-CD2 3.72Å; M163-L300 HydrophobicContact SD-CD2 4.05Å; L296-L300 HydrophobicContact CD2-CD1 4.07Å; L296-L300 HydrophobicContact CG-CD1 3.9Å; L296-L300 HydrophobicContact CG-CG 4.34Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.35Å; L296-L300 PolarHBondContact O-N 3.46Å; I297-L300 PolarHBondContact O-N 3.41Å; P298-L300 VanDerWaalsContact C-N 3.3Å; P298-L300 PolarHBondContact O-N 2.86Å |
| 301 | G | 65.3 | Low | 67.2 | Low | 7 Ų | 7 | 54.1 Ų | 54.1 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -150.8 | -34.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | N304 I305 | G301-N304 PolarHBondContact O-N 3.24Å; G301-N304 VanDerWaalsContact O-N 3.17Å; G301-I305 VanDerWaalsContact O-CG1 3.3Å; G301-I305 WeakPolarHBondContact O-CG1 3.34Å; G301-I305 PolarHBondContact O-N 2.87Å |
| 302 | I | 69.7 | Low | 66.9 | Low | 77 Ų | 77 | 51.3 Ų | 51.3 | 40% | 0.395 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.3 | -46.3 | -174.3 | -60.6 | -175.3 | 0 | 0 | 0 | 112.5 | P298 N304 I305 M306 | P298-I302 HydrophobicContact CB-CD1 3.97Å; P298-I302 HydrophobicContact CG-CD1 4.39Å; P298-I302 WeakPolarHBondContact O-CB 3.38Å; P298-I302 PolarHBondContact O-N 2.95Å; P298-I302 VanDerWaalsContact O-N 3.14Å; I302-N304 PolarHBondContact O-N 3.47Å; I302-I305 PolarHBondContact O-N 3.3Å; I302-I305 VanDerWaalsContact O-N 3.17Å; I302-M306 HydrophobicContact CG2-CG 4.07Å; I302-M306 HydrophobicContact CG2-SD 3.99Å; I302-M306 WeakPolarHBondContact O-CG 3.42Å; I302-M306 PolarHBondContact O-N 3.21Å |
| 303 | P | 72.7 | Confident | 66.8 | Low | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.7 | -37.9 | 177.1 | -10.2 | 10.1 | 0 | 0 | 0 | 113.1 | P298 M306 Q307 F331 Y332 | P298-P303 WeakPolarHBondContact O-CD 3.14Å; P303-M306 PolarHBondContact O-N 3.44Å; P303-Q307 PolarHBondContact O-N 3.48Å; P303-Q307 VanDerWaalsContact O-N 3.13Å; P303-F331 HydrophobicContact CB-CB 3.92Å; P303-F331 HydrophobicContact CG-CB 3.99Å; P303-Y332 HydrophobicContact CB-CD2 4.48Å |
| 304 | N | 69.4 | Low | 66.7 | Low | 24 Ų | 24 | 51 Ų | 51 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -44.4 | 177.4 | -68.1 | -50.1 | 0 | 0 | 0 | 111.5 | M163 L240 G301 I302 M306 Q307 T308 Y332 | M163-N304 WeakPolarHBondContact CE-ND2 3.42Å; L240-N304 HydrophobicContact CD1-CB 4.46Å; L240-N304 HydrophobicContact CD2-CB 3.92Å; G301-N304 PolarHBondContact O-N 3.24Å; G301-N304 VanDerWaalsContact O-N 3.17Å; I302-N304 PolarHBondContact O-N 3.47Å; N304-M306 VanDerWaalsContact C-N 3.32Å; N304-M306 PolarHBondContact O-N 3.01Å; N304-Q307 PolarHBondContact O-N 2.95Å; N304-T308 PolarHBondContact O-N 2.92Å; N304-T308 VanDerWaalsContact O-N 3.14Å; N304-T308 PolarHBondContact O-OG1 3.01Å; N304-T308 VanDerWaalsContact O-OG1 3.05Å; N304-Y332 WeakPolarHBondContact OD1-CE2 3.12Å |
| 305 | I | 69.5 | Low | 66.5 | Low | 47 Ų | 47 | 52.6 Ų | 52.6 | 24% | 0.241 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 176.3 | -62.4 | 162.9 | 0 | 0 | 0 | 110.6 | L240 V244 G301 I302 Q307 T308 I309 | L240-I305 HydrophobicContact CB-CG1 4.35Å; L240-I305 HydrophobicContact CD1-CG1 4.36Å; L240-I305 HydrophobicContact CD2-CG1 4.06Å; V244-I305 HydrophobicContact CG2-CD1 3.58Å; G301-I305 VanDerWaalsContact O-CG1 3.3Å; G301-I305 WeakPolarHBondContact O-CG1 3.34Å; G301-I305 PolarHBondContact O-N 2.87Å; I302-I305 PolarHBondContact O-N 3.3Å; I302-I305 VanDerWaalsContact O-N 3.17Å; I305-Q307 VanDerWaalsContact C-N 3.29Å; I305-Q307 PolarHBondContact O-N 3.47Å; I305-T308 PolarHBondContact O-N 3.03Å; I305-T308 VanDerWaalsContact O-N 3.15Å; I305-I309 HydrophobicContact CG2-CD1 4.01Å; I305-I309 WeakPolarHBondContact O-CG1 3.43Å; I305-I309 PolarHBondContact O-N 3.32Å |
| 306 | M | 72.5 | Confident | 66.6 | Low | 32 Ų | 32 | 55.1 Ų | 55.1 | 16% | 0.158 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -38.5 | -179.4 | -72.7 | -176.3 | 77.7 | 0 | 0 | 111.8 | I302 P303 N304 T308 F324 V327 A328 | I302-M306 HydrophobicContact CG2-CG 4.07Å; I302-M306 HydrophobicContact CG2-SD 3.99Å; I302-M306 WeakPolarHBondContact O-CG 3.42Å; I302-M306 PolarHBondContact O-N 3.21Å; P303-M306 PolarHBondContact O-N 3.44Å; N304-M306 VanDerWaalsContact C-N 3.32Å; N304-M306 PolarHBondContact O-N 3.01Å; M306-T308 VanDerWaalsContact C-N 3.32Å; M306-F324 HydrophobicContact CB-CZ 4.27Å; M306-F324 HydrophobicContact CE-CD2 4.06Å; M306-F324 HydrophobicContact CE-CE2 3.9Å; M306-F324 HydrophobicContact CG-CE2 4.46Å; M306-F324 WeakPolarHBondContact O-CE1 3.4Å; M306-F324 VanDerWaalsContact O-CZ 3.26Å; M306-F324 WeakPolarHBondContact O-CZ 3.07Å; M306-V327 HydrophobicContact CE-CB 4.34Å; M306-V327 HydrophobicContact CE-CG1 3.95Å; M306-A328 HydrophobicContact CB-CB 3.75Å; M306-A328 HydrophobicContact CE-CB 3.79Å; M306-A328 HydrophobicContact SD-CB 4.46Å |
| 307 | Q | 68.5 | Low | 67 | Low | 75 Ų | 75 | 57.4 Ų | 57.4 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.8 | -28.1 | 177.7 | -169.1 | 176.8 | -15.3 | 0 | 0 | 112.5 | P303 N304 I305 Y332 | P303-Q307 PolarHBondContact O-N 3.48Å; P303-Q307 VanDerWaalsContact O-N 3.13Å; N304-Q307 PolarHBondContact O-N 2.95Å; I305-Q307 VanDerWaalsContact C-N 3.29Å; I305-Q307 PolarHBondContact O-N 3.47Å; Q307-Y332 HydrophobicContact CB-CD2 4.44Å; Q307-Y332 VanDerWaalsContact OE1-CG 3.3Å |
| 308 | T | 67.5 | Low | 67.6 | Low | 13 Ų | 13 | 56 Ų | 56 | 8% | 0.08 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -77 | -26.2 | -179.9 | -54.3 | 0 | 0 | 0 | 0 | 113.5 | D233 L237 N304 I305 M306 P310 | D233-T308 VanDerWaalsContact CG-CG2 3.43Å; D233-T308 WeakPolarHBondContact OD1-CG2 3.46Å; D233-T308 WeakPolarHBondContact OD2-CG2 3.19Å; L237-T308 HydrophobicContact CD1-CG2 3.76Å; L237-T308 HydrophobicContact CD2-CG2 3.3Å; L237-T308 HydrophobicContact CG-CG2 3.44Å; L237-T308 VanDerWaalsContact CG-CG2 3.44Å; N304-T308 PolarHBondContact O-N 2.92Å; N304-T308 VanDerWaalsContact O-N 3.14Å; N304-T308 PolarHBondContact O-OG1 3.01Å; N304-T308 VanDerWaalsContact O-OG1 3.05Å; I305-T308 PolarHBondContact O-N 3.03Å; I305-T308 VanDerWaalsContact O-N 3.15Å; M306-T308 VanDerWaalsContact C-N 3.32Å; T308-P310 WeakPolarHBondContact O-CD 3.28Å |
| 309 | I | 69.4 | Low | 68.8 | Low | 86 Ų | 86 | 59.6 Ų | 59.6 | 44% | 0.441 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -76.4 | 112.9 | 179.5 | -62.7 | 165.2 | 0 | 0 | 0 | 109.1 | I305 F311 F324 | I305-I309 HydrophobicContact CG2-CD1 4.01Å; I305-I309 WeakPolarHBondContact O-CG1 3.43Å; I305-I309 PolarHBondContact O-N 3.32Å; I309-F311 VanDerWaalsContact C-N 3.33Å; I309-F311 PolarHBondContact O-N 3.09Å; I309-F324 HydrophobicContact CB-CZ 4.31Å |
| 310 | P | 64.5 | Low | 69.7 | Low | 101 Ų | 101 | 60.5 Ų | 60.5 | 66% | 0.656 | 32% | 0.318 | S | S | * | . | trans | -74.8 | 88.5 | 177.6 | 31.7 | -33.5 | 0 | 0 | 0 | 109.2 | T308 Q312 | T308-P310 WeakPolarHBondContact O-CD 3.28Å; P310-Q312 PolarHBondContact O-N 3.15Å | ||
| 311 | F | 68.9 | Low | 70.4 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 33% | 0.333 | 32% | 0.322 | S | S | . | . | trans | -77.9 | 107.1 | 171.8 | -161.2 | -101.1 | 0 | 0 | 0 | 108.3 | I309 N317 F321 F324 | I309-F311 VanDerWaalsContact C-N 3.33Å; I309-F311 PolarHBondContact O-N 3.09Å; F311-N317 HydrophobicContact CE1-CB 4.32Å; F311-N317 HydrophobicContact CZ-CB 4.23Å; F311-F321 HydrophobicContact CD1-CB 3.8Å; F311-F321 AromaticContact CD1-CD2 3.88Å; F311-F321 HydrophobicContact CD1-CD2 3.88Å; F311-F321 HydrophobicContact CD1-CG 4.32Å; F311-F321 VanDerWaalsContact CE1-CA 3.49Å; F311-F321 HydrophobicContact CE1-CB 3.8Å; F311-F321 WeakPolarHBondContact O-CD2 3.26Å; F311-F321 WeakPolarHBondContact O-CE2 3.49Å; F311-F324 HydrophobicContact CB-CD1 3.58Å; F311-F324 HydrophobicContact CB-CE1 3.75Å; F311-F324 HydrophobicContact CB-CG 4.32Å; F311-F324 HydrophobicContact CD1-CB 4.43Å; F311-F324 HydrophobicContact CG-CD1 4.11Å; F311-F324 HydrophobicContact CG-CG 4.39Å | ||
| 312 | Q | 65 | Low | 71.3 | Confident | 109 Ų | 109 | 61.8 Ų | 61.8 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | trans | -86.5 | 139.7 | -178.1 | -68 | -180 | -10.1 | 0 | 0 | 110.9 | P310 T314 | P310-Q312 PolarHBondContact O-N 3.15Å; Q312-T314 PolarHBondContact O-N 2.76Å | ||
| 313 | P | 65.5 | Low | 72.1 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 25% | 0.253 | 33% | 0.331 | S | S | . | . | trans | -70.5 | 115.9 | 176.7 | 28.8 | -32.1 | 0 | 0 | 0 | 109.8 | F321 | P313-F321 HydrophobicContact CB-CB 4.42Å; P313-F321 HydrophobicContact CB-CD1 4.06Å; P313-F321 HydrophobicContact CB-CD2 4.03Å; P313-F321 HydrophobicContact CB-CE1 4.35Å; P313-F321 HydrophobicContact CB-CE2 4.35Å; P313-F321 HydrophobicContact CB-CG 3.9Å; P313-F321 HydrophobicContact CG-CD2 4.42Å; P313-F321 HydrophobicContact CG-CE2 4.29Å; P313-F321 HydrophobicContact CG-CZ 4.4Å | ||
| 314 | T | 64.8 | Low | 72.7 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 24% | 0.239 | 34% | 0.341 | C | S | . | . | trans | -104.1 | 160.1 | 166.1 | 66.4 | 0 | 0 | 0 | 0 | 109.8 | Q312 E316 N317 I318 | Q312-T314 PolarHBondContact O-N 2.76Å; T314-E316 PolarHBondContact O-N 3.4Å; T314-E316 VanDerWaalsContact O-N 3.16Å; T314-N317 PolarHBondContact O-N 2.79Å; T314-N317 VanDerWaalsContact O-N 3.09Å; T314-N317 VanDerWaalsContact OG1-CB 3.28Å; T314-N317 WeakPolarHBondContact OG1-CB 3.46Å; T314-N317 PolarHBondContact OG1-N 3.06Å; T314-N317 PolarHBondContact OG1-ND2 3.48Å; T314-I318 PolarHBondContact O-N 3.14Å | ||
| 315 | K | 62.4 | Low | 73.3 | Confident | 124 Ų | 124 | 64.9 Ų | 64.9 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -35.3 | 178.9 | -169.4 | -175.6 | 178 | -172.9 | 0 | 112.6 | L50 | L50-K315 HydrophobicContact CB-CD 4.25Š|
| 316 | E | 69.2 | Low | 74.1 | Confident | 147 Ų | 147 | 66.6 Ų | 66.6 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -27.9 | -179.4 | -62.4 | -179.3 | 175.5 | 0 | 0 | 112.8 | I15 T314 | I15-E316 HydrophobicContact CD1-CG 4.43Å; T314-E316 PolarHBondContact O-N 3.4Å; T314-E316 VanDerWaalsContact O-N 3.16Å |
| 317 | N | 75.1 | Confident | 74.7 | Confident | 76 Ų | 76 | 67.9 Ų | 67.9 | 41% | 0.406 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 17 | -171.9 | -62.2 | -28.8 | 0 | 0 | 0 | 114 | F311 T314 I319 G320 F321 | F311-N317 HydrophobicContact CE1-CB 4.32Å; F311-N317 HydrophobicContact CZ-CB 4.23Å; T314-N317 PolarHBondContact O-N 2.79Å; T314-N317 VanDerWaalsContact O-N 3.09Å; T314-N317 VanDerWaalsContact OG1-CB 3.28Å; T314-N317 WeakPolarHBondContact OG1-CB 3.46Å; T314-N317 PolarHBondContact OG1-N 3.06Å; T314-N317 PolarHBondContact OG1-ND2 3.48Å; N317-I319 VanDerWaalsContact C-N 3.25Å; N317-I319 PolarHBondContact O-N 2.62Å; N317-G320 CarbonylContact O-C 3.58Å; N317-G320 WeakPolarHBondContact O-CA 3.38Å; N317-G320 PolarHBondContact O-N 3.37Å; N317-F321 WeakPolarHBondContact O-CB 3.49Å; N317-F321 PolarHBondContact O-N 2.01Å |
| 318 | I | 75.6 | Confident | 75.5 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.8 | -34.7 | -176.3 | -162.5 | 159.3 | 0 | 0 | 0 | 113.1 | D52 K55 I59 T314 A322 | D52-I318 HydrophobicContact CB-CD1 4.22Å; K55-I318 HydrophobicContact CB-CD1 4.1Å; K55-I318 HydrophobicContact CD-CD1 3.88Å; K55-I318 HydrophobicContact CG-CD1 3.96Å; I59-I318 HydrophobicContact CD1-CG1 4.26Å; T314-I318 PolarHBondContact O-N 3.14Å; I318-A322 WeakPolarHBondContact O-CB 3.36Å; I318-A322 PolarHBondContact O-N 2.94Å |
| 319 | I | 81.2 | Confident | 76.2 | Confident | 125 Ų | 125 | 64.5 Ų | 64.5 | 64% | 0.641 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.9 | -45 | 174.6 | -60.8 | 173.9 | 0 | 0 | 0 | 110.2 | N317 F321 A322 V323 | N317-I319 VanDerWaalsContact C-N 3.25Å; N317-I319 PolarHBondContact O-N 2.62Å; I319-F321 VanDerWaalsContact C-N 3.27Å; I319-F321 PolarHBondContact O-N 3.21Å; I319-A322 PolarHBondContact O-N 2.97Å; I319-V323 HydrophobicContact CG2-CG2 4.39Å; I319-V323 WeakPolarHBondContact O-CG2 3.4Å; I319-V323 PolarHBondContact O-N 2.89Å |
| 320 | G | 83 | Confident | 77.1 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 36% | 0.361 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N317 F324 | N317-G320 CarbonylContact O-C 3.58Å; N317-G320 WeakPolarHBondContact O-CA 3.38Å; N317-G320 PolarHBondContact O-N 3.37Å; G320-F324 WeakPolarHBondContact O-CB 3.4Å; G320-F324 PolarHBondContact O-N 3.13Å |
| 321 | F | 79.9 | Confident | 78.1 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -50.1 | 174.5 | 172.5 | -93 | 0 | 0 | 0 | 110.7 | I59 F311 P313 N317 I319 V323 F324 T325 | I59-F321 HydrophobicContact CG2-CD1 4.42Å; I59-F321 HydrophobicContact CG2-CE1 4.13Å; F311-F321 HydrophobicContact CD1-CB 3.8Å; F311-F321 AromaticContact CD1-CD2 3.88Å; F311-F321 HydrophobicContact CD1-CD2 3.88Å; F311-F321 HydrophobicContact CD1-CG 4.32Å; F311-F321 VanDerWaalsContact CE1-CA 3.49Å; F311-F321 HydrophobicContact CE1-CB 3.8Å; F311-F321 WeakPolarHBondContact O-CD2 3.26Å; F311-F321 WeakPolarHBondContact O-CE2 3.49Å; P313-F321 HydrophobicContact CB-CB 4.42Å; P313-F321 HydrophobicContact CB-CD1 4.06Å; P313-F321 HydrophobicContact CB-CD2 4.03Å; P313-F321 HydrophobicContact CB-CE1 4.35Å; P313-F321 HydrophobicContact CB-CE2 4.35Å; P313-F321 HydrophobicContact CB-CG 3.9Å; P313-F321 HydrophobicContact CG-CD2 4.42Å; P313-F321 HydrophobicContact CG-CE2 4.29Å; P313-F321 HydrophobicContact CG-CZ 4.4Å; N317-F321 WeakPolarHBondContact O-CB 3.49Å; N317-F321 PolarHBondContact O-N 2.01Å; I319-F321 VanDerWaalsContact C-N 3.27Å; I319-F321 PolarHBondContact O-N 3.21Å; F321-V323 PolarHBondContact O-N 3.32Å; F321-F324 PolarHBondContact O-N 3.26Å; F321-T325 VanDerWaalsContact O-CB 3.3Å; F321-T325 WeakPolarHBondContact O-CB 3Å; F321-T325 PolarHBondContact O-N 3.27Å; F321-T325 PolarHBondContact O-OG1 2.95Å |
| 322 | A | 82.9 | Confident | 78.9 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.7 | -52 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | I59 I318 I319 F324 T325 Y326 | I59-A322 HydrophobicContact CD1-CB 3.8Å; I59-A322 HydrophobicContact CG1-CB 4.23Å; I59-A322 HydrophobicContact CG2-CB 4.15Å; I318-A322 WeakPolarHBondContact O-CB 3.36Å; I318-A322 PolarHBondContact O-N 2.94Å; I319-A322 PolarHBondContact O-N 2.97Å; A322-F324 PolarHBondContact O-N 2.8Å; A322-T325 PolarHBondContact O-N 3.18Å; A322-Y326 WeakPolarHBondContact O-CB 3.42Å; A322-Y326 WeakPolarHBondContact O-CD2 3.35Å; A322-Y326 PolarHBondContact O-N 3.23Å |
| 323 | V | 86.7 | Confident | 79.9 | Confident | 86 Ų | 86 | 56.2 Ų | 56.2 | 52% | 0.521 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -48.4 | -179.7 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | I319 F321 Y326 V327 | I319-V323 HydrophobicContact CG2-CG2 4.39Å; I319-V323 WeakPolarHBondContact O-CG2 3.4Å; I319-V323 PolarHBondContact O-N 2.89Å; F321-V323 PolarHBondContact O-N 3.32Å; V323-Y326 PolarHBondContact O-N 3.14Å; V323-V327 HydrophobicContact CG1-CG2 4.21Å; V323-V327 VanDerWaalsContact O-CB 3.29Å; V323-V327 WeakPolarHBondContact O-CB 3.01Å; V323-V327 WeakPolarHBondContact O-CG2 3.46Å; V323-V327 PolarHBondContact O-N 2.9Å |
| 324 | F | 85.2 | Confident | 81 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 179.5 | -179.2 | -95.8 | 0 | 0 | 0 | 111.6 | M306 I309 F311 G320 F321 A322 V327 A328 | M306-F324 HydrophobicContact CB-CZ 4.27Å; M306-F324 HydrophobicContact CE-CD2 4.06Å; M306-F324 HydrophobicContact CE-CE2 3.9Å; M306-F324 HydrophobicContact CG-CE2 4.46Å; M306-F324 WeakPolarHBondContact O-CE1 3.4Å; M306-F324 VanDerWaalsContact O-CZ 3.26Å; M306-F324 WeakPolarHBondContact O-CZ 3.07Å; I309-F324 HydrophobicContact CB-CZ 4.31Å; F311-F324 HydrophobicContact CB-CD1 3.58Å; F311-F324 HydrophobicContact CB-CE1 3.75Å; F311-F324 HydrophobicContact CB-CG 4.32Å; F311-F324 HydrophobicContact CD1-CB 4.43Å; F311-F324 HydrophobicContact CG-CD1 4.11Å; F311-F324 HydrophobicContact CG-CG 4.39Å; G320-F324 WeakPolarHBondContact O-CB 3.4Å; G320-F324 PolarHBondContact O-N 3.13Å; F321-F324 PolarHBondContact O-N 3.26Å; A322-F324 PolarHBondContact O-N 2.8Å; F324-V327 PolarHBondContact O-N 3.03Å; F324-A328 WeakPolarHBondContact O-CB 3.23Å; F324-A328 PolarHBondContact O-N 3.46Å |
| 325 | T | 81.4 | Confident | 82.1 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 179.6 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | A63 F321 A322 V327 A328 S329 | A63-T325 HydrophobicContact CB-CG2 3.99Å; F321-T325 VanDerWaalsContact O-CB 3.3Å; F321-T325 WeakPolarHBondContact O-CB 3Å; F321-T325 PolarHBondContact O-N 3.27Å; F321-T325 PolarHBondContact O-OG1 2.95Å; A322-T325 PolarHBondContact O-N 3.18Å; T325-V327 PolarHBondContact O-N 3.07Å; T325-A328 PolarHBondContact O-N 3.3Å; T325-S329 VanDerWaalsContact O-CB 3.24Å; T325-S329 WeakPolarHBondContact O-CB 3.03Å; T325-S329 PolarHBondContact O-N 3.39Å; T325-S329 PolarHBondContact O-OG 3.08Å; T325-S329 VanDerWaalsContact O-OG 3.09Å |
| 326 | Y | 86.6 | Confident | 83.4 | Confident | 84 Ų | 84 | 48.6 Ų | 48.6 | 33% | 0.329 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 179.1 | -81.7 | -65.7 | 0 | 0 | 0 | 112.6 | I59 A63 L66 A322 V323 F330 | I59-Y326 HydrophobicContact CG2-CE2 3.97Å; A63-Y326 HydrophobicContact CB-CD1 4.47Å; A63-Y326 HydrophobicContact CB-CE1 4.25Å; L66-Y326 HydrophobicContact CD2-CD1 4.03Å; A322-Y326 WeakPolarHBondContact O-CB 3.42Å; A322-Y326 WeakPolarHBondContact O-CD2 3.35Å; A322-Y326 PolarHBondContact O-N 3.23Å; V323-Y326 PolarHBondContact O-N 3.14Å; Y326-F330 WeakPolarHBondContact O-CB 3.41Å; Y326-F330 PolarHBondContact O-N 3.38Å |
| 327 | V | 86.3 | Confident | 84.4 | Confident | 58 Ų | 58 | 44 Ų | 44 | 35% | 0.352 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.6 | -44.8 | 179.7 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | M306 V323 F324 T325 F330 F331 | M306-V327 HydrophobicContact CE-CB 4.34Å; M306-V327 HydrophobicContact CE-CG1 3.95Å; V323-V327 HydrophobicContact CG1-CG2 4.21Å; V323-V327 VanDerWaalsContact O-CB 3.29Å; V323-V327 WeakPolarHBondContact O-CB 3.01Å; V323-V327 WeakPolarHBondContact O-CG2 3.46Å; V323-V327 PolarHBondContact O-N 2.9Å; F324-V327 PolarHBondContact O-N 3.03Å; T325-V327 PolarHBondContact O-N 3.07Å; V327-F330 PolarHBondContact O-N 2.99Å; V327-F331 HydrophobicContact CG1-CD2 3.67Å; V327-F331 HydrophobicContact CG1-CE2 3.63Å; V327-F331 VanDerWaalsContact O-CD2 3.27Å; V327-F331 WeakPolarHBondContact O-CD2 3.31Å; V327-F331 PolarHBondContact O-N 3.21Å |
| 328 | A | 84 | Confident | 85 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.2 | -51.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | M306 F324 T325 F330 F331 Y332 | M306-A328 HydrophobicContact CB-CB 3.75Å; M306-A328 HydrophobicContact CE-CB 3.79Å; M306-A328 HydrophobicContact SD-CB 4.46Å; F324-A328 WeakPolarHBondContact O-CB 3.23Å; F324-A328 PolarHBondContact O-N 3.46Å; T325-A328 PolarHBondContact O-N 3.3Å; A328-F330 VanDerWaalsContact C-N 3.35Å; A328-F330 PolarHBondContact O-N 3.32Å; A328-F331 PolarHBondContact O-N 3.01Å; A328-Y332 WeakPolarHBondContact O-CB 3.1Å; A328-Y332 PolarHBondContact O-N 3.4Å |
| 329 | S | 83.8 | Confident | 85.6 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 8% | 0.077 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.7 | -67.7 | 0 | 0 | 0 | 0 | 111 | E67 T325 F331 Y332 M333 | E67-S329 PolarHBondContact OE1-OG 3.27Å; T325-S329 VanDerWaalsContact O-CB 3.24Å; T325-S329 WeakPolarHBondContact O-CB 3.03Å; T325-S329 PolarHBondContact O-N 3.39Å; T325-S329 PolarHBondContact O-OG 3.08Å; T325-S329 VanDerWaalsContact O-OG 3.09Å; S329-F331 PolarHBondContact O-N 3.18Å; S329-Y332 PolarHBondContact O-N 3.27Å; S329-M333 VanDerWaalsContact O-CB 3.31Å; S329-M333 WeakPolarHBondContact O-CB 3.48Å; S329-M333 WeakPolarHBondContact O-CG 3.2Å; S329-M333 PolarHBondContact O-N 3.31Å |
| 330 | F | 87.5 | Confident | 85.9 | Confident | 78 Ų | 78 | 36.6 Ų | 36.6 | 34% | 0.342 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.1 | -53.8 | 177 | 178.4 | -93.6 | 0 | 0 | 0 | 111.9 | L66 Y326 V327 A328 Y332 M333 F334 | L66-F330 HydrophobicContact CD2-CB 4.42Å; Y326-F330 WeakPolarHBondContact O-CB 3.41Å; Y326-F330 PolarHBondContact O-N 3.38Å; V327-F330 PolarHBondContact O-N 2.99Å; A328-F330 VanDerWaalsContact C-N 3.35Å; A328-F330 PolarHBondContact O-N 3.32Å; F330-Y332 VanDerWaalsContact C-N 3.31Å; F330-Y332 PolarHBondContact O-N 2.93Å; F330-M333 PolarHBondContact O-N 3.17Å; F330-F334 AromaticContact CD2-CD2 3.67Å; F330-F334 HydrophobicContact CD2-CD2 3.67Å; F330-F334 AromaticContact CD2-CE2 3.68Å; F330-F334 HydrophobicContact CD2-CE2 3.68Å; F330-F334 AromaticContact CE2-CD2 3.75Å; F330-F334 HydrophobicContact CE2-CD2 3.75Å; F330-F334 AromaticContact CE2-CE2 3.76Å; F330-F334 HydrophobicContact CE2-CE2 3.76Å; F330-F334 HydrophobicContact CE2-CG 4.24Å; F330-F334 HydrophobicContact CE2-CZ 4.24Å; F330-F334 HydrophobicContact CG-CD2 4.25Å; F330-F334 HydrophobicContact CZ-CD2 4.39Å; F330-F334 WeakPolarHBondContact O-CB 3.32Å; F330-F334 VanDerWaalsContact O-CD2 3.29Å; F330-F334 WeakPolarHBondContact O-CD2 3.46Å; F330-F334 PolarHBondContact O-N 2.76Å; F330-F334 VanDerWaalsContact O-N 3.14Å |
| 331 | F | 85.7 | Confident | 86.1 | Confident | 92 Ų | 92 | 37 Ų | 37 | 40% | 0.404 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.6 | -37.6 | -177.8 | -82.3 | -65.4 | 0 | 0 | 0 | 112.7 | P303 V327 A328 S329 Q335 | P303-F331 HydrophobicContact CB-CB 3.92Å; P303-F331 HydrophobicContact CG-CB 3.99Å; V327-F331 HydrophobicContact CG1-CD2 3.67Å; V327-F331 HydrophobicContact CG1-CE2 3.63Å; V327-F331 VanDerWaalsContact O-CD2 3.27Å; V327-F331 WeakPolarHBondContact O-CD2 3.31Å; V327-F331 PolarHBondContact O-N 3.21Å; A328-F331 PolarHBondContact O-N 3.01Å; S329-F331 PolarHBondContact O-N 3.18Å; F331-Q335 WeakPolarHBondContact O-CB 3.47Å; F331-Q335 PolarHBondContact O-N 2.87Å |
| 332 | Y | 84.3 | Confident | 86.3 | Confident | 25 Ų | 25 | 38.9 Ų | 38.9 | 10% | 0.098 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.6 | -43.9 | -179.6 | -176.1 | -81.6 | 0 | 0 | 0 | 111.7 | P303 N304 Q307 A328 S329 F330 Q335 | P303-Y332 HydrophobicContact CB-CD2 4.48Å; N304-Y332 WeakPolarHBondContact OD1-CE2 3.12Å; Q307-Y332 HydrophobicContact CB-CD2 4.44Å; Q307-Y332 VanDerWaalsContact OE1-CG 3.3Å; A328-Y332 WeakPolarHBondContact O-CB 3.1Å; A328-Y332 PolarHBondContact O-N 3.4Å; S329-Y332 PolarHBondContact O-N 3.27Å; F330-Y332 VanDerWaalsContact C-N 3.31Å; F330-Y332 PolarHBondContact O-N 2.93Å; Y332-Q335 WeakPolarHBondContact O-CB 3.38Å; Y332-Q335 PolarHBondContact O-N 3.48Å |
| 333 | M | 86.5 | Confident | 86.4 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -79 | -31.2 | -170.7 | -55.6 | -70.4 | 160.4 | 0 | 0 | 112.5 | E67 G70 L71 S74 R113 S329 F330 Q335 | E67-M333 HydrophobicContact CB-CE 3.88Å; E67-M333 HydrophobicContact CB-CG 3.88Å; E67-M333 HydrophobicContact CB-SD 3.64Å; E67-M333 HydrophobicContact CG-CE 3.32Å; E67-M333 HydrophobicContact CG-CG 3.71Å; E67-M333 HydrophobicContact CG-SD 3.73Å; E67-M333 VanDerWaalsContact OE1-CE 3.24Å; E67-M333 WeakPolarHBondContact OE1-CE 3.41Å; G70-M333 CarbonylContact C-O 3.59Å; L71-M333 HydrophobicContact CD1-SD 3.89Å; L71-M333 HydrophobicContact CD2-SD 3.88Å; L71-M333 HydrophobicContact CG-SD 3.7Å; S74-M333 PolarHBondContact OG-O 2.73Å; R113-M333 VanDerWaalsContact NH1-CE 3.33Å; S329-M333 VanDerWaalsContact O-CB 3.31Å; S329-M333 WeakPolarHBondContact O-CB 3.48Å; S329-M333 WeakPolarHBondContact O-CG 3.2Å; S329-M333 PolarHBondContact O-N 3.31Å; F330-M333 PolarHBondContact O-N 3.17Å; M333-Q335 VanDerWaalsContact C-N 3.32Å |
| 334 | F | 88.2 | Confident | 86.4 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 12% | 0.123 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 0.2 | 174.4 | -71.8 | -94.4 | 0 | 0 | 0 | 112.7 | L66 L73 F330 G336 F337 M338 | L66-F334 HydrophobicContact CD1-CE2 4.28Å; L73-F334 HydrophobicContact CD2-CD1 4.13Å; L73-F334 HydrophobicContact CD2-CE1 3.75Å; F330-F334 AromaticContact CD2-CD2 3.67Å; F330-F334 HydrophobicContact CD2-CD2 3.67Å; F330-F334 AromaticContact CD2-CE2 3.68Å; F330-F334 HydrophobicContact CD2-CE2 3.68Å; F330-F334 AromaticContact CE2-CD2 3.75Å; F330-F334 HydrophobicContact CE2-CD2 3.75Å; F330-F334 AromaticContact CE2-CE2 3.76Å; F330-F334 HydrophobicContact CE2-CE2 3.76Å; F330-F334 HydrophobicContact CE2-CG 4.24Å; F330-F334 HydrophobicContact CE2-CZ 4.24Å; F330-F334 HydrophobicContact CG-CD2 4.25Å; F330-F334 HydrophobicContact CZ-CD2 4.39Å; F330-F334 WeakPolarHBondContact O-CB 3.32Å; F330-F334 VanDerWaalsContact O-CD2 3.29Å; F330-F334 WeakPolarHBondContact O-CD2 3.46Å; F330-F334 PolarHBondContact O-N 2.76Å; F330-F334 VanDerWaalsContact O-N 3.14Å; F334-G336 VanDerWaalsContact C-N 3.35Å; F334-G336 PolarHBondContact O-N 2.92Å; F334-F337 HydrophobicContact CD1-CD1 4.12Å; F334-F337 WeakPolarHBondContact O-CB 3.5Å; F334-F337 PolarHBondContact O-N 3.47Å; F334-M338 HydrophobicContact CB-CE 4.46Å; F334-M338 HydrophobicContact CB-CG 4.47Å; F334-M338 WeakPolarHBondContact O-CB 3.15Å; F334-M338 VanDerWaalsContact O-CG 3.26Å; F334-M338 WeakPolarHBondContact O-CG 2.98Å; F334-M338 PolarHBondContact O-N 3.13Å |
| 335 | Q | 88.8 | Confident | 86.4 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.1 | -48.5 | -178.8 | -171.7 | -176.9 | -30.9 | 0 | 0 | 111.6 | M163 L299 F331 Y332 M333 F337 M338 I339 | M163-Q335 PolarHBondContact SD-NE2 3.49Å; L299-Q335 HydrophobicContact CD1-CG 4.34Å; F331-Q335 WeakPolarHBondContact O-CB 3.47Å; F331-Q335 PolarHBondContact O-N 2.87Å; Y332-Q335 WeakPolarHBondContact O-CB 3.38Å; Y332-Q335 PolarHBondContact O-N 3.48Å; M333-Q335 VanDerWaalsContact C-N 3.32Å; Q335-F337 PolarHBondContact O-N 2.77Å; Q335-M338 PolarHBondContact O-N 3.46Å; Q335-I339 HydrophobicContact CG-CD1 3.79Å; Q335-I339 HydrophobicContact CG-CG1 4.45Å; Q335-I339 WeakPolarHBondContact O-CB 3.38Å; Q335-I339 WeakPolarHBondContact O-CG1 2.98Å; Q335-I339 PolarHBondContact O-N 3.29Å |
| 336 | G | 89 | Confident | 86.3 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.031 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F334 A340 | F334-G336 VanDerWaalsContact C-N 3.35Å; F334-G336 PolarHBondContact O-N 2.92Å; G336-A340 WeakPolarHBondContact O-CB 3.22Å; G336-A340 PolarHBondContact O-N 2.98Å |
| 337 | F | 90 | Very high | 86 | Confident | 52 Ų | 52 | 37 Ų | 37 | 23% | 0.228 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.4 | -52 | 173.7 | 168.7 | -102.5 | 0 | 0 | 0 | 112.3 | L73 S74 C77 F334 Q335 I339 A340 V341 | L73-F337 HydrophobicContact CD1-CD2 4.23Å; L73-F337 HydrophobicContact CD1-CE2 4.37Å; L73-F337 HydrophobicContact CD2-CD1 4.42Å; L73-F337 HydrophobicContact CD2-CD2 3.77Å; L73-F337 HydrophobicContact CD2-CE2 4Å; L73-F337 HydrophobicContact CD2-CG 4Å; L73-F337 HydrophobicContact CD2-CZ 4.41Å; L73-F337 HydrophobicContact CG-CB 4.5Å; L73-F337 HydrophobicContact CG-CD2 3.74Å; L73-F337 HydrophobicContact CG-CE2 4.23Å; L73-F337 HydrophobicContact CG-CG 4.21Å; S74-F337 PolarHBondContact OG-N 2.86Å; C77-F337 HydrophobicContact CB-CD2 4.26Å; C77-F337 VanDerWaalsContact SG-CD2 3.58Å; F334-F337 HydrophobicContact CD1-CD1 4.12Å; F334-F337 WeakPolarHBondContact O-CB 3.5Å; F334-F337 PolarHBondContact O-N 3.47Å; Q335-F337 PolarHBondContact O-N 2.77Å; F337-I339 PolarHBondContact O-N 2Å; F337-A340 PolarHBondContact O-N 3.35Å; F337-V341 HydrophobicContact CD2-CG2 4.17Å; F337-V341 HydrophobicContact CE1-CG2 4.21Å; F337-V341 HydrophobicContact CE2-CG2 3.74Å; F337-V341 HydrophobicContact CZ-CG2 3.76Å; F337-V341 WeakPolarHBondContact O-CG2 3.5Å; F337-V341 PolarHBondContact O-N 3.16Å |
| 338 | M | 87.7 | Confident | 85.3 | Confident | 69 Ų | 69 | 42.4 Ų | 42.4 | 34% | 0.34 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.2 | -43.3 | -178.2 | -67.6 | -63.2 | 177 | 0 | 0 | 111.5 | L299 F334 Q335 V341 L342 | L299-M338 HydrophobicContact CD1-CB 3.69Å; L299-M338 HydrophobicContact CD1-CG 4.33Å; L299-M338 HydrophobicContact CD2-CB 4.2Å; F334-M338 HydrophobicContact CB-CE 4.46Å; F334-M338 HydrophobicContact CB-CG 4.47Å; F334-M338 WeakPolarHBondContact O-CB 3.15Å; F334-M338 VanDerWaalsContact O-CG 3.26Å; F334-M338 WeakPolarHBondContact O-CG 2.98Å; F334-M338 PolarHBondContact O-N 3.13Å; Q335-M338 PolarHBondContact O-N 3.46Å; M338-V341 PolarHBondContact O-N 3.07Å; M338-L342 WeakPolarHBondContact O-CB 3.43Å; M338-L342 VanDerWaalsContact O-CG 3.26Å; M338-L342 WeakPolarHBondContact O-CG 3.37Å; M338-L342 PolarHBondContact O-N 3.02Å |
| 339 | I | 88.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | 176.9 | -64.5 | 172.2 | 0 | 0 | 0 | 110.3 | L102 F103 I106 L299 Q335 F337 V341 L342 Y343 | L102-I339 HydrophobicContact CD2-CG2 4.21Å; F103-I339 HydrophobicContact CD1-CG2 4.18Å; F103-I339 HydrophobicContact CE1-CG2 3.63Å; I106-I339 HydrophobicContact CD1-CD1 3.58Å; L299-I339 HydrophobicContact CD2-CB 4.46Å; L299-I339 HydrophobicContact CD2-CG1 3.45Å; L299-I339 VanDerWaalsContact CD2-CG1 3.45Å; L299-I339 HydrophobicContact CG-CD1 4.44Å; L299-I339 HydrophobicContact CG-CG1 3.83Å; Q335-I339 HydrophobicContact CG-CD1 3.79Å; Q335-I339 HydrophobicContact CG-CG1 4.45Å; Q335-I339 WeakPolarHBondContact O-CB 3.38Å; Q335-I339 WeakPolarHBondContact O-CG1 2.98Å; Q335-I339 PolarHBondContact O-N 3.29Å; F337-I339 PolarHBondContact O-N 2Å; I339-V341 PolarHBondContact O-N 3Å; I339-L342 PolarHBondContact O-N 3.23Å; I339-Y343 HydrophobicContact CG2-CD2 3.42Å; I339-Y343 VanDerWaalsContact CG2-CD2 3.42Å; I339-Y343 HydrophobicContact CG2-CE2 3.64Å; I339-Y343 HydrophobicContact CG2-CG 4.48Å; I339-Y343 WeakPolarHBondContact O-CB 3.29Å; I339-Y343 PolarHBondContact O-N 2.98Å |
| 340 | A | 89.3 | Confident | 84.3 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C77 L78 A81 G336 F337 C344 F345 | C77-A340 HydrophobicContact CB-CB 4.16Å; L78-A340 HydrophobicContact CD2-CB 4.41Å; A81-A340 HydrophobicContact CB-CB 4.24Å; G336-A340 WeakPolarHBondContact O-CB 3.22Å; G336-A340 PolarHBondContact O-N 2.98Å; F337-A340 PolarHBondContact O-N 3.35Å; A340-C344 WeakPolarHBondContact O-CA 3.05Å; A340-C344 WeakPolarHBondContact O-CB 3.4Å; A340-C344 PolarHBondContact O-N 3.46Å; A340-F345 HydrophobicContact CB-CE2 4.31Å; A340-F345 PolarHBondContact O-N 3Å; A340-F345 VanDerWaalsContact O-N 3.14Å |
| 341 | V | 86.9 | Confident | 83.7 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 26% | 0.261 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -63.4 | -46.1 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | F337 M338 I339 F345 T346 | F337-V341 HydrophobicContact CD2-CG2 4.17Å; F337-V341 HydrophobicContact CE1-CG2 4.21Å; F337-V341 HydrophobicContact CE2-CG2 3.74Å; F337-V341 HydrophobicContact CZ-CG2 3.76Å; F337-V341 WeakPolarHBondContact O-CG2 3.5Å; F337-V341 PolarHBondContact O-N 3.16Å; M338-V341 PolarHBondContact O-N 3.07Å; I339-V341 PolarHBondContact O-N 3Å; V341-F345 HydrophobicContact CB-CD2 4.47Å; V341-F345 HydrophobicContact CG2-CD2 3.95Å; V341-F345 PolarHBondContact O-N 3.19Å; V341-T346 VanDerWaalsContact O-CB 3.24Å; V341-T346 WeakPolarHBondContact O-CB 3.29Å; V341-T346 PolarHBondContact O-N 3.5Å; V341-T346 PolarHBondContact O-OG1 3.01Å |
| 342 | L | 84 | Confident | 83 | Confident | 69 Ų | 69 | 41.6 Ų | 41.6 | 36% | 0.361 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -69.3 | -46.5 | -176.6 | -72.5 | 172.1 | 0 | 0 | 0 | 112.7 | L299 M338 I339 | L299-L342 HydrophobicContact CD2-CD1 3.59Å; M338-L342 WeakPolarHBondContact O-CB 3.43Å; M338-L342 VanDerWaalsContact O-CG 3.26Å; M338-L342 WeakPolarHBondContact O-CG 3.37Å; M338-L342 PolarHBondContact O-N 3.02Å; I339-L342 PolarHBondContact O-N 3.23Å |
| 343 | Y | 84.1 | Confident | 82.5 | Confident | 32 Ų | 32 | 41.1 Ų | 41.1 | 13% | 0.125 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -91.3 | -27.8 | -173.2 | -66.7 | -30.8 | 0 | 0 | 0 | 114.4 | H99 L102 F103 E166 L296 I339 N347 | H99-Y343 AromaticContact CE1-CD1 3.95Å; H99-Y343 AromaticContact CE1-CE1 3.99Å; H99-Y343 AromaticContact CE1-CG 3.97Å; H99-Y343 AromaticContact ND1-CD2 3.61Å; H99-Y343 AromaticContact ND1-CE2 3.79Å; H99-Y343 AromaticContact ND1-CG 3.89Å; L102-Y343 HydrophobicContact CD2-CE2 4.24Å; F103-Y343 HydrophobicContact CE1-CD2 4.16Å; F103-Y343 HydrophobicContact CZ-CD2 4.46Å; E166-Y343 WeakPolarHBondContact OE1-CE2 3.31Å; E166-Y343 VanDerWaalsContact OE1-CZ 3.28Å; E166-Y343 PolarHBondContact OE1-OH 3.1Å; E166-Y343 WeakPolarHBondContact OE2-CE2 3.48Å; E166-Y343 PolarHBondContact OE2-OH 3.37Å; L296-Y343 HydrophobicContact CD1-CE1 3.78Å; L296-Y343 VanDerWaalsContact CD1-OH 3.25Å; L296-Y343 WeakPolarHBondContact CD1-OH 3.4Å; L296-Y343 WeakPolarHBondContact CD2-OH 3.49Å; I339-Y343 HydrophobicContact CG2-CD2 3.42Å; I339-Y343 VanDerWaalsContact CG2-CD2 3.42Å; I339-Y343 HydrophobicContact CG2-CE2 3.64Å; I339-Y343 HydrophobicContact CG2-CG 4.48Å; I339-Y343 WeakPolarHBondContact O-CB 3.29Å; I339-Y343 PolarHBondContact O-N 2.98Å; Y343-N347 WeakPolarHBondContact O-CB 3.29Å |
| 344 | C | 87 | Confident | 81.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -106.7 | -65.8 | -178.9 | -167 | 0 | 0 | 0 | 0 | 111.8 | A81 F85 F103 A340 T346 N347 | A81-C344 HydrophobicContact CB-CB 3.75Å; F85-C344 HydrophobicContact CE2-CB 4.41Å; F85-C344 HydrophobicContact CZ-CB 4.06Å; F103-C344 HydrophobicContact CE2-CB 4.43Å; F103-C344 HydrophobicContact CZ-CB 4.46Å; A340-C344 WeakPolarHBondContact O-CA 3.05Å; A340-C344 WeakPolarHBondContact O-CB 3.4Å; A340-C344 PolarHBondContact O-N 3.46Å; C344-T346 PolarHBondContact O-N 2.98Å; C344-N347 VanDerWaalsContact O-CB 3.29Å; C344-N347 WeakPolarHBondContact O-CB 3.4Å; C344-N347 PolarHBondContact O-N 3.46Å; C344-N347 VanDerWaalsContact O-N 3.15Å |
| 345 | F | 84.9 | Confident | 81.2 | Confident | 76 Ų | 76 | 44.5 Ų | 44.5 | 33% | 0.333 | 23% | 0.228 | S | C | . | . | I | π-helix | trans | -70.3 | -31.3 | -168.4 | -57.4 | -46.7 | 0 | 0 | 0 | 114.1 | C77 T80 I84 A340 V341 N347 | C77-F345 HydrophobicContact CB-CE2 4.1Å; T80-F345 HydrophobicContact CG2-CE1 4.01Å; T80-F345 HydrophobicContact CG2-CZ 4.08Å; I84-F345 HydrophobicContact CD1-CD1 4.41Å; I84-F345 HydrophobicContact CD1-CE1 3.92Å; A340-F345 HydrophobicContact CB-CE2 4.31Å; A340-F345 PolarHBondContact O-N 3Å; A340-F345 VanDerWaalsContact O-N 3.14Å; V341-F345 HydrophobicContact CB-CD2 4.47Å; V341-F345 HydrophobicContact CG2-CD2 3.95Å; V341-F345 PolarHBondContact O-N 3.19Å; F345-N347 VanDerWaalsContact C-N 3.34Å |
| 346 | T | 79.7 | Confident | 80.4 | Confident | 92 Ų | 92 | 45 Ų | 45 | 56% | 0.564 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5 | 177.1 | -48.9 | 0 | 0 | 0 | 0 | 112.4 | V341 C344 K348 | V341-T346 VanDerWaalsContact O-CB 3.24Å; V341-T346 WeakPolarHBondContact O-CB 3.29Å; V341-T346 PolarHBondContact O-N 3.5Å; V341-T346 PolarHBondContact O-OG1 3.01Å; C344-T346 PolarHBondContact O-N 2.98Å; T346-K348 PolarHBondContact O-N 3.3Å |
| 347 | N | 79.5 | Confident | 79.4 | Confident | 28 Ų | 28 | 46.9 Ų | 46.9 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | trans | -71.4 | 116.1 | -179.7 | -175.9 | -20.4 | 0 | 0 | 0 | 109.8 | Y343 C344 F345 E349 V350 P351 | Y343-N347 WeakPolarHBondContact O-CB 3.29Å; C344-N347 VanDerWaalsContact O-CB 3.29Å; C344-N347 WeakPolarHBondContact O-CB 3.4Å; C344-N347 PolarHBondContact O-N 3.46Å; C344-N347 VanDerWaalsContact O-N 3.15Å; F345-N347 VanDerWaalsContact C-N 3.34Å; N347-E349 PolarHBondContact O-N 2.88Å; N347-E349 PolarHBondContact OD1-N 2.87Å; N347-E349 VanDerWaalsContact OD1-N 3.11Å; N347-V350 HydrophobicContact CB-CB 4.45Å; N347-V350 HydrophobicContact CB-CG2 3.91Å; N347-V350 WeakPolarHBondContact O-CB 3.05Å; N347-V350 PolarHBondContact O-N 3.45Å; N347-P351 WeakPolarHBondContact O-CD 3.39Å | ||
| 348 | K | 73.1 | Confident | 78.5 | Confident | 172 Ų | 172 | 49 Ų | 49 | 75% | 0.748 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -29.8 | -176.1 | -62.5 | -178.2 | -179 | 178.8 | 0 | 114 | T346 V350 C352 | T346-K348 PolarHBondContact O-N 3.3Å; K348-V350 VanDerWaalsContact C-N 3.3Å; K348-V350 PolarHBondContact O-N 3.22Å; K348-C352 PolarHBondContact O-SG 2.86Å |
| 349 | E | 73.8 | Confident | 77.4 | Confident | 91 Ų | 91 | 46.8 Ų | 46.8 | 43% | 0.425 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -69.7 | -29.3 | 178.1 | -64.3 | 173.9 | -166.3 | 0 | 0 | 112.1 | L91 N347 C352 I353 | L91-E349 HydrophobicContact CD2-CB 4.27Å; N347-E349 PolarHBondContact O-N 2.88Å; N347-E349 PolarHBondContact OD1-N 2.87Å; N347-E349 VanDerWaalsContact OD1-N 3.11Å; E349-C352 WeakPolarHBondContact O-CB 3.06Å; E349-I353 WeakPolarHBondContact O-CB 3.34Å; E349-I353 WeakPolarHBondContact O-CD1 3.3Å; E349-I353 VanDerWaalsContact O-CG1 3.22Å; E349-I353 WeakPolarHBondContact O-CG1 3.37Å; E349-I353 PolarHBondContact O-N 3.13Å |
| 350 | V | 73.3 | Confident | 76.4 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.6 | -53.7 | -174.3 | 174.1 | 0 | 0 | 0 | 0 | 111.9 | I84 F85 L91 N347 K348 C352 I353 C354 | I84-V350 HydrophobicContact CG2-CG1 3.77Å; F85-V350 HydrophobicContact CE1-CG2 3.92Å; L91-V350 HydrophobicContact CD1-CG2 4.07Å; N347-V350 HydrophobicContact CB-CB 4.45Å; N347-V350 HydrophobicContact CB-CG2 3.91Å; N347-V350 WeakPolarHBondContact O-CB 3.05Å; N347-V350 PolarHBondContact O-N 3.45Å; K348-V350 VanDerWaalsContact C-N 3.3Å; K348-V350 PolarHBondContact O-N 3.22Å; V350-C352 VanDerWaalsContact C-N 3.26Å; V350-C352 PolarHBondContact O-N 3.07Å; V350-I353 PolarHBondContact O-N 3.38Å; V350-C354 WeakPolarHBondContact O-CB 3.4Å; V350-C354 PolarHBondContact O-N 2.79Å; V350-C354 PolarHBondContact O-SG 2.79Å; V350-C354 VanDerWaalsContact O-SG 3.4Å |
| 351 | P | 73.5 | Confident | 75.4 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.1 | -41.3 | 173.9 | -26.1 | 34.7 | 0 | 0 | 0 | 112.3 | N347 I353 C354 L355 | N347-P351 WeakPolarHBondContact O-CD 3.39Å; P351-I353 PolarHBondContact O-N 3.24Å; P351-C354 PolarHBondContact O-N 3.27Å; P351-L355 VanDerWaalsContact O-CB 3.23Å; P351-L355 WeakPolarHBondContact O-CB 3.19Å; P351-L355 WeakPolarHBondContact O-CD1 3.25Å; P351-L355 WeakPolarHBondContact O-CG 3.47Å; P351-L355 PolarHBondContact O-N 2.94Å |
| 352 | C | 72.3 | Confident | 74.1 | Confident | 14 Ų | 14 | 56.4 Ų | 56.4 | 10% | 0.095 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56 | -48.7 | 176.2 | -76.9 | 0 | 0 | 0 | 0 | 112.5 | K348 E349 V350 A356 C386 | K348-C352 PolarHBondContact O-SG 2.86Å; E349-C352 WeakPolarHBondContact O-CB 3.06Å; V350-C352 VanDerWaalsContact C-N 3.26Å; V350-C352 PolarHBondContact O-N 3.07Å; C352-A356 WeakPolarHBondContact O-CB 3.31Å; C352-A356 PolarHBondContact O-N 3.25Å; C352-C386 VanDerWaalsContact CA-SG 3.55Å; C352-C386 HydrophobicContact CB-CB 3.85Å; C352-C386 WeakPolarHBondContact CB-SG 3.45Å; C352-C386 WeakPolarHBondContact SG-CB 3.46Å; C352-C386 CovalentContact SG-SG 2.02Å; C352-C386 PolarHBondContact SG-SG 3.24Å |
| 353 | I | 73.6 | Confident | 72.7 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 8% | 0.077 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.3 | -42 | -178.1 | -68.4 | 166.6 | 0 | 0 | 0 | 111.1 | F88 R90 L91 E349 V350 P351 L355 A356 S357 | F88-I353 HydrophobicContact CB-CG2 4.06Å; F88-I353 HydrophobicContact CD1-CG2 3.43Å; F88-I353 VanDerWaalsContact CD1-CG2 3.43Å; F88-I353 HydrophobicContact CD2-CG2 3.92Å; F88-I353 HydrophobicContact CE1-CG2 3.81Å; F88-I353 HydrophobicContact CE2-CG2 4.25Å; F88-I353 HydrophobicContact CG-CG2 3.51Å; F88-I353 HydrophobicContact CZ-CG2 4.2Å; R90-I353 HydrophobicContact CB-CD1 4.34Å; L91-I353 HydrophobicContact CD1-CD1 4.17Å; L91-I353 HydrophobicContact CD2-CD1 3.55Å; L91-I353 HydrophobicContact CG-CD1 3.66Å; E349-I353 WeakPolarHBondContact O-CB 3.34Å; E349-I353 WeakPolarHBondContact O-CD1 3.3Å; E349-I353 VanDerWaalsContact O-CG1 3.22Å; E349-I353 WeakPolarHBondContact O-CG1 3.37Å; E349-I353 PolarHBondContact O-N 3.13Å; V350-I353 PolarHBondContact O-N 3.38Å; P351-I353 PolarHBondContact O-N 3.24Å; I353-L355 PolarHBondContact O-N 3.39Å; I353-A356 PolarHBondContact O-N 3.41Å; I353-S357 PolarHBondContact O-N 3.22Å; I353-S357 PolarHBondContact O-OG 3.02Å |
| 354 | C | 74 | Confident | 71.5 | Confident | 35 Ų | 35 | 65.5 Ų | 65.5 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.9 | -46.4 | 175.9 | -72.8 | 0 | 0 | 0 | 0 | 111.2 | V350 P351 S357 I358 | V350-C354 WeakPolarHBondContact O-CB 3.4Å; V350-C354 PolarHBondContact O-N 2.79Å; V350-C354 PolarHBondContact O-SG 2.79Å; V350-C354 VanDerWaalsContact O-SG 3.4Å; P351-C354 PolarHBondContact O-N 3.27Å; C354-S357 PolarHBondContact O-N 3.44Å; C354-I358 VanDerWaalsContact O-CG1 3.27Å; C354-I358 WeakPolarHBondContact O-CG1 3.41Å; C354-I358 PolarHBondContact O-N 2.93Å |
| 355 | L | 73.8 | Confident | 69.7 | Low | 65 Ų | 65 | 68.7 Ų | 68.7 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 175.3 | -74.8 | 167.9 | 0 | 0 | 0 | 111.8 | P351 I353 S357 I358 T359 L378 | P351-L355 VanDerWaalsContact O-CB 3.23Å; P351-L355 WeakPolarHBondContact O-CB 3.19Å; P351-L355 WeakPolarHBondContact O-CD1 3.25Å; P351-L355 WeakPolarHBondContact O-CG 3.47Å; P351-L355 PolarHBondContact O-N 2.94Å; I353-L355 PolarHBondContact O-N 3.39Å; L355-S357 VanDerWaalsContact C-N 3.29Å; L355-S357 PolarHBondContact O-N 3.34Å; L355-I358 PolarHBondContact O-N 2.94Å; L355-T359 WeakPolarHBondContact O-CB 3.48Å; L355-T359 PolarHBondContact O-N 3.03Å; L355-T359 PolarHBondContact O-OG1 3.38Å; L355-L378 HydrophobicContact CD2-CD2 4.42Å |
| 356 | A | 70.1 | Confident | 68.3 | Low | 22 Ų | 22 | 69.6 Ų | 69.6 | 18% | 0.182 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.2 | -38.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C352 I353 T359 K360 M382 | C352-A356 WeakPolarHBondContact O-CB 3.31Å; C352-A356 PolarHBondContact O-N 3.25Å; I353-A356 PolarHBondContact O-N 3.41Å; A356-T359 PolarHBondContact O-N 3.4Å; A356-K360 WeakPolarHBondContact O-CG 3.39Å; A356-K360 PolarHBondContact O-N 3.05Å; A356-M382 HydrophobicContact CB-CE 4.42Å; A356-M382 HydrophobicContact CB-SD 3.95Å |
| 357 | S | 69.1 | Low | 67.2 | Low | 43 Ų | 43 | 71.2 Ų | 71.2 | 30% | 0.301 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.6 | -40.7 | 176.5 | -77.5 | 0 | 0 | 0 | 0 | 113.1 | F88 I353 C354 L355 T359 K360 V361 | F88-S357 VanDerWaalsContact CE1-OG 3.25Å; F88-S357 WeakPolarHBondContact CE1-OG 3.44Å; I353-S357 PolarHBondContact O-N 3.22Å; I353-S357 PolarHBondContact O-OG 3.02Å; C354-S357 PolarHBondContact O-N 3.44Å; L355-S357 VanDerWaalsContact C-N 3.29Å; L355-S357 PolarHBondContact O-N 3.34Å; S357-T359 VanDerWaalsContact C-N 3.28Å; S357-T359 PolarHBondContact O-N 3.1Å; S357-K360 PolarHBondContact O-N 3.39Å; S357-V361 WeakPolarHBondContact O-CG2 3.36Å; S357-V361 PolarHBondContact O-N 3.07Å |
| 358 | I | 71.8 | Confident | 65.9 | Low | 97 Ų | 97 | 73.8 Ų | 73.8 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 172.1 | -67.9 | 163.8 | 0 | 0 | 0 | 109.5 | C354 L355 K360 V361 T362 | C354-I358 VanDerWaalsContact O-CG1 3.27Å; C354-I358 WeakPolarHBondContact O-CG1 3.41Å; C354-I358 PolarHBondContact O-N 2.93Å; L355-I358 PolarHBondContact O-N 2.94Å; I358-K360 VanDerWaalsContact C-N 3.34Å; I358-K360 PolarHBondContact O-N 3.36Å; I358-V361 PolarHBondContact O-N 3.12Å; I358-V361 VanDerWaalsContact O-N 3.16Å; I358-T362 HydrophobicContact CG2-CG2 4.27Å; I358-T362 WeakPolarHBondContact O-CG2 3.13Å; I358-T362 PolarHBondContact O-N 2.91Å; I358-T362 PolarHBondContact O-OG1 2.61Å; I358-T362 VanDerWaalsContact O-OG1 3.08Å |
| 359 | T | 64.1 | Low | 64.8 | Low | 21 Ų | 21 | 69 Ų | 69 | 13% | 0.129 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 178.3 | -51.2 | 0 | 0 | 0 | 0 | 111.6 | L355 A356 S357 T362 L363 L378 | L355-T359 WeakPolarHBondContact O-CB 3.48Å; L355-T359 PolarHBondContact O-N 3.03Å; L355-T359 PolarHBondContact O-OG1 3.38Å; A356-T359 PolarHBondContact O-N 3.4Å; S357-T359 VanDerWaalsContact C-N 3.28Å; S357-T359 PolarHBondContact O-N 3.1Å; T359-T362 VanDerWaalsContact C-OG1 3.31Å; T359-T362 VanDerWaalsContact CA-OG1 3.24Å; T359-T362 WeakPolarHBondContact CA-OG1 3.41Å; T359-T362 PolarHBondContact O-N 2.95Å; T359-T362 PolarHBondContact O-OG1 3.4Å; T359-L363 HydrophobicContact CG2-CD1 3.98Å; T359-L363 WeakPolarHBondContact O-CB 3.3Å; T359-L363 VanDerWaalsContact O-CG 3.27Å; T359-L363 WeakPolarHBondContact O-CG 3.35Å; T359-L363 PolarHBondContact O-N 3.46Å; T359-L378 WeakPolarHBondContact OG1-CD2 3.4Å |
| 360 | K | 67.4 | Low | 63.7 | Low | 128 Ų | 128 | 71.9 Ų | 71.9 | 56% | 0.557 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -61.8 | -46 | 174.3 | -76 | -179.7 | -179.9 | -171.3 | 0 | 111.9 | A356 S357 I358 T362 L363 F364 | A356-K360 WeakPolarHBondContact O-CG 3.39Å; A356-K360 PolarHBondContact O-N 3.05Å; S357-K360 PolarHBondContact O-N 3.39Å; I358-K360 VanDerWaalsContact C-N 3.34Å; I358-K360 PolarHBondContact O-N 3.36Å; K360-T362 VanDerWaalsContact C-N 3.33Å; K360-T362 PolarHBondContact O-N 3.44Å; K360-L363 PolarHBondContact O-N 2.96Å; K360-F364 WeakPolarHBondContact O-CB 3.2Å; K360-F364 WeakPolarHBondContact O-CD2 3.36Å; K360-F364 PolarHBondContact O-N 3.46Å |
| 361 | V | 67.1 | Low | 62.8 | Low | 91 Ų | 91 | 78.2 Ų | 78.2 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 178.3 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | S357 I358 L363 F364 N365 | S357-V361 WeakPolarHBondContact O-CG2 3.36Å; S357-V361 PolarHBondContact O-N 3.07Å; I358-V361 PolarHBondContact O-N 3.12Å; I358-V361 VanDerWaalsContact O-N 3.16Å; V361-L363 VanDerWaalsContact C-N 3.34Å; V361-F364 PolarHBondContact O-N 2.88Å; V361-N365 WeakPolarHBondContact O-CB 3.11Å; V361-N365 PolarHBondContact O-N 3.11Å |
| 362 | T | 59.1 | Low | 61.4 | Low | 27 Ų | 27 | 78.7 Ų | 78.7 | 17% | 0.166 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -68.3 | -31.5 | 176.5 | 52.8 | 0 | 0 | 0 | 0 | 113 | I358 T359 K360 L368 | I358-T362 HydrophobicContact CG2-CG2 4.27Å; I358-T362 WeakPolarHBondContact O-CG2 3.13Å; I358-T362 PolarHBondContact O-N 2.91Å; I358-T362 PolarHBondContact O-OG1 2.61Å; I358-T362 VanDerWaalsContact O-OG1 3.08Å; T359-T362 VanDerWaalsContact C-OG1 3.31Å; T359-T362 VanDerWaalsContact CA-OG1 3.24Å; T359-T362 WeakPolarHBondContact CA-OG1 3.41Å; T359-T362 PolarHBondContact O-N 2.95Å; T359-T362 PolarHBondContact O-OG1 3.4Å; K360-T362 VanDerWaalsContact C-N 3.33Å; K360-T362 PolarHBondContact O-N 3.44Å; T362-L368 HydrophobicContact CG2-CD2 3.93Å |
| 363 | L | 54.6 | Low | 60.3 | Low | 112 Ų | 112 | 85 Ų | 85 | 59% | 0.586 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -75.7 | -33.3 | 176.2 | -77.4 | 166.9 | 0 | 0 | 0 | 112.5 | T359 K360 V361 | T359-L363 HydrophobicContact CG2-CD1 3.98Å; T359-L363 WeakPolarHBondContact O-CB 3.3Å; T359-L363 VanDerWaalsContact O-CG 3.27Å; T359-L363 WeakPolarHBondContact O-CG 3.35Å; T359-L363 PolarHBondContact O-N 3.46Å; K360-L363 PolarHBondContact O-N 2.96Å; V361-L363 VanDerWaalsContact C-N 3.34Å |
| 364 | F | 59.6 | Low | 59.2 | Low | 180 Ų | 180 | 93 Ų | 93 | 79% | 0.789 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -87.5 | -8.4 | 179.1 | -86.7 | -90.2 | 0 | 0 | 0 | 113.9 | K360 V361 P366 | K360-F364 WeakPolarHBondContact O-CB 3.2Å; K360-F364 WeakPolarHBondContact O-CD2 3.36Å; K360-F364 PolarHBondContact O-N 3.46Å; V361-F364 PolarHBondContact O-N 2.88Å; F364-P366 VanDerWaalsContact O-CD 3.29Å; F364-P366 WeakPolarHBondContact O-CD 3.23Å |
| 365 | N | 49.1 | Very low | 58 | Low | 67 Ų | 67 | 93.3 Ų | 93.3 | 36% | 0.358 | 50% | 0.498 | S | S | . | . | trans | -94.8 | 103.4 | 170.6 | -114 | -69.3 | 0 | 0 | 0 | 110 | V361 I367 L368 T369 | V361-N365 WeakPolarHBondContact O-CB 3.11Å; V361-N365 PolarHBondContact O-N 3.11Å; N365-I367 PolarHBondContact O-N 2.78Å; N365-L368 HydrophobicContact CB-CB 4.17Å; N365-L368 HydrophobicContact CB-CD1 3.93Å; N365-L368 PolarHBondContact O-N 2.8Å; N365-T369 PolarHBondContact O-N 2.67Å; N365-T369 PolarHBondContact O-OG1 2.78Å | ||
| 366 | P | 56 | Low | 56.7 | Low | 95 Ų | 95 | 98.3 Ų | 98.3 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -20 | -178.3 | 22.9 | -32.1 | 0 | 0 | 0 | 113.5 | F364 T369 | F364-P366 VanDerWaalsContact O-CD 3.29Å; F364-P366 WeakPolarHBondContact O-CD 3.23Å; P366-T369 WeakPolarHBondContact CA-OG1 3.41Å; P366-T369 PolarHBondContact O-OG1 2.79Å |
| 367 | I | 56.1 | Low | 55.8 | Low | 127 Ų | 127 | 102.7 Ų | 102.7 | 65% | 0.651 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -31.1 | 178.2 | -58.7 | 167.7 | 0 | 0 | 0 | 111.6 | N365 | N365-I367 PolarHBondContact O-N 2.78Š|
| 368 | L | 52 | Low | 54.8 | Low | 81 Ų | 81 | 102.9 Ų | 102.9 | 42% | 0.424 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -22.6 | 179.2 | -90.7 | 99.3 | 0 | 0 | 0 | 113.4 | T362 N365 I370 I371 | T362-L368 HydrophobicContact CG2-CD2 3.93Å; N365-L368 HydrophobicContact CB-CB 4.17Å; N365-L368 HydrophobicContact CB-CD1 3.93Å; N365-L368 PolarHBondContact O-N 2.8Å; L368-I370 VanDerWaalsContact C-N 3.25Å; L368-I370 PolarHBondContact O-N 2.87Å; L368-I371 PolarHBondContact O-N 3.07Å |
| 369 | T | 49.8 | Very low | 53.7 | Low | 73 Ų | 73 | 102.7 Ų | 102.7 | 45% | 0.448 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -25.2 | 178.5 | 2 | 0 | 0 | 0 | 0 | 113.1 | N365 P366 | N365-T369 PolarHBondContact O-N 2.67Å; N365-T369 PolarHBondContact O-OG1 2.78Å; P366-T369 WeakPolarHBondContact CA-OG1 3.41Å; P366-T369 PolarHBondContact O-OG1 2.79Å |
| 370 | I | 52.2 | Low | 52.8 | Low | 150 Ų | 150 | 106.9 Ų | 106.9 | 77% | 0.769 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -23.2 | 178.7 | -62.9 | 174.4 | 0 | 0 | 0 | 112 | L368 | L368-I370 VanDerWaalsContact C-N 3.25Å; L368-I370 PolarHBondContact O-N 2.87Å |
| 371 | I | 52.6 | Low | 52 | Low | 140 Ų | 140 | 104.5 Ų | 104.5 | 72% | 0.718 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -15 | -173.9 | -58.3 | 176.5 | 0 | 0 | 0 | 112.1 | L368 | L368-I371 PolarHBondContact O-N 3.07Š|
| 372 | N | 44.2 | Very low | 51.1 | Low | 69 Ų | 69 | 102.6 Ų | 102.6 | 37% | 0.369 | 53% | 0.53 | S | S | . | . | trans | -114.4 | 81.3 | -161.9 | -148.8 | 4.1 | 0 | 0 | 0 | 115.1 | R374 | N372-R374 PolarHBondContact O-N 2.87Å; N372-R374 VanDerWaalsContact O-N 3.09Å; N372-R374 WeakPolarHBondContact OD1-CB 3.35Å; N372-R374 WeakPolarHBondContact OD1-CG 3.2Å; N372-R374 PolarHBondContact OD1-N 3.39Å | ||
| 373 | V | 50.7 | Low | 50.5 | Low | 147 Ų | 147 | 108.4 Ų | 108.4 | 89% | 0.891 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -5.6 | 164 | -180 | 0 | 0 | 0 | 0 | 112.2 | G375 | V373-G375 VanDerWaalsContact C-N 3.31Å; V373-G375 PolarHBondContact O-N 3.01Å |
| 374 | R | 49.2 | Very low | 50.2 | Low | 183 Ų | 183 | 107.6 Ų | 107.6 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 0.8 | 178 | -59.9 | 175.3 | 137.1 | 172 | -4.5 | 115.6 | N372 F376 I377 L378 | N372-R374 PolarHBondContact O-N 2.87Å; N372-R374 VanDerWaalsContact O-N 3.09Å; N372-R374 WeakPolarHBondContact OD1-CB 3.35Å; N372-R374 WeakPolarHBondContact OD1-CG 3.2Å; N372-R374 PolarHBondContact OD1-N 3.39Å; R374-F376 PolarHBondContact O-N 2.69Å; R374-I377 PolarHBondContact O-N 3.41Å; R374-L378 PolarHBondContact O-N 3.36Å |
| 375 | G | 49.4 | Very low | 49.6 | Very low | 41 Ų | 41 | 106 Ų | 106 | 42% | 0.423 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.4 | -31.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | V373 | V373-G375 VanDerWaalsContact C-N 3.31Å; V373-G375 PolarHBondContact O-N 3.01Å |
| 376 | F | 46.4 | Very low | 49.3 | Very low | 170 Ų | 170 | 103.6 Ų | 103.6 | 75% | 0.746 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -77.6 | -39.1 | -177.7 | -154 | -96.5 | 0 | 0 | 0 | 112.9 | R374 N379 E380 | R374-F376 PolarHBondContact O-N 2.69Å; F376-N379 PolarHBondContact O-N 2.71Å; F376-E380 PolarHBondContact O-N 3.36Å |
| 377 | I | 50.7 | Low | 48.3 | Very low | 115 Ų | 115 | 108.3 Ų | 108.3 | 59% | 0.59 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.5 | -33.4 | 178.8 | -62.2 | -169.2 | 0 | 0 | 0 | 111.2 | R374 E380 I381 | R374-I377 PolarHBondContact O-N 3.41Å; I377-E380 PolarHBondContact O-N 3.34Å; I377-I381 HydrophobicContact CG2-CD1 3.92Å; I377-I381 WeakPolarHBondContact O-CG1 3.19Å; I377-I381 PolarHBondContact O-N 3.12Å; I377-I381 VanDerWaalsContact O-N 3.14Å |
| 378 | L | 49.3 | Very low | 47.3 | Very low | 46 Ų | 46 | 107 Ų | 107 | 24% | 0.241 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -68 | -35.5 | 178.1 | -118.2 | 89.5 | 0 | 0 | 0 | 113 | L355 T359 R374 I381 M382 | L355-L378 HydrophobicContact CD2-CD2 4.42Å; T359-L378 WeakPolarHBondContact OG1-CD2 3.4Å; R374-L378 PolarHBondContact O-N 3.36Å; L378-I381 PolarHBondContact O-N 2.93Å; L378-M382 PolarHBondContact O-N 3.36Å |
| 379 | N | 47.2 | Very low | 46.3 | Very low | 94 Ų | 94 | 108.6 Ų | 108.6 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.7 | -40.7 | 176.4 | -98.3 | -19.6 | 0 | 0 | 0 | 112 | F376 M382 M383 | F376-N379 PolarHBondContact O-N 2.71Å; N379-M382 PolarHBondContact O-N 2.75Å; N379-M383 WeakPolarHBondContact O-CG 3.35Å; N379-M383 PolarHBondContact O-N 2.98Å |
| 380 | E | 47.2 | Very low | 45.3 | Very low | 109 Ų | 109 | 113.1 Ų | 113.1 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60 | -44.7 | 173.3 | -89.8 | -71 | 149.4 | 0 | 0 | 111.7 | F376 I377 M383 T384 | F376-E380 PolarHBondContact O-N 3.36Å; I377-E380 PolarHBondContact O-N 3.34Å; E380-M383 PolarHBondContact O-N 3.12Å; E380-T384 PolarHBondContact O-N 2.95Å; E380-T384 PolarHBondContact O-OG1 3.26Å |
| 381 | I | 49.3 | Very low | 44.2 | Very low | 77 Ų | 77 | 111 Ų | 111 | 40% | 0.395 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.6 | -40.1 | 177.2 | -65.6 | 166.5 | 0 | 0 | 0 | 111.5 | I377 L378 M383 H385 | I377-I381 HydrophobicContact CG2-CD1 3.92Å; I377-I381 WeakPolarHBondContact O-CG1 3.19Å; I377-I381 PolarHBondContact O-N 3.12Å; I377-I381 VanDerWaalsContact O-N 3.14Å; L378-I381 PolarHBondContact O-N 2.93Å; I381-M383 VanDerWaalsContact C-N 3.35Å; I381-H385 WeakPolarHBondContact O-CB 3.32Å; I381-H385 PolarHBondContact O-N 2.89Å; I381-H385 VanDerWaalsContact O-N 3.09Å |
| 382 | M | 49.4 | Very low | 43.1 | Very low | 52 Ų | 52 | 115.5 Ų | 115.5 | 26% | 0.256 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.9 | -42 | 174.8 | -103.8 | -175.9 | 57.9 | 0 | 0 | 111.6 | A356 L378 N379 C386 | A356-M382 HydrophobicContact CB-CE 4.42Å; A356-M382 HydrophobicContact CB-SD 3.95Å; L378-M382 PolarHBondContact O-N 3.36Å; N379-M382 PolarHBondContact O-N 2.75Å; M382-C386 WeakPolarHBondContact O-CA 3.44Å; M382-C386 VanDerWaalsContact O-CB 3.22Å; M382-C386 WeakPolarHBondContact O-CB 3.48Å; M382-C386 PolarHBondContact O-N 2.88Å |
| 383 | M | 46.4 | Very low | 42.5 | Very low | 149 Ų | 149 | 118.7 Ų | 118.7 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.2 | -32.6 | -179.4 | -71.3 | -131.8 | -78.6 | 0 | 0 | 113.6 | N379 E380 I381 | N379-M383 WeakPolarHBondContact O-CG 3.35Å; N379-M383 PolarHBondContact O-N 2.98Å; E380-M383 PolarHBondContact O-N 3.12Å; I381-M383 VanDerWaalsContact C-N 3.35Å |
| 384 | T | 47.1 | Very low | 41.7 | Very low | 95 Ų | 95 | 116 Ų | 116 | 58% | 0.583 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -81.4 | -29.5 | 179.1 | 30.7 | 0 | 0 | 0 | 0 | 114.1 | E380 | E380-T384 PolarHBondContact O-N 2.95Å; E380-T384 PolarHBondContact O-OG1 3.26Å |
| 385 | H | 46.7 | Very low | 40.9 | Very low | 146 Ų | 146 | 113.6 Ų | 113.6 | 68% | 0.676 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -111 | -20.5 | -174.1 | -75.2 | -77.7 | 0 | 0 | 0 | 115.3 | I381 | I381-H385 WeakPolarHBondContact O-CB 3.32Å; I381-H385 PolarHBondContact O-N 2.89Å; I381-H385 VanDerWaalsContact O-N 3.09Å |
| 386 | C | 43 | Very low | 40.2 | Very low | 17 Ų | 17 | 117 Ų | 117 | 12% | 0.115 | 62% | 0.621 | C | S | . | * | trans | -115.4 | 85.6 | -179.8 | -43.3 | 0 | 0 | 0 | 0 | 108.8 | C352 M382 F388 | C352-C386 VanDerWaalsContact CA-SG 3.55Å; C352-C386 HydrophobicContact CB-CB 3.85Å; C352-C386 WeakPolarHBondContact CB-SG 3.45Å; C352-C386 WeakPolarHBondContact SG-CB 3.46Å; C352-C386 CovalentContact SG-SG 2.02Å; C352-C386 PolarHBondContact SG-SG 3.24Å; M382-C386 WeakPolarHBondContact O-CA 3.44Å; M382-C386 VanDerWaalsContact O-CB 3.22Å; M382-C386 WeakPolarHBondContact O-CB 3.48Å; M382-C386 PolarHBondContact O-N 2.88Å; C386-F388 HydrophobicContact CB-CD2 4Å; C386-F388 HydrophobicContact CB-CE2 4.16Å; C386-F388 PolarHBondContact O-N 3.35Å | ||
| 387 | Q | 35.5 | Very low | 39.7 | Very low | 193 Ų | 193 | 120.2 Ų | 120.2 | 90% | 0.902 | 65% | 0.646 | S | S | * | * | trans | -63.1 | 84.2 | 168.7 | -82.1 | 177.7 | -66.7 | 0 | 0 | 109.4 | ||||
| 388 | F | 35.1 | Very low | 39.1 | Very low | 99 Ų | 99 | 120.5 Ų | 120.5 | 43% | 0.434 | 65% | 0.649 | S | S | . | * | trans | -84.3 | 121.2 | 163.5 | -87.9 | -80.4 | 0 | 0 | 0 | 107.7 | C386 L390 | C386-F388 HydrophobicContact CB-CD2 4Å; C386-F388 HydrophobicContact CB-CE2 4.16Å; C386-F388 PolarHBondContact O-N 3.35Å; F388-L390 PolarHBondContact O-N 3.27Å | ||
| 389 | P | 30.2 | Very low | 38.6 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 75% | 0.747 | 67% | 0.67 | S | S | * | * | trans | -65 | 111.9 | 161.3 | 26.8 | -28 | 0 | 0 | 0 | 106.8 | S391 | P389-S391 PolarHBondContact O-N 3.17Š| ||
| 390 | L | 28.8 | Very low | 38.1 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 88% | 0.88 | 68% | 0.68 | S | S | * | * | trans | -60.6 | 89.6 | 161.2 | -86 | 155.4 | 0 | 0 | 0 | 107 | F388 R392 | F388-L390 PolarHBondContact O-N 3.27Å; L390-R392 PolarHBondContact O-N 2.9Å | ||
| 391 | S | 30.5 | Very low | 37.6 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | trans | -66.4 | 105.8 | 164.7 | 62.6 | 0 | 0 | 0 | 0 | 107.2 | P389 T393 | P389-S391 PolarHBondContact O-N 3.17Å; S391-T393 PolarHBondContact O-N 3.15Å | ||
| 392 | R | 28.4 | Very low | 36.8 | Very low | 236 Ų | 236 | 130.2 Ų | 130.2 | 89% | 0.891 | 71% | 0.708 | S | S | * | * | trans | -44.1 | 118.9 | 169.1 | -69.3 | 172.2 | 177.6 | 176.2 | -2.8 | 110.8 | L390 | L390-R392 PolarHBondContact O-N 2.9Š| ||
| 393 | T | 31.3 | Very low | 36 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | trans | -130.9 | 71.1 | 145 | 53.5 | 0 | 0 | 0 | 0 | 106.7 | S391 | S391-T393 PolarHBondContact O-N 3.15Š| ||
| 394 | A | 34.4 | Very low | 35.3 | Very low | 91 Ų | 91 | 134.4 Ų | 134.4 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -97.5 | 97.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 395 | V | 32.7 | Very low | 34.4 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | trans | -92.6 | 110.2 | 155.4 | 178.9 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 396 | P | 35.4 | Very low | 33.3 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -84 | 128.8 | 164.2 | 31.2 | -23.7 | 0 | 0 | 0 | 108.2 | ||||
| 397 | N | 34.8 | Very low | 32.5 | Very low | 237 Ų | 237 | 147.6 Ų | 147.6 | 100% | 1.267 | 82% | 0.815 | S | S | * | * | trans | 34 | 0 | 167.2 | -76.3 | -8.6 | 0 | 0 | 0 | 119.6 |
Retrieved 397 of 397 residues in 297.8 ms
(Link to these results)