| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.4 | Very low | 37.5 | Very low | 255 Ų | 255 | 140.9 Ų | 140.9 | 100% | 1.256 | 80% | 0.804 | S | S | * | * | 0 | 51.5 | 0 | -79.8 | 179.1 | -114.7 | 0 | 0 | 110 | |||||
| 2 | A | 33.7 | Very low | 37.5 | Very low | 85 Ų | 85 | 140.8 Ų | 140.8 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | trans | -109.1 | 107 | 165.7 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 3 | D | 34.1 | Very low | 38.3 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | trans | 163.6 | 55.9 | 164.4 | -83.7 | -20.8 | 0 | 0 | 0 | 110.3 | ||||
| 4 | A | 36.2 | Very low | 40 | Very low | 91 Ų | 91 | 127.9 Ų | 127.9 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -136.5 | 21.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 5 | Q | 38.7 | Very low | 41.6 | Very low | 189 Ų | 189 | 127.6 Ų | 127.6 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -99.6 | 24.6 | -170.7 | -135.4 | 171.9 | -11.4 | 0 | 0 | 113.1 | ||||
| 6 | N | 31.6 | Very low | 43.1 | Very low | 153 Ų | 153 | 121.5 Ų | 121.5 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -138.4 | 37.9 | 179.5 | -108.7 | -5.4 | 0 | 0 | 0 | 112.8 | S8 | N6-S8 PolarHBondContact O-N 2.91Å; N6-S8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | I | 40.8 | Very low | 44.6 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 67% | 0.672 | 72% | 0.719 | S | S | * | * | trans | -76.4 | 102.6 | 161.5 | -59.8 | 177.1 | 0 | 0 | 0 | 106.4 | L9 | I7-L9 HydrophobicContact CG2-CD1 4.31Å; I7-L9 HydrophobicContact CG2-CG 4.42Å; I7-L9 PolarHBondContact O-N 3.24Å | ||
| 8 | S | 34.1 | Very low | 46.5 | Very low | 115 Ų | 115 | 116.5 Ų | 116.5 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | trans | -57.3 | 72.2 | -179.9 | -33.2 | 0 | 0 | 0 | 0 | 112.2 | N6 | N6-S8 PolarHBondContact O-N 2.91Å; N6-S8 VanDerWaalsContact O-N 3.14Å | ||
| 9 | L | 45.8 | Very low | 48.4 | Very low | 117 Ų | 117 | 112.6 Ų | 112.6 | 61% | 0.613 | 69% | 0.69 | S | S | * | * | trans | -97.2 | -14.9 | 166.1 | -81.3 | 162 | 0 | 0 | 0 | 111.6 | I7 S11 | I7-L9 HydrophobicContact CG2-CD1 4.31Å; I7-L9 HydrophobicContact CG2-CG 4.42Å; I7-L9 PolarHBondContact O-N 3.24Å; L9-S11 VanDerWaalsContact C-N 3.28Å; L9-S11 PolarHBondContact O-N 3.42Å | ||
| 10 | D | 37.7 | Very low | 50.2 | Low | 168 Ų | 168 | 107.3 Ų | 107.3 | 90% | 0.898 | 66% | 0.658 | S | S | * | * | trans | -85.2 | 63 | 175.1 | -71.8 | -21.4 | 0 | 0 | 0 | 112.2 | ||||
| 11 | S | 38.9 | Very low | 51.9 | Low | 77 Ų | 77 | 104.6 Ų | 104.6 | 54% | 0.538 | 64% | 0.642 | S | S | . | * | trans | -118.2 | 114.4 | 155.3 | -157.4 | 0 | 0 | 0 | 0 | 108.2 | L9 G13 S14 | L9-S11 VanDerWaalsContact C-N 3.28Å; L9-S11 PolarHBondContact O-N 3.42Å; S11-G13 PolarHBondContact O-N 3.27Å; S11-S14 PolarHBondContact O-N 3.21Å | ||
| 12 | P | 37.6 | Very low | 54.3 | Low | 140 Ų | 140 | 96.2 Ų | 96.2 | 91% | 0.909 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 89.6 | 171.3 | 26.1 | -29.6 | 0 | 0 | 0 | 107.6 | ||
| 13 | G | 48.3 | Very low | 57.1 | Low | 58 Ų | 58 | 94.8 Ų | 94.8 | 60% | 0.598 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 144.4 | -3.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S11 V15 | S11-G13 PolarHBondContact O-N 3.27Å; G13-V15 PolarHBondContact O-N 3.17Å |
| 14 | S | 61.3 | Low | 59.9 | Low | 43 Ų | 43 | 86.9 Ų | 86.9 | 30% | 0.301 | 55% | 0.545 | S | S | . | . | trans | -51.3 | 127.2 | 171.2 | 167.6 | 0 | 0 | 0 | 0 | 110.7 | S11 G16 A17 | S11-S14 PolarHBondContact O-N 3.21Å; S14-G16 PolarHBondContact O-N 3.43Å; S14-G16 PolarHBondContact OG-N 2.91Å; S14-A17 WeakPolarHBondContact O-CB 3.43Å; S14-A17 PolarHBondContact O-N 2.9Å | ||
| 15 | V | 64 | Low | 62.7 | Low | 123 Ų | 123 | 84.8 Ų | 84.8 | 75% | 0.745 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -49.5 | -33.2 | 177.1 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | G13 A19 | G13-V15 PolarHBondContact O-N 3.17Å; V15-A19 HydrophobicContact CG1-CB 4.49Å; V15-A19 WeakPolarHBondContact O-CB 3.32Å; V15-A19 PolarHBondContact O-N 2.84Å |
| 16 | G | 65.9 | Low | 65.4 | Low | 30 Ų | 30 | 80.2 Ų | 80.2 | 31% | 0.309 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.3 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | S14 V18 V20 | S14-G16 PolarHBondContact O-N 3.43Å; S14-G16 PolarHBondContact OG-N 2.91Å; G16-V18 VanDerWaalsContact C-N 3.27Å; G16-V18 PolarHBondContact O-N 3.24Å; G16-V20 WeakPolarHBondContact O-CB 3.33Å; G16-V20 VanDerWaalsContact O-CG2 3.24Å; G16-V20 WeakPolarHBondContact O-CG2 3.47Å; G16-V20 PolarHBondContact O-N 3.11Å |
| 17 | A | 68.8 | Low | 68.4 | Low | 63 Ų | 63 | 73.3 Ų | 73.3 | 52% | 0.521 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.1 | -29.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | S14 P21 | S14-A17 WeakPolarHBondContact O-CB 3.43Å; S14-A17 PolarHBondContact O-N 2.9Å; A17-P21 WeakPolarHBondContact O-CD 3.41Å; A17-P21 VanDerWaalsContact O-CG 3.23Å; A17-P21 WeakPolarHBondContact O-CG 3.47Å |
| 18 | V | 78.7 | Confident | 71.1 | Confident | 90 Ų | 90 | 70.2 Ų | 70.2 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -92.7 | -43.1 | 176.7 | -178 | 0 | 0 | 0 | 0 | 111.7 | G16 V20 P21 V22 | G16-V18 VanDerWaalsContact C-N 3.27Å; G16-V18 PolarHBondContact O-N 3.24Å; V18-V20 PolarHBondContact O-N 3.41Å; V18-P21 WeakPolarHBondContact O-CD 3.35Å; V18-V22 HydrophobicContact CG1-CG2 4.36Å; V18-V22 VanDerWaalsContact O-CG2 3.27Å; V18-V22 WeakPolarHBondContact O-CG2 3.26Å; V18-V22 PolarHBondContact O-N 2.79Å |
| 19 | A | 83.1 | Confident | 74 | Confident | 42 Ų | 42 | 69.8 Ų | 69.8 | 35% | 0.347 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V15 V22 V23 | V15-A19 HydrophobicContact CG1-CB 4.49Å; V15-A19 WeakPolarHBondContact O-CB 3.32Å; V15-A19 PolarHBondContact O-N 2.84Å; A19-V22 PolarHBondContact O-N 3.48Å; A19-V23 WeakPolarHBondContact O-CB 3.38Å; A19-V23 VanDerWaalsContact O-CG2 3.25Å; A19-V23 WeakPolarHBondContact O-CG2 3.5Å; A19-V23 PolarHBondContact O-N 3.35Å |
| 20 | V | 83.4 | Confident | 76.4 | Confident | 6 Ų | 6 | 68.8 Ų | 68.8 | 4% | 0.036 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59 | -61 | 179.8 | 167.1 | 0 | 0 | 0 | 0 | 111.8 | G16 V18 V22 V23 F24 Y83 T84 L274 | G16-V20 WeakPolarHBondContact O-CB 3.33Å; G16-V20 VanDerWaalsContact O-CG2 3.24Å; G16-V20 WeakPolarHBondContact O-CG2 3.47Å; G16-V20 PolarHBondContact O-N 3.11Å; V18-V20 PolarHBondContact O-N 3.41Å; V20-V22 PolarHBondContact O-N 3.16Å; V20-V23 PolarHBondContact O-N 3.4Å; V20-V23 VanDerWaalsContact O-N 3.15Å; V20-F24 HydrophobicContact CG1-CD2 3.75Å; V20-F24 HydrophobicContact CG1-CE2 3.86Å; V20-F24 VanDerWaalsContact O-CD2 3.31Å; V20-F24 WeakPolarHBondContact O-CD2 3.44Å; V20-F24 PolarHBondContact O-N 3.23Å; V20-Y83 VanDerWaalsContact CG1-CB 3.48Å; V20-Y83 HydrophobicContact CG1-CG 4.34Å; V20-T84 HydrophobicContact CG1-CG2 3.96Å; V20-L274 HydrophobicContact CG2-CD1 3.81Å; V20-L274 HydrophobicContact CG2-CD2 3.28Å; V20-L274 HydrophobicContact CG2-CG 4.06Å |
| 21 | P | 87.6 | Confident | 79.1 | Confident | 52 Ų | 52 | 60.8 Ų | 60.8 | 34% | 0.338 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -57.6 | -38.3 | -179.7 | -4 | 0.2 | 0 | 0 | 0 | 112.5 | A17 V18 F24 A25 T84 | A17-P21 WeakPolarHBondContact O-CD 3.41Å; A17-P21 VanDerWaalsContact O-CG 3.23Å; A17-P21 WeakPolarHBondContact O-CG 3.47Å; V18-P21 WeakPolarHBondContact O-CD 3.35Å; P21-F24 PolarHBondContact O-N 3.34Å; P21-A25 WeakPolarHBondContact O-CB 3.44Å; P21-A25 PolarHBondContact O-N 2.98Å; P21-T84 HydrophobicContact CB-CG2 4.28Å; P21-T84 HydrophobicContact CG-CG2 3.71Å |
| 22 | V | 91.1 | Very high | 81.8 | Confident | 78 Ų | 78 | 59.1 Ų | 59.1 | 47% | 0.473 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.2 | -47.5 | 177.7 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | V18 A19 V20 A25 L26 | V18-V22 HydrophobicContact CG1-CG2 4.36Å; V18-V22 VanDerWaalsContact O-CG2 3.27Å; V18-V22 WeakPolarHBondContact O-CG2 3.26Å; V18-V22 PolarHBondContact O-N 2.79Å; A19-V22 PolarHBondContact O-N 3.48Å; V20-V22 PolarHBondContact O-N 3.16Å; V22-A25 PolarHBondContact O-N 2.87Å; V22-L26 HydrophobicContact CG1-CD1 4.22Å; V22-L26 WeakPolarHBondContact O-CG 3.24Å; V22-L26 PolarHBondContact O-N 3.34Å |
| 23 | V | 92.3 | Very high | 84.5 | Confident | 55 Ų | 55 | 56.7 Ų | 56.7 | 33% | 0.333 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -46.1 | 179.4 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | A19 V20 A25 L26 I27 C278 | A19-V23 WeakPolarHBondContact O-CB 3.38Å; A19-V23 VanDerWaalsContact O-CG2 3.25Å; A19-V23 WeakPolarHBondContact O-CG2 3.5Å; A19-V23 PolarHBondContact O-N 3.35Å; V20-V23 PolarHBondContact O-N 3.4Å; V20-V23 VanDerWaalsContact O-N 3.15Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 PolarHBondContact O-N 3.4Å; V23-L26 PolarHBondContact O-N 3.2Å; V23-I27 HydrophobicContact CG1-CD1 3.92Å; V23-I27 WeakPolarHBondContact O-CG1 3.44Å; V23-I27 PolarHBondContact O-N 3.35Å; V23-C278 HydrophobicContact CG1-CB 3.86Å |
| 24 | F | 93 | Very high | 86.6 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.018 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.6 | -37.9 | 177.1 | -82.3 | -80.3 | 0 | 0 | 0 | 112.2 | V20 P21 I27 F28 V76 Q79 A80 Y83 Y281 | V20-F24 HydrophobicContact CG1-CD2 3.75Å; V20-F24 HydrophobicContact CG1-CE2 3.86Å; V20-F24 VanDerWaalsContact O-CD2 3.31Å; V20-F24 WeakPolarHBondContact O-CD2 3.44Å; V20-F24 PolarHBondContact O-N 3.23Å; P21-F24 PolarHBondContact O-N 3.34Å; F24-I27 PolarHBondContact O-N 2.94Å; F24-F28 WeakPolarHBondContact O-CB 3.27Å; F24-F28 PolarHBondContact O-N 2.86Å; F24-V76 HydrophobicContact CD1-CG1 4.06Å; F24-Q79 HydrophobicContact CE1-CB 4.12Å; F24-Q79 HydrophobicContact CE1-CG 3.91Å; F24-Q79 HydrophobicContact CZ-CG 4.06Å; F24-A80 HydrophobicContact CB-CB 3.87Å; F24-A80 HydrophobicContact CD1-CB 4.31Å; F24-A80 HydrophobicContact CD2-CB 4.25Å; F24-A80 HydrophobicContact CG-CB 3.9Å; F24-Y83 AromaticContact CE2-CD2 3.71Å; F24-Y83 HydrophobicContact CE2-CD2 3.71Å; F24-Y83 HydrophobicContact CE2-CE2 4.14Å; F24-Y83 AromaticContact CZ-CD2 3.74Å; F24-Y83 HydrophobicContact CZ-CD2 3.74Å; F24-Y83 AromaticContact CZ-CE2 3.77Å; F24-Y83 HydrophobicContact CZ-CE2 3.77Å; F24-Y281 HydrophobicContact CD1-CD2 4.48Å; F24-Y281 AromaticContact CE1-CD2 3.47Å; F24-Y281 HydrophobicContact CE1-CD2 3.47Å; F24-Y281 VanDerWaalsContact CE1-CD2 3.47Å; F24-Y281 AromaticContact CE1-CE2 3.67Å; F24-Y281 HydrophobicContact CE1-CE2 3.67Å; F24-Y281 AromaticContact CZ-CD2 3.91Å; F24-Y281 HydrophobicContact CZ-CD2 3.91Å; F24-Y281 AromaticContact CZ-CE2 3.87Å; F24-Y281 HydrophobicContact CZ-CE2 3.87Å |
| 25 | A | 94.4 | Very high | 88.1 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -41.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | P21 V22 V23 F28 L29 | P21-A25 WeakPolarHBondContact O-CB 3.44Å; P21-A25 PolarHBondContact O-N 2.98Å; V22-A25 PolarHBondContact O-N 2.87Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 PolarHBondContact O-N 3.4Å; A25-F28 PolarHBondContact O-N 3.3Å; A25-L29 WeakPolarHBondContact O-CB 3.24Å; A25-L29 VanDerWaalsContact O-CG 3.27Å; A25-L29 WeakPolarHBondContact O-CG 3.44Å; A25-L29 PolarHBondContact O-N 3.34Å |
| 26 | L | 95.3 | Very high | 89.5 | Confident | 93 Ų | 93 | 48.1 Ų | 48.1 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 174.8 | -71.8 | 173 | 0 | 0 | 0 | 111.7 | V22 V23 F28 L29 L30 | V22-L26 HydrophobicContact CG1-CD1 4.22Å; V22-L26 WeakPolarHBondContact O-CG 3.24Å; V22-L26 PolarHBondContact O-N 3.34Å; V23-L26 PolarHBondContact O-N 3.2Å; L26-F28 VanDerWaalsContact C-N 3.28Å; L26-F28 PolarHBondContact O-N 2.84Å; L26-L29 PolarHBondContact O-N 3.13Å; L26-L30 VanDerWaalsContact O-CB 3.26Å; L26-L30 WeakPolarHBondContact O-CB 3.34Å; L26-L30 VanDerWaalsContact O-CG 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.43Å; L26-L30 PolarHBondContact O-N 2.93Å |
| 27 | I | 95.2 | Very high | 90.6 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 174.9 | -68.7 | 168 | 0 | 0 | 0 | 110 | V23 F24 G31 V76 A282 | V23-I27 HydrophobicContact CG1-CD1 3.92Å; V23-I27 WeakPolarHBondContact O-CG1 3.44Å; V23-I27 PolarHBondContact O-N 3.35Å; F24-I27 PolarHBondContact O-N 2.94Å; I27-G31 WeakPolarHBondContact O-CA 3.04Å; I27-G31 PolarHBondContact O-N 3.29Å; I27-V76 HydrophobicContact CG2-CG2 4.26Å; I27-A282 HydrophobicContact CG1-CB 4.48Å |
| 28 | F | 96.4 | Very high | 91.5 | Very high | 66 Ų | 66 | 46.4 Ų | 46.4 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.5 | -51.8 | 178.9 | -175.7 | -92.6 | 0 | 0 | 0 | 112.1 | F24 A25 L26 T32 I72 L73 V76 P77 | F24-F28 WeakPolarHBondContact O-CB 3.27Å; F24-F28 PolarHBondContact O-N 2.86Å; A25-F28 PolarHBondContact O-N 3.3Å; L26-F28 VanDerWaalsContact C-N 3.28Å; L26-F28 PolarHBondContact O-N 2.84Å; F28-T32 VanDerWaalsContact O-CB 3.26Å; F28-T32 WeakPolarHBondContact O-CB 3.35Å; F28-T32 PolarHBondContact O-N 3.37Å; F28-T32 PolarHBondContact O-OG1 2.91Å; F28-I72 HydrophobicContact CD2-CG2 3.8Å; F28-I72 WeakPolarHBondContact CD2-O 3.37Å; F28-I72 HydrophobicContact CE2-CG2 4.31Å; F28-I72 WeakPolarHBondContact CE2-O 3.45Å; F28-I72 HydrophobicContact CG-CG2 4.34Å; F28-L73 HydrophobicContact CE2-CD2 3.97Å; F28-L73 HydrophobicContact CZ-CD2 3.95Å; F28-V76 HydrophobicContact CB-CG1 4.03Å; F28-V76 HydrophobicContact CD2-CG1 4.22Å; F28-P77 HydrophobicContact CD2-CG 4.19Å; F28-P77 HydrophobicContact CE2-CG 3.99Å |
| 29 | L | 96.3 | Very high | 92 | Very high | 105 Ų | 105 | 44.2 Ų | 44.2 | 55% | 0.55 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.9 | -52 | -177.6 | -70.5 | 172.6 | 0 | 0 | 0 | 111.8 | A25 L26 G31 V33 | A25-L29 WeakPolarHBondContact O-CB 3.24Å; A25-L29 VanDerWaalsContact O-CG 3.27Å; A25-L29 WeakPolarHBondContact O-CG 3.44Å; A25-L29 PolarHBondContact O-N 3.34Å; L26-L29 PolarHBondContact O-N 3.13Å; L29-G31 VanDerWaalsContact C-N 3.31Å; L29-G31 PolarHBondContact O-N 2.93Å; L29-V33 WeakPolarHBondContact O-CB 3.39Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.4Å; L29-V33 PolarHBondContact O-N 2.95Å |
| 30 | L | 95.2 | Very high | 92.2 | Very high | 97 Ų | 97 | 44.1 Ų | 44.1 | 51% | 0.508 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | -179.9 | -67.8 | 175.3 | 0 | 0 | 0 | 111.1 | L26 G34 C285 | L26-L30 VanDerWaalsContact O-CB 3.26Å; L26-L30 WeakPolarHBondContact O-CB 3.34Å; L26-L30 VanDerWaalsContact O-CG 3.27Å; L26-L30 WeakPolarHBondContact O-CG 3.43Å; L26-L30 PolarHBondContact O-N 2.93Å; L30-G34 WeakPolarHBondContact O-CA 3.46Å; L30-G34 PolarHBondContact O-N 3.1Å; L30-C285 HydrophobicContact CB-CB 4.17Å |
| 31 | G | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.8 | -47.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I27 L29 N35 | I27-G31 WeakPolarHBondContact O-CA 3.04Å; I27-G31 PolarHBondContact O-N 3.29Å; L29-G31 VanDerWaalsContact C-N 3.31Å; L29-G31 PolarHBondContact O-N 2.93Å; G31-N35 WeakPolarHBondContact O-CB 3.11Å; G31-N35 PolarHBondContact O-N 2.9Å; G31-N35 PolarHBondContact O-ND2 2.83Å |
| 32 | T | 95.6 | Very high | 91.9 | Very high | 42 Ų | 42 | 42.8 Ų | 42.8 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.4 | -47.1 | -179.4 | -51.7 | 0 | 0 | 0 | 0 | 110.9 | F28 G36 L69 I72 L73 | F28-T32 VanDerWaalsContact O-CB 3.26Å; F28-T32 WeakPolarHBondContact O-CB 3.35Å; F28-T32 PolarHBondContact O-N 3.37Å; F28-T32 PolarHBondContact O-OG1 2.91Å; T32-G36 WeakPolarHBondContact O-CA 3.24Å; T32-G36 PolarHBondContact O-N 3.46Å; T32-L69 HydrophobicContact CG2-CD2 4.45Å; T32-I72 WeakPolarHBondContact OG1-CG2 3.47Å; T32-L73 HydrophobicContact CG2-CD2 4.08Å |
| 33 | V | 94.1 | Very high | 91.4 | Very high | 89 Ų | 89 | 44.5 Ų | 44.5 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | 178.3 | 173.9 | 0 | 0 | 0 | 0 | 110.7 | L29 L37 | L29-V33 WeakPolarHBondContact O-CB 3.39Å; L29-V33 VanDerWaalsContact O-CG2 3.27Å; L29-V33 WeakPolarHBondContact O-CG2 3.4Å; L29-V33 PolarHBondContact O-N 2.95Å; V33-L37 HydrophobicContact CG1-CD1 3.65Å; V33-L37 HydrophobicContact CG1-CG 4.5Å; V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 WeakPolarHBondContact O-CD1 3.28Å; V33-L37 WeakPolarHBondContact O-CG 3.35Å; V33-L37 PolarHBondContact O-N 3.35Å |
| 34 | G | 92.1 | Very high | 90.6 | Very high | 14 Ų | 14 | 46 Ų | 46 | 14% | 0.144 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62 | -55.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L30 L37 V38 | L30-G34 WeakPolarHBondContact O-CA 3.46Å; L30-G34 PolarHBondContact O-N 3.1Å; G34-L37 PolarHBondContact O-N 3.36Å; G34-V38 WeakPolarHBondContact O-CG2 3.48Å; G34-V38 PolarHBondContact O-N 3.12Å |
| 35 | N | 93.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.9 | -33 | -178.4 | -69.3 | -63.4 | 0 | 0 | 0 | 112.2 | G31 L37 V38 L39 A65 L69 S284 P288 | G31-N35 WeakPolarHBondContact O-CB 3.11Å; G31-N35 PolarHBondContact O-N 2.9Å; G31-N35 PolarHBondContact O-ND2 2.83Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.21Å; N35-V38 PolarHBondContact O-N 2.99Å; N35-L39 WeakPolarHBondContact O-CB 3.22Å; N35-L39 PolarHBondContact O-N 2.93Å; N35-A65 HydrophobicContact CB-CB 4.42Å; N35-L69 HydrophobicContact CB-CD1 4.22Å; N35-L69 HydrophobicContact CB-CD2 3.89Å; N35-L69 HydrophobicContact CB-CG 3.63Å; N35-S284 PolarHBondContact ND2-O 2.75Å; N35-P288 WeakPolarHBondContact OD1-CG 3.48Å |
| 36 | G | 92.5 | Very high | 87.4 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.1 | -39 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | T32 L39 A40 | T32-G36 WeakPolarHBondContact O-CA 3.24Å; T32-G36 PolarHBondContact O-N 3.46Å; G36-L39 PolarHBondContact O-N 3.33Å; G36-A40 WeakPolarHBondContact O-CB 3.31Å; G36-A40 PolarHBondContact O-N 3.37Å |
| 37 | L | 89.3 | Confident | 85.4 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 28% | 0.277 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70 | -38.9 | 174.7 | -72.1 | 165.4 | 0 | 0 | 0 | 112.2 | V33 G34 N35 L39 A40 V41 F302 | V33-L37 HydrophobicContact CG1-CD1 3.65Å; V33-L37 HydrophobicContact CG1-CG 4.5Å; V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 WeakPolarHBondContact O-CD1 3.28Å; V33-L37 WeakPolarHBondContact O-CG 3.35Å; V33-L37 PolarHBondContact O-N 3.35Å; G34-L37 PolarHBondContact O-N 3.36Å; N35-L37 VanDerWaalsContact C-N 3.31Å; N35-L37 PolarHBondContact O-N 3.21Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L37-A40 PolarHBondContact O-N 2.92Å; L37-V41 WeakPolarHBondContact O-CB 3.33Å; L37-V41 WeakPolarHBondContact O-CG2 3.37Å; L37-V41 PolarHBondContact O-N 3.37Å; L37-F302 HydrophobicContact CB-CE2 3.58Å; L37-F302 HydrophobicContact CB-CZ 3.6Å; L37-F302 HydrophobicContact CD1-CE1 3.98Å; L37-F302 HydrophobicContact CD1-CE2 4.25Å; L37-F302 HydrophobicContact CD1-CZ 3.36Å; L37-F302 HydrophobicContact CD2-CZ 4.2Å; L37-F302 HydrophobicContact CG-CE2 4.36Å; L37-F302 HydrophobicContact CG-CZ 3.89Å |
| 38 | V | 88.6 | Confident | 83.1 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.024 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 172.4 | 171.5 | 0 | 0 | 0 | 0 | 110.4 | G34 N35 V41 L42 I61 A65 P288 Y291 F298 | G34-V38 WeakPolarHBondContact O-CG2 3.48Å; G34-V38 PolarHBondContact O-N 3.12Å; N35-V38 PolarHBondContact O-N 2.99Å; V38-V41 PolarHBondContact O-N 3.39Å; V38-L42 HydrophobicContact CG1-CD1 3.92Å; V38-L42 WeakPolarHBondContact O-CG 3.38Å; V38-L42 PolarHBondContact O-N 2.85Å; V38-I61 HydrophobicContact CG1-CG2 3.73Å; V38-A65 HydrophobicContact CB-CB 4.34Å; V38-A65 HydrophobicContact CG1-CB 3.91Å; V38-P288 HydrophobicContact CG2-CB 3.96Å; V38-P288 HydrophobicContact CG2-CG 4.17Å; V38-Y291 HydrophobicContact CG2-CD2 4.1Å; V38-F298 HydrophobicContact CG1-CE1 4.45Å |
| 39 | L | 88.9 | Confident | 80.5 | Confident | 44 Ų | 44 | 56.7 Ų | 56.7 | 23% | 0.23 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.8 | -48 | 177.7 | -173.3 | 63 | 0 | 0 | 0 | 111.5 | N35 G36 L37 V41 L42 L43 L62 V66 L69 | N35-L39 WeakPolarHBondContact O-CB 3.22Å; N35-L39 PolarHBondContact O-N 2.93Å; G36-L39 PolarHBondContact O-N 3.33Å; L37-L39 VanDerWaalsContact C-N 3.34Å; L39-V41 VanDerWaalsContact C-N 3.33Å; L39-V41 PolarHBondContact O-N 3.19Å; L39-L42 PolarHBondContact O-N 3.24Å; L39-L43 HydrophobicContact CD1-CD1 3.68Å; L39-L43 HydrophobicContact CD1-CG 4.04Å; L39-L43 HydrophobicContact CG-CD1 3.77Å; L39-L43 HydrophobicContact CG-CG 4.39Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 3.33Å; L39-L62 HydrophobicContact CD1-CD1 3.26Å; L39-V66 HydrophobicContact CD1-CG2 4.46Å; L39-L69 HydrophobicContact CD2-CD1 4.06Å |
| 40 | A | 85.6 | Confident | 78 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 33% | 0.331 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G36 L37 Q44 L305 | G36-A40 WeakPolarHBondContact O-CB 3.31Å; G36-A40 PolarHBondContact O-N 3.37Å; L37-A40 PolarHBondContact O-N 2.92Å; A40-Q44 VanDerWaalsContact O-CG 3.28Å; A40-Q44 WeakPolarHBondContact O-CG 3.49Å; A40-Q44 PolarHBondContact O-N 3.36Å; A40-L305 HydrophobicContact CB-CD1 4.35Å |
| 41 | V | 82.6 | Confident | 75.7 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.5 | 163.4 | 0 | 0 | 0 | 0 | 111.8 | L37 V38 L39 F298 R301 F302 L305 | L37-V41 WeakPolarHBondContact O-CB 3.33Å; L37-V41 WeakPolarHBondContact O-CG2 3.37Å; L37-V41 PolarHBondContact O-N 3.37Å; V38-V41 PolarHBondContact O-N 3.39Å; L39-V41 VanDerWaalsContact C-N 3.33Å; L39-V41 PolarHBondContact O-N 3.19Å; V41-F298 HydrophobicContact CG1-CD1 4.21Å; V41-F298 HydrophobicContact CG1-CE1 4.25Å; V41-R301 HydrophobicContact CG1-CB 3.51Å; V41-R301 HydrophobicContact CG1-CG 4.25Å; V41-R301 HydrophobicContact CG2-CB 4.48Å; V41-F302 HydrophobicContact CG2-CD2 4.05Å; V41-L305 HydrophobicContact CB-CD1 4.35Å; V41-L305 HydrophobicContact CG2-CD1 3.29Å; V41-L305 HydrophobicContact CG2-CG 4.31Å |
| 42 | L | 82 | Confident | 73.5 | Confident | 27 Ų | 27 | 68.2 Ų | 68.2 | 14% | 0.141 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -77.6 | -32.3 | -174.3 | -70.6 | 177.3 | 0 | 0 | 0 | 112.8 | V38 L39 D58 I61 L62 F298 | V38-L42 HydrophobicContact CG1-CD1 3.92Å; V38-L42 WeakPolarHBondContact O-CG 3.38Å; V38-L42 PolarHBondContact O-N 2.85Å; L39-L42 PolarHBondContact O-N 3.24Å; L42-D58 HydrophobicContact CD2-CB 4.07Å; L42-I61 HydrophobicContact CD1-CB 4.16Å; L42-I61 HydrophobicContact CD1-CG2 3.86Å; L42-L62 HydrophobicContact CB-CD1 4.46Å; L42-L62 HydrophobicContact CD1-CB 4.1Å; L42-F298 HydrophobicContact CD2-CE1 4.12Å; L42-F298 HydrophobicContact CD2-CZ 3.9Å; L42-F298 HydrophobicContact CG-CE1 4.32Å; L42-F298 HydrophobicContact CG-CZ 4.42Å |
| 43 | L | 82.2 | Confident | 71.1 | Confident | 114 Ų | 114 | 71.7 Ų | 71.7 | 60% | 0.597 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -83.6 | -11.9 | 179.1 | -64.5 | -179.8 | 0 | 0 | 0 | 113.8 | L39 L62 | L39-L43 HydrophobicContact CD1-CD1 3.68Å; L39-L43 HydrophobicContact CD1-CG 4.04Å; L39-L43 HydrophobicContact CG-CD1 3.77Å; L39-L43 HydrophobicContact CG-CG 4.39Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 WeakPolarHBondContact O-CG 3.46Å; L39-L43 PolarHBondContact O-N 3.33Å; L43-L62 HydrophobicContact CD2-CD1 4.26Å |
| 44 | Q | 75.5 | Confident | 69.1 | Low | 87 Ų | 87 | 68.2 Ų | 68.2 | 41% | 0.407 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -70.7 | 130.2 | 178 | -89.2 | -170.7 | -20.2 | 0 | 0 | 112.3 | A40 G46 | A40-Q44 VanDerWaalsContact O-CG 3.28Å; A40-Q44 WeakPolarHBondContact O-CG 3.49Å; A40-Q44 PolarHBondContact O-N 3.36Å; Q44-G46 PolarHBondContact O-N 3.03Å |
| 45 | P | 60.7 | Low | 67.8 | Low | 136 Ų | 136 | 70.1 Ų | 70.1 | 88% | 0.883 | 42% | 0.417 | S | S | * | . | trans | -61.5 | 105.4 | 170.4 | -18.4 | 30.1 | 0 | 0 | 0 | 109.8 | ||||
| 46 | G | 59.7 | Low | 66.9 | Low | 38 Ų | 38 | 70.4 Ų | 70.4 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | trans | -95.6 | 152.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q44 S48 | Q44-G46 PolarHBondContact O-N 3.03Å; G46-S48 PolarHBondContact O-N 3.47Å | ||
| 47 | P | 52 | Low | 66.2 | Low | 78 Ų | 78 | 69.3 Ų | 69.3 | 51% | 0.506 | 41% | 0.406 | S | S | . | . | trans | -59.3 | 129.9 | 171.4 | -17.8 | 29.3 | 0 | 0 | 0 | 110.7 | A49 W50 | P47-A49 PolarHBondContact O-N 3.47Å; P47-W50 PolarHBondContact O-N 3.14Å | ||
| 48 | S | 46.9 | Very low | 65.9 | Low | 106 Ų | 106 | 68.4 Ų | 68.4 | 74% | 0.741 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -48.8 | -26.5 | 179.9 | 44.3 | 0 | 0 | 0 | 0 | 114.8 | G46 W50 Q51 | G46-S48 PolarHBondContact O-N 3.47Å; S48-W50 PolarHBondContact O-N 3.15Å; S48-W50 VanDerWaalsContact O-N 3.12Å; S48-Q51 PolarHBondContact O-N 3.27Å |
| 49 | A | 41.6 | Very low | 65.8 | Low | 83 Ų | 83 | 70.4 Ų | 70.4 | 69% | 0.686 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -65.4 | -10.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | P47 | P47-A49 PolarHBondContact O-N 3.47Š|
| 50 | W | 44.5 | Very low | 65.7 | Low | 166 Ų | 166 | 68.8 Ų | 68.8 | 63% | 0.629 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -122.3 | 10.5 | 177 | -58.8 | 92.6 | 0 | 0 | 0 | 113.1 | P47 S48 E52 H297 | P47-W50 PolarHBondContact O-N 3.14Å; S48-W50 PolarHBondContact O-N 3.15Å; S48-W50 VanDerWaalsContact O-N 3.12Å; W50-E52 PolarHBondContact O-N 3.01Å; W50-H297 PolarHBondContact O-CE1 3.46Å; W50-H297 VanDerWaalsContact O-CE1 3.31Å |
| 51 | Q | 47.4 | Very low | 65.8 | Low | 122 Ų | 122 | 67.1 Ų | 67.1 | 57% | 0.57 | 39% | 0.389 | S | S | * | . | trans | -83.9 | 66.8 | 175 | -154.4 | 132.4 | 36.3 | 0 | 0 | 108.4 | S48 | S48-Q51 PolarHBondContact O-N 3.27Š| ||
| 52 | E | 47.5 | Very low | 66.2 | Low | 157 Ų | 157 | 69 Ų | 69 | 73% | 0.734 | 40% | 0.399 | S | S | * | . | trans | -51.3 | 155.3 | 163.7 | -81.7 | -74.2 | 121.3 | 0 | 0 | 109.6 | W50 G54 | W50-E52 PolarHBondContact O-N 3.01Å; E52-G54 VanDerWaalsContact C-N 3.25Å; E52-G54 PolarHBondContact O-N 2.87Å | ||
| 53 | P | 45.1 | Very low | 66.6 | Low | 115 Ų | 115 | 68.3 Ų | 68.3 | 75% | 0.747 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -62.8 | 83.6 | -179.1 | 0.9 | 6.2 | 0 | 0 | 0 | 111.6 | ||
| 54 | G | 53 | Low | 67.1 | Low | 16 Ų | 16 | 63.1 Ų | 63.1 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | trans | -140.2 | 3.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | E52 T56 T57 D58 | E52-G54 VanDerWaalsContact C-N 3.25Å; E52-G54 PolarHBondContact O-N 2.87Å; G54-T56 PolarHBondContact O-N 2.9Å; G54-T56 VanDerWaalsContact O-N 3.14Å; G54-T57 PolarHBondContact O-N 3Å; G54-D58 PolarHBondContact O-N 2.65Å | ||
| 55 | S | 65.3 | Low | 67.9 | Low | 54 Ų | 54 | 59 Ų | 59 | 38% | 0.378 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -53.3 | -38.6 | -178.1 | 65.9 | 0 | 0 | 0 | 0 | 112.7 | L59 | S55-L59 VanDerWaalsContact O-CG 3.28Å; S55-L59 WeakPolarHBondContact O-CG 3.47Å; S55-L59 PolarHBondContact O-N 3.03Å |
| 56 | T | 73.5 | Confident | 69.5 | Low | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.6 | -39.2 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 113 | G54 L59 F60 R134 A139 | G54-T56 PolarHBondContact O-N 2.9Å; G54-T56 VanDerWaalsContact O-N 3.14Å; T56-L59 WeakPolarHBondContact O-CB 3.22Å; T56-L59 PolarHBondContact O-N 2.85Å; T56-F60 HydrophobicContact CG2-CD2 4.31Å; T56-F60 HydrophobicContact CG2-CE2 3.72Å; T56-F60 WeakPolarHBondContact O-CD2 3.43Å; T56-F60 PolarHBondContact O-N 3.47Å; T56-R134 PolarHBondContact OG1-O 2.91Å; T56-R134 VanDerWaalsContact OG1-O 3.1Å; T56-A139 HydrophobicContact CG2-CB 3.58Å |
| 57 | T | 78.7 | Confident | 71.1 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.043 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -80.3 | -34.2 | 178.7 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | G54 L59 F60 I61 D119 R120 R134 M237 | G54-T57 PolarHBondContact O-N 3Å; T57-L59 PolarHBondContact O-N 3.5Å; T57-F60 PolarHBondContact O-N 2.72Å; T57-F60 VanDerWaalsContact O-N 3.16Å; T57-I61 HydrophobicContact CG2-CD1 4.09Å; T57-I61 HydrophobicContact CG2-CG1 4.44Å; T57-I61 WeakPolarHBondContact O-CG1 3.44Å; T57-I61 PolarHBondContact O-N 2.98Å; T57-D119 PolarHBondContact OG1-OD2 2.9Å; T57-R120 PolarHBondContact OG1-NH2 2.63Å; T57-R134 PolarHBondContact OG1-NH2 2.93Å; T57-M237 HydrophobicContact CG2-SD 4.46Å |
| 58 | D | 81.6 | Confident | 73.2 | Confident | 33 Ų | 33 | 50.2 Ų | 50.2 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.3 | -36.8 | 170 | -72.9 | -2 | 0 | 0 | 0 | 110.1 | L42 G54 I61 L62 R301 | L42-D58 HydrophobicContact CD2-CB 4.07Å; G54-D58 PolarHBondContact O-N 2.65Å; D58-I61 PolarHBondContact O-N 2.79Å; D58-L62 WeakPolarHBondContact O-CB 3.4Å; D58-L62 PolarHBondContact O-N 3.32Å; D58-R301 IonicContact OD2-NH1 3.42Å |
| 59 | L | 86.6 | Confident | 75.5 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 172.6 | -76.3 | 170.7 | 0 | 0 | 0 | 113.6 | S55 T56 T57 L62 N63 A139 R140 | S55-L59 VanDerWaalsContact O-CG 3.28Å; S55-L59 WeakPolarHBondContact O-CG 3.47Å; S55-L59 PolarHBondContact O-N 3.03Å; T56-L59 WeakPolarHBondContact O-CB 3.22Å; T56-L59 PolarHBondContact O-N 2.85Å; T57-L59 PolarHBondContact O-N 3.5Å; L59-L62 HydrophobicContact CD2-CD2 4.39Å; L59-L62 WeakPolarHBondContact O-CB 3.35Å; L59-L62 PolarHBondContact O-N 2.64Å; L59-N63 WeakPolarHBondContact O-CB 3.15Å; L59-N63 PolarHBondContact O-N 2.87Å; L59-A139 HydrophobicContact CD1-CB 3.64Å; L59-R140 HydrophobicContact CD1-CG 4.4Å |
| 60 | F | 87.8 | Confident | 78.1 | Confident | 10 Ų | 10 | 44.2 Ų | 44.2 | 4% | 0.044 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.6 | -38.3 | 176.2 | -69.2 | -58.7 | 0 | 0 | 0 | 112.6 | T56 T57 L62 N63 L64 T112 A115 V116 D119 A142 V143 | T56-F60 HydrophobicContact CG2-CD2 4.31Å; T56-F60 HydrophobicContact CG2-CE2 3.72Å; T56-F60 WeakPolarHBondContact O-CD2 3.43Å; T56-F60 PolarHBondContact O-N 3.47Å; T57-F60 PolarHBondContact O-N 2.72Å; T57-F60 VanDerWaalsContact O-N 3.16Å; F60-L62 VanDerWaalsContact C-N 3.33Å; F60-N63 WeakPolarHBondContact O-CB 3.44Å; F60-N63 PolarHBondContact O-N 3.31Å; F60-L64 PolarHBondContact O-N 3.15Å; F60-T112 HydrophobicContact CB-CG2 4.21Å; F60-T112 HydrophobicContact CD1-CG2 4.23Å; F60-A115 HydrophobicContact CE1-CB 4.08Å; F60-A115 HydrophobicContact CZ-CB 4.36Å; F60-V116 HydrophobicContact CB-CG2 3.39Å; F60-V116 HydrophobicContact CD1-CG2 4.25Å; F60-V116 HydrophobicContact CD2-CG2 3.86Å; F60-V116 HydrophobicContact CG-CG2 3.6Å; F60-D119 HydrophobicContact CE2-CB 4.28Å; F60-A142 HydrophobicContact CE1-CB 4.2Å; F60-A142 HydrophobicContact CZ-CB 4.15Å; F60-V143 HydrophobicContact CD1-CG2 4.07Å; F60-V143 HydrophobicContact CE1-CG2 4.1Å |
| 61 | I | 88.1 | Confident | 80.6 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67 | -39.1 | 174.7 | -62.9 | 169.3 | 0 | 0 | 0 | 110.1 | V38 L42 T57 D58 L64 A65 M237 Y291 F298 | V38-I61 HydrophobicContact CG1-CG2 3.73Å; L42-I61 HydrophobicContact CD1-CB 4.16Å; L42-I61 HydrophobicContact CD1-CG2 3.86Å; T57-I61 HydrophobicContact CG2-CD1 4.09Å; T57-I61 HydrophobicContact CG2-CG1 4.44Å; T57-I61 WeakPolarHBondContact O-CG1 3.44Å; T57-I61 PolarHBondContact O-N 2.98Å; D58-I61 PolarHBondContact O-N 2.79Å; I61-L64 PolarHBondContact O-N 3Å; I61-A65 WeakPolarHBondContact O-CB 3.17Å; I61-A65 PolarHBondContact O-N 2.93Å; I61-M237 HydrophobicContact CD1-CE 3.87Å; I61-M237 HydrophobicContact CG1-CE 4.24Å; I61-Y291 HydrophobicContact CG1-CE1 4.43Å; I61-Y291 HydrophobicContact CG2-CD2 4.21Å; I61-Y291 HydrophobicContact CG2-CE2 3.78Å; I61-F298 HydrophobicContact CD1-CE2 3.65Å; I61-F298 HydrophobicContact CD1-CZ 3.76Å; I61-F298 HydrophobicContact CG2-CZ 3.97Å |
| 62 | L | 89.6 | Confident | 82.9 | Confident | 44 Ų | 44 | 30.8 Ų | 30.8 | 23% | 0.23 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 172.1 | -178.4 | 71.6 | 0 | 0 | 0 | 110.9 | L39 L42 L43 D58 L59 F60 L64 A65 V66 | L39-L62 HydrophobicContact CD1-CD1 3.26Å; L42-L62 HydrophobicContact CB-CD1 4.46Å; L42-L62 HydrophobicContact CD1-CB 4.1Å; L43-L62 HydrophobicContact CD2-CD1 4.26Å; D58-L62 WeakPolarHBondContact O-CB 3.4Å; D58-L62 PolarHBondContact O-N 3.32Å; L59-L62 HydrophobicContact CD2-CD2 4.39Å; L59-L62 WeakPolarHBondContact O-CB 3.35Å; L59-L62 PolarHBondContact O-N 2.64Å; F60-L62 VanDerWaalsContact C-N 3.33Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 3.36Å; L62-A65 PolarHBondContact O-N 3.44Å; L62-V66 WeakPolarHBondContact O-CG2 3.26Å; L62-V66 PolarHBondContact O-N 3.46Å |
| 63 | N | 92.4 | Very high | 85.3 | Confident | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.064 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.7 | -45.5 | 177.2 | -171.6 | 62 | 0 | 0 | 0 | 111.7 | L59 F60 V66 A67 T112 V143 W147 | L59-N63 WeakPolarHBondContact O-CB 3.15Å; L59-N63 PolarHBondContact O-N 2.87Å; F60-N63 WeakPolarHBondContact O-CB 3.44Å; F60-N63 PolarHBondContact O-N 3.31Å; N63-V66 PolarHBondContact O-N 3.43Å; N63-A67 WeakPolarHBondContact O-CB 3.47Å; N63-A67 PolarHBondContact O-N 3.5Å; N63-T112 PolarHBondContact ND2-OG1 2.91Å; N63-V143 HydrophobicContact CB-CG1 4.39Å; N63-V143 HydrophobicContact CB-CG2 4.24Å; N63-V143 WeakPolarHBondContact OD1-CG1 3.12Å; N63-W147 PolarHBondContact OD1-NE1 3.3Å |
| 64 | L | 91.4 | Very high | 87.7 | Confident | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.9 | -44.3 | 178.5 | -163.7 | 70.6 | 0 | 0 | 0 | 111.6 | F60 I61 L62 V66 A67 D68 S109 V240 N287 Y291 | F60-L64 PolarHBondContact O-N 3.15Å; I61-L64 PolarHBondContact O-N 3Å; L62-L64 VanDerWaalsContact C-N 3.32Å; L62-L64 PolarHBondContact O-N 3.36Å; L64-V66 VanDerWaalsContact C-N 3.29Å; L64-V66 PolarHBondContact O-N 3.33Å; L64-A67 PolarHBondContact O-N 3.17Å; L64-D68 VanDerWaalsContact O-CB 3.28Å; L64-D68 WeakPolarHBondContact O-CB 3.47Å; L64-D68 PolarHBondContact O-N 2.93Å; L64-S109 WeakPolarHBondContact CD1-OG 3.15Å; L64-V240 HydrophobicContact CD2-CG1 4.33Å; L64-N287 HydrophobicContact CD2-CB 4.18Å; L64-N287 WeakPolarHBondContact CD2-ND2 3.46Å; L64-Y291 WeakPolarHBondContact CD2-OH 3.42Å |
| 65 | A | 92.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | N35 V38 I61 L62 L69 | N35-A65 HydrophobicContact CB-CB 4.42Å; V38-A65 HydrophobicContact CB-CB 4.34Å; V38-A65 HydrophobicContact CG1-CB 3.91Å; I61-A65 WeakPolarHBondContact O-CB 3.17Å; I61-A65 PolarHBondContact O-N 2.93Å; L62-A65 PolarHBondContact O-N 3.44Å; A65-L69 VanDerWaalsContact O-CB 3.3Å; A65-L69 WeakPolarHBondContact O-CB 3.2Å; A65-L69 VanDerWaalsContact O-CG 3.26Å; A65-L69 WeakPolarHBondContact O-CG 3.3Å; A65-L69 PolarHBondContact O-N 3.3Å |
| 66 | V | 93.8 | Very high | 91.1 | Very high | 67 Ų | 67 | 21.4 Ų | 21.4 | 41% | 0.406 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -68.8 | -47.1 | 175.5 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | L39 L62 N63 L64 L69 C70 | L39-V66 HydrophobicContact CD1-CG2 4.46Å; L62-V66 WeakPolarHBondContact O-CG2 3.26Å; L62-V66 PolarHBondContact O-N 3.46Å; N63-V66 PolarHBondContact O-N 3.43Å; L64-V66 VanDerWaalsContact C-N 3.29Å; L64-V66 PolarHBondContact O-N 3.33Å; V66-L69 PolarHBondContact O-N 3.48Å; V66-C70 VanDerWaalsContact O-CB 3.32Å; V66-C70 WeakPolarHBondContact O-CB 3.2Å; V66-C70 PolarHBondContact O-N 3Å |
| 67 | A | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.4 | -45.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N63 L64 C70 F71 T105 A108 W147 | N63-A67 WeakPolarHBondContact O-CB 3.47Å; N63-A67 PolarHBondContact O-N 3.5Å; L64-A67 PolarHBondContact O-N 3.17Å; A67-C70 WeakPolarHBondContact O-CB 3.33Å; A67-C70 PolarHBondContact O-N 3.25Å; A67-F71 PolarHBondContact O-N 2.96Å; A67-T105 WeakPolarHBondContact O-CG2 3.38Å; A67-A108 HydrophobicContact CB-CB 4.4Å; A67-W147 HydrophobicContact CB-CH2 4.39Å; A67-W147 HydrophobicContact CB-CZ2 4.33Å |
| 68 | D | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 179 | -70.6 | -15.8 | 0 | 0 | 0 | 111.3 | L64 C70 F71 I72 S109 N287 | L64-D68 VanDerWaalsContact O-CB 3.28Å; L64-D68 WeakPolarHBondContact O-CB 3.47Å; L64-D68 PolarHBondContact O-N 2.93Å; D68-C70 VanDerWaalsContact C-N 3.34Å; D68-C70 PolarHBondContact O-N 3.39Å; D68-F71 WeakPolarHBondContact O-CB 3.25Å; D68-F71 PolarHBondContact O-N 3.43Å; D68-I72 HydrophobicContact CB-CD1 4.45Å; D68-I72 WeakPolarHBondContact O-CB 3.38Å; D68-I72 VanDerWaalsContact O-CD1 3.25Å; D68-I72 WeakPolarHBondContact O-CD1 3.38Å; D68-I72 WeakPolarHBondContact O-CG1 3.32Å; D68-I72 PolarHBondContact O-N 2.93Å; D68-S109 PolarHBondContact OD1-OG 3.28Å; D68-N287 PolarHBondContact OD2-ND2 3.15Å |
| 69 | L | 95.6 | Very high | 93.4 | Very high | 23 Ų | 23 | 25 Ų | 25 | 12% | 0.12 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 174.5 | -80.2 | 170.4 | 0 | 0 | 0 | 112.1 | T32 N35 L39 A65 V66 F71 I72 L73 | T32-L69 HydrophobicContact CG2-CD2 4.45Å; N35-L69 HydrophobicContact CB-CD1 4.22Å; N35-L69 HydrophobicContact CB-CD2 3.89Å; N35-L69 HydrophobicContact CB-CG 3.63Å; L39-L69 HydrophobicContact CD2-CD1 4.06Å; A65-L69 VanDerWaalsContact O-CB 3.3Å; A65-L69 WeakPolarHBondContact O-CB 3.2Å; A65-L69 VanDerWaalsContact O-CG 3.26Å; A65-L69 WeakPolarHBondContact O-CG 3.3Å; A65-L69 PolarHBondContact O-N 3.3Å; V66-L69 PolarHBondContact O-N 3.48Å; L69-F71 VanDerWaalsContact C-N 3.33Å; L69-I72 PolarHBondContact O-N 3.36Å; L69-L73 VanDerWaalsContact O-CB 3.31Å; L69-L73 WeakPolarHBondContact O-CB 3.22Å; L69-L73 VanDerWaalsContact O-CG 3.26Å; L69-L73 WeakPolarHBondContact O-CG 3.47Å; L69-L73 PolarHBondContact O-N 3Å |
| 70 | C | 95.9 | Very high | 93.6 | Very high | 40 Ų | 40 | 23.5 Ų | 23.5 | 27% | 0.27 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 176.5 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | V66 A67 D68 C74 T105 | V66-C70 VanDerWaalsContact O-CB 3.32Å; V66-C70 WeakPolarHBondContact O-CB 3.2Å; V66-C70 PolarHBondContact O-N 3Å; A67-C70 WeakPolarHBondContact O-CB 3.33Å; A67-C70 PolarHBondContact O-N 3.25Å; D68-C70 VanDerWaalsContact C-N 3.34Å; D68-C70 PolarHBondContact O-N 3.39Å; C70-C74 WeakPolarHBondContact O-CB 3.34Å; C70-C74 PolarHBondContact O-N 3.22Å; C70-T105 HydrophobicContact CB-CG2 4.18Å |
| 71 | F | 96.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60 | -48.3 | 174.5 | 175.4 | -101 | 0 | 0 | 0 | 112.5 | A67 D68 L69 C75 V76 I102 T105 Y281 S284 | A67-F71 PolarHBondContact O-N 2.96Å; D68-F71 WeakPolarHBondContact O-CB 3.25Å; D68-F71 PolarHBondContact O-N 3.43Å; L69-F71 VanDerWaalsContact C-N 3.33Å; F71-C75 HydrophobicContact CD2-CB 3.86Å; F71-C75 HydrophobicContact CE2-CB 3.96Å; F71-C75 WeakPolarHBondContact O-CA 3.46Å; F71-C75 WeakPolarHBondContact O-CB 3.33Å; F71-C75 PolarHBondContact O-N 3.46Å; F71-V76 HydrophobicContact CD1-CG2 4.22Å; F71-V76 HydrophobicContact CE1-CG2 3.69Å; F71-V76 HydrophobicContact CZ-CG2 4.13Å; F71-V76 PolarHBondContact O-N 3.07Å; F71-I102 HydrophobicContact CD2-CG1 4.47Å; F71-I102 HydrophobicContact CE2-CB 4.41Å; F71-I102 HydrophobicContact CE2-CG1 4.01Å; F71-I102 HydrophobicContact CE2-CG2 4.2Å; F71-T105 HydrophobicContact CB-CG2 4.15Å; F71-T105 WeakPolarHBondContact CD2-OG1 3.2Å; F71-Y281 HydrophobicContact CE1-CD1 4.11Å; F71-Y281 HydrophobicContact CE1-CG 4.16Å; F71-Y281 HydrophobicContact CE2-CD1 4.17Å; F71-Y281 HydrophobicContact CE2-CE1 4.21Å; F71-Y281 AromaticContact CZ-CD1 3.33Å; F71-Y281 HydrophobicContact CZ-CD1 3.33Å; F71-Y281 HydrophobicContact CZ-CD2 4.42Å; F71-Y281 AromaticContact CZ-CE1 3.75Å; F71-Y281 HydrophobicContact CZ-CE1 3.75Å; F71-Y281 AromaticContact CZ-CG 3.68Å; F71-Y281 HydrophobicContact CZ-CG 3.68Å; F71-S284 WeakPolarHBondContact CD1-OG 3.44Å |
| 72 | I | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.9 | -41.9 | -176.3 | -69.9 | 156.5 | 0 | 0 | 0 | 111.6 | F28 T32 D68 L69 V76 P77 | F28-I72 HydrophobicContact CD2-CG2 3.8Å; F28-I72 WeakPolarHBondContact CD2-O 3.37Å; F28-I72 HydrophobicContact CE2-CG2 4.31Å; F28-I72 WeakPolarHBondContact CE2-O 3.45Å; F28-I72 HydrophobicContact CG-CG2 4.34Å; T32-I72 WeakPolarHBondContact OG1-CG2 3.47Å; D68-I72 HydrophobicContact CB-CD1 4.45Å; D68-I72 WeakPolarHBondContact O-CB 3.38Å; D68-I72 VanDerWaalsContact O-CD1 3.25Å; D68-I72 WeakPolarHBondContact O-CD1 3.38Å; D68-I72 WeakPolarHBondContact O-CG1 3.32Å; D68-I72 PolarHBondContact O-N 2.93Å; L69-I72 PolarHBondContact O-N 3.36Å; I72-V76 WeakPolarHBondContact O-CB 3.22Å; I72-P77 WeakPolarHBondContact O-CD 3.31Å |
| 73 | L | 96.2 | Very high | 93.7 | Very high | 86 Ų | 86 | 26.1 Ų | 26.1 | 45% | 0.45 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -78.9 | -39 | -176.3 | -65.4 | 175.6 | 0 | 0 | 0 | 112.1 | F28 T32 L69 | F28-L73 HydrophobicContact CE2-CD2 3.97Å; F28-L73 HydrophobicContact CZ-CD2 3.95Å; T32-L73 HydrophobicContact CG2-CD2 4.08Å; L69-L73 VanDerWaalsContact O-CB 3.31Å; L69-L73 WeakPolarHBondContact O-CB 3.22Å; L69-L73 VanDerWaalsContact O-CG 3.26Å; L69-L73 WeakPolarHBondContact O-CG 3.47Å; L69-L73 PolarHBondContact O-N 3Å |
| 74 | C | 95.8 | Very high | 93.4 | Very high | 55 Ų | 55 | 28.3 Ų | 28.3 | 37% | 0.372 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -101.7 | -17.6 | -169.9 | -56.9 | 0 | 0 | 0 | 0 | 114.1 | C70 F78 L101 | C70-C74 WeakPolarHBondContact O-CB 3.34Å; C70-C74 PolarHBondContact O-N 3.22Å; C74-F78 WeakPolarHBondContact O-CD2 3.48Å; C74-L101 HydrophobicContact CB-CD2 3.33Å |
| 75 | C | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -46.8 | -175.4 | -50.9 | 0 | 0 | 0 | 0 | 112.8 | F71 F78 Q79 I102 | F71-C75 HydrophobicContact CD2-CB 3.86Å; F71-C75 HydrophobicContact CE2-CB 3.96Å; F71-C75 WeakPolarHBondContact O-CA 3.46Å; F71-C75 WeakPolarHBondContact O-CB 3.33Å; F71-C75 PolarHBondContact O-N 3.46Å; C75-F78 PolarHBondContact O-N 3.22Å; C75-Q79 WeakPolarHBondContact O-CB 3.2Å; C75-Q79 PolarHBondContact O-N 3.12Å; C75-I102 HydrophobicContact CB-CD1 4.24Å; C75-I102 HydrophobicContact CB-CG1 3.53Å |
| 76 | V | 95.3 | Very high | 93 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.7 | -44.6 | -174.2 | 159.2 | 0 | 0 | 0 | 0 | 113.9 | F24 I27 F28 F71 I72 Q79 A80 | F24-V76 HydrophobicContact CD1-CG1 4.06Å; I27-V76 HydrophobicContact CG2-CG2 4.26Å; F28-V76 HydrophobicContact CB-CG1 4.03Å; F28-V76 HydrophobicContact CD2-CG1 4.22Å; F71-V76 HydrophobicContact CD1-CG2 4.22Å; F71-V76 HydrophobicContact CE1-CG2 3.69Å; F71-V76 HydrophobicContact CZ-CG2 4.13Å; F71-V76 PolarHBondContact O-N 3.07Å; I72-V76 WeakPolarHBondContact O-CB 3.22Å; V76-Q79 PolarHBondContact O-N 3.45Å; V76-A80 PolarHBondContact O-N 2.93Å |
| 77 | P | 94.3 | Very high | 93 | Very high | 54 Ų | 54 | 36 Ų | 36 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -61.9 | -46.4 | 178.9 | -24.6 | 35.1 | 0 | 0 | 0 | 112.7 | F28 I72 Q79 A80 T81 | F28-P77 HydrophobicContact CD2-CG 4.19Å; F28-P77 HydrophobicContact CE2-CG 3.99Å; I72-P77 WeakPolarHBondContact O-CD 3.31Å; P77-Q79 VanDerWaalsContact C-N 3.33Å; P77-Q79 PolarHBondContact O-N 3.36Å; P77-A80 WeakPolarHBondContact O-CB 3.43Å; P77-A80 PolarHBondContact O-N 3.42Å; P77-T81 PolarHBondContact O-N 3.17Å |
| 78 | F | 94.8 | Very high | 93 | Very high | 56 Ų | 56 | 36.6 Ų | 36.6 | 25% | 0.246 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | 177.6 | -66.3 | -78.9 | 0 | 0 | 0 | 111.6 | C74 C75 A80 T81 I82 W88 F90 V94 V98 | C74-F78 WeakPolarHBondContact O-CD2 3.48Å; C75-F78 PolarHBondContact O-N 3.22Å; F78-A80 VanDerWaalsContact C-N 3.3Å; F78-A80 PolarHBondContact O-N 2.82Å; F78-T81 PolarHBondContact O-N 3.46Å; F78-T81 VanDerWaalsContact O-N 3.13Å; F78-T81 PolarHBondContact O-OG1 3.47Å; F78-I82 PolarHBondContact O-N 2.88Å; F78-W88 HydrophobicContact CB-CH2 4.13Å; F78-W88 HydrophobicContact CB-CZ3 4.45Å; F78-W88 HydrophobicContact CD1-CH2 4.06Å; F78-W88 HydrophobicContact CG-CH2 4.47Å; F78-F90 HydrophobicContact CD1-CD1 4.26Å; F78-F90 AromaticContact CD1-CD2 3.9Å; F78-F90 HydrophobicContact CD1-CD2 3.9Å; F78-F90 HydrophobicContact CD1-CE1 4.41Å; F78-F90 HydrophobicContact CD1-CE2 4.08Å; F78-F90 HydrophobicContact CD1-CG 4.01Å; F78-F90 HydrophobicContact CD1-CZ 4.32Å; F78-F90 HydrophobicContact CE1-CB 4.44Å; F78-F90 AromaticContact CE1-CD1 3.8Å; F78-F90 HydrophobicContact CE1-CD1 3.8Å; F78-F90 HydrophobicContact CE1-CD2 4.26Å; F78-F90 HydrophobicContact CE1-CE1 4.09Å; F78-F90 AromaticContact CE1-CG 3.89Å; F78-F90 HydrophobicContact CE1-CG 3.89Å; F78-F90 HydrophobicContact CE1-CZ 4.45Å; F78-V94 HydrophobicContact CD1-CG1 3.9Å; F78-V94 HydrophobicContact CE1-CG1 3.61Å; F78-V94 HydrophobicContact CZ-CG1 4.04Å; F78-V98 HydrophobicContact CB-CG1 3.93Å; F78-V98 HydrophobicContact CB-CG2 3.89Å; F78-V98 HydrophobicContact CD1-CG2 4.3Å; F78-V98 HydrophobicContact CD2-CG2 3.66Å; F78-V98 HydrophobicContact CE2-CG2 4.24Å; F78-V98 HydrophobicContact CG-CG2 3.69Å |
| 79 | Q | 92.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 42.6 Ų | 42.6 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -36.1 | 177 | -166.4 | 60.8 | 40 | 0 | 0 | 112.2 | F24 C75 V76 P77 T81 I82 Y83 Y281 | F24-Q79 HydrophobicContact CE1-CB 4.12Å; F24-Q79 HydrophobicContact CE1-CG 3.91Å; F24-Q79 HydrophobicContact CZ-CG 4.06Å; C75-Q79 WeakPolarHBondContact O-CB 3.2Å; C75-Q79 PolarHBondContact O-N 3.12Å; V76-Q79 PolarHBondContact O-N 3.45Å; P77-Q79 VanDerWaalsContact C-N 3.33Å; P77-Q79 PolarHBondContact O-N 3.36Å; Q79-T81 VanDerWaalsContact C-N 3.29Å; Q79-T81 PolarHBondContact O-N 2.97Å; Q79-I82 PolarHBondContact O-N 3.42Å; Q79-Y83 HydrophobicContact CG-CE2 4.04Å; Q79-Y83 VanDerWaalsContact NE2-CE2 3.3Å; Q79-Y83 VanDerWaalsContact O-CD2 3.22Å; Q79-Y83 WeakPolarHBondContact O-CD2 3.31Å; Q79-Y281 HydrophobicContact CB-CE2 4.46Å; Q79-Y281 HydrophobicContact CG-CE2 3.46Å; Q79-Y281 VanDerWaalsContact CG-CE2 3.46Å; Q79-Y281 WeakPolarHBondContact CG-OH 3.46Å |
| 80 | A | 91.8 | Very high | 92.9 | Very high | 17 Ų | 17 | 45.2 Ų | 45.2 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -43.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F24 V76 P77 F78 I82 Y83 T84 | F24-A80 HydrophobicContact CB-CB 3.87Å; F24-A80 HydrophobicContact CD1-CB 4.31Å; F24-A80 HydrophobicContact CD2-CB 4.25Å; F24-A80 HydrophobicContact CG-CB 3.9Å; V76-A80 PolarHBondContact O-N 2.93Å; P77-A80 WeakPolarHBondContact O-CB 3.43Å; P77-A80 PolarHBondContact O-N 3.42Å; F78-A80 VanDerWaalsContact C-N 3.3Å; F78-A80 PolarHBondContact O-N 2.82Å; A80-I82 VanDerWaalsContact C-N 3.28Å; A80-I82 PolarHBondContact O-N 3.01Å; A80-Y83 PolarHBondContact O-N 3.33Å; A80-T84 WeakPolarHBondContact O-CG2 3.33Å; A80-T84 PolarHBondContact O-N 3.43Å; A80-T84 VanDerWaalsContact O-N 3.12Å; A80-T84 PolarHBondContact O-OG1 3.02Å |
| 81 | T | 91.4 | Very high | 92.9 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 17% | 0.166 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.6 | -32.8 | 178.9 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | P77 F78 Q79 Y83 T84 L85 F90 | P77-T81 PolarHBondContact O-N 3.17Å; F78-T81 PolarHBondContact O-N 3.46Å; F78-T81 VanDerWaalsContact O-N 3.13Å; F78-T81 PolarHBondContact O-OG1 3.47Å; Q79-T81 VanDerWaalsContact C-N 3.29Å; Q79-T81 PolarHBondContact O-N 2.97Å; T81-Y83 PolarHBondContact O-N 2.97Å; T81-T84 WeakPolarHBondContact CA-OG1 3.08Å; T81-T84 PolarHBondContact O-N 2.98Å; T81-L85 HydrophobicContact CG2-CD1 4.16Å; T81-L85 WeakPolarHBondContact O-CB 3.33Å; T81-L85 PolarHBondContact O-N 3.28Å; T81-F90 HydrophobicContact CG2-CE2 4.06Å; T81-F90 HydrophobicContact CG2-CZ 4.04Å; T81-F90 WeakPolarHBondContact OG1-CE2 3.25Å |
| 82 | I | 89.3 | Confident | 92.8 | Very high | 55 Ų | 55 | 46.4 Ų | 46.4 | 28% | 0.282 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.9 | -27 | 176.6 | -67.3 | 172.4 | 0 | 0 | 0 | 111.9 | F78 Q79 A80 W88 | F78-I82 PolarHBondContact O-N 2.88Å; Q79-I82 PolarHBondContact O-N 3.42Å; A80-I82 VanDerWaalsContact C-N 3.28Å; A80-I82 PolarHBondContact O-N 3.01Å; I82-W88 HydrophobicContact CD1-CE3 4.39Å; I82-W88 HydrophobicContact CD1-CZ3 3.95Å; I82-W88 HydrophobicContact CG1-CE3 3.89Å; I82-W88 HydrophobicContact CG1-CZ3 3.71Å |
| 83 | Y | 85.4 | Confident | 92.8 | Very high | 30 Ų | 30 | 53.2 Ų | 53.2 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -101 | -10.3 | 180 | -65.4 | -70.5 | 0 | 0 | 0 | 113.8 | V20 F24 Q79 A80 T81 L274 H277 | V20-Y83 VanDerWaalsContact CG1-CB 3.48Å; V20-Y83 HydrophobicContact CG1-CG 4.34Å; F24-Y83 AromaticContact CE2-CD2 3.71Å; F24-Y83 HydrophobicContact CE2-CD2 3.71Å; F24-Y83 HydrophobicContact CE2-CE2 4.14Å; F24-Y83 AromaticContact CZ-CD2 3.74Å; F24-Y83 HydrophobicContact CZ-CD2 3.74Å; F24-Y83 AromaticContact CZ-CE2 3.77Å; F24-Y83 HydrophobicContact CZ-CE2 3.77Å; Q79-Y83 HydrophobicContact CG-CE2 4.04Å; Q79-Y83 VanDerWaalsContact NE2-CE2 3.3Å; Q79-Y83 VanDerWaalsContact O-CD2 3.22Å; Q79-Y83 WeakPolarHBondContact O-CD2 3.31Å; A80-Y83 PolarHBondContact O-N 3.33Å; T81-Y83 PolarHBondContact O-N 2.97Å; Y83-L274 HydrophobicContact CD1-CD1 3.94Å; Y83-L274 HydrophobicContact CD2-CD1 4.42Å; Y83-L274 HydrophobicContact CE1-CD1 3.98Å; Y83-L274 HydrophobicContact CE2-CD1 4.45Å; Y83-L274 HydrophobicContact CG-CD1 4.17Å; Y83-H277 PolarHBondContact OH-CD2 3.08Å |
| 84 | T | 86.7 | Confident | 92.8 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 36% | 0.362 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -115.1 | -24.8 | -176.4 | 62.4 | 0 | 0 | 0 | 0 | 114 | V20 P21 A80 T81 | V20-T84 HydrophobicContact CG1-CG2 3.96Å; P21-T84 HydrophobicContact CB-CG2 4.28Å; P21-T84 HydrophobicContact CG-CG2 3.71Å; A80-T84 WeakPolarHBondContact O-CG2 3.33Å; A80-T84 PolarHBondContact O-N 3.43Å; A80-T84 VanDerWaalsContact O-N 3.12Å; A80-T84 PolarHBondContact O-OG1 3.02Å; T81-T84 WeakPolarHBondContact CA-OG1 3.08Å; T81-T84 PolarHBondContact O-N 2.98Å |
| 85 | L | 88.7 | Confident | 92.8 | Very high | 72 Ų | 72 | 48.6 Ų | 48.6 | 38% | 0.377 | 27% | 0.274 | S | S | . | . | trans | -106 | 144.7 | 177.8 | -55.6 | -176.8 | 0 | 0 | 0 | 109.7 | T81 A87 L89 | T81-L85 HydrophobicContact CG2-CD1 4.16Å; T81-L85 WeakPolarHBondContact O-CB 3.33Å; T81-L85 PolarHBondContact O-N 3.28Å; L85-A87 VanDerWaalsContact C-N 3.27Å; L85-A87 PolarHBondContact O-N 3.19Å; L85-L89 HydrophobicContact CD1-CD1 4.02Å; L85-L89 HydrophobicContact CD1-CG 4.49Å | ||
| 86 | D | 87.4 | Confident | 92.9 | Very high | 140 Ų | 140 | 52.5 Ų | 52.5 | 75% | 0.749 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -75.6 | -18.2 | 177.2 | -55.9 | -48.9 | 0 | 0 | 0 | 112.9 | L171 | D86-L171 WeakPolarHBondContact O-CD2 3.38Š|
| 87 | A | 92.6 | Very high | 92.9 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -133.2 | 148.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L85 L89 L169 | L85-A87 VanDerWaalsContact C-N 3.27Å; L85-A87 PolarHBondContact O-N 3.19Å; A87-L89 HydrophobicContact CB-CD2 4.15Å; A87-L169 HydrophobicContact CB-CD2 3.93Å |
| 88 | W | 94.8 | Very high | 93 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 5% | 0.045 | 29% | 0.294 | C | S | . | . | trans | -82.8 | 114.2 | 170.3 | -178.9 | -99.8 | 0 | 0 | 0 | 110.9 | F78 I82 F90 G91 V94 C95 E170 C172 | F78-W88 HydrophobicContact CB-CH2 4.13Å; F78-W88 HydrophobicContact CB-CZ3 4.45Å; F78-W88 HydrophobicContact CD1-CH2 4.06Å; F78-W88 HydrophobicContact CG-CH2 4.47Å; I82-W88 HydrophobicContact CD1-CE3 4.39Å; I82-W88 HydrophobicContact CD1-CZ3 3.95Å; I82-W88 HydrophobicContact CG1-CE3 3.89Å; I82-W88 HydrophobicContact CG1-CZ3 3.71Å; W88-F90 HydrophobicContact CD2-CD2 4.03Å; W88-F90 AromaticContact CE2-CD2 3.93Å; W88-F90 AromaticContact CE3-CD2 3.95Å; W88-F90 HydrophobicContact CE3-CD2 3.95Å; W88-F90 HydrophobicContact CH2-CB 4.39Å; W88-F90 AromaticContact CH2-CD2 3.74Å; W88-F90 HydrophobicContact CH2-CD2 3.74Å; W88-F90 HydrophobicContact CH2-CG 4.44Å; W88-F90 HydrophobicContact CZ2-CB 3.69Å; W88-F90 AromaticContact CZ2-CD2 3.8Å; W88-F90 HydrophobicContact CZ2-CD2 3.8Å; W88-F90 HydrophobicContact CZ2-CG 4.19Å; W88-F90 AromaticContact CZ3-CD2 3.8Å; W88-F90 HydrophobicContact CZ3-CD2 3.8Å; W88-F90 HydrophobicContact CZ3-CE2 4.32Å; W88-G91 PolarHBondContact NE1-O 3.09Å; W88-V94 HydrophobicContact CH2-CG1 4.32Å; W88-V94 HydrophobicContact CZ2-CB 4.07Å; W88-V94 HydrophobicContact CZ2-CG1 3.88Å; W88-C95 HydrophobicContact CZ2-CB 3.97Å; W88-E170 WeakPolarHBondContact CB-O 3.39Å; W88-E170 PolarHBondContact N-O 3.47Å; W88-C172 HydrophobicContact CB-CB 4.04Å; W88-C172 HydrophobicContact CD2-CB 3.66Å; W88-C172 HydrophobicContact CE3-CB 4.01Å; W88-C172 HydrophobicContact CG-CB 3.67Å | ||
| 89 | L | 94.8 | Very high | 93.1 | Very high | 125 Ų | 125 | 50.2 Ų | 50.2 | 65% | 0.654 | 29% | 0.285 | S | S | * | . | trans | -100.6 | -3.6 | -171.7 | -54.8 | 179.7 | 0 | 0 | 0 | 114.6 | L85 A87 | L85-L89 HydrophobicContact CD1-CD1 4.02Å; L85-L89 HydrophobicContact CD1-CG 4.49Å; A87-L89 HydrophobicContact CB-CD2 4.15Å | ||
| 90 | F | 95.6 | Very high | 93.3 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -101.7 | 4.9 | -168 | -48.6 | -79.5 | 0 | 0 | 0 | 114 | F78 T81 W88 V94 | F78-F90 HydrophobicContact CD1-CD1 4.26Å; F78-F90 AromaticContact CD1-CD2 3.9Å; F78-F90 HydrophobicContact CD1-CD2 3.9Å; F78-F90 HydrophobicContact CD1-CE1 4.41Å; F78-F90 HydrophobicContact CD1-CE2 4.08Å; F78-F90 HydrophobicContact CD1-CG 4.01Å; F78-F90 HydrophobicContact CD1-CZ 4.32Å; F78-F90 HydrophobicContact CE1-CB 4.44Å; F78-F90 AromaticContact CE1-CD1 3.8Å; F78-F90 HydrophobicContact CE1-CD1 3.8Å; F78-F90 HydrophobicContact CE1-CD2 4.26Å; F78-F90 HydrophobicContact CE1-CE1 4.09Å; F78-F90 AromaticContact CE1-CG 3.89Å; F78-F90 HydrophobicContact CE1-CG 3.89Å; F78-F90 HydrophobicContact CE1-CZ 4.45Å; T81-F90 HydrophobicContact CG2-CE2 4.06Å; T81-F90 HydrophobicContact CG2-CZ 4.04Å; T81-F90 WeakPolarHBondContact OG1-CE2 3.25Å; W88-F90 HydrophobicContact CD2-CD2 4.03Å; W88-F90 AromaticContact CE2-CD2 3.93Å; W88-F90 AromaticContact CE3-CD2 3.95Å; W88-F90 HydrophobicContact CE3-CD2 3.95Å; W88-F90 HydrophobicContact CH2-CB 4.39Å; W88-F90 AromaticContact CH2-CD2 3.74Å; W88-F90 HydrophobicContact CH2-CD2 3.74Å; W88-F90 HydrophobicContact CH2-CG 4.44Å; W88-F90 HydrophobicContact CZ2-CB 3.69Å; W88-F90 AromaticContact CZ2-CD2 3.8Å; W88-F90 HydrophobicContact CZ2-CD2 3.8Å; W88-F90 HydrophobicContact CZ2-CG 4.19Å; W88-F90 AromaticContact CZ3-CD2 3.8Å; W88-F90 HydrophobicContact CZ3-CD2 3.8Å; W88-F90 HydrophobicContact CZ3-CE2 4.32Å; F90-V94 HydrophobicContact CB-CB 3.78Å; F90-V94 HydrophobicContact CB-CG1 3.8Å; F90-V94 HydrophobicContact CB-CG2 4.14Å; F90-V94 WeakPolarHBondContact O-CB 3.24Å; F90-V94 WeakPolarHBondContact O-CG2 3.44Å |
| 91 | G | 94.6 | Very high | 93.5 | Very high | 29 Ų | 29 | 52.6 Ų | 52.6 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | 72.7 | 173.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | W88 L93 V94 C95 | W88-G91 PolarHBondContact NE1-O 3.09Å; G91-L93 PolarHBondContact O-N 2.9Å; G91-V94 PolarHBondContact O-N 2.97Å; G91-C95 PolarHBondContact O-N 2.66Å |
| 92 | A | 95.1 | Very high | 93.7 | Very high | 42 Ų | 42 | 51.7 Ų | 51.7 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.4 | -36.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C95 K96 T163 | A92-C95 PolarHBondContact O-N 3.44Å; A92-K96 WeakPolarHBondContact O-CG 2.85Å; A92-K96 PolarHBondContact O-N 2.88Å; A92-K96 VanDerWaalsContact O-N 3.11Å; A92-T163 HydrophobicContact CB-CG2 4.3Å |
| 93 | L | 96 | Very high | 94.1 | Very high | 143 Ų | 143 | 50.1 Ų | 50.1 | 75% | 0.749 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.5 | -47.5 | -179.6 | 178.6 | 63 | 0 | 0 | 0 | 111.2 | G91 K96 A97 | G91-L93 PolarHBondContact O-N 2.9Å; L93-K96 PolarHBondContact O-N 2.8Å; L93-A97 VanDerWaalsContact O-CB 3.29Å; L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 2.96Å |
| 94 | V | 96.5 | Very high | 94.6 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | -179.9 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | F78 W88 F90 G91 K96 A97 V98 | F78-V94 HydrophobicContact CD1-CG1 3.9Å; F78-V94 HydrophobicContact CE1-CG1 3.61Å; F78-V94 HydrophobicContact CZ-CG1 4.04Å; W88-V94 HydrophobicContact CH2-CG1 4.32Å; W88-V94 HydrophobicContact CZ2-CB 4.07Å; W88-V94 HydrophobicContact CZ2-CG1 3.88Å; F90-V94 HydrophobicContact CB-CB 3.78Å; F90-V94 HydrophobicContact CB-CG1 3.8Å; F90-V94 HydrophobicContact CB-CG2 4.14Å; F90-V94 WeakPolarHBondContact O-CB 3.24Å; F90-V94 WeakPolarHBondContact O-CG2 3.44Å; G91-V94 PolarHBondContact O-N 2.97Å; V94-K96 VanDerWaalsContact C-N 3.32Å; V94-K96 PolarHBondContact O-N 3.45Å; V94-A97 PolarHBondContact O-N 2.93Å; V94-V98 HydrophobicContact CG1-CG2 3.78Å; V94-V98 WeakPolarHBondContact O-CB 3.46Å; V94-V98 VanDerWaalsContact O-CG2 3.28Å; V94-V98 WeakPolarHBondContact O-CG2 3.37Å; V94-V98 PolarHBondContact O-N 3.31Å |
| 95 | C | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.3 | -48.9 | 175.3 | 171 | 0 | 0 | 0 | 0 | 111.2 | W88 G91 A92 H99 T163 C172 | W88-C95 HydrophobicContact CZ2-CB 3.97Å; G91-C95 PolarHBondContact O-N 2.66Å; A92-C95 PolarHBondContact O-N 3.44Å; C95-H99 PolarHBondContact O-N 3.36Å; C95-H99 PolarHBondContact O-ND1 2.81Å; C95-T163 HydrophobicContact CB-CG2 3.98Å; C95-C172 HydrophobicContact CB-CB 3.87Å; C95-C172 WeakPolarHBondContact CB-SG 3.29Å; C95-C172 WeakPolarHBondContact SG-CB 3.46Å; C95-C172 CovalentContact SG-SG 2.03Å; C95-C172 PolarHBondContact SG-SG 3.31Å |
| 96 | K | 96.5 | Very high | 95.4 | Very high | 82 Ų | 82 | 44.4 Ų | 44.4 | 36% | 0.357 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.7 | -46.6 | 177.8 | -71 | 178.7 | 174.2 | -167 | 0 | 112.7 | A92 L93 V94 H99 L100 L158 Y161 | A92-K96 WeakPolarHBondContact O-CG 2.85Å; A92-K96 PolarHBondContact O-N 2.88Å; A92-K96 VanDerWaalsContact O-N 3.11Å; L93-K96 PolarHBondContact O-N 2.8Å; V94-K96 VanDerWaalsContact C-N 3.32Å; V94-K96 PolarHBondContact O-N 3.45Å; K96-H99 PolarHBondContact O-N 2.87Å; K96-L100 VanDerWaalsContact O-CB 3.3Å; K96-L100 WeakPolarHBondContact O-CB 3.17Å; K96-L100 PolarHBondContact O-N 3.5Å; K96-L158 HydrophobicContact CB-CD2 4.47Å; K96-L158 WeakPolarHBondContact CD-O 3.4Å; K96-L158 WeakPolarHBondContact CE-O 3.41Å; K96-Y161 WeakPolarHBondContact CE-O 3.44Å; K96-Y161 WeakPolarHBondContact CG-O 3.21Å |
| 97 | A | 96.3 | Very high | 95.8 | Very high | 48 Ų | 48 | 37.8 Ų | 37.8 | 40% | 0.397 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.6 | -44.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L93 V94 L100 L101 | L93-A97 VanDerWaalsContact O-CB 3.29Å; L93-A97 WeakPolarHBondContact O-CB 3.43Å; L93-A97 PolarHBondContact O-N 2.96Å; V94-A97 PolarHBondContact O-N 2.93Å; A97-L100 PolarHBondContact O-N 3.16Å; A97-L101 VanDerWaalsContact O-CB 3.31Å; A97-L101 WeakPolarHBondContact O-CB 3.33Å; A97-L101 PolarHBondContact O-N 3.38Å |
| 98 | V | 96.5 | Very high | 96 | Very high | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.9 | -49.5 | 178.1 | 168.4 | 0 | 0 | 0 | 0 | 110.3 | F78 V94 L101 I102 | F78-V98 HydrophobicContact CB-CG1 3.93Å; F78-V98 HydrophobicContact CB-CG2 3.89Å; F78-V98 HydrophobicContact CD1-CG2 4.3Å; F78-V98 HydrophobicContact CD2-CG2 3.66Å; F78-V98 HydrophobicContact CE2-CG2 4.24Å; F78-V98 HydrophobicContact CG-CG2 3.69Å; V94-V98 HydrophobicContact CG1-CG2 3.78Å; V94-V98 WeakPolarHBondContact O-CB 3.46Å; V94-V98 VanDerWaalsContact O-CG2 3.28Å; V94-V98 WeakPolarHBondContact O-CG2 3.37Å; V94-V98 PolarHBondContact O-N 3.31Å; V98-L101 PolarHBondContact O-N 2.95Å; V98-I102 HydrophobicContact CG1-CD1 3.93Å; V98-I102 HydrophobicContact CG1-CG1 4.45Å; V98-I102 VanDerWaalsContact O-CG1 3.29Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 3.32Å |
| 99 | H | 95.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 36.4 Ų | 36.4 | 5% | 0.046 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.2 | -41.8 | 179.9 | -73.1 | 87.8 | 0 | 0 | 0 | 112.1 | C95 K96 L101 I102 Y103 Y161 C172 | C95-H99 PolarHBondContact O-N 3.36Å; C95-H99 PolarHBondContact O-ND1 2.81Å; K96-H99 PolarHBondContact O-N 2.87Å; H99-L101 PolarHBondContact O-N 3.39Å; H99-I102 WeakPolarHBondContact O-CB 3.35Å; H99-I102 PolarHBondContact O-N 3.47Å; H99-Y103 WeakPolarHBondContact O-CD2 3.45Å; H99-Y103 PolarHBondContact O-N 2.97Å; H99-Y103 VanDerWaalsContact O-N 3.13Å; H99-Y161 HydrophobicContact CB-CD1 4.4Å; H99-Y161 HydrophobicContact CB-CD2 3.39Å; H99-Y161 HydrophobicContact CB-CE2 3.85Å; H99-Y161 HydrophobicContact CB-CG 3.73Å; H99-Y161 AromaticContact CD2-CD1 3.61Å; H99-Y161 AromaticContact CD2-CD2 3.73Å; H99-Y161 AromaticContact CD2-CE1 3.3Å; H99-Y161 WeakPolarHBondContact CD2-CE1 3.31Å; H99-Y161 AromaticContact CD2-CE2 3.48Å; H99-Y161 VanDerWaalsContact CD2-CE2 3.48Å; H99-Y161 WeakPolarHBondContact CD2-CE2 3.46Å; H99-Y161 AromaticContact CD2-CG 3.81Å; H99-Y161 AromaticContact CD2-CZ 3.24Å; H99-Y161 AromaticContact CE1-CD1 3.9Å; H99-Y161 AromaticContact CG-CD1 3.71Å; H99-Y161 AromaticContact CG-CD2 3.58Å; H99-Y161 AromaticContact CG-CE1 3.91Å; H99-Y161 AromaticContact CG-CE2 3.82Å; H99-Y161 AromaticContact CG-CG 3.55Å; H99-Y161 AromaticContact CG-CZ 3.96Å; H99-Y161 AromaticContact ND1-CD1 3.9Å; H99-Y161 AromaticContact ND1-CG 3.97Å; H99-Y161 AromaticContact NE2-CD1 3.72Å; H99-Y161 AromaticContact NE2-CE1 3.38Å; H99-Y161 WeakPolarHBondContact NE2-CE1 3.39Å; H99-Y161 AromaticContact NE2-CZ 3.78Å; H99-C172 PolarHBondContact CE1-SG 2.97Å |
| 100 | L | 96.9 | Very high | 95.9 | Very high | 41 Ų | 41 | 30.4 Ų | 30.4 | 22% | 0.215 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.2 | -47.1 | 171.6 | 175.2 | 66.6 | 0 | 0 | 0 | 110.9 | K96 A97 Y103 L104 S154 L158 | K96-L100 VanDerWaalsContact O-CB 3.3Å; K96-L100 WeakPolarHBondContact O-CB 3.17Å; K96-L100 PolarHBondContact O-N 3.5Å; A97-L100 PolarHBondContact O-N 3.16Å; L100-Y103 PolarHBondContact O-N 3.34Å; L100-L104 VanDerWaalsContact O-CB 3.22Å; L100-L104 WeakPolarHBondContact O-CB 3.42Å; L100-L104 PolarHBondContact O-N 3.41Å; L100-S154 WeakPolarHBondContact CD1-O 3.24Å; L100-L158 HydrophobicContact CB-CD2 4.47Å; L100-L158 HydrophobicContact CD1-CG 4.17Å; L100-L158 HydrophobicContact CD2-CD1 4.15Å; L100-L158 HydrophobicContact CD2-CD2 3.86Å; L100-L158 HydrophobicContact CD2-CG 3.89Å; L100-L158 HydrophobicContact CG-CG 4.41Å |
| 101 | L | 96.9 | Very high | 95.9 | Very high | 37 Ų | 37 | 27.6 Ų | 27.6 | 19% | 0.194 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69 | -35.7 | -177.2 | -168 | 58.5 | 0 | 0 | 0 | 112.8 | C74 A97 V98 H99 L104 T105 | C74-L101 HydrophobicContact CB-CD2 3.33Å; A97-L101 VanDerWaalsContact O-CB 3.31Å; A97-L101 WeakPolarHBondContact O-CB 3.33Å; A97-L101 PolarHBondContact O-N 3.38Å; V98-L101 PolarHBondContact O-N 2.95Å; H99-L101 PolarHBondContact O-N 3.39Å; L101-L104 HydrophobicContact CD1-CD2 3.99Å; L101-L104 PolarHBondContact O-N 2.63Å; L101-T105 HydrophobicContact CD1-CG2 4.1Å; L101-T105 HydrophobicContact CG-CG2 4.38Å; L101-T105 WeakPolarHBondContact O-CB 3.4Å; L101-T105 WeakPolarHBondContact O-CG2 3.19Å; L101-T105 PolarHBondContact O-N 3.28Å; L101-T105 PolarHBondContact O-OG1 3.11Å |
| 102 | I | 96 | Very high | 95.8 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 5% | 0.046 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.4 | -53.5 | 171.3 | -70.7 | 168.7 | 0 | 0 | 0 | 110.2 | F71 C75 V98 H99 T105 M106 | F71-I102 HydrophobicContact CD2-CG1 4.47Å; F71-I102 HydrophobicContact CE2-CB 4.41Å; F71-I102 HydrophobicContact CE2-CG1 4.01Å; F71-I102 HydrophobicContact CE2-CG2 4.2Å; C75-I102 HydrophobicContact CB-CD1 4.24Å; C75-I102 HydrophobicContact CB-CG1 3.53Å; V98-I102 HydrophobicContact CG1-CD1 3.93Å; V98-I102 HydrophobicContact CG1-CG1 4.45Å; V98-I102 VanDerWaalsContact O-CG1 3.29Å; V98-I102 WeakPolarHBondContact O-CG1 3.34Å; V98-I102 PolarHBondContact O-N 3.32Å; H99-I102 WeakPolarHBondContact O-CB 3.35Å; H99-I102 PolarHBondContact O-N 3.47Å; I102-T105 PolarHBondContact O-OG1 3.16Å; I102-T105 VanDerWaalsContact O-OG1 3.09Å; I102-M106 VanDerWaalsContact O-CB 3.31Å; I102-M106 WeakPolarHBondContact O-CB 3.09Å; I102-M106 PolarHBondContact O-N 2.87Å |
| 103 | Y | 96.5 | Very high | 95.6 | Very high | 22 Ų | 22 | 24.7 Ų | 24.7 | 9% | 0.086 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.8 | -37.6 | -178.3 | -70.9 | -76.2 | 0 | 0 | 0 | 112.4 | H99 L100 T105 M106 Y107 Y157 Y161 T188 | H99-Y103 WeakPolarHBondContact O-CD2 3.45Å; H99-Y103 PolarHBondContact O-N 2.97Å; H99-Y103 VanDerWaalsContact O-N 3.13Å; L100-Y103 PolarHBondContact O-N 3.34Å; Y103-T105 PolarHBondContact O-N 2.93Å; Y103-M106 HydrophobicContact CD1-CE 3.8Å; Y103-M106 HydrophobicContact CD1-SD 4.15Å; Y103-M106 PolarHBondContact O-N 2.79Å; Y103-Y107 WeakPolarHBondContact O-CD2 3.43Å; Y103-Y107 PolarHBondContact O-N 2.92Å; Y103-Y157 HydrophobicContact CD1-CD2 4.09Å; Y103-Y157 HydrophobicContact CD1-CE1 4.09Å; Y103-Y157 AromaticContact CD1-CE2 3.49Å; Y103-Y157 HydrophobicContact CD1-CE2 3.49Å; Y103-Y157 VanDerWaalsContact CD1-CE2 3.49Å; Y103-Y157 AromaticContact CD1-CZ 3.47Å; Y103-Y157 VanDerWaalsContact CD1-CZ 3.47Å; Y103-Y157 AromaticContact CD2-CD1 3.44Å; Y103-Y157 HydrophobicContact CD2-CD1 3.44Å; Y103-Y157 VanDerWaalsContact CD2-CD1 3.44Å; Y103-Y157 AromaticContact CD2-CD2 3.6Å; Y103-Y157 HydrophobicContact CD2-CD2 3.6Å; Y103-Y157 AromaticContact CD2-CE1 3.64Å; Y103-Y157 HydrophobicContact CD2-CE1 3.64Å; Y103-Y157 AromaticContact CD2-CE2 3.8Å; Y103-Y157 HydrophobicContact CD2-CE2 3.8Å; Y103-Y157 AromaticContact CD2-CG 3.4Å; Y103-Y157 HydrophobicContact CD2-CG 3.4Å; Y103-Y157 AromaticContact CD2-CZ 3.79Å; Y103-Y157 AromaticContact CE1-CE1 3.75Å; Y103-Y157 HydrophobicContact CE1-CE1 3.75Å; Y103-Y157 AromaticContact CE1-CE2 3.93Å; Y103-Y157 HydrophobicContact CE1-CE2 3.93Å; Y103-Y157 AromaticContact CE1-CZ 3.38Å; Y103-Y157 VanDerWaalsContact CE1-OH 3.27Å; Y103-Y157 WeakPolarHBondContact CE1-OH 3.34Å; Y103-Y157 AromaticContact CE2-CD1 3.39Å; Y103-Y157 HydrophobicContact CE2-CD1 3.39Å; Y103-Y157 HydrophobicContact CE2-CD2 4.31Å; Y103-Y157 AromaticContact CE2-CE1 3.31Å; Y103-Y157 HydrophobicContact CE2-CE1 3.31Å; Y103-Y157 HydrophobicContact CE2-CE2 4.26Å; Y103-Y157 AromaticContact CE2-CG 3.9Å; Y103-Y157 HydrophobicContact CE2-CG 3.9Å; Y103-Y157 AromaticContact CE2-CZ 3.76Å; Y103-Y157 HydrophobicContact CG-CD1 4.11Å; Y103-Y157 AromaticContact CG-CD2 3.49Å; Y103-Y157 HydrophobicContact CG-CD2 3.49Å; Y103-Y157 VanDerWaalsContact CG-CD2 3.49Å; Y103-Y157 HydrophobicContact CG-CE1 4.04Å; Y103-Y157 AromaticContact CG-CE2 3.4Å; Y103-Y157 HydrophobicContact CG-CE2 3.4Å; Y103-Y157 VanDerWaalsContact CG-CE2 3.4Å; Y103-Y157 AromaticContact CG-CG 3.83Å; Y103-Y157 HydrophobicContact CG-CG 3.83Å; Y103-Y157 AromaticContact CG-CZ 3.68Å; Y103-Y157 AromaticContact CZ-CD1 3.95Å; Y103-Y157 AromaticContact CZ-CE1 3.34Å; Y103-Y157 AromaticContact CZ-CZ 3.52Å; Y103-Y161 AromaticContact CE2-CE2 3.73Å; Y103-Y161 HydrophobicContact CE2-CE2 3.73Å; Y103-Y161 PolarHBondContact OH-OH 3.42Å; Y103-T188 HydrophobicContact CD1-CG2 4.32Å; Y103-T188 HydrophobicContact CE1-CG2 4.18Å |
| 104 | L | 97.4 | Very high | 95.5 | Very high | 30 Ų | 30 | 18.6 Ų | 18.6 | 16% | 0.157 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.1 | -50.6 | 175.2 | 178 | 65.8 | 0 | 0 | 0 | 111.3 | L100 L101 Y107 A108 W147 A150 A151 | L100-L104 VanDerWaalsContact O-CB 3.22Å; L100-L104 WeakPolarHBondContact O-CB 3.42Å; L100-L104 PolarHBondContact O-N 3.41Å; L101-L104 HydrophobicContact CD1-CD2 3.99Å; L101-L104 PolarHBondContact O-N 2.63Å; L104-Y107 PolarHBondContact O-N 3.5Å; L104-A108 VanDerWaalsContact O-CB 3.31Å; L104-A108 WeakPolarHBondContact O-CB 3.24Å; L104-A108 PolarHBondContact O-N 2.84Å; L104-W147 HydrophobicContact CD1-CE3 4.33Å; L104-W147 HydrophobicContact CD1-CZ3 4.46Å; L104-W147 HydrophobicContact CD2-CZ3 4.14Å; L104-W147 HydrophobicContact CG-CE3 4.44Å; L104-W147 HydrophobicContact CG-CZ3 4.08Å; L104-A150 HydrophobicContact CD1-CB 3.86Å; L104-A151 HydrophobicContact CD1-CB 4.13Å |
| 105 | T | 95.7 | Very high | 95.3 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.018 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.9 | -36.9 | -179.7 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | A67 C70 F71 L101 I102 Y103 A108 S109 | A67-T105 WeakPolarHBondContact O-CG2 3.38Å; C70-T105 HydrophobicContact CB-CG2 4.18Å; F71-T105 HydrophobicContact CB-CG2 4.15Å; F71-T105 WeakPolarHBondContact CD2-OG1 3.2Å; L101-T105 HydrophobicContact CD1-CG2 4.1Å; L101-T105 HydrophobicContact CG-CG2 4.38Å; L101-T105 WeakPolarHBondContact O-CB 3.4Å; L101-T105 WeakPolarHBondContact O-CG2 3.19Å; L101-T105 PolarHBondContact O-N 3.28Å; L101-T105 PolarHBondContact O-OG1 3.11Å; I102-T105 PolarHBondContact O-OG1 3.16Å; I102-T105 VanDerWaalsContact O-OG1 3.09Å; Y103-T105 PolarHBondContact O-N 2.93Å; T105-A108 PolarHBondContact O-N 3.43Å; T105-S109 WeakPolarHBondContact O-CB 3.48Å; T105-S109 PolarHBondContact O-N 2.79Å; T105-S109 PolarHBondContact O-OG 3.41Å |
| 106 | M | 94.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 18 Ų | 18 | 3% | 0.034 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.5 | -52.9 | 170.8 | 175.3 | -163.5 | 80.5 | 0 | 0 | 111.5 | I102 Y103 S109 S110 T188 W248 | I102-M106 VanDerWaalsContact O-CB 3.31Å; I102-M106 WeakPolarHBondContact O-CB 3.09Å; I102-M106 PolarHBondContact O-N 2.87Å; Y103-M106 HydrophobicContact CD1-CE 3.8Å; Y103-M106 HydrophobicContact CD1-SD 4.15Å; Y103-M106 PolarHBondContact O-N 2.79Å; M106-S109 PolarHBondContact O-N 2.96Å; M106-S110 VanDerWaalsContact O-CB 3.28Å; M106-S110 WeakPolarHBondContact O-CB 3.38Å; M106-S110 PolarHBondContact O-N 2.76Å; M106-T188 HydrophobicContact CE-CG2 3.77Å; M106-W248 HydrophobicContact CB-CH2 3.83Å; M106-W248 HydrophobicContact CB-CZ2 4.09Å; M106-W248 HydrophobicContact CG-CE3 4.3Å; M106-W248 HydrophobicContact CG-CH2 3.35Å; M106-W248 HydrophobicContact CG-CZ2 3.65Å; M106-W248 HydrophobicContact CG-CZ3 3.71Å; M106-W248 HydrophobicContact SD-CE3 4.08Å; M106-W248 HydrophobicContact SD-CH2 3.57Å; M106-W248 VanDerWaalsContact SD-CH2 3.57Å; M106-W248 HydrophobicContact SD-CZ2 4.42Å; M106-W248 HydrophobicContact SD-CZ3 3.36Å; M106-W248 WeakPolarHBondContact SD-CZ3 3.5Å |
| 107 | Y | 97 | Very high | 94.4 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.1 | -41.6 | 179 | -77.4 | -61.8 | 0 | 0 | 0 | 111.8 | Y103 L104 S109 S110 F111 F153 T188 A191 | Y103-Y107 WeakPolarHBondContact O-CD2 3.43Å; Y103-Y107 PolarHBondContact O-N 2.92Å; L104-Y107 PolarHBondContact O-N 3.5Å; Y107-S109 PolarHBondContact O-N 2.84Å; Y107-S110 PolarHBondContact O-N 3.26Å; Y107-F111 HydrophobicContact CD1-CE1 4.44Å; Y107-F111 AromaticContact CD1-CE2 3.99Å; Y107-F111 HydrophobicContact CD1-CE2 3.99Å; Y107-F111 AromaticContact CD1-CZ 3.76Å; Y107-F111 HydrophobicContact CD1-CZ 3.76Å; Y107-F111 HydrophobicContact CE1-CZ 4.42Å; Y107-F111 HydrophobicContact CG-CE2 4.31Å; Y107-F111 WeakPolarHBondContact O-CB 3.43Å; Y107-F111 WeakPolarHBondContact O-CD2 3.29Å; Y107-F111 VanDerWaalsContact O-CG 3.31Å; Y107-F111 WeakPolarHBondContact O-CG 3.3Å; Y107-F111 PolarHBondContact O-N 2.88Å; Y107-F153 HydrophobicContact CD1-CB 4.13Å; Y107-F153 HydrophobicContact CD2-CB 3.83Å; Y107-F153 HydrophobicContact CE1-CB 3.9Å; Y107-F153 HydrophobicContact CE1-CG 4.37Å; Y107-F153 HydrophobicContact CE2-CB 3.62Å; Y107-F153 HydrophobicContact CG-CB 4.11Å; Y107-T188 VanDerWaalsContact OH-CA 3.29Å; Y107-T188 WeakPolarHBondContact OH-CA 3.32Å; Y107-T188 WeakPolarHBondContact OH-CB 3.36Å; Y107-T188 PolarHBondContact OH-OG1 3.47Å; Y107-A191 HydrophobicContact CE1-CB 4.16Å |
| 108 | A | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A67 L104 T105 T112 V146 W147 A150 | A67-A108 HydrophobicContact CB-CB 4.4Å; L104-A108 VanDerWaalsContact O-CB 3.31Å; L104-A108 WeakPolarHBondContact O-CB 3.24Å; L104-A108 PolarHBondContact O-N 2.84Å; T105-A108 PolarHBondContact O-N 3.43Å; A108-T112 VanDerWaalsContact O-CB 3.25Å; A108-T112 WeakPolarHBondContact O-CB 3.49Å; A108-T112 PolarHBondContact O-N 3.43Å; A108-T112 PolarHBondContact O-OG1 3.29Å; A108-V146 HydrophobicContact CB-CG1 4.39Å; A108-V146 WeakPolarHBondContact O-CG1 3.28Å; A108-W147 HydrophobicContact CB-CD2 4.5Å; A108-W147 HydrophobicContact CB-CE3 4.38Å; A108-W147 HydrophobicContact CB-CH2 4.32Å; A108-W147 HydrophobicContact CB-CZ2 4.41Å; A108-W147 HydrophobicContact CB-CZ3 4.3Å; A108-A150 HydrophobicContact CB-CB 4.07Å |
| 109 | S | 93.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 15.2 Ų | 15.2 | 3% | 0.028 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 177.2 | -68 | 0 | 0 | 0 | 0 | 111.7 | L64 D68 T105 M106 Y107 T112 L113 | L64-S109 WeakPolarHBondContact CD1-OG 3.15Å; D68-S109 PolarHBondContact OD1-OG 3.28Å; T105-S109 WeakPolarHBondContact O-CB 3.48Å; T105-S109 PolarHBondContact O-N 2.79Å; T105-S109 PolarHBondContact O-OG 3.41Å; M106-S109 PolarHBondContact O-N 2.96Å; Y107-S109 PolarHBondContact O-N 2.84Å; S109-T112 WeakPolarHBondContact O-CB 3.41Å; S109-T112 PolarHBondContact O-N 2.87Å; S109-L113 WeakPolarHBondContact O-CG 3.32Å; S109-L113 PolarHBondContact O-N 2.89Å |
| 110 | S | 94.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.9 | -49 | -179.1 | -165.9 | 0 | 0 | 0 | 0 | 113.1 | M106 Y107 T112 L113 A114 G192 P196 Y244 | M106-S110 VanDerWaalsContact O-CB 3.28Å; M106-S110 WeakPolarHBondContact O-CB 3.38Å; M106-S110 PolarHBondContact O-N 2.76Å; Y107-S110 PolarHBondContact O-N 3.26Å; S110-T112 VanDerWaalsContact C-N 3.3Å; S110-T112 PolarHBondContact O-N 3.24Å; S110-L113 PolarHBondContact O-N 3.47Å; S110-L113 VanDerWaalsContact O-N 3.16Å; S110-A114 PolarHBondContact O-N 3.49Å; S110-A114 VanDerWaalsContact O-N 3.11Å; S110-G192 WeakPolarHBondContact CB-O 3.33Å; S110-G192 PolarHBondContact OG-O 3.25Å; S110-P196 VanDerWaalsContact OG-CB 3.28Å; S110-P196 WeakPolarHBondContact OG-CB 3.16Å; S110-P196 WeakPolarHBondContact OG-CG 3.38Å; S110-Y244 VanDerWaalsContact OG-CZ 3.28Å; S110-Y244 PolarHBondContact OG-OH 2.88Å; S110-Y244 VanDerWaalsContact OG-OH 3.05Å |
| 111 | F | 95.6 | Very high | 92.3 | Very high | 19 Ų | 19 | 17.6 Ų | 17.6 | 8% | 0.083 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.5 | -30.4 | 175.9 | -62 | -30.2 | 0 | 0 | 0 | 112.4 | Y107 A114 A115 V146 L149 F153 A191 L195 | Y107-F111 HydrophobicContact CD1-CE1 4.44Å; Y107-F111 AromaticContact CD1-CE2 3.99Å; Y107-F111 HydrophobicContact CD1-CE2 3.99Å; Y107-F111 AromaticContact CD1-CZ 3.76Å; Y107-F111 HydrophobicContact CD1-CZ 3.76Å; Y107-F111 HydrophobicContact CE1-CZ 4.42Å; Y107-F111 HydrophobicContact CG-CE2 4.31Å; Y107-F111 WeakPolarHBondContact O-CB 3.43Å; Y107-F111 WeakPolarHBondContact O-CD2 3.29Å; Y107-F111 VanDerWaalsContact O-CG 3.31Å; Y107-F111 WeakPolarHBondContact O-CG 3.3Å; Y107-F111 PolarHBondContact O-N 2.88Å; F111-A114 PolarHBondContact O-N 2.95Å; F111-A115 WeakPolarHBondContact O-CB 3.36Å; F111-A115 PolarHBondContact O-N 2.89Å; F111-V146 HydrophobicContact CB-CB 4.45Å; F111-V146 HydrophobicContact CB-CG1 4.04Å; F111-V146 HydrophobicContact CB-CG2 4.01Å; F111-L149 HydrophobicContact CD2-CB 3.88Å; F111-L149 HydrophobicContact CE2-CB 3.72Å; F111-F153 AromaticContact CE2-CD2 3.92Å; F111-F153 HydrophobicContact CE2-CD2 3.92Å; F111-F153 HydrophobicContact CE2-CE2 4.46Å; F111-F153 AromaticContact CZ-CD2 3.8Å; F111-F153 HydrophobicContact CZ-CD2 3.8Å; F111-F153 HydrophobicContact CZ-CE2 4.08Å; F111-F153 HydrophobicContact CZ-CG 4.46Å; F111-A191 WeakPolarHBondContact CE1-O 3.34Å; F111-L195 HydrophobicContact CE1-CD2 4.49Å |
| 112 | T | 93.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 1% | 0.012 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.8 | -43 | 170.8 | -61.3 | 0 | 0 | 0 | 0 | 111.2 | F60 N63 A108 S109 S110 A114 A115 V116 | F60-T112 HydrophobicContact CB-CG2 4.21Å; F60-T112 HydrophobicContact CD1-CG2 4.23Å; N63-T112 PolarHBondContact ND2-OG1 2.91Å; A108-T112 VanDerWaalsContact O-CB 3.25Å; A108-T112 WeakPolarHBondContact O-CB 3.49Å; A108-T112 PolarHBondContact O-N 3.43Å; A108-T112 PolarHBondContact O-OG1 3.29Å; S109-T112 WeakPolarHBondContact O-CB 3.41Å; S109-T112 PolarHBondContact O-N 2.87Å; S110-T112 VanDerWaalsContact C-N 3.3Å; S110-T112 PolarHBondContact O-N 3.24Å; T112-A114 PolarHBondContact O-N 3.47Å; T112-A115 PolarHBondContact O-N 2.88Å; T112-V116 HydrophobicContact CG2-CG2 4.28Å; T112-V116 WeakPolarHBondContact O-CB 3.28Å; T112-V116 VanDerWaalsContact O-CG2 3.24Å; T112-V116 WeakPolarHBondContact O-CG2 3.33Å; T112-V116 PolarHBondContact O-N 3.35Å |
| 113 | L | 89.9 | Confident | 91 | Very high | 9 Ų | 9 | 18.5 Ų | 18.5 | 5% | 0.047 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.4 | -39.2 | 178 | -69.9 | 170.5 | 0 | 0 | 0 | 112.6 | S109 S110 S117 V240 Y244 | S109-L113 WeakPolarHBondContact O-CG 3.32Å; S109-L113 PolarHBondContact O-N 2.89Å; S110-L113 PolarHBondContact O-N 3.47Å; S110-L113 VanDerWaalsContact O-N 3.16Å; L113-S117 WeakPolarHBondContact O-CB 3.41Å; L113-S117 PolarHBondContact O-N 3.42Å; L113-S117 PolarHBondContact O-OG 3.35Å; L113-V240 HydrophobicContact CD2-CB 4.25Å; L113-V240 HydrophobicContact CD2-CG1 3.45Å; L113-V240 VanDerWaalsContact CD2-CG1 3.45Å; L113-Y244 HydrophobicContact CD1-CD1 4.16Å; L113-Y244 HydrophobicContact CD1-CD2 3.64Å; L113-Y244 HydrophobicContact CD1-CG 3.43Å; L113-Y244 VanDerWaalsContact CD1-CG 3.43Å |
| 114 | A | 93.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 19 Ų | 19 | 12% | 0.116 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | S110 F111 T112 V116 S117 V118 P196 V199 | S110-A114 PolarHBondContact O-N 3.49Å; S110-A114 VanDerWaalsContact O-N 3.11Å; F111-A114 PolarHBondContact O-N 2.95Å; T112-A114 PolarHBondContact O-N 3.47Å; A114-V116 PolarHBondContact O-N 3.16Å; A114-S117 WeakPolarHBondContact O-CB 3.32Å; A114-S117 PolarHBondContact O-N 2.87Å; A114-S117 VanDerWaalsContact O-N 3.15Å; A114-V118 WeakPolarHBondContact O-CG2 3.47Å; A114-V118 PolarHBondContact O-N 2.93Å; A114-P196 HydrophobicContact CB-CB 4.26Å; A114-V199 HydrophobicContact CB-CB 4.25Å; A114-V199 HydrophobicContact CB-CG1 3.98Å |
| 115 | A | 91.9 | Very high | 89.3 | Confident | 25 Ų | 25 | 22.8 Ų | 22.8 | 21% | 0.207 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F60 F111 T112 S117 V118 D119 | F60-A115 HydrophobicContact CE1-CB 4.08Å; F60-A115 HydrophobicContact CZ-CB 4.36Å; F111-A115 WeakPolarHBondContact O-CB 3.36Å; F111-A115 PolarHBondContact O-N 2.89Å; T112-A115 PolarHBondContact O-N 2.88Å; A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 3.31Å; A115-V118 PolarHBondContact O-N 3.2Å; A115-D119 WeakPolarHBondContact O-CB 3.3Å; A115-D119 PolarHBondContact O-N 3.46Å |
| 116 | V | 87.8 | Confident | 88.6 | Confident | 8 Ų | 8 | 25.6 Ų | 25.6 | 5% | 0.048 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.9 | 169 | 0 | 0 | 0 | 0 | 111.2 | F60 T112 A114 V118 D119 R120 M237 | F60-V116 HydrophobicContact CB-CG2 3.39Å; F60-V116 HydrophobicContact CD1-CG2 4.25Å; F60-V116 HydrophobicContact CD2-CG2 3.86Å; F60-V116 HydrophobicContact CG-CG2 3.6Å; T112-V116 HydrophobicContact CG2-CG2 4.28Å; T112-V116 WeakPolarHBondContact O-CB 3.28Å; T112-V116 VanDerWaalsContact O-CG2 3.24Å; T112-V116 WeakPolarHBondContact O-CG2 3.33Å; T112-V116 PolarHBondContact O-N 3.35Å; A114-V116 PolarHBondContact O-N 3.16Å; V116-V118 VanDerWaalsContact C-N 3.34Å; V116-V118 PolarHBondContact O-N 2.83Å; V116-D119 WeakPolarHBondContact O-CB 3.26Å; V116-D119 PolarHBondContact O-N 2.7Å; V116-R120 HydrophobicContact CG1-CG 4.42Å; V116-R120 WeakPolarHBondContact O-CB 3.31Å; V116-R120 WeakPolarHBondContact O-CG 3.32Å; V116-R120 PolarHBondContact O-N 3.31Å; V116-M237 HydrophobicContact CG1-CB 3.91Å; V116-M237 HydrophobicContact CG1-CG 3.64Å; V116-M237 HydrophobicContact CG1-SD 3.65Å |
| 117 | S | 87.7 | Confident | 87.9 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 179.1 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | L113 A114 A115 R120 Y121 V200 Y204 | L113-S117 WeakPolarHBondContact O-CB 3.41Å; L113-S117 PolarHBondContact O-N 3.42Å; L113-S117 PolarHBondContact O-OG 3.35Å; A114-S117 WeakPolarHBondContact O-CB 3.32Å; A114-S117 PolarHBondContact O-N 2.87Å; A114-S117 VanDerWaalsContact O-N 3.15Å; A115-S117 VanDerWaalsContact C-N 3.33Å; A115-S117 PolarHBondContact O-N 3.31Å; S117-R120 PolarHBondContact O-N 2.9Å; S117-Y121 WeakPolarHBondContact O-CB 3.48Å; S117-Y121 PolarHBondContact O-N 2.92Å; S117-V200 WeakPolarHBondContact OG-CG2 3.08Å; S117-Y204 WeakPolarHBondContact OG-CE2 3.47Å |
| 118 | V | 89.1 | Confident | 87 | Confident | 62 Ų | 62 | 36.3 Ų | 36.3 | 38% | 0.376 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.3 | -45.7 | 173.2 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | A114 A115 V116 R120 Y121 L122 V199 | A114-V118 WeakPolarHBondContact O-CG2 3.47Å; A114-V118 PolarHBondContact O-N 2.93Å; A115-V118 PolarHBondContact O-N 3.2Å; V116-V118 VanDerWaalsContact C-N 3.34Å; V116-V118 PolarHBondContact O-N 2.83Å; V118-R120 PolarHBondContact O-N 2.8Å; V118-Y121 PolarHBondContact O-N 3Å; V118-Y121 VanDerWaalsContact O-N 3.17Å; V118-L122 HydrophobicContact CG1-CD1 4.08Å; V118-L122 HydrophobicContact CG1-CG 4.35Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 3.46Å; V118-V199 HydrophobicContact CG2-CG1 3.72Å |
| 119 | D | 85.6 | Confident | 86.4 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 7% | 0.07 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.9 | -45.1 | 174.2 | 173.5 | 78.5 | 0 | 0 | 0 | 111.2 | T57 F60 A115 V116 L122 A123 R134 | T57-D119 PolarHBondContact OG1-OD2 2.9Å; F60-D119 HydrophobicContact CE2-CB 4.28Å; A115-D119 WeakPolarHBondContact O-CB 3.3Å; A115-D119 PolarHBondContact O-N 3.46Å; V116-D119 WeakPolarHBondContact O-CB 3.26Å; V116-D119 PolarHBondContact O-N 2.7Å; D119-L122 PolarHBondContact O-N 2.85Å; D119-A123 WeakPolarHBondContact O-CB 3.46Å; D119-A123 PolarHBondContact O-N 3.36Å; D119-R134 WeakPolarHBondContact OD1-CD 3.3Å; D119-R134 WeakPolarHBondContact OD1-CG 3.36Å; D119-R134 IonicContact OD1-CZ 3.16Å; D119-R134 IonicContact OD1-NE 2.93Å; D119-R134 PolarHBondContact OD1-NE 2.84Å; D119-R134 IonicContact OD1-NH2 3.87Å; D119-R134 PolarHBondContact OD1-NH2 2.8Å; D119-R134 IonicContact OD2-CZ 3.57Å; D119-R134 IonicContact OD2-NE 2.72Å; D119-R134 PolarHBondContact OD2-NE 3.3Å; D119-R134 IonicContact OD2-NH2 3.5Å; D119-R134 PolarHBondContact OD2-NH2 2.94Å |
| 120 | R | 82.3 | Confident | 85.9 | Confident | 44 Ų | 44 | 45 Ų | 45 | 17% | 0.166 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.6 | -43.2 | 178.4 | -70.2 | -63.1 | 117.4 | 176.8 | 26 | 112.5 | T57 V116 S117 V118 L122 A123 V124 | T57-R120 PolarHBondContact OG1-NH2 2.63Å; V116-R120 HydrophobicContact CG1-CG 4.42Å; V116-R120 WeakPolarHBondContact O-CB 3.31Å; V116-R120 WeakPolarHBondContact O-CG 3.32Å; V116-R120 PolarHBondContact O-N 3.31Å; S117-R120 PolarHBondContact O-N 2.9Å; V118-R120 PolarHBondContact O-N 2.8Å; R120-L122 VanDerWaalsContact C-N 3.35Å; R120-A123 PolarHBondContact O-N 3.41Å; R120-V124 WeakPolarHBondContact O-CG2 3.48Å; R120-V124 PolarHBondContact O-N 2.85Å; R120-V124 VanDerWaalsContact O-N 3.15Å |
| 121 | Y | 84.2 | Confident | 85.2 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 175.8 | 168.7 | -106.5 | 0 | 0 | 0 | 111.5 | S117 V118 A123 V124 R125 R206 | S117-Y121 WeakPolarHBondContact O-CB 3.48Å; S117-Y121 PolarHBondContact O-N 2.92Å; V118-Y121 PolarHBondContact O-N 3Å; V118-Y121 VanDerWaalsContact O-N 3.17Å; Y121-A123 PolarHBondContact O-N 2.99Å; Y121-V124 PolarHBondContact O-N 2.86Å; Y121-R125 HydrophobicContact CD2-CB 4.38Å; Y121-R125 HydrophobicContact CE2-CB 3.92Å; Y121-R125 HydrophobicContact CE2-CG 4.21Å; Y121-R125 WeakPolarHBondContact O-CB 3.38Å; Y121-R125 PolarHBondContact O-N 3.05Å; Y121-R206 HydrophobicContact CD2-CB 4.14Å; Y121-R206 HydrophobicContact CE2-CB 3.63Å |
| 122 | L | 84.6 | Confident | 84.7 | Confident | 40 Ų | 40 | 58 Ų | 58 | 21% | 0.209 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 177.3 | -69 | 174.8 | 0 | 0 | 0 | 111.9 | V118 D119 R120 V124 H126 L133 | V118-L122 HydrophobicContact CG1-CD1 4.08Å; V118-L122 HydrophobicContact CG1-CG 4.35Å; V118-L122 WeakPolarHBondContact O-CG 3.48Å; V118-L122 PolarHBondContact O-N 3.46Å; D119-L122 PolarHBondContact O-N 2.85Å; R120-L122 VanDerWaalsContact C-N 3.35Å; L122-V124 VanDerWaalsContact C-N 3.28Å; L122-V124 PolarHBondContact O-N 2.86Å; L122-H126 CarbonylContact O-C 3.55Å; L122-H126 VanDerWaalsContact O-C 3.28Å; L122-H126 WeakPolarHBondContact O-CA 3.43Å; L122-H126 PolarHBondContact O-N 3.47Å; L122-L133 HydrophobicContact CD1-CD1 4.08Å |
| 123 | A | 80.7 | Confident | 84.2 | Confident | 25 Ų | 25 | 61.9 Ų | 61.9 | 21% | 0.207 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.5 | -35.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D119 R120 Y121 S130 | D119-A123 WeakPolarHBondContact O-CB 3.46Å; D119-A123 PolarHBondContact O-N 3.36Å; R120-A123 PolarHBondContact O-N 3.41Å; Y121-A123 PolarHBondContact O-N 2.99Å; A123-S130 WeakPolarHBondContact CA-OG 3.4Å |
| 124 | V | 77.9 | Confident | 83.9 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 20% | 0.2 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -86.4 | -44 | -179 | 179.3 | 0 | 0 | 0 | 0 | 112.1 | R120 Y121 L122 T207 F210 L211 A229 | R120-V124 WeakPolarHBondContact O-CG2 3.48Å; R120-V124 PolarHBondContact O-N 2.85Å; R120-V124 VanDerWaalsContact O-N 3.15Å; Y121-V124 PolarHBondContact O-N 2.86Å; L122-V124 VanDerWaalsContact C-N 3.28Å; L122-V124 PolarHBondContact O-N 2.86Å; V124-T207 HydrophobicContact CB-CG2 4.1Å; V124-T207 HydrophobicContact CG1-CG2 3.9Å; V124-T207 HydrophobicContact CG2-CG2 4.14Å; V124-F210 HydrophobicContact CG1-CD1 4.24Å; V124-F210 HydrophobicContact CG1-CE1 4.49Å; V124-L211 HydrophobicContact CG1-CD2 4.2Å; V124-L211 HydrophobicContact CG1-CG 4.49Å; V124-A229 HydrophobicContact CG1-CB 4.36Å; V124-A229 WeakPolarHBondContact CG2-O 3.17Å |
| 125 | R | 80.3 | Confident | 83.5 | Confident | 109 Ų | 109 | 65.5 Ų | 65.5 | 41% | 0.411 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -88 | -31.1 | -171.6 | -173.2 | 53.2 | 176.4 | 141.3 | -5.2 | 113.8 | Y121 F210 | Y121-R125 HydrophobicContact CD2-CB 4.38Å; Y121-R125 HydrophobicContact CE2-CB 3.92Å; Y121-R125 HydrophobicContact CE2-CG 4.21Å; Y121-R125 WeakPolarHBondContact O-CB 3.38Å; Y121-R125 PolarHBondContact O-N 3.05Å; R125-F210 VanDerWaalsContact CZ-CD2 3.48Å; R125-F210 VanDerWaalsContact NH1-CD2 3.28Å |
| 126 | H | 81.7 | Confident | 83.2 | Confident | 62 Ų | 62 | 67.2 Ų | 67.2 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | trans | -132 | 67 | -173.7 | -60.6 | -64.8 | 0 | 0 | 0 | 111.2 | L122 L128 R129 S130 | L122-H126 CarbonylContact O-C 3.55Å; L122-H126 VanDerWaalsContact O-C 3.28Å; L122-H126 WeakPolarHBondContact O-CA 3.43Å; L122-H126 PolarHBondContact O-N 3.47Å; H126-L128 VanDerWaalsContact C-N 3.3Å; H126-L128 PolarHBondContact O-N 2.91Å; H126-R129 HydrophobicContact CB-CB 4.09Å; H126-R129 PolarHBondContact O-N 3.4Å; H126-R129 VanDerWaalsContact O-N 3.16Å; H126-S130 VanDerWaalsContact O-CB 3.27Å; H126-S130 WeakPolarHBondContact O-CB 3.5Å; H126-S130 PolarHBondContact O-N 2.91Å | ||
| 127 | P | 78.2 | Confident | 83.2 | Confident | 84 Ų | 84 | 76.1 Ų | 76.1 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57 | -38.6 | -172 | 21 | -32.9 | 0 | 0 | 0 | 113.7 | S130 R131 | P127-S130 WeakPolarHBondContact O-CB 3.35Å; P127-S130 PolarHBondContact O-N 3.4Å; P127-R131 PolarHBondContact O-N 3.22Å |
| 128 | L | 80.1 | Confident | 83.3 | Confident | 151 Ų | 151 | 79.3 Ų | 79.3 | 79% | 0.791 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.1 | -46.4 | 177.8 | -62.6 | 176.9 | 0 | 0 | 0 | 112.4 | H126 R131 A132 | H126-L128 VanDerWaalsContact C-N 3.3Å; H126-L128 PolarHBondContact O-N 2.91Å; L128-R131 PolarHBondContact O-N 3.38Å; L128-A132 PolarHBondContact O-N 2.94Å |
| 129 | R | 83.1 | Confident | 83.3 | Confident | 174 Ų | 174 | 76.5 Ų | 76.5 | 66% | 0.657 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.9 | -38.7 | 174.7 | -69.2 | -174.2 | 178 | 177.3 | -1.1 | 111.6 | H126 R131 A132 L133 | H126-R129 HydrophobicContact CB-CB 4.09Å; H126-R129 PolarHBondContact O-N 3.4Å; H126-R129 VanDerWaalsContact O-N 3.16Å; R129-R131 VanDerWaalsContact C-N 3.29Å; R129-R131 PolarHBondContact O-N 3.34Å; R129-A132 PolarHBondContact O-N 3.28Å; R129-A132 VanDerWaalsContact O-N 3.11Å; R129-L133 HydrophobicContact CB-CD1 4.43Å; R129-L133 WeakPolarHBondContact O-CB 3.31Å; R129-L133 WeakPolarHBondContact O-CG 3.28Å; R129-L133 PolarHBondContact O-N 3.5Å |
| 130 | S | 83 | Confident | 83.5 | Confident | 12 Ų | 12 | 83.4 Ų | 83.4 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57 | -42.9 | 174.5 | 159.4 | 0 | 0 | 0 | 0 | 111.3 | A123 H126 P127 A132 L133 R134 | A123-S130 WeakPolarHBondContact CA-OG 3.4Å; H126-S130 VanDerWaalsContact O-CB 3.27Å; H126-S130 WeakPolarHBondContact O-CB 3.5Å; H126-S130 PolarHBondContact O-N 2.91Å; P127-S130 WeakPolarHBondContact O-CB 3.35Å; P127-S130 PolarHBondContact O-N 3.4Å; S130-A132 VanDerWaalsContact C-N 3.27Å; S130-A132 PolarHBondContact O-N 3.3Å; S130-L133 PolarHBondContact O-N 2.9Å; S130-R134 VanDerWaalsContact O-CB 3.24Å; S130-R134 WeakPolarHBondContact O-CB 3.27Å; S130-R134 VanDerWaalsContact O-CG 3.24Å; S130-R134 WeakPolarHBondContact O-CG 3.28Å; S130-R134 PolarHBondContact O-N 3.48Å; S130-R134 WeakPolarHBondContact OG-CD 3.42Å |
| 131 | R | 79.4 | Confident | 84.1 | Confident | 220 Ų | 220 | 84.4 Ų | 84.4 | 83% | 0.83 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.9 | -36.6 | 176.7 | -168.9 | 175.9 | 177.1 | -179.8 | -1.5 | 112.4 | P127 L128 R129 | P127-R131 PolarHBondContact O-N 3.22Å; L128-R131 PolarHBondContact O-N 3.38Å; R129-R131 VanDerWaalsContact C-N 3.29Å; R129-R131 PolarHBondContact O-N 3.34Å |
| 132 | A | 84 | Confident | 84.5 | Confident | 71 Ų | 71 | 83.2 Ų | 83.2 | 59% | 0.587 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -76.6 | -34.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L128 R129 S130 T135 | L128-A132 PolarHBondContact O-N 2.94Å; R129-A132 PolarHBondContact O-N 3.28Å; R129-A132 VanDerWaalsContact O-N 3.11Å; S130-A132 VanDerWaalsContact C-N 3.27Å; S130-A132 PolarHBondContact O-N 3.3Å; A132-T135 WeakPolarHBondContact O-CG2 3.4Å |
| 133 | L | 83.1 | Confident | 85 | Confident | 84 Ų | 84 | 82.6 Ų | 82.6 | 44% | 0.44 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -87.6 | -32.7 | -174 | -70.3 | 172.9 | 0 | 0 | 0 | 113.9 | L122 R129 S130 T135 N138 | L122-L133 HydrophobicContact CD1-CD1 4.08Å; R129-L133 HydrophobicContact CB-CD1 4.43Å; R129-L133 WeakPolarHBondContact O-CB 3.31Å; R129-L133 WeakPolarHBondContact O-CG 3.28Å; R129-L133 PolarHBondContact O-N 3.5Å; S130-L133 PolarHBondContact O-N 2.9Å; L133-T135 PolarHBondContact O-N 2.94Å; L133-N138 VanDerWaalsContact O-CB 3.26Å; L133-N138 WeakPolarHBondContact O-CB 3.4Å; L133-N138 PolarHBondContact O-ND2 3.49Å |
| 134 | R | 83.8 | Confident | 85.7 | Confident | 51 Ų | 51 | 83.4 Ų | 83.4 | 19% | 0.192 | 42% | 0.421 | C | S | . | . | trans | -82.2 | 52.3 | -175.2 | -62.2 | -177.6 | 82.2 | -143.4 | -1.7 | 112.1 | T56 T57 D119 S130 | T56-R134 PolarHBondContact OG1-O 2.91Å; T56-R134 VanDerWaalsContact OG1-O 3.1Å; T57-R134 PolarHBondContact OG1-NH2 2.93Å; D119-R134 WeakPolarHBondContact OD1-CD 3.3Å; D119-R134 WeakPolarHBondContact OD1-CG 3.36Å; D119-R134 IonicContact OD1-CZ 3.16Å; D119-R134 IonicContact OD1-NE 2.93Å; D119-R134 PolarHBondContact OD1-NE 2.84Å; D119-R134 IonicContact OD1-NH2 3.87Å; D119-R134 PolarHBondContact OD1-NH2 2.8Å; D119-R134 IonicContact OD2-CZ 3.57Å; D119-R134 IonicContact OD2-NE 2.72Å; D119-R134 PolarHBondContact OD2-NE 3.3Å; D119-R134 IonicContact OD2-NH2 3.5Å; D119-R134 PolarHBondContact OD2-NH2 2.94Å; S130-R134 VanDerWaalsContact O-CB 3.24Å; S130-R134 WeakPolarHBondContact O-CB 3.27Å; S130-R134 VanDerWaalsContact O-CG 3.24Å; S130-R134 WeakPolarHBondContact O-CG 3.28Å; S130-R134 PolarHBondContact O-N 3.48Å; S130-R134 WeakPolarHBondContact OG-CD 3.42Å | ||
| 135 | T | 85.8 | Confident | 86.6 | Confident | 48 Ų | 48 | 86.3 Ų | 86.3 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | trans | -93.8 | 152.8 | 174.2 | 70 | 0 | 0 | 0 | 0 | 110.9 | A132 L133 R137 N138 A139 | A132-T135 WeakPolarHBondContact O-CG2 3.4Å; L133-T135 PolarHBondContact O-N 2.94Å; T135-R137 PolarHBondContact O-N 3.36Å; T135-N138 PolarHBondContact O-N 3.06Å; T135-N138 VanDerWaalsContact OG1-CG 3.26Å; T135-N138 PolarHBondContact OG1-N 3.05Å; T135-N138 PolarHBondContact OG1-ND2 3.45Å; T135-A139 WeakPolarHBondContact O-CB 3.05Å; T135-A139 PolarHBondContact O-N 3.35Å | ||
| 136 | P | 84.2 | Confident | 87.4 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 40% | 0.403 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.3 | -24.4 | 175 | -24.6 | 33.4 | 0 | 0 | 0 | 114.4 | R140 | P136-R140 WeakPolarHBondContact O-CB 3.39Å; P136-R140 WeakPolarHBondContact O-CG 3.46Å; P136-R140 PolarHBondContact O-N 3.06Å; P136-R140 VanDerWaalsContact O-N 3.13Å; P136-R140 PolarHBondContact O-NE 2.83Å |
| 137 | R | 88.6 | Confident | 88.2 | Confident | 194 Ų | 194 | 82 Ų | 82 | 73% | 0.732 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.2 | -50.9 | 175 | -70 | -176.2 | -177.3 | 172 | 0.3 | 110.4 | T135 A139 R140 A141 | T135-R137 PolarHBondContact O-N 3.36Å; R137-A139 VanDerWaalsContact C-N 3.3Å; R137-A139 PolarHBondContact O-N 3.31Å; R137-R140 PolarHBondContact O-N 2.97Å; R137-A141 PolarHBondContact O-N 2.89Å |
| 138 | N | 89.9 | Confident | 89.1 | Confident | 71 Ų | 71 | 83.5 Ų | 83.5 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 178.2 | -65.1 | -4.1 | 0 | 0 | 0 | 111.6 | L133 T135 A141 A142 | L133-N138 VanDerWaalsContact O-CB 3.26Å; L133-N138 WeakPolarHBondContact O-CB 3.4Å; L133-N138 PolarHBondContact O-ND2 3.49Å; T135-N138 PolarHBondContact O-N 3.06Å; T135-N138 VanDerWaalsContact OG1-CG 3.26Å; T135-N138 PolarHBondContact OG1-N 3.05Å; T135-N138 PolarHBondContact OG1-ND2 3.45Å; N138-A141 PolarHBondContact O-N 3.49Å; N138-A142 WeakPolarHBondContact O-CB 3.46Å; N138-A142 PolarHBondContact O-N 3.36Å |
| 139 | A | 88.9 | Confident | 89.9 | Confident | 3 Ų | 3 | 79.1 Ų | 79.1 | 3% | 0.025 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | T56 L59 T135 R137 A142 V143 | T56-A139 HydrophobicContact CG2-CB 3.58Å; L59-A139 HydrophobicContact CD1-CB 3.64Å; T135-A139 WeakPolarHBondContact O-CB 3.05Å; T135-A139 PolarHBondContact O-N 3.35Å; R137-A139 VanDerWaalsContact C-N 3.3Å; R137-A139 PolarHBondContact O-N 3.31Å; A139-A142 PolarHBondContact O-N 3.13Å; A139-V143 WeakPolarHBondContact O-CG2 3.34Å; A139-V143 PolarHBondContact O-N 3.37Å |
| 140 | R | 90.3 | Very high | 90.7 | Very high | 158 Ų | 158 | 70.8 Ų | 70.8 | 60% | 0.596 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.8 | -40.1 | 175.8 | -76.8 | -176.8 | -69.1 | 162.6 | -3.6 | 112.3 | L59 P136 R137 A142 V143 G144 | L59-R140 HydrophobicContact CD1-CG 4.4Å; P136-R140 WeakPolarHBondContact O-CB 3.39Å; P136-R140 WeakPolarHBondContact O-CG 3.46Å; P136-R140 PolarHBondContact O-N 3.06Å; P136-R140 VanDerWaalsContact O-N 3.13Å; P136-R140 PolarHBondContact O-NE 2.83Å; R137-R140 PolarHBondContact O-N 2.97Å; R140-A142 VanDerWaalsContact C-N 3.34Å; R140-V143 PolarHBondContact O-N 3.24Å; R140-G144 PolarHBondContact O-N 2.89Å |
| 141 | A | 93.5 | Very high | 91.4 | Very high | 65 Ų | 65 | 72.5 Ų | 72.5 | 54% | 0.537 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R137 N138 G144 L145 | R137-A141 PolarHBondContact O-N 2.89Å; N138-A141 PolarHBondContact O-N 3.49Å; A141-G144 PolarHBondContact O-N 3.31Å; A141-L145 WeakPolarHBondContact O-CB 3.35Å; A141-L145 PolarHBondContact O-N 2.71Å |
| 142 | A | 93.5 | Very high | 92.2 | Very high | 30 Ų | 30 | 67.4 Ų | 67.4 | 25% | 0.248 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | F60 N138 A139 R140 L145 V146 | F60-A142 HydrophobicContact CE1-CB 4.2Å; F60-A142 HydrophobicContact CZ-CB 4.15Å; N138-A142 WeakPolarHBondContact O-CB 3.46Å; N138-A142 PolarHBondContact O-N 3.36Å; A139-A142 PolarHBondContact O-N 3.13Å; R140-A142 VanDerWaalsContact C-N 3.34Å; A142-L145 PolarHBondContact O-N 2.95Å; A142-V146 WeakPolarHBondContact O-CG2 3.27Å; A142-V146 PolarHBondContact O-N 2.99Å |
| 143 | V | 94.4 | Very high | 92.9 | Very high | 27 Ų | 27 | 67.7 Ų | 67.7 | 16% | 0.164 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 173.5 | 170.1 | 0 | 0 | 0 | 0 | 111 | F60 N63 A139 R140 L145 V146 W147 | F60-V143 HydrophobicContact CD1-CG2 4.07Å; F60-V143 HydrophobicContact CE1-CG2 4.1Å; N63-V143 HydrophobicContact CB-CG1 4.39Å; N63-V143 HydrophobicContact CB-CG2 4.24Å; N63-V143 WeakPolarHBondContact OD1-CG1 3.12Å; A139-V143 WeakPolarHBondContact O-CG2 3.34Å; A139-V143 PolarHBondContact O-N 3.37Å; R140-V143 PolarHBondContact O-N 3.24Å; V143-L145 VanDerWaalsContact C-N 3.31Å; V143-L145 PolarHBondContact O-N 3.49Å; V143-V146 WeakPolarHBondContact O-CB 3.41Å; V143-V146 PolarHBondContact O-N 3.25Å; V143-V146 VanDerWaalsContact O-N 3.15Å; V143-W147 VanDerWaalsContact O-CD1 3.22Å; V143-W147 PolarHBondContact O-N 2.83Å |
| 144 | G | 96 | Very high | 93.5 | Very high | 42 Ų | 42 | 63.8 Ų | 63.8 | 43% | 0.433 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R140 A141 W147 L148 | R140-G144 PolarHBondContact O-N 2.89Å; A141-G144 PolarHBondContact O-N 3.31Å; G144-W147 PolarHBondContact O-N 3.18Å; G144-L148 WeakPolarHBondContact O-CB 3.49Å; G144-L148 PolarHBondContact O-N 3.09Å |
| 145 | L | 96.7 | Very high | 94.1 | Very high | 95 Ų | 95 | 63.6 Ų | 63.6 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 174.5 | 179.4 | 62.1 | 0 | 0 | 0 | 112 | A141 A142 V143 W147 L148 L149 | A141-L145 WeakPolarHBondContact O-CB 3.35Å; A141-L145 PolarHBondContact O-N 2.71Å; A142-L145 PolarHBondContact O-N 2.95Å; V143-L145 VanDerWaalsContact C-N 3.31Å; V143-L145 PolarHBondContact O-N 3.49Å; L145-W147 PolarHBondContact O-N 2.95Å; L145-L148 PolarHBondContact O-N 3.45Å; L145-L149 HydrophobicContact CD1-CD1 4.09Å; L145-L149 HydrophobicContact CD1-CG 4.05Å; L145-L149 HydrophobicContact CG-CD1 4.01Å; L145-L149 HydrophobicContact CG-CG 4.38Å; L145-L149 WeakPolarHBondContact O-CB 3.48Å; L145-L149 VanDerWaalsContact O-CG 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.26Å; L145-L149 PolarHBondContact O-N 3.17Å |
| 146 | V | 97.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.055 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.4 | -48 | 175.4 | 161.6 | 0 | 0 | 0 | 0 | 111 | A108 F111 A142 V143 L149 A150 | A108-V146 HydrophobicContact CB-CG1 4.39Å; A108-V146 WeakPolarHBondContact O-CG1 3.28Å; F111-V146 HydrophobicContact CB-CB 4.45Å; F111-V146 HydrophobicContact CB-CG1 4.04Å; F111-V146 HydrophobicContact CB-CG2 4.01Å; A142-V146 WeakPolarHBondContact O-CG2 3.27Å; A142-V146 PolarHBondContact O-N 2.99Å; V143-V146 WeakPolarHBondContact O-CB 3.41Å; V143-V146 PolarHBondContact O-N 3.25Å; V143-V146 VanDerWaalsContact O-N 3.15Å; V146-L149 PolarHBondContact O-N 2.91Å; V146-A150 VanDerWaalsContact O-CB 3.22Å; V146-A150 WeakPolarHBondContact O-CB 3.46Å; V146-A150 PolarHBondContact O-N 2.94Å |
| 147 | W | 97.8 | Very high | 95.2 | Very high | 70 Ų | 70 | 60.4 Ų | 60.4 | 27% | 0.265 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 178.9 | -77.8 | 100.4 | 0 | 0 | 0 | 112.6 | N63 A67 L104 A108 V143 G144 L145 A150 A151 | N63-W147 PolarHBondContact OD1-NE1 3.3Å; A67-W147 HydrophobicContact CB-CH2 4.39Å; A67-W147 HydrophobicContact CB-CZ2 4.33Å; L104-W147 HydrophobicContact CD1-CE3 4.33Å; L104-W147 HydrophobicContact CD1-CZ3 4.46Å; L104-W147 HydrophobicContact CD2-CZ3 4.14Å; L104-W147 HydrophobicContact CG-CE3 4.44Å; L104-W147 HydrophobicContact CG-CZ3 4.08Å; A108-W147 HydrophobicContact CB-CD2 4.5Å; A108-W147 HydrophobicContact CB-CE3 4.38Å; A108-W147 HydrophobicContact CB-CH2 4.32Å; A108-W147 HydrophobicContact CB-CZ2 4.41Å; A108-W147 HydrophobicContact CB-CZ3 4.3Å; V143-W147 VanDerWaalsContact O-CD1 3.22Å; V143-W147 PolarHBondContact O-N 2.83Å; G144-W147 PolarHBondContact O-N 3.18Å; L145-W147 PolarHBondContact O-N 2.95Å; W147-A150 PolarHBondContact O-N 3.42Å; W147-A151 WeakPolarHBondContact O-CB 3.38Å; W147-A151 PolarHBondContact O-N 3.42Å |
| 148 | L | 98.1 | Very high | 95.4 | Very high | 116 Ų | 116 | 55.2 Ų | 55.2 | 61% | 0.607 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -60.2 | -49.2 | 175.1 | 176.9 | 64 | 0 | 0 | 0 | 111.3 | G144 L145 A151 L152 | G144-L148 WeakPolarHBondContact O-CB 3.49Å; G144-L148 PolarHBondContact O-N 3.09Å; L145-L148 PolarHBondContact O-N 3.45Å; L148-A151 PolarHBondContact O-N 3.39Å; L148-L152 WeakPolarHBondContact O-CB 3.42Å; L148-L152 PolarHBondContact O-N 3.4Å |
| 149 | L | 97.8 | Very high | 95.6 | Very high | 59 Ų | 59 | 55.3 Ų | 55.3 | 31% | 0.309 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 177 | -68.1 | 174.3 | 0 | 0 | 0 | 110.8 | F111 L145 V146 A151 L152 F153 | F111-L149 HydrophobicContact CD2-CB 3.88Å; F111-L149 HydrophobicContact CE2-CB 3.72Å; L145-L149 HydrophobicContact CD1-CD1 4.09Å; L145-L149 HydrophobicContact CD1-CG 4.05Å; L145-L149 HydrophobicContact CG-CD1 4.01Å; L145-L149 HydrophobicContact CG-CG 4.38Å; L145-L149 WeakPolarHBondContact O-CB 3.48Å; L145-L149 VanDerWaalsContact O-CG 3.31Å; L145-L149 WeakPolarHBondContact O-CG 3.26Å; L145-L149 PolarHBondContact O-N 3.17Å; V146-L149 PolarHBondContact O-N 2.91Å; L149-A151 VanDerWaalsContact C-N 3.31Å; L149-A151 PolarHBondContact O-N 3.22Å; L149-L152 WeakPolarHBondContact O-CB 3.3Å; L149-L152 PolarHBondContact O-N 3.05Å; L149-F153 HydrophobicContact CB-CD2 4.5Å; L149-F153 HydrophobicContact CD2-CE2 4.49Å; L149-F153 VanDerWaalsContact O-CD2 3.24Å; L149-F153 WeakPolarHBondContact O-CD2 3.44Å; L149-F153 PolarHBondContact O-N 3.17Å |
| 150 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L104 A108 V146 W147 S154 | L104-A150 HydrophobicContact CD1-CB 3.86Å; A108-A150 HydrophobicContact CB-CB 4.07Å; V146-A150 VanDerWaalsContact O-CB 3.22Å; V146-A150 WeakPolarHBondContact O-CB 3.46Å; V146-A150 PolarHBondContact O-N 2.94Å; W147-A150 PolarHBondContact O-N 3.42Å; A150-S154 WeakPolarHBondContact O-CB 3.49Å; A150-S154 PolarHBondContact O-N 2.87Å; A150-S154 PolarHBondContact O-OG 2.98Å |
| 151 | A | 97.8 | Very high | 96.1 | Very high | 47 Ų | 47 | 49.1 Ų | 49.1 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L104 W147 L148 L149 S154 A155 | L104-A151 HydrophobicContact CD1-CB 4.13Å; W147-A151 WeakPolarHBondContact O-CB 3.38Å; W147-A151 PolarHBondContact O-N 3.42Å; L148-A151 PolarHBondContact O-N 3.39Å; L149-A151 VanDerWaalsContact C-N 3.31Å; L149-A151 PolarHBondContact O-N 3.22Å; A151-S154 WeakPolarHBondContact CA-OG 3.17Å; A151-S154 PolarHBondContact O-N 2.92Å; A151-S154 PolarHBondContact O-OG 3.04Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 3.46Å |
| 152 | L | 97.5 | Very high | 96.2 | Very high | 114 Ų | 114 | 46.5 Ų | 46.5 | 60% | 0.597 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -59 | -50.1 | 177.5 | 178.2 | 64.2 | 0 | 0 | 0 | 112 | L148 L149 | L148-L152 WeakPolarHBondContact O-CB 3.42Å; L148-L152 PolarHBondContact O-N 3.4Å; L149-L152 WeakPolarHBondContact O-CB 3.3Å; L149-L152 PolarHBondContact O-N 3.05Å |
| 153 | F | 97.4 | Very high | 96.3 | Very high | 77 Ų | 77 | 47.1 Ų | 47.1 | 34% | 0.338 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -74 | -24.6 | -178.7 | -78.9 | -79.1 | 0 | 0 | 0 | 113.3 | Y107 F111 L149 A191 | Y107-F153 HydrophobicContact CD1-CB 4.13Å; Y107-F153 HydrophobicContact CD2-CB 3.83Å; Y107-F153 HydrophobicContact CE1-CB 3.9Å; Y107-F153 HydrophobicContact CE1-CG 4.37Å; Y107-F153 HydrophobicContact CE2-CB 3.62Å; Y107-F153 HydrophobicContact CG-CB 4.11Å; F111-F153 AromaticContact CE2-CD2 3.92Å; F111-F153 HydrophobicContact CE2-CD2 3.92Å; F111-F153 HydrophobicContact CE2-CE2 4.46Å; F111-F153 AromaticContact CZ-CD2 3.8Å; F111-F153 HydrophobicContact CZ-CD2 3.8Å; F111-F153 HydrophobicContact CZ-CE2 4.08Å; F111-F153 HydrophobicContact CZ-CG 4.46Å; L149-F153 HydrophobicContact CB-CD2 4.5Å; L149-F153 HydrophobicContact CD2-CE2 4.49Å; L149-F153 VanDerWaalsContact O-CD2 3.24Å; L149-F153 WeakPolarHBondContact O-CD2 3.44Å; L149-F153 PolarHBondContact O-N 3.17Å; F153-A191 HydrophobicContact CD1-CB 3.86Å; F153-A191 HydrophobicContact CE1-CB 3.65Å; F153-A191 HydrophobicContact CZ-CB 4.2Å |
| 154 | S | 97.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -86.4 | -19.7 | 176.1 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | L100 A150 A151 Y157 | L100-S154 WeakPolarHBondContact CD1-O 3.24Å; A150-S154 WeakPolarHBondContact O-CB 3.49Å; A150-S154 PolarHBondContact O-N 2.87Å; A150-S154 PolarHBondContact O-OG 2.98Å; A151-S154 WeakPolarHBondContact CA-OG 3.17Å; A151-S154 PolarHBondContact O-N 2.92Å; A151-S154 PolarHBondContact O-OG 3.04Å; S154-Y157 WeakPolarHBondContact O-CB 3.31Å; S154-Y157 WeakPolarHBondContact O-CD2 3.37Å; S154-Y157 PolarHBondContact O-N 3.23Å |
| 155 | A | 96.6 | Very high | 96.1 | Very high | 48 Ų | 48 | 56.7 Ų | 56.7 | 40% | 0.397 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -40.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.3 | A151 Y157 L158 | A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 3.46Å; A155-Y157 PolarHBondContact O-N 3.48Å; A155-Y157 VanDerWaalsContact O-N 3.09Å; A155-L158 WeakPolarHBondContact O-CB 3.42Å; A155-L158 PolarHBondContact O-N 3.41Å |
| 156 | P | 96.1 | Very high | 95.7 | Very high | 42 Ų | 42 | 60.8 Ų | 60.8 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.1 | 177.7 | -25.6 | 35.9 | 0 | 0 | 0 | 113.8 | L158 S159 Y160 W176 L184 | P156-L158 PolarHBondContact O-N 3.39Å; P156-S159 PolarHBondContact O-N 3.4Å; P156-Y160 PolarHBondContact O-N 2.88Å; P156-W176 HydrophobicContact CB-CH2 4.06Å; P156-L184 HydrophobicContact CB-CD1 3.82Å; P156-L184 HydrophobicContact CB-CD2 4.1Å; P156-L184 HydrophobicContact CG-CD1 4.11Å |
| 157 | Y | 95.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.9 | -18.4 | -177.9 | -70.9 | -75.4 | 0 | 0 | 0 | 114.4 | Y103 S154 A155 S159 Y160 Y161 L184 T188 | Y103-Y157 HydrophobicContact CD1-CD2 4.09Å; Y103-Y157 HydrophobicContact CD1-CE1 4.09Å; Y103-Y157 AromaticContact CD1-CE2 3.49Å; Y103-Y157 HydrophobicContact CD1-CE2 3.49Å; Y103-Y157 VanDerWaalsContact CD1-CE2 3.49Å; Y103-Y157 AromaticContact CD1-CZ 3.47Å; Y103-Y157 VanDerWaalsContact CD1-CZ 3.47Å; Y103-Y157 AromaticContact CD2-CD1 3.44Å; Y103-Y157 HydrophobicContact CD2-CD1 3.44Å; Y103-Y157 VanDerWaalsContact CD2-CD1 3.44Å; Y103-Y157 AromaticContact CD2-CD2 3.6Å; Y103-Y157 HydrophobicContact CD2-CD2 3.6Å; Y103-Y157 AromaticContact CD2-CE1 3.64Å; Y103-Y157 HydrophobicContact CD2-CE1 3.64Å; Y103-Y157 AromaticContact CD2-CE2 3.8Å; Y103-Y157 HydrophobicContact CD2-CE2 3.8Å; Y103-Y157 AromaticContact CD2-CG 3.4Å; Y103-Y157 HydrophobicContact CD2-CG 3.4Å; Y103-Y157 AromaticContact CD2-CZ 3.79Å; Y103-Y157 AromaticContact CE1-CE1 3.75Å; Y103-Y157 HydrophobicContact CE1-CE1 3.75Å; Y103-Y157 AromaticContact CE1-CE2 3.93Å; Y103-Y157 HydrophobicContact CE1-CE2 3.93Å; Y103-Y157 AromaticContact CE1-CZ 3.38Å; Y103-Y157 VanDerWaalsContact CE1-OH 3.27Å; Y103-Y157 WeakPolarHBondContact CE1-OH 3.34Å; Y103-Y157 AromaticContact CE2-CD1 3.39Å; Y103-Y157 HydrophobicContact CE2-CD1 3.39Å; Y103-Y157 HydrophobicContact CE2-CD2 4.31Å; Y103-Y157 AromaticContact CE2-CE1 3.31Å; Y103-Y157 HydrophobicContact CE2-CE1 3.31Å; Y103-Y157 HydrophobicContact CE2-CE2 4.26Å; Y103-Y157 AromaticContact CE2-CG 3.9Å; Y103-Y157 HydrophobicContact CE2-CG 3.9Å; Y103-Y157 AromaticContact CE2-CZ 3.76Å; Y103-Y157 HydrophobicContact CG-CD1 4.11Å; Y103-Y157 AromaticContact CG-CD2 3.49Å; Y103-Y157 HydrophobicContact CG-CD2 3.49Å; Y103-Y157 VanDerWaalsContact CG-CD2 3.49Å; Y103-Y157 HydrophobicContact CG-CE1 4.04Å; Y103-Y157 AromaticContact CG-CE2 3.4Å; Y103-Y157 HydrophobicContact CG-CE2 3.4Å; Y103-Y157 VanDerWaalsContact CG-CE2 3.4Å; Y103-Y157 AromaticContact CG-CG 3.83Å; Y103-Y157 HydrophobicContact CG-CG 3.83Å; Y103-Y157 AromaticContact CG-CZ 3.68Å; Y103-Y157 AromaticContact CZ-CD1 3.95Å; Y103-Y157 AromaticContact CZ-CE1 3.34Å; Y103-Y157 AromaticContact CZ-CZ 3.52Å; S154-Y157 WeakPolarHBondContact O-CB 3.31Å; S154-Y157 WeakPolarHBondContact O-CD2 3.37Å; S154-Y157 PolarHBondContact O-N 3.23Å; A155-Y157 PolarHBondContact O-N 3.48Å; A155-Y157 VanDerWaalsContact O-N 3.09Å; Y157-S159 PolarHBondContact O-N 3.43Å; Y157-Y160 AromaticContact CD1-CD1 3.94Å; Y157-Y160 HydrophobicContact CD1-CD1 3.94Å; Y157-Y160 HydrophobicContact CD1-CG 4.14Å; Y157-Y160 HydrophobicContact CE1-CD1 4.17Å; Y157-Y160 HydrophobicContact CE1-CE1 4.36Å; Y157-Y160 HydrophobicContact CE1-CG 4.39Å; Y157-Y161 HydrophobicContact CD1-CD2 4Å; Y157-Y161 AromaticContact CD1-CE2 3.73Å; Y157-Y161 HydrophobicContact CD1-CE2 3.73Å; Y157-Y161 HydrophobicContact CE1-CE2 4.2Å; Y157-Y161 PolarHBondContact O-N 3.42Å; Y157-L184 HydrophobicContact CD1-CD2 4.04Å; Y157-L184 HydrophobicContact CE1-CD2 3.69Å; Y157-L184 HydrophobicContact CE1-CG 4.33Å; Y157-L184 HydrophobicContact CE2-CD2 4.27Å; Y157-L184 HydrophobicContact CE2-CG 4.46Å; Y157-L184 HydrophobicContact CG-CD2 4.5Å; Y157-T188 WeakPolarHBondContact OH-CB 3.49Å; Y157-T188 PolarHBondContact OH-OG1 3.39Å |
| 158 | L | 93.1 | Very high | 95 | Very high | 85 Ų | 85 | 65.9 Ų | 65.9 | 45% | 0.445 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -31.2 | 169.9 | -83.4 | 167.5 | 0 | 0 | 0 | 113.1 | K96 L100 A155 P156 | K96-L158 HydrophobicContact CB-CD2 4.47Å; K96-L158 WeakPolarHBondContact CD-O 3.4Å; K96-L158 WeakPolarHBondContact CE-O 3.41Å; L100-L158 HydrophobicContact CB-CD2 4.47Å; L100-L158 HydrophobicContact CD1-CG 4.17Å; L100-L158 HydrophobicContact CD2-CD1 4.15Å; L100-L158 HydrophobicContact CD2-CD2 3.86Å; L100-L158 HydrophobicContact CD2-CG 3.89Å; L100-L158 HydrophobicContact CG-CG 4.41Å; A155-L158 WeakPolarHBondContact O-CB 3.42Å; A155-L158 PolarHBondContact O-N 3.41Å; P156-L158 PolarHBondContact O-N 3.39Å |
| 159 | S | 94.2 | Very high | 94.8 | Very high | 73 Ų | 73 | 64 Ų | 64 | 51% | 0.51 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -100 | -31.7 | 178.9 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | P156 Y157 Y161 W176 | P156-S159 PolarHBondContact O-N 3.4Å; Y157-S159 PolarHBondContact O-N 3.43Å; S159-Y161 PolarHBondContact O-N 3.24Å; S159-W176 PolarHBondContact O-NE1 3.08Å; S159-W176 PolarHBondContact OG-NE1 2.8Å |
| 160 | Y | 95.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 63.4 Ų | 63.4 | 2% | 0.024 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | -179.6 | -179.4 | -86.9 | 0 | 0 | 0 | 113.1 | P156 Y157 P174 A175 W176 R181 L184 D185 | P156-Y160 PolarHBondContact O-N 2.88Å; Y157-Y160 AromaticContact CD1-CD1 3.94Å; Y157-Y160 HydrophobicContact CD1-CD1 3.94Å; Y157-Y160 HydrophobicContact CD1-CG 4.14Å; Y157-Y160 HydrophobicContact CE1-CD1 4.17Å; Y157-Y160 HydrophobicContact CE1-CE1 4.36Å; Y157-Y160 HydrophobicContact CE1-CG 4.39Å; Y160-P174 HydrophobicContact CD1-CB 4.1Å; Y160-P174 HydrophobicContact CD1-CG 4.5Å; Y160-P174 HydrophobicContact CE1-CB 3.44Å; Y160-P174 VanDerWaalsContact CE1-CB 3.44Å; Y160-P174 HydrophobicContact CE1-CG 3.6Å; Y160-P174 HydrophobicContact CE2-CB 4.48Å; Y160-P174 CarbonylContact O-C 3.5Å; Y160-P174 WeakPolarHBondContact O-CA 3.26Å; Y160-A175 PolarHBondContact O-N 3.48Å; Y160-W176 HydrophobicContact CD2-CB 4.27Å; Y160-W176 HydrophobicContact CD2-CD2 4.02Å; Y160-W176 AromaticContact CD2-CE3 3.88Å; Y160-W176 HydrophobicContact CD2-CE3 3.88Å; Y160-W176 HydrophobicContact CD2-CG 4.2Å; Y160-R181 HydrophobicContact CD2-CG 4.29Å; Y160-R181 HydrophobicContact CE2-CB 3.88Å; Y160-R181 HydrophobicContact CE2-CG 3.62Å; Y160-L184 HydrophobicContact CD2-CD2 3.41Å; Y160-L184 VanDerWaalsContact CD2-CD2 3.41Å; Y160-L184 HydrophobicContact CE2-CD2 3.96Å; Y160-L184 HydrophobicContact CG-CD2 3.85Å; Y160-D185 PolarHBondContact OH-OD1 2.68Å |
| 161 | Y | 94.9 | Very high | 94.4 | Very high | 26 Ų | 26 | 66.3 Ų | 66.3 | 10% | 0.102 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 139.7 | 178 | -77.5 | -82.9 | 0 | 0 | 0 | 111.9 | K96 H99 Y103 Y157 S159 P174 | K96-Y161 WeakPolarHBondContact CE-O 3.44Å; K96-Y161 WeakPolarHBondContact CG-O 3.21Å; H99-Y161 HydrophobicContact CB-CD1 4.4Å; H99-Y161 HydrophobicContact CB-CD2 3.39Å; H99-Y161 HydrophobicContact CB-CE2 3.85Å; H99-Y161 HydrophobicContact CB-CG 3.73Å; H99-Y161 AromaticContact CD2-CD1 3.61Å; H99-Y161 AromaticContact CD2-CD2 3.73Å; H99-Y161 AromaticContact CD2-CE1 3.3Å; H99-Y161 WeakPolarHBondContact CD2-CE1 3.31Å; H99-Y161 AromaticContact CD2-CE2 3.48Å; H99-Y161 VanDerWaalsContact CD2-CE2 3.48Å; H99-Y161 WeakPolarHBondContact CD2-CE2 3.46Å; H99-Y161 AromaticContact CD2-CG 3.81Å; H99-Y161 AromaticContact CD2-CZ 3.24Å; H99-Y161 AromaticContact CE1-CD1 3.9Å; H99-Y161 AromaticContact CG-CD1 3.71Å; H99-Y161 AromaticContact CG-CD2 3.58Å; H99-Y161 AromaticContact CG-CE1 3.91Å; H99-Y161 AromaticContact CG-CE2 3.82Å; H99-Y161 AromaticContact CG-CG 3.55Å; H99-Y161 AromaticContact CG-CZ 3.96Å; H99-Y161 AromaticContact ND1-CD1 3.9Å; H99-Y161 AromaticContact ND1-CG 3.97Å; H99-Y161 AromaticContact NE2-CD1 3.72Å; H99-Y161 AromaticContact NE2-CE1 3.38Å; H99-Y161 WeakPolarHBondContact NE2-CE1 3.39Å; H99-Y161 AromaticContact NE2-CZ 3.78Å; Y103-Y161 AromaticContact CE2-CE2 3.73Å; Y103-Y161 HydrophobicContact CE2-CE2 3.73Å; Y103-Y161 PolarHBondContact OH-OH 3.42Å; Y157-Y161 HydrophobicContact CD1-CD2 4Å; Y157-Y161 AromaticContact CD1-CE2 3.73Å; Y157-Y161 HydrophobicContact CD1-CE2 3.73Å; Y157-Y161 HydrophobicContact CE1-CE2 4.2Å; Y157-Y161 PolarHBondContact O-N 3.42Å; S159-Y161 PolarHBondContact O-N 3.24Å; Y161-P174 HydrophobicContact CE1-CG 3.9Å |
| 162 | G | 95.1 | Very high | 94.3 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 10% | 0.103 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 173.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C172 V173 | G162-C172 WeakPolarHBondContact O-CA 3.35Å; G162-V173 PolarHBondContact N-O 3Å; G162-V173 PolarHBondContact O-N 2.67Å; G162-V173 VanDerWaalsContact O-O 3.13Å |
| 163 | T | 95.4 | Very high | 94.1 | Very high | 42 Ų | 42 | 61.7 Ų | 61.7 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 137.4 | 171.4 | 57.8 | 0 | 0 | 0 | 0 | 110.9 | A92 C95 E170 L171 | A92-T163 HydrophobicContact CB-CG2 4.3Å; C95-T163 HydrophobicContact CB-CG2 3.98Å; T163-E170 WeakPolarHBondContact CB-OE1 3.33Å; T163-E170 HydrophobicContact CG2-CG 4.3Å; T163-E170 WeakPolarHBondContact CG2-OE1 3.2Å; T163-E170 PolarHBondContact OG1-OE1 3.05Å; T163-L171 CarbonylContact C-O 3.6Å; T163-L171 WeakPolarHBondContact CA-O 3.36Å |
| 164 | V | 93.7 | Very high | 93.9 | Very high | 72 Ų | 72 | 59.9 Ų | 59.9 | 44% | 0.436 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.7 | 177.2 | -178.6 | 0 | 0 | 0 | 0 | 108 | L171 V173 | V164-L171 PolarHBondContact N-O 3.39Å; V164-L171 PolarHBondContact O-N 3.17Å; V164-V173 HydrophobicContact CB-CG2 4.19Å; V164-V173 HydrophobicContact CG2-CG2 3.77Å |
| 165 | R | 93 | Very high | 93.6 | Very high | 198 Ų | 198 | 62.6 Ų | 62.6 | 75% | 0.747 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 126.6 | 175.7 | -74.6 | -174.8 | 168.4 | 172.9 | -4.4 | 110.7 | L169 | R165-L169 CarbonylContact C-O 3.57Å; R165-L169 WeakPolarHBondContact CA-O 3.5Å |
| 166 | Y | 89.8 | Confident | 93.5 | Very high | 182 Ų | 182 | 63.5 Ų | 63.5 | 71% | 0.714 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 96.3 | 173.8 | -167.4 | -94.9 | 0 | 0 | 0 | 108.7 | A168 L169 | Y166-A168 PolarHBondContact O-N 2.69Å; Y166-L169 PolarHBondContact N-O 2.92Å; Y166-L169 PolarHBondContact O-N 3.27Å; Y166-L169 VanDerWaalsContact O-N 3.08Å |
| 167 | G | 90.3 | Very high | 93.4 | Very high | 76 Ų | 76 | 68 Ų | 68 | 78% | 0.784 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -121.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 168 | A | 89.8 | Confident | 93.2 | Very high | 109 Ų | 109 | 72.5 Ų | 72.5 | 90% | 0.901 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -6.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | Y166 | Y166-A168 PolarHBondContact O-N 2.69Š|
| 169 | L | 92.7 | Very high | 93.2 | Very high | 76 Ų | 76 | 71.9 Ų | 71.9 | 40% | 0.398 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 136 | -176 | -60.6 | 169.6 | 0 | 0 | 0 | 110.8 | A87 R165 Y166 | A87-L169 HydrophobicContact CB-CD2 3.93Å; R165-L169 CarbonylContact C-O 3.57Å; R165-L169 WeakPolarHBondContact CA-O 3.5Å; Y166-L169 PolarHBondContact N-O 2.92Å; Y166-L169 PolarHBondContact O-N 3.27Å; Y166-L169 VanDerWaalsContact O-N 3.08Å |
| 170 | E | 94.2 | Very high | 93.2 | Very high | 47 Ų | 47 | 75.7 Ų | 75.7 | 22% | 0.22 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 127.5 | 169.6 | -172.8 | 166 | 169.8 | 0 | 0 | 109 | W88 T163 | W88-E170 WeakPolarHBondContact CB-O 3.39Å; W88-E170 PolarHBondContact N-O 3.47Å; T163-E170 WeakPolarHBondContact CB-OE1 3.33Å; T163-E170 HydrophobicContact CG2-CG 4.3Å; T163-E170 WeakPolarHBondContact CG2-OE1 3.2Å; T163-E170 PolarHBondContact OG1-OE1 3.05Å |
| 171 | L | 94.3 | Very high | 93.2 | Very high | 61 Ų | 61 | 78 Ų | 78 | 32% | 0.319 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.4 | -175.6 | -58.8 | 176.3 | 0 | 0 | 0 | 110.2 | D86 T163 V164 V173 | D86-L171 WeakPolarHBondContact O-CD2 3.38Å; T163-L171 CarbonylContact C-O 3.6Å; T163-L171 WeakPolarHBondContact CA-O 3.36Å; V164-L171 PolarHBondContact N-O 3.39Å; V164-L171 PolarHBondContact O-N 3.17Å; L171-V173 HydrophobicContact CB-CG1 4.08Å |
| 172 | C | 95.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 81.5 Ų | 81.5 | 10% | 0.101 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 107.5 | 171.9 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | W88 C95 H99 G162 | W88-C172 HydrophobicContact CB-CB 4.04Å; W88-C172 HydrophobicContact CD2-CB 3.66Å; W88-C172 HydrophobicContact CE3-CB 4.01Å; W88-C172 HydrophobicContact CG-CB 3.67Å; C95-C172 HydrophobicContact CB-CB 3.87Å; C95-C172 WeakPolarHBondContact CB-SG 3.29Å; C95-C172 WeakPolarHBondContact SG-CB 3.46Å; C95-C172 CovalentContact SG-SG 2.03Å; C95-C172 PolarHBondContact SG-SG 3.31Å; H99-C172 PolarHBondContact CE1-SG 2.97Å; G162-C172 WeakPolarHBondContact O-CA 3.35Å |
| 173 | V | 93.8 | Very high | 93.2 | Very high | 50 Ų | 50 | 84 Ų | 84 | 30% | 0.303 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 161.7 | -169.9 | -65.1 | 0 | 0 | 0 | 0 | 112.3 | G162 V164 L171 A175 | G162-V173 PolarHBondContact N-O 3Å; G162-V173 PolarHBondContact O-N 2.67Å; G162-V173 VanDerWaalsContact O-O 3.13Å; V164-V173 HydrophobicContact CB-CG2 4.19Å; V164-V173 HydrophobicContact CG2-CG2 3.77Å; L171-V173 HydrophobicContact CB-CG1 4.08Å; V173-A175 PolarHBondContact O-N 3.27Å |
| 174 | P | 93.1 | Very high | 93.2 | Very high | 38 Ų | 38 | 83 Ų | 83 | 25% | 0.247 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 121.2 | 165 | -24.2 | 35.8 | 0 | 0 | 0 | 110.8 | Y160 Y161 | Y160-P174 HydrophobicContact CD1-CB 4.1Å; Y160-P174 HydrophobicContact CD1-CG 4.5Å; Y160-P174 HydrophobicContact CE1-CB 3.44Å; Y160-P174 VanDerWaalsContact CE1-CB 3.44Å; Y160-P174 HydrophobicContact CE1-CG 3.6Å; Y160-P174 HydrophobicContact CE2-CB 4.48Å; Y160-P174 CarbonylContact O-C 3.5Å; Y160-P174 WeakPolarHBondContact O-CA 3.26Å; Y161-P174 HydrophobicContact CE1-CG 3.9Å |
| 175 | A | 90.6 | Very high | 93.2 | Very high | 59 Ų | 59 | 79.9 Ų | 79.9 | 49% | 0.488 | 43% | 0.43 | S | S | . | . | trans | -101.8 | -9.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y160 V173 | Y160-A175 PolarHBondContact O-N 3.48Å; V173-A175 PolarHBondContact O-N 3.27Å | ||
| 176 | W | 93.5 | Very high | 93.4 | Very high | 66 Ų | 66 | 72.7 Ų | 72.7 | 25% | 0.25 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -74.6 | 158.6 | 179.6 | -77.6 | 14.1 | 0 | 0 | 0 | 112.6 | P156 S159 Y160 R180 R181 L184 | P156-W176 HydrophobicContact CB-CH2 4.06Å; S159-W176 PolarHBondContact O-NE1 3.08Å; S159-W176 PolarHBondContact OG-NE1 2.8Å; Y160-W176 HydrophobicContact CD2-CB 4.27Å; Y160-W176 HydrophobicContact CD2-CD2 4.02Å; Y160-W176 AromaticContact CD2-CE3 3.88Å; Y160-W176 HydrophobicContact CD2-CE3 3.88Å; Y160-W176 HydrophobicContact CD2-CG 4.2Å; W176-R180 HydrophobicContact CB-CB 4.43Å; W176-R180 HydrophobicContact CD2-CB 4.39Å; W176-R180 HydrophobicContact CE3-CB 3.7Å; W176-R180 HydrophobicContact CZ3-CB 4.34Å; W176-R181 HydrophobicContact CB-CG 3.66Å; W176-R181 WeakPolarHBondContact O-CD 3.09Å; W176-R181 WeakPolarHBondContact O-CG 3.31Å; W176-L184 HydrophobicContact CZ3-CB 4.43Å; W176-L184 HydrophobicContact CZ3-CD2 4.19Å |
| 177 | E | 93.6 | Very high | 93.7 | Very high | 137 Ų | 137 | 66.2 Ų | 66.2 | 64% | 0.64 | 39% | 0.392 | S | S | * | . | trans | -65.4 | 151.5 | 170.9 | -63.1 | 174.4 | 165.7 | 0 | 0 | 111.8 | A179 R180 R181 | E177-A179 VanDerWaalsContact C-N 3.3Å; E177-A179 PolarHBondContact O-N 2.98Å; E177-A179 VanDerWaalsContact O-N 3.17Å; E177-R180 PolarHBondContact O-N 3.21Å; E177-R181 WeakPolarHBondContact O-CG 3.36Å; E177-R181 PolarHBondContact O-N 3.38Å | ||
| 178 | D | 91.6 | Very high | 94 | Very high | 94 Ų | 94 | 62.9 Ų | 62.9 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.4 | -36.8 | -172.3 | -74.5 | -21.1 | 0 | 0 | 0 | 114.2 | R181 R182 W259 | D178-R181 PolarHBondContact O-N 2.97Å; D178-R181 IonicContact OD1-CZ 3.86Å; D178-R181 IonicContact OD1-NH1 3.62Å; D178-R181 PolarHBondContact OD1-NH1 2.92Å; D178-R182 VanDerWaalsContact O-CB 3.26Å; D178-R182 WeakPolarHBondContact O-CB 3.42Å; D178-R182 PolarHBondContact O-N 3.07Å; D178-W259 HydrophobicContact CB-CH2 4.13Å; D178-W259 HydrophobicContact CB-CZ3 4.03Å; D178-W259 WeakPolarHBondContact O-CH2 3.42Å |
| 179 | A | 93.5 | Very high | 94.3 | Very high | 73 Ų | 73 | 59.9 Ų | 59.9 | 60% | 0.603 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.9 | -45.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E177 A183 | E177-A179 VanDerWaalsContact C-N 3.3Å; E177-A179 PolarHBondContact O-N 2.98Å; E177-A179 VanDerWaalsContact O-N 3.17Å; A179-A183 WeakPolarHBondContact O-CB 3.34Å; A179-A183 PolarHBondContact O-N 3.21Å |
| 180 | R | 94.9 | Very high | 94.5 | Very high | 153 Ų | 153 | 58.2 Ų | 58.2 | 58% | 0.577 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.3 | -37 | 177.5 | -63.1 | -176.3 | -175.5 | -172.8 | 1.4 | 111.2 | W176 E177 A183 L184 | W176-R180 HydrophobicContact CB-CB 4.43Å; W176-R180 HydrophobicContact CD2-CB 4.39Å; W176-R180 HydrophobicContact CE3-CB 3.7Å; W176-R180 HydrophobicContact CZ3-CB 4.34Å; E177-R180 PolarHBondContact O-N 3.21Å; R180-A183 PolarHBondContact O-N 3.03Å; R180-L184 PolarHBondContact O-N 2.86Å |
| 181 | R | 93.8 | Very high | 94.6 | Very high | 53 Ų | 53 | 56.5 Ų | 56.5 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.2 | -49.8 | 176.1 | -69.9 | 173.8 | 57.7 | -166.1 | 11.6 | 111.5 | Y160 W176 E177 D178 A183 L184 D185 W259 | Y160-R181 HydrophobicContact CD2-CG 4.29Å; Y160-R181 HydrophobicContact CE2-CB 3.88Å; Y160-R181 HydrophobicContact CE2-CG 3.62Å; W176-R181 HydrophobicContact CB-CG 3.66Å; W176-R181 WeakPolarHBondContact O-CD 3.09Å; W176-R181 WeakPolarHBondContact O-CG 3.31Å; E177-R181 WeakPolarHBondContact O-CG 3.36Å; E177-R181 PolarHBondContact O-N 3.38Å; D178-R181 PolarHBondContact O-N 2.97Å; D178-R181 IonicContact OD1-CZ 3.86Å; D178-R181 IonicContact OD1-NH1 3.62Å; D178-R181 PolarHBondContact OD1-NH1 2.92Å; R181-A183 VanDerWaalsContact C-N 3.32Å; R181-A183 PolarHBondContact O-N 3.49Å; R181-L184 PolarHBondContact O-N 2.95Å; R181-D185 WeakPolarHBondContact O-CB 3.47Å; R181-D185 VanDerWaalsContact O-CG 3.27Å; R181-D185 PolarHBondContact O-N 3.23Å; R181-W259 HydrophobicContact CB-CH2 3.79Å; R181-W259 HydrophobicContact CB-CZ2 3.65Å |
| 182 | R | 94.8 | Very high | 94.5 | Very high | 101 Ų | 101 | 53.6 Ų | 53.6 | 38% | 0.381 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -56.3 | -46.8 | 175.2 | -174.8 | -173.9 | -59.4 | 174.7 | -0.7 | 111.4 | D178 L184 D185 V186 W259 | D178-R182 VanDerWaalsContact O-CB 3.26Å; D178-R182 WeakPolarHBondContact O-CB 3.42Å; D178-R182 PolarHBondContact O-N 3.07Å; R182-L184 PolarHBondContact O-N 2.89Å; R182-D185 PolarHBondContact O-N 3.11Å; R182-V186 HydrophobicContact CG-CG2 4.39Å; R182-V186 WeakPolarHBondContact O-CB 3.06Å; R182-V186 WeakPolarHBondContact O-CG2 3.28Å; R182-V186 PolarHBondContact O-N 3.05Å; R182-W259 HydrophobicContact CB-CD2 3.78Å; R182-W259 HydrophobicContact CB-CE3 3.83Å; R182-W259 HydrophobicContact CB-CG 4.36Å; R182-W259 HydrophobicContact CB-CH2 4.19Å; R182-W259 HydrophobicContact CB-CZ2 4.15Å; R182-W259 HydrophobicContact CB-CZ3 4.03Å; R182-W259 HydrophobicContact CG-CB 4.21Å; R182-W259 HydrophobicContact CG-CD2 3.82Å; R182-W259 HydrophobicContact CG-CE3 4.03Å; R182-W259 HydrophobicContact CG-CG 3.92Å |
| 183 | A | 95.8 | Very high | 94.5 | Very high | 62 Ų | 62 | 55 Ų | 55 | 51% | 0.512 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60 | -45.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | A179 R180 R181 A187 | A179-A183 WeakPolarHBondContact O-CB 3.34Å; A179-A183 PolarHBondContact O-N 3.21Å; R180-A183 PolarHBondContact O-N 3.03Å; R181-A183 VanDerWaalsContact C-N 3.32Å; R181-A183 PolarHBondContact O-N 3.49Å; A183-A187 VanDerWaalsContact O-CB 3.31Å; A183-A187 WeakPolarHBondContact O-CB 3.2Å; A183-A187 PolarHBondContact O-N 3.31Å |
| 184 | L | 95.5 | Very high | 94.6 | Very high | 20 Ų | 20 | 57 Ų | 57 | 11% | 0.105 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 177.9 | -173.8 | 63.7 | 0 | 0 | 0 | 112 | P156 Y157 Y160 W176 R180 R181 R182 V186 A187 T188 | P156-L184 HydrophobicContact CB-CD1 3.82Å; P156-L184 HydrophobicContact CB-CD2 4.1Å; P156-L184 HydrophobicContact CG-CD1 4.11Å; Y157-L184 HydrophobicContact CD1-CD2 4.04Å; Y157-L184 HydrophobicContact CE1-CD2 3.69Å; Y157-L184 HydrophobicContact CE1-CG 4.33Å; Y157-L184 HydrophobicContact CE2-CD2 4.27Å; Y157-L184 HydrophobicContact CE2-CG 4.46Å; Y157-L184 HydrophobicContact CG-CD2 4.5Å; Y160-L184 HydrophobicContact CD2-CD2 3.41Å; Y160-L184 VanDerWaalsContact CD2-CD2 3.41Å; Y160-L184 HydrophobicContact CE2-CD2 3.96Å; Y160-L184 HydrophobicContact CG-CD2 3.85Å; W176-L184 HydrophobicContact CZ3-CB 4.43Å; W176-L184 HydrophobicContact CZ3-CD2 4.19Å; R180-L184 PolarHBondContact O-N 2.86Å; R181-L184 PolarHBondContact O-N 2.95Å; R182-L184 PolarHBondContact O-N 2.89Å; L184-V186 VanDerWaalsContact C-N 3.33Å; L184-V186 PolarHBondContact O-N 2.9Å; L184-A187 PolarHBondContact O-N 3.27Å; L184-T188 WeakPolarHBondContact O-CB 3.13Å; L184-T188 PolarHBondContact O-N 2.95Å; L184-T188 PolarHBondContact O-OG1 3.05Å; L184-T188 VanDerWaalsContact O-OG1 3.08Å |
| 185 | D | 94.4 | Very high | 94.7 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 179.8 | -69.4 | -15.1 | 0 | 0 | 0 | 111.9 | Y160 R181 R182 T188 F189 I255 W259 | Y160-D185 PolarHBondContact OH-OD1 2.68Å; R181-D185 WeakPolarHBondContact O-CB 3.47Å; R181-D185 VanDerWaalsContact O-CG 3.27Å; R181-D185 PolarHBondContact O-N 3.23Å; R182-D185 PolarHBondContact O-N 3.11Å; D185-T188 PolarHBondContact O-N 3.36Å; D185-F189 PolarHBondContact O-N 2.88Å; D185-I255 HydrophobicContact CB-CD1 3.84Å; D185-I255 HydrophobicContact CB-CG1 4.29Å; D185-W259 PolarHBondContact OD2-NE1 3.03Å |
| 186 | V | 95.8 | Very high | 94.8 | Very high | 47 Ų | 47 | 56.7 Ų | 56.7 | 29% | 0.285 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 173.8 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | R182 L184 T188 F189 A190 L256 Y260 | R182-V186 HydrophobicContact CG-CG2 4.39Å; R182-V186 WeakPolarHBondContact O-CB 3.06Å; R182-V186 WeakPolarHBondContact O-CG2 3.28Å; R182-V186 PolarHBondContact O-N 3.05Å; L184-V186 VanDerWaalsContact C-N 3.33Å; L184-V186 PolarHBondContact O-N 2.9Å; V186-T188 VanDerWaalsContact C-N 3.26Å; V186-T188 PolarHBondContact O-N 2.76Å; V186-F189 WeakPolarHBondContact O-CB 3.25Å; V186-F189 PolarHBondContact O-N 3.43Å; V186-A190 WeakPolarHBondContact O-CB 3.18Å; V186-A190 PolarHBondContact O-N 2.85Å; V186-L256 HydrophobicContact CG2-CD2 4.37Å; V186-Y260 HydrophobicContact CG2-CE2 3.92Å; V186-Y260 VanDerWaalsContact CG2-OH 3.3Å; V186-Y260 WeakPolarHBondContact CG2-OH 3.38Å |
| 187 | A | 96.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 55 Ų | 55 | 39% | 0.388 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | A183 L184 A190 A191 | A183-A187 VanDerWaalsContact O-CB 3.31Å; A183-A187 WeakPolarHBondContact O-CB 3.2Å; A183-A187 PolarHBondContact O-N 3.31Å; L184-A187 PolarHBondContact O-N 3.27Å; A187-A190 PolarHBondContact O-N 3.43Å; A187-A191 WeakPolarHBondContact O-CB 3.5Å; A187-A191 PolarHBondContact O-N 3.49Å |
| 188 | T | 96.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 50.3 Ų | 50.3 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 176.4 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | Y103 M106 Y107 Y157 L184 D185 V186 G192 | Y103-T188 HydrophobicContact CD1-CG2 4.32Å; Y103-T188 HydrophobicContact CE1-CG2 4.18Å; M106-T188 HydrophobicContact CE-CG2 3.77Å; Y107-T188 VanDerWaalsContact OH-CA 3.29Å; Y107-T188 WeakPolarHBondContact OH-CA 3.32Å; Y107-T188 WeakPolarHBondContact OH-CB 3.36Å; Y107-T188 PolarHBondContact OH-OG1 3.47Å; Y157-T188 WeakPolarHBondContact OH-CB 3.49Å; Y157-T188 PolarHBondContact OH-OG1 3.39Å; L184-T188 WeakPolarHBondContact O-CB 3.13Å; L184-T188 PolarHBondContact O-N 2.95Å; L184-T188 PolarHBondContact O-OG1 3.05Å; L184-T188 VanDerWaalsContact O-OG1 3.08Å; D185-T188 PolarHBondContact O-N 3.36Å; V186-T188 VanDerWaalsContact C-N 3.26Å; V186-T188 PolarHBondContact O-N 2.76Å; T188-G192 WeakPolarHBondContact O-CA 3.38Å; T188-G192 PolarHBondContact O-N 3.47Å |
| 189 | F | 96.1 | Very high | 95 | Very high | 46 Ų | 46 | 47.9 Ų | 47.9 | 20% | 0.202 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.4 | -47 | 169.1 | 166.3 | -112.5 | 0 | 0 | 0 | 111.8 | D185 V186 Y193 L194 H252 L256 | D185-F189 PolarHBondContact O-N 2.88Å; V186-F189 WeakPolarHBondContact O-CB 3.25Å; V186-F189 PolarHBondContact O-N 3.43Å; F189-Y193 HydrophobicContact CD2-CD1 4.03Å; F189-Y193 HydrophobicContact CD2-CG 4.5Å; F189-Y193 AromaticContact CE2-CD1 3.58Å; F189-Y193 HydrophobicContact CE2-CD1 3.58Å; F189-Y193 HydrophobicContact CE2-CE1 4.21Å; F189-Y193 HydrophobicContact CE2-CG 4.46Å; F189-Y193 WeakPolarHBondContact O-CA 3.34Å; F189-Y193 WeakPolarHBondContact O-CB 3.39Å; F189-Y193 PolarHBondContact O-N 3.15Å; F189-L194 HydrophobicContact CE1-CD2 4.45Å; F189-L194 HydrophobicContact CZ-CB 4.47Å; F189-L194 PolarHBondContact O-N 3.12Å; F189-H252 HydrophobicContact CD2-CB 3.58Å; F189-H252 AromaticContact CD2-CG 3.81Å; F189-H252 HydrophobicContact CE2-CB 4.09Å; F189-L256 HydrophobicContact CD1-CD1 3.92Å; F189-L256 HydrophobicContact CD1-CD2 4.35Å; F189-L256 HydrophobicContact CD2-CD1 4.19Å; F189-L256 HydrophobicContact CE1-CD1 3.79Å; F189-L256 HydrophobicContact CE2-CD1 4.03Å; F189-L256 HydrophobicContact CG-CD1 4.1Å; F189-L256 HydrophobicContact CZ-CD1 3.83Å |
| 190 | A | 96.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 45.1 Ų | 45.1 | 35% | 0.347 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -65.4 | -53.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | V186 A187 L194 L195 | V186-A190 WeakPolarHBondContact O-CB 3.18Å; V186-A190 PolarHBondContact O-N 2.85Å; A187-A190 PolarHBondContact O-N 3.43Å; A190-L194 PolarHBondContact O-N 3.2Å; A190-L195 WeakPolarHBondContact O-CB 3.3Å; A190-L195 PolarHBondContact O-N 3.35Å |
| 191 | A | 96 | Very high | 94.6 | Very high | 11 Ų | 11 | 41.1 Ų | 41.1 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -78.1 | -41 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y107 F111 F153 A187 P196 | Y107-A191 HydrophobicContact CE1-CB 4.16Å; F111-A191 WeakPolarHBondContact CE1-O 3.34Å; F153-A191 HydrophobicContact CD1-CB 3.86Å; F153-A191 HydrophobicContact CE1-CB 3.65Å; F153-A191 HydrophobicContact CZ-CB 4.2Å; A187-A191 WeakPolarHBondContact O-CB 3.5Å; A187-A191 PolarHBondContact O-N 3.49Å; A191-P196 WeakPolarHBondContact O-CD 3.43Å |
| 192 | G | 93.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -77.3 | -33.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | S110 T188 P196 Y244 | S110-G192 WeakPolarHBondContact CB-O 3.33Å; S110-G192 PolarHBondContact OG-O 3.25Å; T188-G192 WeakPolarHBondContact O-CA 3.38Å; T188-G192 PolarHBondContact O-N 3.47Å; G192-P196 WeakPolarHBondContact O-CG 3.24Å; G192-Y244 PolarHBondContact O-OH 3.41Å |
| 193 | Y | 94.6 | Very high | 94.1 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 17% | 0.169 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -121.5 | -58.7 | -174.3 | -178.5 | -98.6 | 0 | 0 | 0 | 113.5 | F189 L195 P196 V197 Y244 A245 W248 G249 H252 | F189-Y193 HydrophobicContact CD2-CD1 4.03Å; F189-Y193 HydrophobicContact CD2-CG 4.5Å; F189-Y193 AromaticContact CE2-CD1 3.58Å; F189-Y193 HydrophobicContact CE2-CD1 3.58Å; F189-Y193 HydrophobicContact CE2-CE1 4.21Å; F189-Y193 HydrophobicContact CE2-CG 4.46Å; F189-Y193 WeakPolarHBondContact O-CA 3.34Å; F189-Y193 WeakPolarHBondContact O-CB 3.39Å; F189-Y193 PolarHBondContact O-N 3.15Å; Y193-L195 PolarHBondContact O-N 2.94Å; Y193-P196 WeakPolarHBondContact O-CD 3.49Å; Y193-V197 HydrophobicContact CD1-CG2 4.47Å; Y193-V197 HydrophobicContact CD2-CG2 4.14Å; Y193-V197 HydrophobicContact CE1-CG2 4.31Å; Y193-V197 HydrophobicContact CE2-CG2 3.98Å; Y193-V197 HydrophobicContact CG-CG2 4.39Å; Y193-V197 VanDerWaalsContact O-CB 3.31Å; Y193-V197 WeakPolarHBondContact O-CB 3.38Å; Y193-V197 VanDerWaalsContact O-CG2 3.24Å; Y193-V197 WeakPolarHBondContact O-CG2 3.48Å; Y193-V197 PolarHBondContact O-N 3.41Å; Y193-Y244 HydrophobicContact CD2-CE1 4.16Å; Y193-A245 WeakPolarHBondContact CE2-O 3.36Å; Y193-A245 PolarHBondContact OH-O 2.95Å; Y193-W248 HydrophobicContact CD2-CB 3.78Å; Y193-W248 HydrophobicContact CE2-CB 3.95Å; Y193-G249 WeakPolarHBondContact OH-CA 3.36Å; Y193-H252 VanDerWaalsContact CB-CD2 3.47Å; Y193-H252 WeakPolarHBondContact CB-CD2 3.48Å; Y193-H252 AromaticContact CD2-CD2 3.73Å; Y193-H252 AromaticContact CG-CD2 3.65Å |
| 194 | L | 95.4 | Very high | 93.5 | Very high | 92 Ų | 92 | 36.3 Ų | 36.3 | 48% | 0.482 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -63.4 | -47.9 | -170.2 | -177.6 | 62 | 0 | 0 | 0 | 112.3 | F189 A190 V197 A198 | F189-L194 HydrophobicContact CE1-CD2 4.45Å; F189-L194 HydrophobicContact CZ-CB 4.47Å; F189-L194 PolarHBondContact O-N 3.12Å; A190-L194 PolarHBondContact O-N 3.2Å; L194-V197 PolarHBondContact O-N 2.88Å; L194-A198 WeakPolarHBondContact O-CB 2.95Å; L194-A198 PolarHBondContact O-N 2.99Å |
| 195 | L | 94.8 | Very high | 93 | Very high | 91 Ų | 91 | 36.6 Ų | 36.6 | 48% | 0.476 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.6 | -56 | 177.5 | 170.4 | 69.9 | 0 | 0 | 0 | 111.9 | F111 A190 Y193 V197 A198 V199 | F111-L195 HydrophobicContact CE1-CD2 4.49Å; A190-L195 WeakPolarHBondContact O-CB 3.3Å; A190-L195 PolarHBondContact O-N 3.35Å; Y193-L195 PolarHBondContact O-N 2.94Å; L195-V197 PolarHBondContact O-N 2.84Å; L195-A198 PolarHBondContact O-N 3.11Å; L195-V199 HydrophobicContact CD1-CG2 4.23Å; L195-V199 WeakPolarHBondContact O-CG2 3.41Å; L195-V199 PolarHBondContact O-N 3.25Å |
| 196 | P | 93.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.1 | -43 | 178.5 | 1.3 | -8.3 | 0 | 0 | 0 | 112.9 | S110 A114 A191 G192 Y193 A198 V199 V200 | S110-P196 VanDerWaalsContact OG-CB 3.28Å; S110-P196 WeakPolarHBondContact OG-CB 3.16Å; S110-P196 WeakPolarHBondContact OG-CG 3.38Å; A114-P196 HydrophobicContact CB-CB 4.26Å; A191-P196 WeakPolarHBondContact O-CD 3.43Å; G192-P196 WeakPolarHBondContact O-CG 3.24Å; Y193-P196 WeakPolarHBondContact O-CD 3.49Å; P196-A198 VanDerWaalsContact C-N 3.32Å; P196-A198 PolarHBondContact O-N 3.37Å; P196-V199 PolarHBondContact O-N 2.96Å; P196-V200 WeakPolarHBondContact O-CB 3.29Å; P196-V200 WeakPolarHBondContact O-CG2 3.39Å; P196-V200 PolarHBondContact O-N 2.03Å |
| 197 | V | 93.7 | Very high | 91.8 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 19% | 0.188 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 175.8 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | Y193 L194 L195 S201 Y244 A245 | Y193-V197 HydrophobicContact CD1-CG2 4.47Å; Y193-V197 HydrophobicContact CD2-CG2 4.14Å; Y193-V197 HydrophobicContact CE1-CG2 4.31Å; Y193-V197 HydrophobicContact CE2-CG2 3.98Å; Y193-V197 HydrophobicContact CG-CG2 4.39Å; Y193-V197 VanDerWaalsContact O-CB 3.31Å; Y193-V197 WeakPolarHBondContact O-CB 3.38Å; Y193-V197 VanDerWaalsContact O-CG2 3.24Å; Y193-V197 WeakPolarHBondContact O-CG2 3.48Å; Y193-V197 PolarHBondContact O-N 3.41Å; L194-V197 PolarHBondContact O-N 2.88Å; L195-V197 PolarHBondContact O-N 2.84Å; V197-S201 WeakPolarHBondContact O-CB 3.38Å; V197-S201 PolarHBondContact O-N 3.34Å; V197-S201 PolarHBondContact O-OG 2.91Å; V197-Y244 HydrophobicContact CG2-CD1 4.5Å; V197-Y244 HydrophobicContact CG2-CE1 4.37Å; V197-A245 HydrophobicContact CG2-CB 4.09Å |
| 198 | A | 94.5 | Very high | 90.9 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 31% | 0.314 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.3 | -47 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L194 L195 P196 V200 S201 L202 | L194-A198 WeakPolarHBondContact O-CB 2.95Å; L194-A198 PolarHBondContact O-N 2.99Å; L195-A198 PolarHBondContact O-N 3.11Å; P196-A198 VanDerWaalsContact C-N 3.32Å; P196-A198 PolarHBondContact O-N 3.37Å; A198-V200 PolarHBondContact O-N 2.87Å; A198-S201 PolarHBondContact O-N 2.85Å; A198-L202 WeakPolarHBondContact O-CB 3.48Å; A198-L202 WeakPolarHBondContact O-CG 3.12Å; A198-L202 PolarHBondContact O-N 3.32Å |
| 199 | V | 93.8 | Very high | 90.2 | Very high | 43 Ų | 43 | 47.4 Ų | 47.4 | 26% | 0.261 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.2 | -48 | 177.3 | 171 | 0 | 0 | 0 | 0 | 111 | A114 V118 L195 P196 A203 | A114-V199 HydrophobicContact CB-CB 4.25Å; A114-V199 HydrophobicContact CB-CG1 3.98Å; V118-V199 HydrophobicContact CG2-CG1 3.72Å; L195-V199 HydrophobicContact CD1-CG2 4.23Å; L195-V199 WeakPolarHBondContact O-CG2 3.41Å; L195-V199 PolarHBondContact O-N 3.25Å; P196-V199 PolarHBondContact O-N 2.96Å; V199-A203 WeakPolarHBondContact O-CB 2.92Å; V199-A203 PolarHBondContact O-N 3.32Å |
| 200 | V | 90 | Very high | 89.3 | Confident | 15 Ų | 15 | 48 Ų | 48 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56 | -55.7 | 174.9 | 167.2 | 0 | 0 | 0 | 0 | 110 | S117 P196 A198 L202 A203 Y204 A241 | S117-V200 WeakPolarHBondContact OG-CG2 3.08Å; P196-V200 WeakPolarHBondContact O-CB 3.29Å; P196-V200 WeakPolarHBondContact O-CG2 3.39Å; P196-V200 PolarHBondContact O-N 2.03Å; A198-V200 PolarHBondContact O-N 2.87Å; V200-L202 VanDerWaalsContact C-N 3.32Å; V200-L202 PolarHBondContact O-N 3.26Å; V200-A203 PolarHBondContact O-N 3.04Å; V200-Y204 HydrophobicContact CG1-CD2 3.68Å; V200-Y204 HydrophobicContact CG1-CE2 3.93Å; V200-Y204 WeakPolarHBondContact O-CB 3.4Å; V200-Y204 VanDerWaalsContact O-CD2 3.24Å; V200-Y204 WeakPolarHBondContact O-CD2 3.36Å; V200-Y204 PolarHBondContact O-N 3.34Å; V200-A241 HydrophobicContact CB-CB 4.5Å; V200-A241 HydrophobicContact CG1-CB 3.52Å; V200-A241 HydrophobicContact CG2-CB 4.11Å |
| 201 | S | 90 | Very high | 88.2 | Confident | 69 Ų | 69 | 46.6 Ų | 46.6 | 48% | 0.483 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.1 | -42.1 | -175.1 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | V197 A198 G205 | V197-S201 WeakPolarHBondContact O-CB 3.38Å; V197-S201 PolarHBondContact O-N 3.34Å; V197-S201 PolarHBondContact O-OG 2.91Å; A198-S201 PolarHBondContact O-N 2.85Å; S201-G205 WeakPolarHBondContact O-CA 3.49Å; S201-G205 PolarHBondContact O-N 3.48Å |
| 202 | L | 91.4 | Very high | 87.1 | Confident | 89 Ų | 89 | 53.9 Ų | 53.9 | 47% | 0.466 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -68.6 | -43.4 | 177.5 | -73.9 | 175.9 | 0 | 0 | 0 | 112.3 | A198 V200 R206 | A198-L202 WeakPolarHBondContact O-CB 3.48Å; A198-L202 WeakPolarHBondContact O-CG 3.12Å; A198-L202 PolarHBondContact O-N 3.32Å; V200-L202 VanDerWaalsContact C-N 3.32Å; V200-L202 PolarHBondContact O-N 3.26Å; L202-R206 VanDerWaalsContact O-CB 3.3Å; L202-R206 WeakPolarHBondContact O-CB 3.43Å; L202-R206 VanDerWaalsContact O-CG 3.26Å; L202-R206 WeakPolarHBondContact O-CG 3.42Å; L202-R206 PolarHBondContact O-N 2.94Å |
| 203 | A | 88.5 | Confident | 86.1 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 7% | 0.066 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -53.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | V199 V200 R206 T207 | V199-A203 WeakPolarHBondContact O-CB 2.92Å; V199-A203 PolarHBondContact O-N 3.32Å; V200-A203 PolarHBondContact O-N 3.04Å; A203-R206 PolarHBondContact O-N 3.45Å; A203-T207 PolarHBondContact O-N 3.44Å; A203-T207 PolarHBondContact O-OG1 3.3Å; A203-T207 VanDerWaalsContact O-OG1 3.07Å |
| 204 | Y | 82.1 | Confident | 84.7 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 7% | 0.071 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68.4 | -39.9 | 179.6 | -76.3 | -68.9 | 0 | 0 | 0 | 112.7 | S117 V200 R206 T207 L208 M237 L238 A241 | S117-Y204 WeakPolarHBondContact OG-CE2 3.47Å; V200-Y204 HydrophobicContact CG1-CD2 3.68Å; V200-Y204 HydrophobicContact CG1-CE2 3.93Å; V200-Y204 WeakPolarHBondContact O-CB 3.4Å; V200-Y204 VanDerWaalsContact O-CD2 3.24Å; V200-Y204 WeakPolarHBondContact O-CD2 3.36Å; V200-Y204 PolarHBondContact O-N 3.34Å; Y204-R206 VanDerWaalsContact C-N 3.32Å; Y204-R206 PolarHBondContact O-N 2.99Å; Y204-T207 PolarHBondContact O-N 3.49Å; Y204-L208 WeakPolarHBondContact O-CB 3.35Å; Y204-L208 VanDerWaalsContact O-CG 3.3Å; Y204-L208 WeakPolarHBondContact O-CG 3.45Å; Y204-L208 PolarHBondContact O-N 2.96Å; Y204-M237 VanDerWaalsContact OH-C 3.32Å; Y204-M237 VanDerWaalsContact OH-CB 3.27Å; Y204-M237 WeakPolarHBondContact OH-CB 3.2Å; Y204-L238 HydrophobicContact CD1-CB 4.38Å; Y204-L238 HydrophobicContact CD1-CD1 4.01Å; Y204-L238 HydrophobicContact CD2-CD1 3.79Å; Y204-L238 HydrophobicContact CE1-CB 3.88Å; Y204-L238 HydrophobicContact CE1-CD1 4.24Å; Y204-L238 HydrophobicContact CE2-CB 4.48Å; Y204-L238 HydrophobicContact CE2-CD1 4.05Å; Y204-L238 HydrophobicContact CG-CD1 3.78Å; Y204-L238 PolarHBondContact OH-N 3.33Å; Y204-L238 VanDerWaalsContact OH-N 3.17Å; Y204-A241 HydrophobicContact CE2-CB 4.42Å |
| 205 | G | 84.4 | Confident | 83 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 27% | 0.268 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S201 R209 | S201-G205 WeakPolarHBondContact O-CA 3.49Å; S201-G205 PolarHBondContact O-N 3.48Å; G205-R209 WeakPolarHBondContact O-CB 3.47Å; G205-R209 WeakPolarHBondContact O-CG 3.3Å; G205-R209 PolarHBondContact O-N 2.95Å; G205-R209 PolarHBondContact O-NE 3.05Å |
| 206 | R | 86 | Confident | 81.3 | Confident | 111 Ų | 111 | 55.6 Ų | 55.6 | 42% | 0.419 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.2 | -41.3 | 172.7 | -75.3 | -175.7 | 174.4 | 97.4 | -1.2 | 112.2 | Y121 L202 A203 Y204 R209 F210 | Y121-R206 HydrophobicContact CD2-CB 4.14Å; Y121-R206 HydrophobicContact CE2-CB 3.63Å; L202-R206 VanDerWaalsContact O-CB 3.3Å; L202-R206 WeakPolarHBondContact O-CB 3.43Å; L202-R206 VanDerWaalsContact O-CG 3.26Å; L202-R206 WeakPolarHBondContact O-CG 3.42Å; L202-R206 PolarHBondContact O-N 2.94Å; A203-R206 PolarHBondContact O-N 3.45Å; Y204-R206 VanDerWaalsContact C-N 3.32Å; Y204-R206 PolarHBondContact O-N 2.99Å; R206-R209 PolarHBondContact O-N 3.49Å; R206-F210 WeakPolarHBondContact O-CB 3.32Å; R206-F210 PolarHBondContact O-N 3.26Å |
| 207 | T | 80.2 | Confident | 79.6 | Confident | 6 Ų | 6 | 62 Ų | 62 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.5 | -49.4 | 174 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | V124 A203 Y204 F210 L211 | V124-T207 HydrophobicContact CB-CG2 4.1Å; V124-T207 HydrophobicContact CG1-CG2 3.9Å; V124-T207 HydrophobicContact CG2-CG2 4.14Å; A203-T207 PolarHBondContact O-N 3.44Å; A203-T207 PolarHBondContact O-OG1 3.3Å; A203-T207 VanDerWaalsContact O-OG1 3.07Å; Y204-T207 PolarHBondContact O-N 3.49Å; T207-F210 PolarHBondContact O-N 2.82Å; T207-L211 HydrophobicContact CG2-CD1 4.04Å; T207-L211 VanDerWaalsContact O-CG 3.25Å; T207-L211 WeakPolarHBondContact O-CG 3.25Å; T207-L211 PolarHBondContact O-N 3.14Å |
| 208 | L | 78 | Confident | 78.2 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 32% | 0.319 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.1 | -48.2 | 179.2 | -70.7 | 170.8 | 0 | 0 | 0 | 111.2 | Y204 F210 L211 W212 | Y204-L208 WeakPolarHBondContact O-CB 3.35Å; Y204-L208 VanDerWaalsContact O-CG 3.3Å; Y204-L208 WeakPolarHBondContact O-CG 3.45Å; Y204-L208 PolarHBondContact O-N 2.96Å; L208-F210 VanDerWaalsContact C-N 3.33Å; L208-F210 PolarHBondContact O-N 2.95Å; L208-L211 CarbonylContact O-C 3.28Å; L208-L211 PolarHBondContact O-N 2.8Å; L208-L211 VanDerWaalsContact O-N 3.12Å; L208-W212 PolarHBondContact O-N 3.2Å |
| 209 | R | 81.5 | Confident | 76.7 | Confident | 154 Ų | 154 | 65.9 Ų | 65.9 | 58% | 0.581 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -58.6 | -43.2 | 177.2 | -78.6 | -173 | -68.2 | 162.6 | -8.6 | 112.5 | G205 R206 L211 W212 A213 | G205-R209 WeakPolarHBondContact O-CB 3.47Å; G205-R209 WeakPolarHBondContact O-CG 3.3Å; G205-R209 PolarHBondContact O-N 2.95Å; G205-R209 PolarHBondContact O-NE 3.05Å; R206-R209 PolarHBondContact O-N 3.49Å; R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L211 PolarHBondContact O-N 3Å; R209-W212 PolarHBondContact O-N 3.24Å; R209-A213 WeakPolarHBondContact O-CB 3.37Å; R209-A213 PolarHBondContact O-N 3.36Å |
| 210 | F | 77.4 | Confident | 75.1 | Confident | 58 Ų | 58 | 68 Ų | 68 | 25% | 0.254 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.8 | -42.7 | 175.1 | 172.6 | -117.4 | 0 | 0 | 0 | 111.7 | V124 R125 R206 T207 L208 W212 A213 A214 | V124-F210 HydrophobicContact CG1-CD1 4.24Å; V124-F210 HydrophobicContact CG1-CE1 4.49Å; R125-F210 VanDerWaalsContact CZ-CD2 3.48Å; R125-F210 VanDerWaalsContact NH1-CD2 3.28Å; R206-F210 WeakPolarHBondContact O-CB 3.32Å; R206-F210 PolarHBondContact O-N 3.26Å; T207-F210 PolarHBondContact O-N 2.82Å; L208-F210 VanDerWaalsContact C-N 3.33Å; L208-F210 PolarHBondContact O-N 2.95Å; F210-W212 VanDerWaalsContact C-N 3.31Å; F210-W212 PolarHBondContact O-N 3.4Å; F210-A213 PolarHBondContact O-N 3.32Å; F210-A214 HydrophobicContact CE2-CB 4.14Å; F210-A214 HydrophobicContact CZ-CB 4.42Å; F210-A214 WeakPolarHBondContact O-CB 3.34Å; F210-A214 PolarHBondContact O-N 2.78Å |
| 211 | L | 72.8 | Confident | 73.7 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 7% | 0.073 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -68.3 | -28.2 | 176.6 | -66.4 | 174.6 | 0 | 0 | 0 | 113.7 | V124 T207 L208 R209 V215 A229 T230 | V124-L211 HydrophobicContact CG1-CD2 4.2Å; V124-L211 HydrophobicContact CG1-CG 4.49Å; T207-L211 HydrophobicContact CG2-CD1 4.04Å; T207-L211 VanDerWaalsContact O-CG 3.25Å; T207-L211 WeakPolarHBondContact O-CG 3.25Å; T207-L211 PolarHBondContact O-N 3.14Å; L208-L211 CarbonylContact O-C 3.28Å; L208-L211 PolarHBondContact O-N 2.8Å; L208-L211 VanDerWaalsContact O-N 3.12Å; R209-L211 VanDerWaalsContact C-N 3.32Å; R209-L211 PolarHBondContact O-N 3Å; L211-V215 WeakPolarHBondContact O-CG2 3.44Å; L211-A229 HydrophobicContact CD1-CB 4.26Å; L211-A229 HydrophobicContact CD2-CB 3.34Å; L211-A229 HydrophobicContact CG-CB 4.43Å; L211-T230 HydrophobicContact CD1-CG2 4.32Å; L211-T230 WeakPolarHBondContact CD1-OG1 3.2Å |
| 212 | W | 71.9 | Confident | 72 | Confident | 164 Ų | 164 | 69.1 Ų | 69.1 | 62% | 0.621 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -77.2 | -40 | 172.6 | -73.4 | 114.8 | 0 | 0 | 0 | 111.6 | L208 R209 F210 V215 R226 | L208-W212 PolarHBondContact O-N 3.2Å; R209-W212 PolarHBondContact O-N 3.24Å; F210-W212 VanDerWaalsContact C-N 3.31Å; F210-W212 PolarHBondContact O-N 3.4Å; W212-V215 PolarHBondContact O-N 2.9Å; W212-R226 VanDerWaalsContact CE2-CZ 3.42Å; W212-R226 VanDerWaalsContact CG-NH1 3.28Å; W212-R226 VanDerWaalsContact CZ2-NH2 3.33Å |
| 213 | A | 73.1 | Confident | 70.6 | Confident | 88 Ų | 88 | 67.6 Ų | 67.6 | 73% | 0.727 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -77.7 | -30.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R209 F210 V215 | R209-A213 WeakPolarHBondContact O-CB 3.37Å; R209-A213 PolarHBondContact O-N 3.36Å; F210-A213 PolarHBondContact O-N 3.32Å; A213-V215 PolarHBondContact O-N 3.3Å; A213-V215 VanDerWaalsContact O-N 3.17Å |
| 214 | A | 65.4 | Low | 69.3 | Low | 68 Ų | 68 | 71.1 Ų | 71.1 | 56% | 0.562 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -0.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | F210 | F210-A214 HydrophobicContact CE2-CB 4.14Å; F210-A214 HydrophobicContact CZ-CB 4.42Å; F210-A214 WeakPolarHBondContact O-CB 3.34Å; F210-A214 PolarHBondContact O-N 2.78Å |
| 215 | V | 60.2 | Low | 68.1 | Low | 51 Ų | 51 | 72.6 Ų | 72.6 | 31% | 0.309 | 47% | 0.468 | S | S | . | . | trans | -130 | 102.9 | -171.6 | 173.1 | 0 | 0 | 0 | 0 | 107.8 | L211 W212 A213 A222 | L211-V215 WeakPolarHBondContact O-CG2 3.44Å; W212-V215 PolarHBondContact O-N 2.9Å; A213-V215 PolarHBondContact O-N 3.3Å; A213-V215 VanDerWaalsContact O-N 3.17Å; V215-A222 HydrophobicContact CG1-CB 3.37Å | ||
| 216 | G | 59 | Low | 66.9 | Low | 55 Ų | 55 | 74.1 Ų | 74.1 | 57% | 0.567 | 47% | 0.466 | S | S | * | . | trans | -64.6 | 175 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A218 | G216-A218 PolarHBondContact O-N 3.45Š| ||
| 217 | P | 58.5 | Low | 65.8 | Low | 135 Ų | 135 | 76.8 Ų | 76.8 | 88% | 0.877 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -67.5 | 133.6 | -177.2 | -8.8 | 24 | 0 | 0 | 0 | 111.2 | ||
| 218 | A | 64.4 | Low | 64.8 | Low | 103 Ų | 103 | 85.1 Ų | 85.1 | 85% | 0.851 | 51% | 0.506 | S | S | * | . | trans | 87.8 | 129.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | G216 | G216-A218 PolarHBondContact O-N 3.45Š| ||
| 219 | G | 61.2 | Low | 63.7 | Low | 47 Ų | 47 | 84.1 Ų | 84.1 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | trans | 134.6 | 138.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A221 A222 | G219-A221 PolarHBondContact O-N 3.34Å; G219-A222 WeakPolarHBondContact O-CB 3.47Å; G219-A222 PolarHBondContact O-N 2.79Å | ||
| 220 | A | 61.6 | Low | 62.7 | Low | 89 Ų | 89 | 78.2 Ų | 78.2 | 74% | 0.736 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -53.9 | -25.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A222 A223 E224 | A220-A222 VanDerWaalsContact C-N 3.3Å; A220-A222 PolarHBondContact O-N 3.09Å; A220-A223 PolarHBondContact O-N 3.47Å; A220-E224 WeakPolarHBondContact O-CB 3.27Å; A220-E224 PolarHBondContact O-N 3.15Å |
| 221 | A | 59.4 | Low | 62.1 | Low | 79 Ų | 79 | 76.7 Ų | 76.7 | 65% | 0.653 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.6 | -33.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G219 E224 A225 | G219-A221 PolarHBondContact O-N 3.34Å; A221-E224 PolarHBondContact O-N 2.92Å; A221-A225 WeakPolarHBondContact O-CB 3.43Å; A221-A225 PolarHBondContact O-N 3.25Å |
| 222 | A | 55.6 | Low | 61.9 | Low | 27 Ų | 27 | 81.5 Ų | 81.5 | 22% | 0.223 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | V215 G219 A220 E224 R226 | V215-A222 HydrophobicContact CG1-CB 3.37Å; G219-A222 WeakPolarHBondContact O-CB 3.47Å; G219-A222 PolarHBondContact O-N 2.79Å; A220-A222 VanDerWaalsContact C-N 3.3Å; A220-A222 PolarHBondContact O-N 3.09Å; A222-E224 VanDerWaalsContact C-N 3.29Å; A222-E224 PolarHBondContact O-N 3.45Å; A222-R226 WeakPolarHBondContact O-CB 3.44Å; A222-R226 PolarHBondContact O-N 3.46Å |
| 223 | A | 60.9 | Low | 61.7 | Low | 58 Ų | 58 | 75.8 Ų | 75.8 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A220 R227 | A220-A223 PolarHBondContact O-N 3.47Å; A223-R227 WeakPolarHBondContact O-CB 3.45Å; A223-R227 WeakPolarHBondContact O-CG 3.48Å; A223-R227 PolarHBondContact O-N 3.37Å |
| 224 | E | 60.8 | Low | 61.6 | Low | 82 Ų | 82 | 72.1 Ų | 72.1 | 38% | 0.383 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -73.2 | -42.5 | 177.9 | -165.9 | 66.7 | -164.3 | 0 | 0 | 112.3 | A220 A221 A222 R226 R227 R228 | A220-E224 WeakPolarHBondContact O-CB 3.27Å; A220-E224 PolarHBondContact O-N 3.15Å; A221-E224 PolarHBondContact O-N 2.92Å; A222-E224 VanDerWaalsContact C-N 3.29Å; A222-E224 PolarHBondContact O-N 3.45Å; E224-R226 VanDerWaalsContact C-N 3.34Å; E224-R226 PolarHBondContact O-N 3.18Å; E224-R227 WeakPolarHBondContact O-CB 3.46Å; E224-R227 PolarHBondContact O-N 3.32Å; E224-R228 VanDerWaalsContact CG-NH2 3.34Å; E224-R228 WeakPolarHBondContact O-CG 3.46Å; E224-R228 PolarHBondContact O-N 3.17Å; E224-R228 IonicContact OE1-CZ 2.79Å; E224-R228 IonicContact OE1-NE 3.51Å; E224-R228 IonicContact OE1-NH2 3.32Å; E224-R228 PolarHBondContact OE1-NH2 3.08Å; E224-R228 VanDerWaalsContact OE1-NH2 3.16Å |
| 225 | A | 57 | Low | 62.1 | Low | 48 Ų | 48 | 75.9 Ų | 75.9 | 40% | 0.397 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A221 R228 A229 | A221-A225 WeakPolarHBondContact O-CB 3.43Å; A221-A225 PolarHBondContact O-N 3.25Å; A225-R228 PolarHBondContact O-N 3.31Å; A225-A229 WeakPolarHBondContact O-CB 3.38Å; A225-A229 PolarHBondContact O-N 2.85Å |
| 226 | R | 60.4 | Low | 63 | Low | 59 Ų | 59 | 73.5 Ų | 73.5 | 22% | 0.223 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 173.3 | -169.9 | 167.7 | -177.3 | 123.7 | -7.2 | 112.5 | W212 A222 E224 R228 T230 | W212-R226 VanDerWaalsContact CE2-CZ 3.42Å; W212-R226 VanDerWaalsContact CG-NH1 3.28Å; W212-R226 VanDerWaalsContact CZ2-NH2 3.33Å; A222-R226 WeakPolarHBondContact O-CB 3.44Å; A222-R226 PolarHBondContact O-N 3.46Å; E224-R226 VanDerWaalsContact C-N 3.34Å; E224-R226 PolarHBondContact O-N 3.18Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R226-T230 WeakPolarHBondContact O-CB 3.35Å; R226-T230 PolarHBondContact O-N 3.49Å; R226-T230 PolarHBondContact O-OG1 3.31Å |
| 227 | R | 61.5 | Low | 63.9 | Low | 167 Ų | 167 | 71.4 Ų | 71.4 | 63% | 0.63 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.6 | -35.9 | 173.4 | -87.4 | 178.5 | 170.1 | -124 | 0 | 113 | A223 E224 G231 | A223-R227 WeakPolarHBondContact O-CB 3.45Å; A223-R227 WeakPolarHBondContact O-CG 3.48Å; A223-R227 PolarHBondContact O-N 3.37Å; E224-R227 WeakPolarHBondContact O-CB 3.46Å; E224-R227 PolarHBondContact O-N 3.32Å; R227-G231 WeakPolarHBondContact O-CA 3.47Å; R227-G231 PolarHBondContact O-N 3.05Å |
| 228 | R | 59.3 | Low | 65 | Low | 180 Ų | 180 | 68.3 Ų | 68.3 | 68% | 0.679 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -71.9 | -45.8 | 176.4 | -73.1 | 179.8 | -175.2 | 124.9 | 8 | 111.7 | E224 A225 R226 G231 | E224-R228 VanDerWaalsContact CG-NH2 3.34Å; E224-R228 WeakPolarHBondContact O-CG 3.46Å; E224-R228 PolarHBondContact O-N 3.17Å; E224-R228 IonicContact OE1-CZ 2.79Å; E224-R228 IonicContact OE1-NE 3.51Å; E224-R228 IonicContact OE1-NH2 3.32Å; E224-R228 PolarHBondContact OE1-NH2 3.08Å; E224-R228 VanDerWaalsContact OE1-NH2 3.16Å; A225-R228 PolarHBondContact O-N 3.31Å; R226-R228 VanDerWaalsContact C-N 3.34Å; R228-G231 PolarHBondContact O-N 3.44Å |
| 229 | A | 55.1 | Low | 66 | Low | 40 Ų | 40 | 65.3 Ų | 65.3 | 33% | 0.331 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -74.3 | -38.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V124 L211 A225 G231 | V124-A229 HydrophobicContact CG1-CB 4.36Å; V124-A229 WeakPolarHBondContact CG2-O 3.17Å; L211-A229 HydrophobicContact CD1-CB 4.26Å; L211-A229 HydrophobicContact CD2-CB 3.34Å; L211-A229 HydrophobicContact CG-CB 4.43Å; A225-A229 WeakPolarHBondContact O-CB 3.38Å; A225-A229 PolarHBondContact O-N 2.85Å; A229-G231 PolarHBondContact O-N 3.42Å |
| 230 | T | 60.3 | Low | 67.2 | Low | 31 Ų | 31 | 63.1 Ų | 63.1 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 44.2 | 170.4 | -0.1 | 0 | 0 | 0 | 0 | 110.6 | L211 R226 | L211-T230 HydrophobicContact CD1-CG2 4.32Å; L211-T230 WeakPolarHBondContact CD1-OG1 3.2Å; R226-T230 WeakPolarHBondContact O-CB 3.35Å; R226-T230 PolarHBondContact O-N 3.49Å; R226-T230 PolarHBondContact O-OG1 3.31Å |
| 231 | G | 66.2 | Low | 68.3 | Low | 25 Ų | 25 | 59 Ų | 59 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | trans | -45 | 155.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R227 R228 A229 A233 G234 R235 | R227-G231 WeakPolarHBondContact O-CA 3.47Å; R227-G231 PolarHBondContact O-N 3.05Å; R228-G231 PolarHBondContact O-N 3.44Å; A229-G231 PolarHBondContact O-N 3.42Å; G231-A233 CarbonylContact O-C 3.53Å; G231-A233 PolarHBondContact O-N 2.93Å; G231-G234 WeakPolarHBondContact O-CA 3.28Å; G231-G234 PolarHBondContact O-N 3.27Å; G231-R235 PolarHBondContact O-N 2.81Å | ||
| 232 | R | 68.9 | Low | 69.7 | Low | 115 Ų | 115 | 57.5 Ų | 57.5 | 43% | 0.434 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -50.1 | -32 | -172.8 | -70.3 | 179 | 176 | 94.4 | -0.7 | 114.1 | R235 A236 | R232-R235 PolarHBondContact O-N 2.98Å; R232-A236 PolarHBondContact O-N 3.36Å |
| 233 | A | 66 | Low | 71.4 | Confident | 45 Ų | 45 | 57.5 Ų | 57.5 | 37% | 0.372 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G231 A236 M237 | G231-A233 CarbonylContact O-C 3.53Å; G231-A233 PolarHBondContact O-N 2.93Å; A233-A236 WeakPolarHBondContact O-CB 3.18Å; A233-A236 PolarHBondContact O-N 2.92Å; A233-M237 WeakPolarHBondContact O-CG 3.45Å; A233-M237 PolarHBondContact O-N 3.47Å |
| 234 | G | 71.8 | Confident | 72.9 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G231 M237 L238 | G231-G234 WeakPolarHBondContact O-CA 3.28Å; G231-G234 PolarHBondContact O-N 3.27Å; G234-M237 PolarHBondContact O-N 2.84Å; G234-L238 PolarHBondContact O-N 3.49Å |
| 235 | R | 76.2 | Confident | 74.4 | Confident | 146 Ų | 146 | 52.1 Ų | 52.1 | 55% | 0.551 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61.8 | -41.1 | 170.6 | -80.1 | 171.4 | 26.5 | 138.8 | 3.6 | 112.8 | G231 R232 M237 L238 A239 | G231-R235 PolarHBondContact O-N 2.81Å; R232-R235 PolarHBondContact O-N 2.98Å; R235-M237 VanDerWaalsContact C-N 3.35Å; R235-L238 PolarHBondContact O-N 2.9Å; R235-A239 WeakPolarHBondContact O-CB 3.42Å; R235-A239 PolarHBondContact O-N 3.3Å |
| 236 | A | 79.3 | Confident | 76.1 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R232 A233 L238 A239 V240 A294 | R232-A236 PolarHBondContact O-N 3.36Å; A233-A236 WeakPolarHBondContact O-CB 3.18Å; A233-A236 PolarHBondContact O-N 2.92Å; A236-L238 PolarHBondContact O-N 3.5Å; A236-A239 WeakPolarHBondContact O-CB 3.49Å; A236-A239 PolarHBondContact O-N 3.43Å; A236-V240 WeakPolarHBondContact O-CG2 3.44Å; A236-V240 PolarHBondContact O-N 3.46Å; A236-A294 HydrophobicContact CB-CB 3.48Å; A236-A294 VanDerWaalsContact CB-CB 3.48Å |
| 237 | M | 77.6 | Confident | 77.8 | Confident | 11 Ų | 11 | 53.2 Ų | 53.2 | 5% | 0.054 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 177.8 | -60.6 | -55.2 | 108.1 | 0 | 0 | 112.4 | T57 I61 V116 Y204 A233 G234 R235 A239 V240 A241 Y291 | T57-M237 HydrophobicContact CG2-SD 4.46Å; I61-M237 HydrophobicContact CD1-CE 3.87Å; I61-M237 HydrophobicContact CG1-CE 4.24Å; V116-M237 HydrophobicContact CG1-CB 3.91Å; V116-M237 HydrophobicContact CG1-CG 3.64Å; V116-M237 HydrophobicContact CG1-SD 3.65Å; Y204-M237 VanDerWaalsContact OH-C 3.32Å; Y204-M237 VanDerWaalsContact OH-CB 3.27Å; Y204-M237 WeakPolarHBondContact OH-CB 3.2Å; A233-M237 WeakPolarHBondContact O-CG 3.45Å; A233-M237 PolarHBondContact O-N 3.47Å; G234-M237 PolarHBondContact O-N 2.84Å; R235-M237 VanDerWaalsContact C-N 3.35Å; M237-A239 VanDerWaalsContact C-N 3.33Å; M237-A239 PolarHBondContact O-N 3.3Å; M237-V240 PolarHBondContact O-N 3.46Å; M237-A241 PolarHBondContact O-N 3.45Å; M237-Y291 HydrophobicContact CE-CD1 4.01Å; M237-Y291 HydrophobicContact CE-CE1 3.59Å |
| 238 | L | 80.9 | Confident | 79.3 | Confident | 71 Ų | 71 | 46 Ų | 46 | 37% | 0.372 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 173.6 | 176.8 | 62.8 | 0 | 0 | 0 | 111.3 | Y204 G234 R235 A236 V240 A241 A242 | Y204-L238 HydrophobicContact CD1-CB 4.38Å; Y204-L238 HydrophobicContact CD1-CD1 4.01Å; Y204-L238 HydrophobicContact CD2-CD1 3.79Å; Y204-L238 HydrophobicContact CE1-CB 3.88Å; Y204-L238 HydrophobicContact CE1-CD1 4.24Å; Y204-L238 HydrophobicContact CE2-CB 4.48Å; Y204-L238 HydrophobicContact CE2-CD1 4.05Å; Y204-L238 HydrophobicContact CG-CD1 3.78Å; Y204-L238 PolarHBondContact OH-N 3.33Å; Y204-L238 VanDerWaalsContact OH-N 3.17Å; G234-L238 PolarHBondContact O-N 3.49Å; R235-L238 PolarHBondContact O-N 2.9Å; A236-L238 PolarHBondContact O-N 3.5Å; L238-V240 VanDerWaalsContact C-N 3.34Å; L238-V240 PolarHBondContact O-N 3.4Å; L238-A241 PolarHBondContact O-N 2.83Å; L238-A242 WeakPolarHBondContact O-CB 3.36Å; L238-A242 PolarHBondContact O-N 3.48Å |
| 239 | A | 86.6 | Confident | 81 | Confident | 40 Ų | 40 | 38 Ų | 38 | 33% | 0.331 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R235 A236 M237 A242 L243 V290 | R235-A239 WeakPolarHBondContact O-CB 3.42Å; R235-A239 PolarHBondContact O-N 3.3Å; A236-A239 WeakPolarHBondContact O-CB 3.49Å; A236-A239 PolarHBondContact O-N 3.43Å; M237-A239 VanDerWaalsContact C-N 3.33Å; M237-A239 PolarHBondContact O-N 3.3Å; A239-A242 PolarHBondContact O-N 3.33Å; A239-L243 VanDerWaalsContact O-CB 3.25Å; A239-L243 WeakPolarHBondContact O-CB 3.43Å; A239-L243 PolarHBondContact O-N 3.13Å; A239-V290 HydrophobicContact CB-CG1 3.53Å |
| 240 | V | 85.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66 | -41.3 | 173.8 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | L64 L113 A236 M237 L238 L243 Y244 N287 V290 Y291 | L64-V240 HydrophobicContact CD2-CG1 4.33Å; L113-V240 HydrophobicContact CD2-CB 4.25Å; L113-V240 HydrophobicContact CD2-CG1 3.45Å; L113-V240 VanDerWaalsContact CD2-CG1 3.45Å; A236-V240 WeakPolarHBondContact O-CG2 3.44Å; A236-V240 PolarHBondContact O-N 3.46Å; M237-V240 PolarHBondContact O-N 3.46Å; L238-V240 VanDerWaalsContact C-N 3.34Å; L238-V240 PolarHBondContact O-N 3.4Å; V240-L243 WeakPolarHBondContact O-CB 3.26Å; V240-L243 PolarHBondContact O-N 3.16Å; V240-Y244 PolarHBondContact O-N 3.04Å; V240-N287 WeakPolarHBondContact CG1-OD1 3.45Å; V240-V290 HydrophobicContact CG2-CB 3.85Å; V240-V290 HydrophobicContact CG2-CG1 3.5Å; V240-V290 HydrophobicContact CG2-CG2 4.46Å; V240-Y291 HydrophobicContact CG2-CD1 4.15Å; V240-Y291 HydrophobicContact CG2-CE1 3.5Å; V240-Y291 VanDerWaalsContact CG2-CE1 3.5Å |
| 241 | A | 84.6 | Confident | 84.5 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.5 | -37.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V200 Y204 M237 L238 Y244 A245 | V200-A241 HydrophobicContact CB-CB 4.5Å; V200-A241 HydrophobicContact CG1-CB 3.52Å; V200-A241 HydrophobicContact CG2-CB 4.11Å; Y204-A241 HydrophobicContact CE2-CB 4.42Å; M237-A241 PolarHBondContact O-N 3.45Å; L238-A241 PolarHBondContact O-N 2.83Å; A241-Y244 PolarHBondContact O-N 3.22Å; A241-A245 PolarHBondContact O-N 3.42Å; A241-A245 VanDerWaalsContact O-N 3.11Å |
| 242 | A | 89 | Confident | 85.9 | Confident | 46 Ų | 46 | 37.2 Ų | 37.2 | 38% | 0.38 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.1 | -43.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L238 A239 Y244 A245 L246 | L238-A242 WeakPolarHBondContact O-CB 3.36Å; L238-A242 PolarHBondContact O-N 3.48Å; A239-A242 PolarHBondContact O-N 3.33Å; A242-Y244 VanDerWaalsContact C-N 3.31Å; A242-Y244 PolarHBondContact O-N 2.97Å; A242-A245 PolarHBondContact O-N 3.21Å; A242-L246 WeakPolarHBondContact O-CB 3.43Å; A242-L246 VanDerWaalsContact O-CG 3.27Å; A242-L246 WeakPolarHBondContact O-CG 3.34Å; A242-L246 PolarHBondContact O-N 3.28Å |
| 243 | L | 91.8 | Very high | 87.1 | Confident | 27 Ų | 27 | 34.1 Ų | 34.1 | 14% | 0.141 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.9 | -47 | 174 | 172.1 | 65.9 | 0 | 0 | 0 | 111 | A239 V240 A245 L246 C247 L286 V290 | A239-L243 VanDerWaalsContact O-CB 3.25Å; A239-L243 WeakPolarHBondContact O-CB 3.43Å; A239-L243 PolarHBondContact O-N 3.13Å; V240-L243 WeakPolarHBondContact O-CB 3.26Å; V240-L243 PolarHBondContact O-N 3.16Å; L243-A245 PolarHBondContact O-N 3.48Å; L243-L246 PolarHBondContact O-N 3.31Å; L243-C247 VanDerWaalsContact CD1-SG 3.59Å; L243-C247 VanDerWaalsContact O-CB 3.3Å; L243-C247 WeakPolarHBondContact O-CB 3.4Å; L243-C247 PolarHBondContact O-N 3.16Å; L243-C247 PolarHBondContact O-SG 3.3Å; L243-L286 HydrophobicContact CD1-CB 3.98Å; L243-L286 HydrophobicContact CD1-CD1 3.72Å; L243-L286 HydrophobicContact CD1-CG 4.5Å; L243-L286 HydrophobicContact CD2-CB 3.51Å; L243-L286 HydrophobicContact CG-CB 4.3Å; L243-V290 HydrophobicContact CD2-CG2 3.78Å |
| 244 | Y | 91.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.5 | -50.3 | 175.4 | 175.2 | -93.8 | 0 | 0 | 0 | 112.4 | S110 L113 G192 Y193 V197 V240 A241 A242 L246 C247 W248 N283 | S110-Y244 VanDerWaalsContact OG-CZ 3.28Å; S110-Y244 PolarHBondContact OG-OH 2.88Å; S110-Y244 VanDerWaalsContact OG-OH 3.05Å; L113-Y244 HydrophobicContact CD1-CD1 4.16Å; L113-Y244 HydrophobicContact CD1-CD2 3.64Å; L113-Y244 HydrophobicContact CD1-CG 3.43Å; L113-Y244 VanDerWaalsContact CD1-CG 3.43Å; G192-Y244 PolarHBondContact O-OH 3.41Å; Y193-Y244 HydrophobicContact CD2-CE1 4.16Å; V197-Y244 HydrophobicContact CG2-CD1 4.5Å; V197-Y244 HydrophobicContact CG2-CE1 4.37Å; V240-Y244 PolarHBondContact O-N 3.04Å; A241-Y244 PolarHBondContact O-N 3.22Å; A242-Y244 VanDerWaalsContact C-N 3.31Å; A242-Y244 PolarHBondContact O-N 2.97Å; Y244-L246 VanDerWaalsContact C-N 3.3Å; Y244-L246 PolarHBondContact O-N 2.99Å; Y244-C247 PolarHBondContact O-N 3.23Å; Y244-W248 AromaticContact CD2-CD1 3.35Å; Y244-W248 HydrophobicContact CD2-CG 4.26Å; Y244-W248 AromaticContact CD2-NE1 3.72Å; Y244-W248 HydrophobicContact CE2-CB 4.49Å; Y244-W248 AromaticContact CE2-CD1 3.19Å; Y244-W248 HydrophobicContact CE2-CD2 4.32Å; Y244-W248 AromaticContact CE2-CG 3.76Å; Y244-W248 HydrophobicContact CE2-CG 3.76Å; Y244-W248 AromaticContact CE2-NE1 3.44Å; Y244-W248 AromaticContact CZ-CD1 3.85Å; Y244-W248 AromaticContact CZ-CG 4Å; Y244-W248 WeakPolarHBondContact O-CB 3.14Å; Y244-W248 PolarHBondContact O-N 2.93Å; Y244-N283 WeakPolarHBondContact CA-OD1 3.32Å |
| 245 | A | 92 | Very high | 89.2 | Confident | 24 Ų | 24 | 35 Ų | 35 | 20% | 0.198 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -39.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y193 V197 A241 A242 L243 G249 | Y193-A245 WeakPolarHBondContact CE2-O 3.36Å; Y193-A245 PolarHBondContact OH-O 2.95Å; V197-A245 HydrophobicContact CG2-CB 4.09Å; A241-A245 PolarHBondContact O-N 3.42Å; A241-A245 VanDerWaalsContact O-N 3.11Å; A242-A245 PolarHBondContact O-N 3.21Å; L243-A245 PolarHBondContact O-N 3.48Å; A245-G249 WeakPolarHBondContact O-CA 3.34Å; A245-G249 PolarHBondContact O-N 3.07Å |
| 246 | L | 94 | Very high | 90 | Very high | 127 Ų | 127 | 30.1 Ų | 30.1 | 67% | 0.665 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -73 | -37.9 | 178.7 | -69.4 | 171.3 | 0 | 0 | 0 | 112.5 | A242 L243 Y244 P250 | A242-L246 WeakPolarHBondContact O-CB 3.43Å; A242-L246 VanDerWaalsContact O-CG 3.27Å; A242-L246 WeakPolarHBondContact O-CG 3.34Å; A242-L246 PolarHBondContact O-N 3.28Å; L243-L246 PolarHBondContact O-N 3.31Å; Y244-L246 VanDerWaalsContact C-N 3.3Å; Y244-L246 PolarHBondContact O-N 2.99Å; L246-P250 WeakPolarHBondContact O-CD 3.36Å |
| 247 | C | 95 | Very high | 90.6 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74 | -42 | -178.7 | -80.1 | 0 | 0 | 0 | 0 | 112.5 | L243 Y244 L279 A280 N283 | L243-C247 VanDerWaalsContact CD1-SG 3.59Å; L243-C247 VanDerWaalsContact O-CB 3.3Å; L243-C247 WeakPolarHBondContact O-CB 3.4Å; L243-C247 PolarHBondContact O-N 3.16Å; L243-C247 PolarHBondContact O-SG 3.3Å; Y244-C247 PolarHBondContact O-N 3.23Å; C247-L279 HydrophobicContact CB-CG 4.48Å; C247-L279 WeakPolarHBondContact CB-O 3.36Å; C247-L279 PolarHBondContact SG-O 3.26Å; C247-A280 WeakPolarHBondContact O-CA 3.45Å; C247-A280 PolarHBondContact O-N 3.28Å; C247-N283 HydrophobicContact CB-CB 3.8Å |
| 248 | W | 94.4 | Very high | 91.1 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 6% | 0.057 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -88.2 | -26.1 | -176.2 | -76.5 | 89.8 | 0 | 0 | 0 | 113.9 | M106 Y193 Y244 H251 H252 A280 | M106-W248 HydrophobicContact CB-CH2 3.83Å; M106-W248 HydrophobicContact CB-CZ2 4.09Å; M106-W248 HydrophobicContact CG-CE3 4.3Å; M106-W248 HydrophobicContact CG-CH2 3.35Å; M106-W248 HydrophobicContact CG-CZ2 3.65Å; M106-W248 HydrophobicContact CG-CZ3 3.71Å; M106-W248 HydrophobicContact SD-CE3 4.08Å; M106-W248 HydrophobicContact SD-CH2 3.57Å; M106-W248 VanDerWaalsContact SD-CH2 3.57Å; M106-W248 HydrophobicContact SD-CZ2 4.42Å; M106-W248 HydrophobicContact SD-CZ3 3.36Å; M106-W248 WeakPolarHBondContact SD-CZ3 3.5Å; Y193-W248 HydrophobicContact CD2-CB 3.78Å; Y193-W248 HydrophobicContact CE2-CB 3.95Å; Y244-W248 AromaticContact CD2-CD1 3.35Å; Y244-W248 HydrophobicContact CD2-CG 4.26Å; Y244-W248 AromaticContact CD2-NE1 3.72Å; Y244-W248 HydrophobicContact CE2-CB 4.49Å; Y244-W248 AromaticContact CE2-CD1 3.19Å; Y244-W248 HydrophobicContact CE2-CD2 4.32Å; Y244-W248 AromaticContact CE2-CG 3.76Å; Y244-W248 HydrophobicContact CE2-CG 3.76Å; Y244-W248 AromaticContact CE2-NE1 3.44Å; Y244-W248 AromaticContact CZ-CD1 3.85Å; Y244-W248 AromaticContact CZ-CG 4Å; Y244-W248 WeakPolarHBondContact O-CB 3.14Å; Y244-W248 PolarHBondContact O-N 2.93Å; W248-H251 PolarHBondContact O-N 2.88Å; W248-H252 AromaticContact CE3-NE2 3.76Å; W248-H252 PolarHBondContact O-CD2 3.44Å; W248-H252 VanDerWaalsContact O-CD2 3.3Å; W248-H252 PolarHBondContact O-N 2.94Å; W248-H252 VanDerWaalsContact O-N 3.16Å; W248-A280 HydrophobicContact CD2-CB 4.1Å; W248-A280 HydrophobicContact CE3-CB 4.06Å; W248-A280 HydrophobicContact CH2-CB 4.39Å; W248-A280 HydrophobicContact CZ2-CB 4.44Å; W248-A280 HydrophobicContact CZ3-CB 4.2Å |
| 249 | G | 94.3 | Very high | 91.6 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 13% | 0.134 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.7 | -50.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y193 A245 H251 H252 A253 | Y193-G249 WeakPolarHBondContact OH-CA 3.36Å; A245-G249 WeakPolarHBondContact O-CA 3.34Å; A245-G249 PolarHBondContact O-N 3.07Å; G249-H251 VanDerWaalsContact C-N 3.32Å; G249-H251 PolarHBondContact O-N 3.4Å; G249-H252 PolarHBondContact O-N 3.37Å; G249-A253 WeakPolarHBondContact O-CB 3.5Å; G249-A253 PolarHBondContact O-N 2.89Å |
| 250 | P | 95.3 | Very high | 91.8 | Very high | 53 Ų | 53 | 39.2 Ų | 39.2 | 34% | 0.344 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.6 | -38 | 179.8 | -28.6 | 38.8 | 0 | 0 | 0 | 113.7 | L246 A253 L254 L279 | L246-P250 WeakPolarHBondContact O-CD 3.36Å; P250-A253 PolarHBondContact O-N 3.46Å; P250-L254 WeakPolarHBondContact O-CG 3.47Å; P250-L254 PolarHBondContact O-N 3.38Å; P250-L279 HydrophobicContact CG-CD2 3.9Å |
| 251 | H | 94.5 | Very high | 91.8 | Very high | 21 Ų | 21 | 41.2 Ų | 41.2 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64 | -48.4 | 178.1 | 174.2 | 75 | 0 | 0 | 0 | 111.2 | W248 G249 L254 I255 H277 A280 | W248-H251 PolarHBondContact O-N 2.88Å; G249-H251 VanDerWaalsContact C-N 3.32Å; G249-H251 PolarHBondContact O-N 3.4Å; H251-L254 PolarHBondContact O-N 2.88Å; H251-I255 PolarHBondContact O-N 2.93Å; H251-I255 VanDerWaalsContact O-N 3.08Å; H251-H277 AromaticContact CE1-CD2 3.65Å; H251-H277 AromaticContact CE1-CE1 3.7Å; H251-H277 AromaticContact CE1-NE2 3.23Å; H251-H277 PolarHBondContact CE1-NE2 3.02Å; H251-H277 AromaticContact ND1-CD2 3.73Å; H251-H277 AromaticContact ND1-CE1 3.69Å; H251-H277 AromaticContact ND1-CG 3.95Å; H251-H277 AromaticContact ND1-ND1 3.93Å; H251-H277 AromaticContact ND1-NE2 3.57Å; H251-A280 HydrophobicContact CB-CB 4.18Å |
| 252 | H | 94.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.7 | -34.5 | 176.7 | -72.2 | -64 | 0 | 0 | 0 | 113.2 | F189 Y193 W248 G249 L254 I255 L256 | F189-H252 HydrophobicContact CD2-CB 3.58Å; F189-H252 AromaticContact CD2-CG 3.81Å; F189-H252 HydrophobicContact CE2-CB 4.09Å; Y193-H252 VanDerWaalsContact CB-CD2 3.47Å; Y193-H252 WeakPolarHBondContact CB-CD2 3.48Å; Y193-H252 AromaticContact CD2-CD2 3.73Å; Y193-H252 AromaticContact CG-CD2 3.65Å; W248-H252 AromaticContact CE3-NE2 3.76Å; W248-H252 PolarHBondContact O-CD2 3.44Å; W248-H252 VanDerWaalsContact O-CD2 3.3Å; W248-H252 PolarHBondContact O-N 2.94Å; W248-H252 VanDerWaalsContact O-N 3.16Å; G249-H252 PolarHBondContact O-N 3.37Å; H252-L254 VanDerWaalsContact C-N 3.33Å; H252-L254 PolarHBondContact O-N 3.24Å; H252-I255 WeakPolarHBondContact O-CG2 3.19Å; H252-I255 PolarHBondContact O-N 2.95Å; H252-L256 VanDerWaalsContact O-CG 3.32Å; H252-L256 WeakPolarHBondContact O-CG 3.42Å; H252-L256 PolarHBondContact O-N 2.96Å; H252-L256 VanDerWaalsContact O-N 3.13Å |
| 253 | A | 93.4 | Very high | 90.8 | Very high | 51 Ų | 51 | 53.6 Ų | 53.6 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G249 P250 L256 C257 | G249-A253 WeakPolarHBondContact O-CB 3.5Å; G249-A253 PolarHBondContact O-N 2.89Å; P250-A253 PolarHBondContact O-N 3.46Å; A253-L256 PolarHBondContact O-N 2.87Å; A253-C257 WeakPolarHBondContact O-CB 3.42Å; A253-C257 PolarHBondContact O-N 3.42Å; A253-C257 PolarHBondContact O-SG 3.27Å |
| 254 | L | 92.2 | Very high | 90.2 | Very high | 42 Ų | 42 | 55.4 Ų | 55.4 | 22% | 0.22 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 178.8 | -73.6 | 174.1 | 0 | 0 | 0 | 113.1 | P250 H251 H252 L256 C257 F258 F263 C272 S276 | P250-L254 WeakPolarHBondContact O-CG 3.47Å; P250-L254 PolarHBondContact O-N 3.38Å; H251-L254 PolarHBondContact O-N 2.88Å; H252-L254 VanDerWaalsContact C-N 3.33Å; H252-L254 PolarHBondContact O-N 3.24Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L254-L256 PolarHBondContact O-N 3.49Å; L254-C257 PolarHBondContact O-N 2.9Å; L254-F258 WeakPolarHBondContact O-CB 3.27Å; L254-F258 PolarHBondContact O-N 3.38Å; L254-F263 HydrophobicContact CD2-CE2 4.2Å; L254-C272 HydrophobicContact CD1-CB 4.22Å; L254-C272 WeakPolarHBondContact CD1-O 3.42Å; L254-S276 WeakPolarHBondContact CD1-OG 2.99Å |
| 255 | I | 91.1 | Very high | 89.7 | Confident | 33 Ų | 33 | 63.9 Ų | 63.9 | 17% | 0.169 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 176.6 | -147.8 | 166.2 | 0 | 0 | 0 | 111.4 | D185 H251 H252 F258 W259 | D185-I255 HydrophobicContact CB-CD1 3.84Å; D185-I255 HydrophobicContact CB-CG1 4.29Å; H251-I255 PolarHBondContact O-N 2.93Å; H251-I255 VanDerWaalsContact O-N 3.08Å; H252-I255 WeakPolarHBondContact O-CG2 3.19Å; H252-I255 PolarHBondContact O-N 2.95Å; I255-F258 WeakPolarHBondContact O-CB 3.38Å; I255-F258 PolarHBondContact O-N 3.27Å; I255-W259 PolarHBondContact O-N 3.38Å; I255-W259 VanDerWaalsContact O-N 3.16Å |
| 256 | L | 91.9 | Very high | 89.3 | Confident | 43 Ų | 43 | 64.8 Ų | 64.8 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.9 | -40.8 | 175.1 | -66.2 | 175 | 0 | 0 | 0 | 111.8 | V186 F189 H252 A253 L254 F258 W259 Y260 | V186-L256 HydrophobicContact CG2-CD2 4.37Å; F189-L256 HydrophobicContact CD1-CD1 3.92Å; F189-L256 HydrophobicContact CD1-CD2 4.35Å; F189-L256 HydrophobicContact CD2-CD1 4.19Å; F189-L256 HydrophobicContact CE1-CD1 3.79Å; F189-L256 HydrophobicContact CE2-CD1 4.03Å; F189-L256 HydrophobicContact CG-CD1 4.1Å; F189-L256 HydrophobicContact CZ-CD1 3.83Å; H252-L256 VanDerWaalsContact O-CG 3.32Å; H252-L256 WeakPolarHBondContact O-CG 3.42Å; H252-L256 PolarHBondContact O-N 2.96Å; H252-L256 VanDerWaalsContact O-N 3.13Å; A253-L256 PolarHBondContact O-N 2.87Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L254-L256 PolarHBondContact O-N 3.49Å; L256-F258 VanDerWaalsContact C-N 3.27Å; L256-F258 PolarHBondContact O-N 3.33Å; L256-W259 PolarHBondContact O-N 3.13Å; L256-Y260 HydrophobicContact CD2-CD2 4.26Å; L256-Y260 HydrophobicContact CD2-CE2 4.04Å; L256-Y260 WeakPolarHBondContact O-CD2 3.41Å; L256-Y260 PolarHBondContact O-N 3.26Å |
| 257 | C | 91.3 | Very high | 88.8 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.2 | -35.1 | 173.6 | -72 | 0 | 0 | 0 | 0 | 112.3 | A253 L254 G261 F263 | A253-C257 WeakPolarHBondContact O-CB 3.42Å; A253-C257 PolarHBondContact O-N 3.42Å; A253-C257 PolarHBondContact O-SG 3.27Å; L254-C257 PolarHBondContact O-N 2.9Å; C257-G261 CarbonylContact O-C 3.57Å; C257-G261 WeakPolarHBondContact O-CA 3.42Å; C257-G261 PolarHBondContact O-N 2.62Å; C257-F263 HydrophobicContact CB-CD2 4.45Å |
| 258 | F | 89.1 | Confident | 88.3 | Confident | 80 Ų | 80 | 66.8 Ų | 66.8 | 35% | 0.351 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -43.2 | 173.6 | 171.7 | -96.7 | 0 | 0 | 0 | 111.8 | L254 I255 L256 F263 F265 | L254-F258 WeakPolarHBondContact O-CB 3.27Å; L254-F258 PolarHBondContact O-N 3.38Å; I255-F258 WeakPolarHBondContact O-CB 3.38Å; I255-F258 PolarHBondContact O-N 3.27Å; L256-F258 VanDerWaalsContact C-N 3.27Å; L256-F258 PolarHBondContact O-N 3.33Å; F258-F263 HydrophobicContact CB-CD2 4.43Å; F258-F263 HydrophobicContact CB-CG 4.48Å; F258-F263 HydrophobicContact CD2-CD1 4.2Å; F258-F263 HydrophobicContact CD2-CG 4.36Å; F258-F265 HydrophobicContact CE2-CE1 4.45Å; F258-F265 HydrophobicContact CE2-CZ 4.18Å |
| 259 | W | 90.9 | Very high | 87.9 | Confident | 25 Ų | 25 | 67.6 Ų | 67.6 | 10% | 0.095 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -80.6 | -35.7 | -176.6 | -75.6 | 120.6 | 0 | 0 | 0 | 115.1 | D178 R181 R182 D185 I255 L256 | D178-W259 HydrophobicContact CB-CH2 4.13Å; D178-W259 HydrophobicContact CB-CZ3 4.03Å; D178-W259 WeakPolarHBondContact O-CH2 3.42Å; R181-W259 HydrophobicContact CB-CH2 3.79Å; R181-W259 HydrophobicContact CB-CZ2 3.65Å; R182-W259 HydrophobicContact CB-CD2 3.78Å; R182-W259 HydrophobicContact CB-CE3 3.83Å; R182-W259 HydrophobicContact CB-CG 4.36Å; R182-W259 HydrophobicContact CB-CH2 4.19Å; R182-W259 HydrophobicContact CB-CZ2 4.15Å; R182-W259 HydrophobicContact CB-CZ3 4.03Å; R182-W259 HydrophobicContact CG-CB 4.21Å; R182-W259 HydrophobicContact CG-CD2 3.82Å; R182-W259 HydrophobicContact CG-CE3 4.03Å; R182-W259 HydrophobicContact CG-CG 3.92Å; D185-W259 PolarHBondContact OD2-NE1 3.03Å; I255-W259 PolarHBondContact O-N 3.38Å; I255-W259 VanDerWaalsContact O-N 3.16Å; L256-W259 PolarHBondContact O-N 3.13Å |
| 260 | Y | 91.3 | Very high | 87.4 | Confident | 143 Ų | 143 | 72.2 Ų | 72.2 | 56% | 0.561 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -120.7 | -11.1 | -169.6 | -59.5 | -72.9 | 0 | 0 | 0 | 114 | V186 L256 | V186-Y260 HydrophobicContact CG2-CE2 3.92Å; V186-Y260 VanDerWaalsContact CG2-OH 3.3Å; V186-Y260 WeakPolarHBondContact CG2-OH 3.38Å; L256-Y260 HydrophobicContact CD2-CD2 4.26Å; L256-Y260 HydrophobicContact CD2-CE2 4.04Å; L256-Y260 WeakPolarHBondContact O-CD2 3.41Å; L256-Y260 PolarHBondContact O-N 3.26Å |
| 261 | G | 84.7 | Confident | 86.9 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 44% | 0.443 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -102.2 | 177.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | C257 F263 | C257-G261 CarbonylContact O-C 3.57Å; C257-G261 WeakPolarHBondContact O-CA 3.42Å; C257-G261 PolarHBondContact O-N 2.62Å; G261-F263 PolarHBondContact O-N 2.92Å |
| 262 | R | 76.8 | Confident | 86.6 | Confident | 263 Ų | 263 | 74.5 Ų | 74.5 | 99% | 0.992 | 41% | 0.406 | S | S | * | . | trans | -84.9 | 90.1 | 167 | -72.5 | -178.5 | 172.1 | 172.7 | -2.6 | 108.8 | A264 | R262-A264 PolarHBondContact O-N 2.67Š| ||
| 263 | F | 76.4 | Confident | 86.3 | Confident | 47 Ų | 47 | 79.5 Ų | 79.5 | 21% | 0.206 | 43% | 0.425 | C | S | . | . | trans | -92 | 100.7 | 179.2 | -158.3 | -91 | 0 | 0 | 0 | 110.6 | L254 C257 F258 G261 T269 | L254-F263 HydrophobicContact CD2-CE2 4.2Å; C257-F263 HydrophobicContact CB-CD2 4.45Å; F258-F263 HydrophobicContact CB-CD2 4.43Å; F258-F263 HydrophobicContact CB-CG 4.48Å; F258-F263 HydrophobicContact CD2-CD1 4.2Å; F258-F263 HydrophobicContact CD2-CG 4.36Å; G261-F263 PolarHBondContact O-N 2.92Å; F263-T269 HydrophobicContact CE1-CG2 4.44Å; F263-T269 HydrophobicContact CZ-CG2 4.25Å | ||
| 264 | A | 80.3 | Confident | 86 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 53% | 0.529 | 41% | 0.41 | S | S | . | . | trans | -74.4 | 132.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | R262 S266 T269 | R262-A264 PolarHBondContact O-N 2.67Å; A264-S266 PolarHBondContact O-N 2.9Å; A264-S266 VanDerWaalsContact O-N 3.12Å; A264-T269 WeakPolarHBondContact O-CB 3.42Å; A264-T269 VanDerWaalsContact O-CG2 3.24Å; A264-T269 WeakPolarHBondContact O-CG2 3.09Å; A264-T269 PolarHBondContact O-OG1 2.87Å | ||
| 265 | F | 80 | Confident | 85.9 | Confident | 182 Ų | 182 | 78.9 Ų | 78.9 | 80% | 0.798 | 42% | 0.423 | S | S | * | . | trans | -77.5 | 95.7 | 170.5 | -64.9 | -79.7 | 0 | 0 | 0 | 108.7 | F258 | F258-F265 HydrophobicContact CE2-CE1 4.45Å; F258-F265 HydrophobicContact CE2-CZ 4.18Å | ||
| 266 | S | 84.8 | Confident | 86 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 30% | 0.301 | 42% | 0.417 | S | S | . | . | trans | -132.4 | 160.5 | 179.3 | 75.7 | 0 | 0 | 0 | 0 | 110.4 | A264 A268 T269 Y270 | A264-S266 PolarHBondContact O-N 2.9Å; A264-S266 VanDerWaalsContact O-N 3.12Å; S266-A268 PolarHBondContact O-N 3.05Å; S266-T269 PolarHBondContact N-OG1 3.04Å; S266-T269 PolarHBondContact O-N 2.82Å; S266-T269 VanDerWaalsContact O-N 3.14Å; S266-T269 PolarHBondContact O-OG1 3.17Å; S266-T269 PolarHBondContact OG-N 2.88Å; S266-T269 PolarHBondContact OG-OG1 3.04Å; S266-Y270 PolarHBondContact O-N 3.33Å | ||
| 267 | P | 82.7 | Confident | 86 | Confident | 108 Ų | 108 | 76.6 Ų | 76.6 | 70% | 0.701 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.3 | -34.4 | 174.9 | -26.7 | 35.4 | 0 | 0 | 0 | 112.7 | A271 | P267-A271 WeakPolarHBondContact O-CB 3.41Å; P267-A271 PolarHBondContact O-N 3.47Å |
| 268 | A | 84.9 | Confident | 86.1 | Confident | 64 Ų | 64 | 74.3 Ų | 74.3 | 53% | 0.529 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S266 Y270 A271 C272 | S266-A268 PolarHBondContact O-N 3.05Å; A268-Y270 VanDerWaalsContact C-N 3.32Å; A268-Y270 PolarHBondContact O-N 3.49Å; A268-A271 PolarHBondContact O-N 3.33Å; A268-C272 PolarHBondContact O-N 3.18Å; A268-C272 PolarHBondContact O-SG 3.18Å; A268-C272 VanDerWaalsContact O-SG 3.33Å |
| 269 | T | 85 | Confident | 86.3 | Confident | 32 Ų | 32 | 73.9 Ų | 73.9 | 20% | 0.196 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.2 | -32.3 | 179.2 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | F263 A264 S266 R273 | F263-T269 HydrophobicContact CE1-CG2 4.44Å; F263-T269 HydrophobicContact CZ-CG2 4.25Å; A264-T269 WeakPolarHBondContact O-CB 3.42Å; A264-T269 VanDerWaalsContact O-CG2 3.24Å; A264-T269 WeakPolarHBondContact O-CG2 3.09Å; A264-T269 PolarHBondContact O-OG1 2.87Å; S266-T269 PolarHBondContact N-OG1 3.04Å; S266-T269 PolarHBondContact O-N 2.82Å; S266-T269 VanDerWaalsContact O-N 3.14Å; S266-T269 PolarHBondContact O-OG1 3.17Å; S266-T269 PolarHBondContact OG-N 2.88Å; S266-T269 PolarHBondContact OG-OG1 3.04Å; T269-R273 WeakPolarHBondContact O-CB 3.07Å; T269-R273 PolarHBondContact O-N 3.34Å |
| 270 | Y | 83.8 | Confident | 86.5 | Confident | 111 Ų | 111 | 72.7 Ų | 72.7 | 44% | 0.435 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 169.2 | -178 | -99.8 | 0 | 0 | 0 | 111.9 | S266 A268 C272 R273 L274 | S266-Y270 PolarHBondContact O-N 3.33Å; A268-Y270 VanDerWaalsContact C-N 3.32Å; A268-Y270 PolarHBondContact O-N 3.49Å; Y270-C272 PolarHBondContact O-N 2.94Å; Y270-R273 WeakPolarHBondContact O-CB 3.4Å; Y270-R273 PolarHBondContact O-N 3.38Å; Y270-L274 WeakPolarHBondContact O-CB 3.36Å; Y270-L274 PolarHBondContact O-N 3.34Å |
| 271 | A | 85.8 | Confident | 86.6 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 43% | 0.43 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | P267 A268 L274 A275 | P267-A271 WeakPolarHBondContact O-CB 3.41Å; P267-A271 PolarHBondContact O-N 3.47Å; A268-A271 PolarHBondContact O-N 3.33Å; A271-L274 PolarHBondContact O-N 2.98Å; A271-A275 VanDerWaalsContact O-CB 3.31Å; A271-A275 WeakPolarHBondContact O-CB 3.38Å; A271-A275 PolarHBondContact O-N 3.1Å |
| 272 | C | 88.6 | Confident | 87 | Confident | 69 Ų | 69 | 65.2 Ų | 65.2 | 47% | 0.466 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 174.1 | -70 | 0 | 0 | 0 | 0 | 112 | L254 A268 Y270 L274 A275 S276 | L254-C272 HydrophobicContact CD1-CB 4.22Å; L254-C272 WeakPolarHBondContact CD1-O 3.42Å; A268-C272 PolarHBondContact O-N 3.18Å; A268-C272 PolarHBondContact O-SG 3.18Å; A268-C272 VanDerWaalsContact O-SG 3.33Å; Y270-C272 PolarHBondContact O-N 2.94Å; C272-L274 VanDerWaalsContact C-N 3.35Å; C272-L274 PolarHBondContact O-N 3.19Å; C272-A275 PolarHBondContact O-N 2.9Å; C272-S276 WeakPolarHBondContact O-CB 3.47Å; C272-S276 PolarHBondContact O-N 3.23Å; C272-S276 PolarHBondContact O-OG 3.39Å |
| 273 | R | 87.1 | Confident | 87.8 | Confident | 109 Ų | 109 | 52.8 Ų | 52.8 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.4 | -48.5 | 176 | 178.7 | 179.6 | 173.8 | -103.2 | -1.7 | 110.5 | T269 Y270 S276 H277 | T269-R273 WeakPolarHBondContact O-CB 3.07Å; T269-R273 PolarHBondContact O-N 3.34Å; Y270-R273 WeakPolarHBondContact O-CB 3.4Å; Y270-R273 PolarHBondContact O-N 3.38Å; R273-S276 PolarHBondContact O-N 3.45Å; R273-S276 PolarHBondContact O-OG 3.49Å; R273-H277 PolarHBondContact O-N 2.88Å; R273-H277 VanDerWaalsContact O-N 3.15Å; R273-H277 PolarHBondContact O-ND1 3.36Å |
| 274 | L | 87.5 | Confident | 88.5 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.8 | -50 | 178.8 | 176.3 | 62.9 | 0 | 0 | 0 | 111.8 | V20 Y83 Y270 A271 C272 S276 H277 C278 | V20-L274 HydrophobicContact CG2-CD1 3.81Å; V20-L274 HydrophobicContact CG2-CD2 3.28Å; V20-L274 HydrophobicContact CG2-CG 4.06Å; Y83-L274 HydrophobicContact CD1-CD1 3.94Å; Y83-L274 HydrophobicContact CD2-CD1 4.42Å; Y83-L274 HydrophobicContact CE1-CD1 3.98Å; Y83-L274 HydrophobicContact CE2-CD1 4.45Å; Y83-L274 HydrophobicContact CG-CD1 4.17Å; Y270-L274 WeakPolarHBondContact O-CB 3.36Å; Y270-L274 PolarHBondContact O-N 3.34Å; A271-L274 PolarHBondContact O-N 2.98Å; C272-L274 VanDerWaalsContact C-N 3.35Å; C272-L274 PolarHBondContact O-N 3.19Å; L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 2.81Å; L274-H277 PolarHBondContact O-N 3.42Å; L274-H277 VanDerWaalsContact O-N 3.11Å; L274-C278 PolarHBondContact O-N 3.35Å; L274-C278 PolarHBondContact O-SG 2.91Å; L274-C278 VanDerWaalsContact O-SG 3.42Å |
| 275 | A | 90.3 | Very high | 89.1 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 49% | 0.488 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.6 | -40.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A271 C272 C278 L279 | A271-A275 VanDerWaalsContact O-CB 3.31Å; A271-A275 WeakPolarHBondContact O-CB 3.38Å; A271-A275 PolarHBondContact O-N 3.1Å; C272-A275 PolarHBondContact O-N 2.9Å; A275-C278 PolarHBondContact O-N 3.28Å; A275-L279 VanDerWaalsContact O-CB 3.29Å; A275-L279 WeakPolarHBondContact O-CB 3.14Å; A275-L279 PolarHBondContact O-N 2.91Å |
| 276 | S | 93.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 176.9 | 76.4 | 0 | 0 | 0 | 0 | 113.4 | L254 C272 R273 L274 L279 A280 | L254-S276 WeakPolarHBondContact CD1-OG 2.99Å; C272-S276 WeakPolarHBondContact O-CB 3.47Å; C272-S276 PolarHBondContact O-N 3.23Å; C272-S276 PolarHBondContact O-OG 3.39Å; R273-S276 PolarHBondContact O-N 3.45Å; R273-S276 PolarHBondContact O-OG 3.49Å; L274-S276 VanDerWaalsContact C-N 3.27Å; L274-S276 PolarHBondContact O-N 2.81Å; S276-L279 PolarHBondContact O-N 2.95Å; S276-A280 WeakPolarHBondContact O-CB 3.43Å; S276-A280 PolarHBondContact O-N 3.3Å |
| 277 | H | 91.4 | Very high | 89.8 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 11% | 0.106 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.4 | -47.5 | 175 | -77.4 | 87.5 | 0 | 0 | 0 | 110.7 | Y83 H251 R273 L274 L279 A280 Y281 | Y83-H277 PolarHBondContact OH-CD2 3.08Å; H251-H277 AromaticContact CE1-CD2 3.65Å; H251-H277 AromaticContact CE1-CE1 3.7Å; H251-H277 AromaticContact CE1-NE2 3.23Å; H251-H277 PolarHBondContact CE1-NE2 3.02Å; H251-H277 AromaticContact ND1-CD2 3.73Å; H251-H277 AromaticContact ND1-CE1 3.69Å; H251-H277 AromaticContact ND1-CG 3.95Å; H251-H277 AromaticContact ND1-ND1 3.93Å; H251-H277 AromaticContact ND1-NE2 3.57Å; R273-H277 PolarHBondContact O-N 2.88Å; R273-H277 VanDerWaalsContact O-N 3.15Å; R273-H277 PolarHBondContact O-ND1 3.36Å; L274-H277 PolarHBondContact O-N 3.42Å; L274-H277 VanDerWaalsContact O-N 3.11Å; H277-L279 VanDerWaalsContact C-N 3.25Å; H277-L279 PolarHBondContact O-N 2.87Å; H277-A280 PolarHBondContact O-N 3.35Å; H277-Y281 HydrophobicContact CB-CE2 4.35Å; H277-Y281 WeakPolarHBondContact O-CD2 3.34Å; H277-Y281 PolarHBondContact O-N 3.35Å |
| 278 | C | 92.4 | Very high | 90.1 | Very high | 16 Ų | 16 | 35.3 Ų | 35.3 | 11% | 0.108 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.2 | -42.1 | 176.3 | -68.4 | 0 | 0 | 0 | 0 | 111.5 | V23 L274 A275 Y281 A282 | V23-C278 HydrophobicContact CG1-CB 3.86Å; L274-C278 PolarHBondContact O-N 3.35Å; L274-C278 PolarHBondContact O-SG 2.91Å; L274-C278 VanDerWaalsContact O-SG 3.42Å; A275-C278 PolarHBondContact O-N 3.28Å; C278-Y281 PolarHBondContact O-N 3.05Å; C278-A282 WeakPolarHBondContact O-CB 3.42Å; C278-A282 PolarHBondContact O-N 3.41Å |
| 279 | L | 94.7 | Very high | 90.1 | Very high | 71 Ų | 71 | 36.6 Ų | 36.6 | 37% | 0.372 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.9 | -41.1 | 177.8 | -175.9 | 64.9 | 0 | 0 | 0 | 112.4 | C247 P250 A275 S276 H277 Y281 A282 N283 | C247-L279 HydrophobicContact CB-CG 4.48Å; C247-L279 WeakPolarHBondContact CB-O 3.36Å; C247-L279 PolarHBondContact SG-O 3.26Å; P250-L279 HydrophobicContact CG-CD2 3.9Å; A275-L279 VanDerWaalsContact O-CB 3.29Å; A275-L279 WeakPolarHBondContact O-CB 3.14Å; A275-L279 PolarHBondContact O-N 2.91Å; S276-L279 PolarHBondContact O-N 2.95Å; H277-L279 VanDerWaalsContact C-N 3.25Å; H277-L279 PolarHBondContact O-N 2.87Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 3.27Å; L279-A282 PolarHBondContact O-N 3.14Å; L279-N283 PolarHBondContact O-N 2.95Å |
| 280 | A | 94.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | C247 W248 H251 S276 H277 N283 | C247-A280 WeakPolarHBondContact O-CA 3.45Å; C247-A280 PolarHBondContact O-N 3.28Å; W248-A280 HydrophobicContact CD2-CB 4.1Å; W248-A280 HydrophobicContact CE3-CB 4.06Å; W248-A280 HydrophobicContact CH2-CB 4.39Å; W248-A280 HydrophobicContact CZ2-CB 4.44Å; W248-A280 HydrophobicContact CZ3-CB 4.2Å; H251-A280 HydrophobicContact CB-CB 4.18Å; S276-A280 WeakPolarHBondContact O-CB 3.43Å; S276-A280 PolarHBondContact O-N 3.3Å; H277-A280 PolarHBondContact O-N 3.35Å; A280-N283 WeakPolarHBondContact O-CB 3.36Å; A280-N283 PolarHBondContact O-N 3.48Å |
| 281 | Y | 93.4 | Very high | 89.9 | Confident | 13 Ų | 13 | 31.2 Ų | 31.2 | 5% | 0.051 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.8 | -31.6 | 178 | -60.3 | -17.6 | 0 | 0 | 0 | 113.3 | F24 F71 Q79 H277 C278 L279 N283 S284 | F24-Y281 HydrophobicContact CD1-CD2 4.48Å; F24-Y281 AromaticContact CE1-CD2 3.47Å; F24-Y281 HydrophobicContact CE1-CD2 3.47Å; F24-Y281 VanDerWaalsContact CE1-CD2 3.47Å; F24-Y281 AromaticContact CE1-CE2 3.67Å; F24-Y281 HydrophobicContact CE1-CE2 3.67Å; F24-Y281 AromaticContact CZ-CD2 3.91Å; F24-Y281 HydrophobicContact CZ-CD2 3.91Å; F24-Y281 AromaticContact CZ-CE2 3.87Å; F24-Y281 HydrophobicContact CZ-CE2 3.87Å; F71-Y281 HydrophobicContact CE1-CD1 4.11Å; F71-Y281 HydrophobicContact CE1-CG 4.16Å; F71-Y281 HydrophobicContact CE2-CD1 4.17Å; F71-Y281 HydrophobicContact CE2-CE1 4.21Å; F71-Y281 AromaticContact CZ-CD1 3.33Å; F71-Y281 HydrophobicContact CZ-CD1 3.33Å; F71-Y281 HydrophobicContact CZ-CD2 4.42Å; F71-Y281 AromaticContact CZ-CE1 3.75Å; F71-Y281 HydrophobicContact CZ-CE1 3.75Å; F71-Y281 AromaticContact CZ-CG 3.68Å; F71-Y281 HydrophobicContact CZ-CG 3.68Å; Q79-Y281 HydrophobicContact CB-CE2 4.46Å; Q79-Y281 HydrophobicContact CG-CE2 3.46Å; Q79-Y281 VanDerWaalsContact CG-CE2 3.46Å; Q79-Y281 WeakPolarHBondContact CG-OH 3.46Å; H277-Y281 HydrophobicContact CB-CE2 4.35Å; H277-Y281 WeakPolarHBondContact O-CD2 3.34Å; H277-Y281 PolarHBondContact O-N 3.35Å; C278-Y281 PolarHBondContact O-N 3.05Å; L279-Y281 VanDerWaalsContact C-N 3.31Å; L279-Y281 PolarHBondContact O-N 3.27Å; Y281-N283 PolarHBondContact O-N 3.19Å; Y281-S284 PolarHBondContact O-N 2.88Å; Y281-S284 VanDerWaalsContact O-N 3.15Å |
| 282 | A | 93.4 | Very high | 89.5 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 12% | 0.124 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -23.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I27 C278 L279 S284 C285 L286 | I27-A282 HydrophobicContact CG1-CB 4.48Å; C278-A282 WeakPolarHBondContact O-CB 3.42Å; C278-A282 PolarHBondContact O-N 3.41Å; L279-A282 PolarHBondContact O-N 3.14Å; A282-S284 PolarHBondContact O-N 2.86Å; A282-C285 PolarHBondContact O-N 2.83Å; A282-C285 PolarHBondContact O-SG 3.26Å; A282-L286 HydrophobicContact CB-CD1 4.07Å; A282-L286 HydrophobicContact CB-CG 4.49Å; A282-L286 WeakPolarHBondContact O-CB 3.41Å; A282-L286 WeakPolarHBondContact O-CG 3.35Å; A282-L286 PolarHBondContact O-N 3.24Å |
| 283 | N | 93.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.011 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -47.4 | -45.6 | 171.8 | -179.4 | 70 | 0 | 0 | 0 | 112 | Y244 C247 L279 A280 Y281 C285 L286 N287 | Y244-N283 WeakPolarHBondContact CA-OD1 3.32Å; C247-N283 HydrophobicContact CB-CB 3.8Å; L279-N283 PolarHBondContact O-N 2.95Å; A280-N283 WeakPolarHBondContact O-CB 3.36Å; A280-N283 PolarHBondContact O-N 3.48Å; Y281-N283 PolarHBondContact O-N 3.19Å; N283-C285 VanDerWaalsContact C-N 3.29Å; N283-C285 PolarHBondContact O-N 2.85Å; N283-L286 PolarHBondContact O-N 2.99Å; N283-N287 VanDerWaalsContact O-CG 3.27Å; N283-N287 PolarHBondContact O-N 3.25Å; N283-N287 PolarHBondContact O-ND2 3.39Å; N283-N287 PolarHBondContact O-OD1 3.33Å |
| 284 | S | 91.8 | Very high | 88 | Confident | 7 Ų | 7 | 29.3 Ų | 29.3 | 5% | 0.049 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.2 | -25.7 | -176.3 | -51.2 | 0 | 0 | 0 | 0 | 113 | N35 F71 Y281 A282 | N35-S284 PolarHBondContact ND2-O 2.75Å; F71-S284 WeakPolarHBondContact CD1-OG 3.44Å; Y281-S284 PolarHBondContact O-N 2.88Å; Y281-S284 VanDerWaalsContact O-N 3.15Å; A282-S284 PolarHBondContact O-N 2.86Å |
| 285 | C | 91.6 | Very high | 87 | Confident | 8 Ų | 8 | 28.8 Ų | 28.8 | 5% | 0.054 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -97.7 | -15.6 | 177.6 | 68.1 | 0 | 0 | 0 | 0 | 114.3 | L30 A282 N283 P288 | L30-C285 HydrophobicContact CB-CB 4.17Å; A282-C285 PolarHBondContact O-N 2.83Å; A282-C285 PolarHBondContact O-SG 3.26Å; N283-C285 VanDerWaalsContact C-N 3.29Å; N283-C285 PolarHBondContact O-N 2.85Å; C285-P288 WeakPolarHBondContact O-CD 3.35Å |
| 286 | L | 91.9 | Very high | 85.8 | Confident | 50 Ų | 50 | 33.2 Ų | 33.2 | 26% | 0.262 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -85.7 | -21.7 | -179.2 | -69.3 | 173.8 | 0 | 0 | 0 | 112.7 | L243 A282 N283 L289 V290 | L243-L286 HydrophobicContact CD1-CB 3.98Å; L243-L286 HydrophobicContact CD1-CD1 3.72Å; L243-L286 HydrophobicContact CD1-CG 4.5Å; L243-L286 HydrophobicContact CD2-CB 3.51Å; L243-L286 HydrophobicContact CG-CB 4.3Å; A282-L286 HydrophobicContact CB-CD1 4.07Å; A282-L286 HydrophobicContact CB-CG 4.49Å; A282-L286 WeakPolarHBondContact O-CB 3.41Å; A282-L286 WeakPolarHBondContact O-CG 3.35Å; A282-L286 PolarHBondContact O-N 3.24Å; N283-L286 PolarHBondContact O-N 2.99Å; L286-L289 HydrophobicContact CD2-CD1 3.77Å; L286-L289 WeakPolarHBondContact O-CB 3.27Å; L286-L289 PolarHBondContact O-N 2.9Å; L286-L289 VanDerWaalsContact O-N 3.1Å; L286-V290 PolarHBondContact O-N 3.45Å |
| 287 | N | 89.4 | Confident | 84.4 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -53.8 | -48.5 | 178 | -63.9 | -28.4 | 0 | 0 | 0 | 113.6 | L64 D68 V240 N283 L289 V290 Y291 | L64-N287 HydrophobicContact CD2-CB 4.18Å; L64-N287 WeakPolarHBondContact CD2-ND2 3.46Å; D68-N287 PolarHBondContact OD2-ND2 3.15Å; V240-N287 WeakPolarHBondContact CG1-OD1 3.45Å; N283-N287 VanDerWaalsContact O-CG 3.27Å; N283-N287 PolarHBondContact O-N 3.25Å; N283-N287 PolarHBondContact O-ND2 3.39Å; N283-N287 PolarHBondContact O-OD1 3.33Å; N287-L289 VanDerWaalsContact C-N 3.3Å; N287-L289 PolarHBondContact O-N 3.44Å; N287-V290 WeakPolarHBondContact O-CB 3.43Å; N287-V290 PolarHBondContact O-N 3.29Å; N287-Y291 HydrophobicContact CB-CE2 4.11Å; N287-Y291 VanDerWaalsContact O-CD2 3.24Å; N287-Y291 WeakPolarHBondContact O-CD2 3.41Å; N287-Y291 PolarHBondContact O-N 2.88Å; N287-Y291 VanDerWaalsContact O-N 3.08Å |
| 288 | P | 87.4 | Confident | 83.2 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 8% | 0.078 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.2 | -36.2 | 175.5 | -26.5 | 36.5 | 0 | 0 | 0 | 114.5 | N35 V38 C285 Y291 A292 | N35-P288 WeakPolarHBondContact OD1-CG 3.48Å; V38-P288 HydrophobicContact CG2-CB 3.96Å; V38-P288 HydrophobicContact CG2-CG 4.17Å; C285-P288 WeakPolarHBondContact O-CD 3.35Å; P288-Y291 PolarHBondContact O-N 2.88Å; P288-A292 WeakPolarHBondContact O-CB 3.43Å; P288-A292 PolarHBondContact O-N 3.41Å |
| 289 | L | 85.4 | Confident | 82.3 | Confident | 90 Ų | 90 | 39.7 Ų | 39.7 | 47% | 0.471 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 177.8 | -63.1 | 179 | 0 | 0 | 0 | 110.6 | L286 N287 Y291 A292 L293 | L286-L289 HydrophobicContact CD2-CD1 3.77Å; L286-L289 WeakPolarHBondContact O-CB 3.27Å; L286-L289 PolarHBondContact O-N 2.9Å; L286-L289 VanDerWaalsContact O-N 3.1Å; N287-L289 VanDerWaalsContact C-N 3.3Å; N287-L289 PolarHBondContact O-N 3.44Å; L289-Y291 VanDerWaalsContact C-N 3.32Å; L289-Y291 PolarHBondContact O-N 3.29Å; L289-A292 PolarHBondContact O-N 3.12Å; L289-L293 WeakPolarHBondContact O-CB 3.22Å; L289-L293 VanDerWaalsContact O-CG 3.27Å; L289-L293 WeakPolarHBondContact O-CG 3.38Å; L289-L293 PolarHBondContact O-N 2.93Å |
| 290 | V | 84.9 | Confident | 81.1 | Confident | 24 Ų | 24 | 38.1 Ų | 38.1 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60 | -45 | 174.8 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | A239 V240 L243 L286 N287 A292 L293 A294 | A239-V290 HydrophobicContact CB-CG1 3.53Å; V240-V290 HydrophobicContact CG2-CB 3.85Å; V240-V290 HydrophobicContact CG2-CG1 3.5Å; V240-V290 HydrophobicContact CG2-CG2 4.46Å; L243-V290 HydrophobicContact CD2-CG2 3.78Å; L286-V290 PolarHBondContact O-N 3.45Å; N287-V290 WeakPolarHBondContact O-CB 3.43Å; N287-V290 PolarHBondContact O-N 3.29Å; V290-A292 PolarHBondContact O-N 3.39Å; V290-L293 PolarHBondContact O-N 3.04Å; V290-A294 HydrophobicContact CG1-CB 4.49Å; V290-A294 WeakPolarHBondContact O-CB 3.27Å; V290-A294 PolarHBondContact O-N 3.23Å |
| 291 | Y | 79.6 | Confident | 80 | Confident | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 177.4 | -57.6 | -38.2 | 0 | 0 | 0 | 112.7 | V38 I61 L64 M237 V240 N287 P288 L289 S295 | V38-Y291 HydrophobicContact CG2-CD2 4.1Å; I61-Y291 HydrophobicContact CG1-CE1 4.43Å; I61-Y291 HydrophobicContact CG2-CD2 4.21Å; I61-Y291 HydrophobicContact CG2-CE2 3.78Å; L64-Y291 WeakPolarHBondContact CD2-OH 3.42Å; M237-Y291 HydrophobicContact CE-CD1 4.01Å; M237-Y291 HydrophobicContact CE-CE1 3.59Å; V240-Y291 HydrophobicContact CG2-CD1 4.15Å; V240-Y291 HydrophobicContact CG2-CE1 3.5Å; V240-Y291 VanDerWaalsContact CG2-CE1 3.5Å; N287-Y291 HydrophobicContact CB-CE2 4.11Å; N287-Y291 VanDerWaalsContact O-CD2 3.24Å; N287-Y291 WeakPolarHBondContact O-CD2 3.41Å; N287-Y291 PolarHBondContact O-N 2.88Å; N287-Y291 VanDerWaalsContact O-N 3.08Å; P288-Y291 PolarHBondContact O-N 2.88Å; L289-Y291 VanDerWaalsContact C-N 3.32Å; L289-Y291 PolarHBondContact O-N 3.29Å; Y291-S295 WeakPolarHBondContact O-CB 3.31Å; Y291-S295 PolarHBondContact O-N 3.28Å |
| 292 | A | 77.3 | Confident | 79.1 | Confident | 36 Ų | 36 | 41.6 Ų | 41.6 | 30% | 0.298 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P288 L289 V290 R299 | P288-A292 WeakPolarHBondContact O-CB 3.43Å; P288-A292 PolarHBondContact O-N 3.41Å; L289-A292 PolarHBondContact O-N 3.12Å; V290-A292 PolarHBondContact O-N 3.39Å; A292-R299 WeakPolarHBondContact O-CD 3.27Å; A292-R299 WeakPolarHBondContact O-CG 3.35Å |
| 293 | L | 76.2 | Confident | 78.3 | Confident | 138 Ų | 138 | 47.1 Ų | 47.1 | 72% | 0.723 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -79.7 | -42.7 | -178.6 | -65.3 | 173.8 | 0 | 0 | 0 | 112 | L289 V290 | L289-L293 WeakPolarHBondContact O-CB 3.22Å; L289-L293 VanDerWaalsContact O-CG 3.27Å; L289-L293 WeakPolarHBondContact O-CG 3.38Å; L289-L293 PolarHBondContact O-N 2.93Å; V290-L293 PolarHBondContact O-N 3.04Å |
| 294 | A | 68 | Low | 77.2 | Confident | 15 Ų | 15 | 52.5 Ų | 52.5 | 12% | 0.124 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -86.1 | -23.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | A236 V290 | A236-A294 HydrophobicContact CB-CB 3.48Å; A236-A294 VanDerWaalsContact CB-CB 3.48Å; V290-A294 HydrophobicContact CG1-CB 4.49Å; V290-A294 WeakPolarHBondContact O-CB 3.27Å; V290-A294 PolarHBondContact O-N 3.23Å |
| 295 | S | 67.6 | Low | 76.2 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | trans | -113.2 | 113.4 | -176.4 | -177.9 | 0 | 0 | 0 | 0 | 113.8 | Y291 H297 F298 R299 | Y291-S295 WeakPolarHBondContact O-CB 3.31Å; Y291-S295 PolarHBondContact O-N 3.28Å; S295-H297 PolarHBondContact O-N 3.42Å; S295-H297 PolarHBondContact OG-N 3.43Å; S295-F298 PolarHBondContact O-N 3.35Å; S295-F298 PolarHBondContact OG-N 2.91Å; S295-R299 PolarHBondContact O-N 3.15Å; S295-R299 VanDerWaalsContact O-N 3.09Å | ||
| 296 | R | 64.1 | Low | 75.3 | Confident | 152 Ų | 152 | 61 Ų | 61 | 57% | 0.574 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.9 | -31.3 | 171.9 | -76.7 | -172.6 | 179 | -162.4 | -0.3 | 112.2 | R299 A300 | R296-R299 PolarHBondContact O-N 3.4Å; R296-A300 WeakPolarHBondContact O-CB 3.26Å; R296-A300 PolarHBondContact O-N 3.11Å |
| 297 | H | 63.9 | Low | 74.5 | Confident | 63 Ų | 63 | 63.8 Ų | 63.8 | 29% | 0.292 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.1 | -49.4 | 176.7 | -173.7 | 56.1 | 0 | 0 | 0 | 111.2 | W50 S295 R299 A300 R301 | W50-H297 PolarHBondContact O-CE1 3.46Å; W50-H297 VanDerWaalsContact O-CE1 3.31Å; S295-H297 PolarHBondContact O-N 3.42Å; S295-H297 PolarHBondContact OG-N 3.43Å; H297-R299 PolarHBondContact O-N 2.96Å; H297-A300 PolarHBondContact O-N 2.71Å; H297-A300 VanDerWaalsContact O-N 3.17Å; H297-R301 PolarHBondContact NE2-NH1 3.42Å; H297-R301 WeakPolarHBondContact O-CG 3.42Å; H297-R301 PolarHBondContact O-N 3.3Å |
| 298 | F | 66.4 | Low | 73.3 | Confident | 14 Ų | 14 | 67 Ų | 67 | 6% | 0.061 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 174.9 | -90.6 | -86.6 | 0 | 0 | 0 | 111.3 | V38 V41 L42 I61 S295 A300 R301 F302 | V38-F298 HydrophobicContact CG1-CE1 4.45Å; V41-F298 HydrophobicContact CG1-CD1 4.21Å; V41-F298 HydrophobicContact CG1-CE1 4.25Å; L42-F298 HydrophobicContact CD2-CE1 4.12Å; L42-F298 HydrophobicContact CD2-CZ 3.9Å; L42-F298 HydrophobicContact CG-CE1 4.32Å; L42-F298 HydrophobicContact CG-CZ 4.42Å; I61-F298 HydrophobicContact CD1-CE2 3.65Å; I61-F298 HydrophobicContact CD1-CZ 3.76Å; I61-F298 HydrophobicContact CG2-CZ 3.97Å; S295-F298 PolarHBondContact O-N 3.35Å; S295-F298 PolarHBondContact OG-N 2.91Å; F298-A300 VanDerWaalsContact C-N 3.31Å; F298-A300 PolarHBondContact O-N 3.48Å; F298-R301 PolarHBondContact O-N 2.92Å; F298-F302 WeakPolarHBondContact O-CB 3.49Å; F298-F302 PolarHBondContact O-N 2.94Å |
| 299 | R | 72.9 | Confident | 72.3 | Confident | 102 Ų | 102 | 67.8 Ų | 67.8 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.5 | -40.3 | 174.3 | -72.8 | -171.5 | -76.7 | 176.1 | -11.5 | 113.4 | A292 S295 R296 H297 F302 R303 | A292-R299 WeakPolarHBondContact O-CD 3.27Å; A292-R299 WeakPolarHBondContact O-CG 3.35Å; S295-R299 PolarHBondContact O-N 3.15Å; S295-R299 VanDerWaalsContact O-N 3.09Å; R296-R299 PolarHBondContact O-N 3.4Å; H297-R299 PolarHBondContact O-N 2.96Å; R299-F302 PolarHBondContact O-N 3.49Å; R299-R303 WeakPolarHBondContact O-CB 3.4Å; R299-R303 WeakPolarHBondContact O-CG 3.4Å; R299-R303 PolarHBondContact O-N 3.06Å; R299-R303 PolarHBondContact O-NE 2.9Å |
| 300 | A | 69.7 | Low | 71.5 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 31% | 0.314 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R296 H297 F298 R303 R304 | R296-A300 WeakPolarHBondContact O-CB 3.26Å; R296-A300 PolarHBondContact O-N 3.11Å; H297-A300 PolarHBondContact O-N 2.71Å; H297-A300 VanDerWaalsContact O-N 3.17Å; F298-A300 VanDerWaalsContact C-N 3.31Å; F298-A300 PolarHBondContact O-N 3.48Å; A300-R303 PolarHBondContact O-N 3.08Å; A300-R304 PolarHBondContact O-N 3.46Å |
| 301 | R | 71.8 | Confident | 70.7 | Confident | 41 Ų | 41 | 80.9 Ų | 80.9 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 175.9 | -64 | 173.8 | 106.5 | 149.4 | 3.6 | 112 | V41 D58 H297 F298 R303 R304 L305 | V41-R301 HydrophobicContact CG1-CB 3.51Å; V41-R301 HydrophobicContact CG1-CG 4.25Å; V41-R301 HydrophobicContact CG2-CB 4.48Å; D58-R301 IonicContact OD2-NH1 3.42Å; H297-R301 PolarHBondContact NE2-NH1 3.42Å; H297-R301 WeakPolarHBondContact O-CG 3.42Å; H297-R301 PolarHBondContact O-N 3.3Å; F298-R301 PolarHBondContact O-N 2.92Å; R301-R303 PolarHBondContact O-N 3.28Å; R301-R304 WeakPolarHBondContact O-CB 3.29Å; R301-R304 PolarHBondContact O-N 2.85Å; R301-R304 VanDerWaalsContact O-N 3.14Å; R301-L305 PolarHBondContact O-N 3.35Å; R301-L305 VanDerWaalsContact O-N 3.15Å |
| 302 | F | 74.5 | Confident | 70 | Confident | 46 Ų | 46 | 90.2 Ų | 90.2 | 20% | 0.202 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.4 | -43.9 | 175.7 | -138.4 | -88.5 | 0 | 0 | 0 | 112.5 | L37 V41 F298 R299 R304 L305 W306 | L37-F302 HydrophobicContact CB-CE2 3.58Å; L37-F302 HydrophobicContact CB-CZ 3.6Å; L37-F302 HydrophobicContact CD1-CE1 3.98Å; L37-F302 HydrophobicContact CD1-CE2 4.25Å; L37-F302 HydrophobicContact CD1-CZ 3.36Å; L37-F302 HydrophobicContact CD2-CZ 4.2Å; L37-F302 HydrophobicContact CG-CE2 4.36Å; L37-F302 HydrophobicContact CG-CZ 3.89Å; V41-F302 HydrophobicContact CG2-CD2 4.05Å; F298-F302 WeakPolarHBondContact O-CB 3.49Å; F298-F302 PolarHBondContact O-N 2.94Å; R299-F302 PolarHBondContact O-N 3.49Å; F302-R304 VanDerWaalsContact C-N 3.28Å; F302-R304 PolarHBondContact O-N 3.16Å; F302-L305 WeakPolarHBondContact O-CB 3.39Å; F302-L305 PolarHBondContact O-N 3.44Å; F302-W306 HydrophobicContact CD1-CD2 4.38Å; F302-W306 HydrophobicContact CD1-CE3 4.39Å; F302-W306 HydrophobicContact CD1-CH2 4.01Å; F302-W306 AromaticContact CD1-CZ2 3.97Å; F302-W306 HydrophobicContact CD1-CZ2 3.97Å; F302-W306 HydrophobicContact CD1-CZ3 4.21Å; F302-W306 HydrophobicContact CE1-CH2 4.03Å; F302-W306 AromaticContact CE1-CZ2 3.7Å; F302-W306 HydrophobicContact CE1-CZ2 3.7Å; F302-W306 PolarHBondContact O-N 2.99Å |
| 303 | R | 75.9 | Confident | 69.6 | Low | 131 Ų | 131 | 97.6 Ų | 97.6 | 49% | 0.494 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.5 | -34.8 | 175.9 | -75.1 | -176.9 | -64.3 | -144.9 | 4.6 | 112.4 | R299 A300 R301 W306 Q307 | R299-R303 WeakPolarHBondContact O-CB 3.4Å; R299-R303 WeakPolarHBondContact O-CG 3.4Å; R299-R303 PolarHBondContact O-N 3.06Å; R299-R303 PolarHBondContact O-NE 2.9Å; A300-R303 PolarHBondContact O-N 3.08Å; R301-R303 PolarHBondContact O-N 3.28Å; R303-W306 PolarHBondContact O-N 3.24Å; R303-Q307 VanDerWaalsContact O-CG 3.28Å; R303-Q307 WeakPolarHBondContact O-CG 3.19Å; R303-Q307 PolarHBondContact O-N 3.46Å |
| 304 | R | 71.4 | Confident | 69 | Low | 116 Ų | 116 | 97.1 Ų | 97.1 | 44% | 0.438 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 175.6 | -73.5 | -177.5 | -175.7 | -130.1 | 3.4 | 112.2 | A300 R301 F302 W306 Q307 C308 | A300-R304 PolarHBondContact O-N 3.46Å; R301-R304 WeakPolarHBondContact O-CB 3.29Å; R301-R304 PolarHBondContact O-N 2.85Å; R301-R304 VanDerWaalsContact O-N 3.14Å; F302-R304 VanDerWaalsContact C-N 3.28Å; F302-R304 PolarHBondContact O-N 3.16Å; R304-W306 VanDerWaalsContact C-N 3.27Å; R304-W306 PolarHBondContact O-N 3.49Å; R304-Q307 PolarHBondContact O-N 2.86Å; R304-Q307 VanDerWaalsContact O-N 3.12Å; R304-C308 WeakPolarHBondContact O-CB 3.39Å; R304-C308 PolarHBondContact O-N 3.35Å |
| 305 | L | 71 | Confident | 68.6 | Low | 32 Ų | 32 | 106 Ų | 106 | 17% | 0.168 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -54 | -46.9 | 172.7 | -87.6 | 173.5 | 0 | 0 | 0 | 111.6 | A40 V41 R301 F302 G309 | A40-L305 HydrophobicContact CB-CD1 4.35Å; V41-L305 HydrophobicContact CB-CD1 4.35Å; V41-L305 HydrophobicContact CG2-CD1 3.29Å; V41-L305 HydrophobicContact CG2-CG 4.31Å; R301-L305 PolarHBondContact O-N 3.35Å; R301-L305 VanDerWaalsContact O-N 3.15Å; F302-L305 WeakPolarHBondContact O-CB 3.39Å; F302-L305 PolarHBondContact O-N 3.44Å; L305-G309 PolarHBondContact O-N 3.4Å |
| 306 | W | 72.6 | Confident | 68.5 | Low | 162 Ų | 162 | 107.9 Ų | 107.9 | 61% | 0.614 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -64.9 | -39.7 | 176.2 | -75.7 | -27.7 | 0 | 0 | 0 | 113.2 | F302 R303 R304 R310 | F302-W306 HydrophobicContact CD1-CD2 4.38Å; F302-W306 HydrophobicContact CD1-CE3 4.39Å; F302-W306 HydrophobicContact CD1-CH2 4.01Å; F302-W306 AromaticContact CD1-CZ2 3.97Å; F302-W306 HydrophobicContact CD1-CZ2 3.97Å; F302-W306 HydrophobicContact CD1-CZ3 4.21Å; F302-W306 HydrophobicContact CE1-CH2 4.03Å; F302-W306 AromaticContact CE1-CZ2 3.7Å; F302-W306 HydrophobicContact CE1-CZ2 3.7Å; F302-W306 PolarHBondContact O-N 2.99Å; R303-W306 PolarHBondContact O-N 3.24Å; R304-W306 VanDerWaalsContact C-N 3.27Å; R304-W306 PolarHBondContact O-N 3.49Å; W306-R310 WeakPolarHBondContact O-CB 3.23Å; W306-R310 WeakPolarHBondContact O-CG 3.41Å; W306-R310 PolarHBondContact O-N 3.19Å |
| 307 | Q | 74.6 | Confident | 68.6 | Low | 108 Ų | 108 | 109.7 Ų | 109.7 | 51% | 0.505 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.3 | -42.1 | 177.9 | -70.3 | 171.8 | 17.8 | 0 | 0 | 112.8 | R303 R304 R310 R311 | R303-Q307 VanDerWaalsContact O-CG 3.28Å; R303-Q307 WeakPolarHBondContact O-CG 3.19Å; R303-Q307 PolarHBondContact O-N 3.46Å; R304-Q307 PolarHBondContact O-N 2.86Å; R304-Q307 VanDerWaalsContact O-N 3.12Å; Q307-R310 PolarHBondContact O-N 2.93Å; Q307-R311 WeakPolarHBondContact O-CG 3.21Å; Q307-R311 PolarHBondContact O-N 2.94Å |
| 308 | C | 64.7 | Low | 68.4 | Low | 67 Ų | 67 | 115.3 Ų | 115.3 | 45% | 0.453 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 174.7 | -75.4 | 0 | 0 | 0 | 0 | 111.4 | R304 R311 R312 | R304-C308 WeakPolarHBondContact O-CB 3.39Å; R304-C308 PolarHBondContact O-N 3.35Å; C308-R311 PolarHBondContact O-N 3.15Å; C308-R312 WeakPolarHBondContact O-CB 3.44Å; C308-R312 WeakPolarHBondContact O-CG 3.25Å; C308-R312 PolarHBondContact O-N 2.97Å |
| 309 | G | 65.8 | Low | 68.2 | Low | 30 Ų | 30 | 118.6 Ų | 118.6 | 31% | 0.309 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L305 R312 R313 | L305-G309 PolarHBondContact O-N 3.4Å; G309-R312 PolarHBondContact O-N 3.46Å; G309-R313 WeakPolarHBondContact O-CB 3.33Å; G309-R313 WeakPolarHBondContact O-CG 3.24Å; G309-R313 PolarHBondContact O-N 3.12Å |
| 310 | R | 69.7 | Low | 67.5 | Low | 197 Ų | 197 | 119.8 Ų | 119.8 | 74% | 0.743 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -46.2 | 173.5 | -80.3 | -178.7 | 174.6 | -155.7 | -0.8 | 112.2 | W306 Q307 R313 H314 | W306-R310 WeakPolarHBondContact O-CB 3.23Å; W306-R310 WeakPolarHBondContact O-CG 3.41Å; W306-R310 PolarHBondContact O-N 3.19Å; Q307-R310 PolarHBondContact O-N 2.93Å; R310-R313 PolarHBondContact O-N 3.01Å; R310-H314 WeakPolarHBondContact O-CB 3.48Å; R310-H314 PolarHBondContact O-N 3.03Å |
| 311 | R | 67.4 | Low | 66.9 | Low | 191 Ų | 191 | 128.6 Ų | 128.6 | 72% | 0.721 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.2 | -42.3 | 177.8 | -73.1 | 179.3 | -177 | -138.7 | 1.6 | 112.3 | Q307 C308 H314 R315 | Q307-R311 WeakPolarHBondContact O-CG 3.21Å; Q307-R311 PolarHBondContact O-N 2.94Å; C308-R311 PolarHBondContact O-N 3.15Å; R311-H314 PolarHBondContact O-N 3.24Å; R311-R315 WeakPolarHBondContact O-CB 3.43Å; R311-R315 PolarHBondContact O-N 3.47Å |
| 312 | R | 65.3 | Low | 66.1 | Low | 204 Ų | 204 | 137.3 Ų | 137.3 | 77% | 0.77 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.2 | -45.7 | 174.5 | -78.1 | -172.7 | 179.7 | -147.9 | 1.5 | 111.9 | C308 G309 H314 R315 A316 | C308-R312 WeakPolarHBondContact O-CB 3.44Å; C308-R312 WeakPolarHBondContact O-CG 3.25Å; C308-R312 PolarHBondContact O-N 2.97Å; G309-R312 PolarHBondContact O-N 3.46Å; R312-H314 VanDerWaalsContact C-N 3.33Å; R312-H314 PolarHBondContact O-N 3.23Å; R312-R315 PolarHBondContact O-N 3.42Å; R312-A316 WeakPolarHBondContact O-CB 3.4Å; R312-A316 PolarHBondContact O-N 3.27Å |
| 313 | R | 67.5 | Low | 65.2 | Low | 191 Ų | 191 | 140.2 Ų | 140.2 | 72% | 0.721 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.4 | -41.3 | 175 | -75.4 | 179.9 | 180 | -170 | 0.2 | 112.1 | G309 R310 R317 | G309-R313 WeakPolarHBondContact O-CB 3.33Å; G309-R313 WeakPolarHBondContact O-CG 3.24Å; G309-R313 PolarHBondContact O-N 3.12Å; R310-R313 PolarHBondContact O-N 3.01Å; R313-R317 WeakPolarHBondContact O-CB 3.24Å; R313-R317 WeakPolarHBondContact O-CG 3.45Å; R313-R317 PolarHBondContact O-N 3.14Å |
| 314 | H | 63.6 | Low | 63.8 | Low | 128 Ų | 128 | 142.1 Ų | 142.1 | 59% | 0.593 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.2 | -34.2 | 177.8 | -151.1 | -62.6 | 0 | 0 | 0 | 112.6 | R310 R311 R312 R318 | R310-H314 WeakPolarHBondContact O-CB 3.48Å; R310-H314 PolarHBondContact O-N 3.03Å; R311-H314 PolarHBondContact O-N 3.24Å; R312-H314 VanDerWaalsContact C-N 3.33Å; R312-H314 PolarHBondContact O-N 3.23Å; H314-R318 WeakPolarHBondContact O-CG 3.31Å; H314-R318 PolarHBondContact O-N 3.18Å |
| 315 | R | 61.4 | Low | 62.7 | Low | 202 Ų | 202 | 141.4 Ų | 141.4 | 76% | 0.762 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.3 | -46.2 | 174.9 | -150.5 | 177.3 | -170.7 | -162.5 | 2.9 | 111 | R311 R312 R317 R318 T319 | R311-R315 WeakPolarHBondContact O-CB 3.43Å; R311-R315 PolarHBondContact O-N 3.47Å; R312-R315 PolarHBondContact O-N 3.42Å; R315-R317 VanDerWaalsContact C-N 3.34Å; R315-R317 PolarHBondContact O-N 2.99Å; R315-R318 PolarHBondContact O-N 2.65Å; R315-R318 VanDerWaalsContact O-N 3.07Å; R315-T319 PolarHBondContact O-N 2.9Å; R315-T319 PolarHBondContact O-OG1 2.86Å |
| 316 | A | 64.5 | Low | 61.8 | Low | 50 Ų | 50 | 145 Ų | 145 | 41% | 0.413 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -58.7 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R312 R318 T319 L320 | R312-A316 WeakPolarHBondContact O-CB 3.4Å; R312-A316 PolarHBondContact O-N 3.27Å; A316-R318 PolarHBondContact O-N 3.33Å; A316-T319 PolarHBondContact O-N 3.34Å; A316-L320 PolarHBondContact O-N 2.88Å |
| 317 | R | 65.9 | Low | 60.4 | Low | 191 Ų | 191 | 142.6 Ų | 142.6 | 72% | 0.721 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -63.9 | -35.4 | 173.5 | -75.8 | -178.9 | 175.4 | -164.9 | -2.8 | 113.3 | R313 R315 R321 | R313-R317 WeakPolarHBondContact O-CB 3.24Å; R313-R317 WeakPolarHBondContact O-CG 3.45Å; R313-R317 PolarHBondContact O-N 3.14Å; R315-R317 VanDerWaalsContact C-N 3.34Å; R315-R317 PolarHBondContact O-N 2.99Å; R317-R321 PolarHBondContact O-N 3.35Å; R317-R321 VanDerWaalsContact O-N 3.14Å |
| 318 | R | 60.3 | Low | 58.6 | Low | 180 Ų | 180 | 143.3 Ų | 143.3 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71.3 | -34.8 | 174 | -75.5 | 178 | 91.8 | 167.2 | 6.2 | 112.2 | H314 R315 A316 R322 | H314-R318 WeakPolarHBondContact O-CG 3.31Å; H314-R318 PolarHBondContact O-N 3.18Å; R315-R318 PolarHBondContact O-N 2.65Å; R315-R318 VanDerWaalsContact O-N 3.07Å; A316-R318 PolarHBondContact O-N 3.33Å; R318-R322 PolarHBondContact O-N 3Å |
| 319 | T | 61.8 | Low | 57.4 | Low | 84 Ų | 84 | 143.3 Ų | 143.3 | 52% | 0.515 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -68.8 | -44.8 | 175.6 | -41.9 | 0 | 0 | 0 | 0 | 111.2 | R315 A316 R321 R322 V323 | R315-T319 PolarHBondContact O-N 2.9Å; R315-T319 PolarHBondContact O-OG1 2.86Å; A316-T319 PolarHBondContact O-N 3.34Å; T319-R321 VanDerWaalsContact C-N 3.34Å; T319-R321 PolarHBondContact O-N 3Å; T319-R322 PolarHBondContact O-N 2.77Å; T319-V323 WeakPolarHBondContact O-CG2 3.27Å; T319-V323 PolarHBondContact O-N 3.06Å |
| 320 | L | 58.7 | Low | 56.2 | Low | 127 Ų | 127 | 148 Ų | 148 | 67% | 0.665 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -60.5 | -39.1 | 174.6 | -82.3 | 155 | 0 | 0 | 0 | 112.7 | A316 R322 V323 | A316-L320 PolarHBondContact O-N 2.88Å; L320-R322 VanDerWaalsContact C-N 3.26Å; L320-R322 PolarHBondContact O-N 2.73Å; L320-V323 PolarHBondContact O-N 3.24Å |
| 321 | R | 56.3 | Low | 54.8 | Low | 223 Ų | 223 | 144.8 Ų | 144.8 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -67 | -20.7 | 173.4 | -95.4 | -173.4 | 170.6 | -155.5 | -1.7 | 114.6 | R317 T319 | R317-R321 PolarHBondContact O-N 3.35Å; R317-R321 VanDerWaalsContact O-N 3.14Å; T319-R321 VanDerWaalsContact C-N 3.34Å; T319-R321 PolarHBondContact O-N 3Å |
| 322 | R | 54.7 | Low | 53.1 | Low | 223 Ų | 223 | 139.5 Ų | 139.5 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -86.7 | -17.2 | 175.4 | -87.9 | -174.6 | 173 | -169.7 | -3.5 | 113.3 | R318 T319 L320 | R318-R322 PolarHBondContact O-N 3Å; T319-R322 PolarHBondContact O-N 2.77Å; L320-R322 VanDerWaalsContact C-N 3.26Å; L320-R322 PolarHBondContact O-N 2.73Å |
| 323 | V | 56.3 | Low | 51.5 | Low | 108 Ų | 108 | 135.8 Ų | 135.8 | 66% | 0.655 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -90.6 | -7.6 | -178.2 | 177.8 | 0 | 0 | 0 | 0 | 112.6 | T319 L320 P325 | T319-V323 WeakPolarHBondContact O-CG2 3.27Å; T319-V323 PolarHBondContact O-N 3.06Å; L320-V323 PolarHBondContact O-N 3.24Å; V323-P325 WeakPolarHBondContact O-CD 3Å |
| 324 | H | 47.3 | Very low | 50.4 | Low | 171 Ų | 171 | 133 Ų | 133 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -95.7 | 86.7 | 157.1 | -87.4 | -40.5 | 0 | 0 | 0 | 109.6 | ||
| 325 | P | 47.3 | Very low | 48.8 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 65% | 0.649 | 75% | 0.751 | S | S | * | * | trans | -67.4 | 136.6 | 161 | 30.1 | -30.1 | 0 | 0 | 0 | 107.9 | V323 S327 | V323-P325 WeakPolarHBondContact O-CD 3Å; P325-S327 PolarHBondContact O-N 3.14Å | ||
| 326 | A | 51.8 | Low | 47.4 | Very low | 107 Ų | 107 | 128.8 Ų | 128.8 | 88% | 0.884 | 76% | 0.756 | S | S | * | * | trans | -55.9 | 110.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 327 | S | 43.2 | Very low | 45.9 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -107.6 | 120.8 | 151.2 | 60.3 | 0 | 0 | 0 | 0 | 104.9 | P325 | P325-S327 PolarHBondContact O-N 3.14Š| ||
| 328 | S | 38.2 | Very low | 44.3 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | -162.5 | 121 | 64.4 | 49.1 | 0 | 0 | 0 | 0 | 112 | |||||
| 329 | G | 38.8 | Very low | 44 | Very low | 67 Ų | 67 | 129.3 Ų | 129.3 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | -142.3 | 126.7 | 152.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 330 | P | 40.7 | Very low | 42.7 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 147.6 | -171.7 | 29.7 | -32.3 | 0 | 0 | 0 | 111.3 | ||
| 331 | P | 39.6 | Very low | 41.3 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 84% | 0.844 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 119.4 | 176.6 | 31.1 | -28.5 | 0 | 0 | 0 | 110.6 | ||
| 332 | G | 32.4 | Very low | 40.1 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 141.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 333 | C | 30.8 | Very low | 39 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 86% | 0.858 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 165.9 | -165 | -74.6 | 0 | 0 | 0 | 0 | 117.6 | ||
| 334 | P | 44.3 | Very low | 39 | Very low | 132 Ų | 132 | 134 Ų | 134 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 144.9 | 176.6 | 36.2 | -30.1 | 0 | 0 | 0 | 114.1 | ||
| 335 | G | 31.4 | Very low | 38.4 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 164.2 | 144 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 336 | D | 31.4 | Very low | 37.6 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | cis | -170.8 | 163.1 | 9.6 | -157.4 | -4.2 | 0 | 0 | 0 | 108.4 | ||||
| 337 | A | 31.9 | Very low | 36.5 | Very low | 82 Ų | 82 | 129 Ų | 129 | 68% | 0.678 | 83% | 0.829 | S | S | * | * | trans | 64.8 | 141.7 | 162 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 338 | R | 32.3 | Very low | 35.9 | Very low | 239 Ų | 239 | 127.1 Ų | 127.1 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | cis | -168.9 | 169.6 | 3.9 | -116.1 | -175.2 | -173.8 | -171 | 3.9 | 109.4 | ||||
| 339 | P | 54.1 | Low | 35.8 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | trans | -107.5 | 163.4 | -176.1 | 39.3 | -29.6 | 0 | 0 | 0 | 114.8 | ||||
| 340 | R | 35.3 | Very low | 35.5 | Very low | 262 Ų | 262 | 133.9 Ų | 133.9 | 99% | 0.989 | 83% | 0.834 | S | S | * | * | trans | 138.9 | 139.7 | 161 | -82.8 | 168.7 | 178.6 | -166.5 | 0.4 | 109.3 | ||||
| 341 | G | 28.6 | Very low | 35.4 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | cis | 165.1 | 159.7 | 2.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 342 | R | 31.2 | Very low | 35.2 | Very low | 254 Ų | 254 | 138.1 Ų | 138.1 | 96% | 0.958 | 84% | 0.837 | S | S | * | * | trans | 70 | 125.6 | 157.2 | -66.8 | -174.3 | 179.6 | -152.3 | -0.4 | 122.5 | ||||
| 343 | L | 33.3 | Very low | 36.2 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -51.6 | -176.4 | 154.5 | -78.4 | 153 | 0 | 0 | 0 | 115.1 | ||||
| 344 | P | 55.8 | Low | 36.5 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | cis | -139.4 | -174.1 | -21.1 | 29.1 | -5.2 | 0 | 0 | 0 | 115.7 | ||||
| 345 | A | 34.3 | Very low | 36.2 | Very low | 103 Ų | 103 | 143 Ų | 143 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | 104.9 | 132.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 346 | G | 30.3 | Very low | 36.3 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | 92 | 130.5 | 153.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 347 | G | 29.4 | Very low | 37.1 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | cis | 157.4 | 150.7 | 8.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 348 | G | 30.8 | Very low | 37.3 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 122 | 84.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 349 | R | 35.9 | Very low | 37.6 | Very low | 261 Ų | 261 | 138.7 Ų | 138.7 | 99% | 0.985 | 81% | 0.806 | S | S | * | * | 61.5 | 120.2 | 87.5 | -75.3 | -168 | 178.8 | -162.7 | 0.7 | 114.5 | |||||
| 350 | G | 32.6 | Very low | 36.8 | Very low | 71 Ų | 71 | 136.6 Ų | 136.6 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 171.9 | 62.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 351 | L | 37.5 | Very low | 36.8 | Very low | 175 Ų | 175 | 127.3 Ų | 127.3 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | 49.1 | 101.1 | 145.3 | -72.8 | 137.4 | 0 | 0 | 0 | 121 | ||||
| 352 | E | 36.8 | Very low | 37.2 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | -37.6 | -176 | 133.7 | -104.5 | -152.2 | 122.7 | 0 | 0 | 116.3 | ||||
| 353 | P | 53.1 | Low | 37.7 | Very low | 90 Ų | 90 | 125.4 Ų | 125.4 | 58% | 0.584 | 79% | 0.788 | S | S | * | * | cis | -145.9 | -161.7 | -31.5 | 34.2 | -11.6 | 0 | 0 | 0 | 114.5 | ||||
| 354 | R | 36.1 | Very low | 38 | Very low | 203 Ų | 203 | 122.3 Ų | 122.3 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | 107 | 139 | 152 | -61.8 | -168.7 | 118.7 | 162 | -9.9 | 114.8 | ||||
| 355 | E | 37.4 | Very low | 37.1 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | cis | -164.7 | 153.1 | 5.1 | -115.8 | 164.7 | 168.1 | 0 | 0 | 107.3 | ||||
| 356 | G | 33.3 | Very low | 38.4 | Very low | 71 Ų | 71 | 121.3 Ų | 121.3 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -80.6 | -145 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 357 | P | 48.9 | Very low | 38.8 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | cis | -135.2 | -180 | -37.6 | 38.8 | -22.2 | 0 | 0 | 0 | 112.7 | ||||
| 358 | A | 36.7 | Very low | 39.3 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | trans | 69.7 | 154.7 | 140.6 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 359 | H | 39 | Very low | 39.7 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | 82.6 | 137 | 169.7 | -64.5 | -73.8 | 0 | 0 | 0 | 116.9 | ||||
| 360 | G | 35.7 | Very low | 39.9 | Very low | 69 Ų | 69 | 128.9 Ų | 128.9 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 150.3 | 146.8 | 7.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 361 | G | 35.9 | Very low | 40.4 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | 78.6 | 124.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 362 | E | 38.2 | Very low | 40.5 | Very low | 199 Ų | 199 | 129.7 Ų | 129.7 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | 76.5 | 136.4 | 79 | -155.2 | 168.5 | 143.7 | 0 | 0 | 110.2 | |||||
| 363 | A | 39.8 | Very low | 40.8 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | cis | -174.8 | -179.8 | -7 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 364 | A | 40.4 | Very low | 39.9 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 78.9 | 119.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 365 | G | 37.6 | Very low | 40.2 | Very low | 72 Ų | 72 | 123.8 Ų | 123.8 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -83.7 | -145.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 366 | P | 61.5 | Low | 40.4 | Very low | 124 Ų | 124 | 121.8 Ų | 121.8 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | cis | -120.1 | 165.8 | -29.5 | 38.2 | -24.5 | 0 | 0 | 0 | 111.6 | ||||
| 367 | E | 38.2 | Very low | 41.1 | Very low | 277 Ų | 277 | 126.4 Ų | 126.4 | 100% | 1.294 | 82% | 0.823 | S | S | * | * | trans | -145 | 0 | 143.7 | -79.5 | -158.2 | 120.3 | 0 | 0 | 109.2 |
Retrieved 367 of 367 residues in 342.6 ms
(Link to these results)