| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 57.4 | Low | 227 Ų | 227 | 126.1 Ų | 126.1 | 100% | 1.118 | 66% | 0.661 | S | S | * | * | 0 | 88.5 | 0 | -174.5 | 171.3 | 163.7 | 0 | 0 | 107.4 | T3 | M1-T3 PolarHBondContact O-N 2.96Å; M1-T3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | L | 40.4 | Very low | 58.4 | Low | 145 Ų | 145 | 117.2 Ų | 117.2 | 76% | 0.759 | 62% | 0.616 | S | S | * | * | trans | -72.4 | 101.6 | 177.7 | -89.3 | 153.5 | 0 | 0 | 0 | 107.9 | L4 | L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 3.13Å | ||
| 3 | T | 46.1 | Very low | 59.4 | Low | 121 Ų | 121 | 115.9 Ų | 115.9 | 74% | 0.742 | 62% | 0.615 | S | S | * | * | trans | -66.2 | 95.2 | 166.7 | 47.2 | 0 | 0 | 0 | 0 | 107.4 | M1 E5 | M1-T3 PolarHBondContact O-N 2.96Å; M1-T3 VanDerWaalsContact O-N 3.13Å; T3-E5 PolarHBondContact O-N 2.99Å | ||
| 4 | L | 53.1 | Low | 60.1 | Low | 133 Ų | 133 | 119.1 Ų | 119.1 | 70% | 0.696 | 62% | 0.621 | S | S | * | * | trans | -56.8 | 107.7 | 170.2 | -84.5 | 153.2 | 0 | 0 | 0 | 107.9 | L2 K236 | L2-L4 VanDerWaalsContact C-N 3.31Å; L2-L4 PolarHBondContact O-N 3.13Å; L4-K236 HydrophobicContact CD2-CD 3.77Å | ||
| 5 | E | 54.6 | Low | 60.7 | Low | 161 Ų | 161 | 112.7 Ų | 112.7 | 75% | 0.752 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 134.8 | 172.1 | -85.2 | -167.5 | 139.8 | 0 | 0 | 109.4 | T3 I7 K236 | T3-E5 PolarHBondContact O-N 2.99Å; E5-I7 PolarHBondContact O-N 2.72Å; E5-K236 PolarHBondContact O-NZ 3.13Å |
| 6 | P | 58.8 | Low | 61.7 | Low | 122 Ų | 122 | 106.4 Ų | 106.4 | 79% | 0.792 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -57 | 128.9 | 176.5 | 23.2 | -31.2 | 0 | 0 | 0 | 108.9 | S8 | P6-S8 PolarHBondContact O-N 2.63Å; P6-S8 VanDerWaalsContact O-N 3.1Å |
| 7 | I | 62.1 | Low | 62.6 | Low | 45 Ų | 45 | 102.1 Ų | 102.1 | 23% | 0.231 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -56.6 | 123.7 | 176.9 | -63.5 | 142.1 | 0 | 0 | 0 | 107.6 | E5 R9 A11 V12 L232 K236 | E5-I7 PolarHBondContact O-N 2.72Å; I7-R9 PolarHBondContact O-N 3.36Å; I7-A11 HydrophobicContact CG2-CB 4.31Å; I7-V12 HydrophobicContact CG2-CG2 3.9Å; I7-L232 HydrophobicContact CD1-CB 3.44Å; I7-L232 VanDerWaalsContact CD1-CB 3.44Å; I7-L232 HydrophobicContact CD1-CD1 3.87Å; I7-L232 HydrophobicContact CD1-CG 4.19Å; I7-L232 HydrophobicContact CG1-CB 4.18Å; I7-L232 HydrophobicContact CG2-CD1 4.05Å; I7-L232 HydrophobicContact CG2-CD2 4.03Å; I7-L232 HydrophobicContact CG2-CG 4.46Å; I7-K236 HydrophobicContact CG1-CD 4.46Å |
| 8 | S | 69.3 | Low | 63.5 | Low | 64 Ų | 64 | 101.6 Ų | 101.6 | 45% | 0.448 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 129.2 | 179.9 | 174.4 | 0 | 0 | 0 | 0 | 110.2 | P6 I10 A11 V12 | P6-S8 PolarHBondContact O-N 2.63Å; P6-S8 VanDerWaalsContact O-N 3.1Å; S8-I10 PolarHBondContact O-N 3.22Å; S8-I10 VanDerWaalsContact O-N 3.11Å; S8-I10 PolarHBondContact OG-N 3.47Å; S8-A11 WeakPolarHBondContact O-CA 3.2Å; S8-A11 VanDerWaalsContact O-CB 3.31Å; S8-A11 WeakPolarHBondContact O-CB 3.47Å; S8-A11 PolarHBondContact O-N 3.26Å; S8-V12 PolarHBondContact O-N 3.1Å |
| 9 | R | 70.3 | Confident | 64.4 | Low | 218 Ų | 218 | 100.5 Ų | 100.5 | 82% | 0.823 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -53.3 | -33.6 | 175.8 | -63.2 | -180 | -177.2 | -176.5 | 0.6 | 111.3 | I7 A11 V12 V13 | I7-R9 PolarHBondContact O-N 3.36Å; R9-A11 VanDerWaalsContact C-N 3.35Å; R9-V12 PolarHBondContact O-N 3.26Å; R9-V13 WeakPolarHBondContact O-CG2 3.22Å; R9-V13 PolarHBondContact O-N 2.79Å |
| 10 | I | 68.1 | Low | 65.7 | Low | 107 Ų | 107 | 96.4 Ų | 96.4 | 55% | 0.549 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 176.5 | -61.1 | 169.1 | 0 | 0 | 0 | 110.8 | S8 V13 K14 | S8-I10 PolarHBondContact O-N 3.22Å; S8-I10 VanDerWaalsContact O-N 3.11Å; S8-I10 PolarHBondContact OG-N 3.47Å; I10-V13 PolarHBondContact O-N 3Å; I10-K14 HydrophobicContact CG2-CD 3.93Å; I10-K14 HydrophobicContact CG2-CG 4.25Å; I10-K14 WeakPolarHBondContact O-CB 3.12Å; I10-K14 WeakPolarHBondContact O-CG 3.31Å; I10-K14 PolarHBondContact O-N 3.23Å |
| 11 | A | 69.8 | Low | 67 | Low | 44 Ų | 44 | 95.8 Ų | 95.8 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | I7 S8 R9 C15 | I7-A11 HydrophobicContact CG2-CB 4.31Å; S8-A11 WeakPolarHBondContact O-CA 3.2Å; S8-A11 VanDerWaalsContact O-CB 3.31Å; S8-A11 WeakPolarHBondContact O-CB 3.47Å; S8-A11 PolarHBondContact O-N 3.26Å; R9-A11 VanDerWaalsContact C-N 3.35Å; A11-C15 WeakPolarHBondContact O-CB 3.34Å; A11-C15 PolarHBondContact O-N 2.97Å |
| 12 | V | 70.2 | Confident | 69.7 | Low | 19 Ų | 19 | 89.8 Ų | 89.8 | 12% | 0.115 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -60.1 | -50 | 174.7 | -179 | 0 | 0 | 0 | 0 | 110.6 | I7 S8 R9 C15 L16 W176 L232 | I7-V12 HydrophobicContact CG2-CG2 3.9Å; S8-V12 PolarHBondContact O-N 3.1Å; R9-V12 PolarHBondContact O-N 3.26Å; V12-C15 PolarHBondContact O-N 2.98Å; V12-L16 HydrophobicContact CG1-CD1 3.53Å; V12-L16 HydrophobicContact CG1-CG 4.08Å; V12-L16 VanDerWaalsContact O-CB 3.3Å; V12-L16 WeakPolarHBondContact O-CB 3.2Å; V12-L16 VanDerWaalsContact O-CG 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 3.18Å; V12-W176 HydrophobicContact CG1-CH2 4.29Å; V12-W176 HydrophobicContact CG1-CZ2 3.98Å; V12-L232 HydrophobicContact CG2-CD1 3.96Å |
| 13 | V | 71.1 | Confident | 72.3 | Confident | 101 Ų | 101 | 83.1 Ų | 83.1 | 61% | 0.612 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | -179.8 | 173.3 | 0 | 0 | 0 | 0 | 112 | R9 I10 C15 L16 G17 | R9-V13 WeakPolarHBondContact O-CG2 3.22Å; R9-V13 PolarHBondContact O-N 2.79Å; I10-V13 PolarHBondContact O-N 3Å; V13-C15 VanDerWaalsContact C-N 3.28Å; V13-C15 PolarHBondContact O-N 3.09Å; V13-L16 PolarHBondContact O-N 3.33Å; V13-G17 WeakPolarHBondContact O-CA 3.1Å; V13-G17 PolarHBondContact O-N 3.19Å |
| 14 | K | 69.5 | Low | 74.7 | Confident | 160 Ų | 160 | 82.6 Ų | 82.6 | 70% | 0.696 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -64.2 | -35.3 | 177.8 | -75.6 | -177.5 | 176.6 | -176.4 | 0 | 112.2 | I10 P18 | I10-K14 HydrophobicContact CG2-CD 3.93Å; I10-K14 HydrophobicContact CG2-CG 4.25Å; I10-K14 WeakPolarHBondContact O-CB 3.12Å; I10-K14 WeakPolarHBondContact O-CG 3.31Å; I10-K14 PolarHBondContact O-N 3.23Å; K14-P18 WeakPolarHBondContact O-CD 3.44Å |
| 15 | C | 69.3 | Low | 76.8 | Confident | 24 Ų | 24 | 83 Ų | 83 | 16% | 0.162 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -72.3 | -50.4 | 177.9 | -160.6 | 0 | 0 | 0 | 0 | 110.4 | A11 V12 V13 R19 | A11-C15 WeakPolarHBondContact O-CB 3.34Å; A11-C15 PolarHBondContact O-N 2.97Å; V12-C15 PolarHBondContact O-N 2.98Å; V13-C15 VanDerWaalsContact C-N 3.28Å; V13-C15 PolarHBondContact O-N 3.09Å; C15-R19 WeakPolarHBondContact O-CD 3.5Å; C15-R19 PolarHBondContact O-NE 3.12Å; C15-R19 VanDerWaalsContact SG-CZ 3.58Å; C15-R19 PolarHBondContact SG-NH1 3.18Å |
| 16 | L | 76.7 | Confident | 78.8 | Confident | 12 Ų | 12 | 76.4 Ų | 76.4 | 6% | 0.063 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -83.2 | -38.9 | -171 | -61.9 | -172.2 | 0 | 0 | 0 | 114.6 | V12 V13 R19 L20 F57 W176 V225 V228 | V12-L16 HydrophobicContact CG1-CD1 3.53Å; V12-L16 HydrophobicContact CG1-CG 4.08Å; V12-L16 VanDerWaalsContact O-CB 3.3Å; V12-L16 WeakPolarHBondContact O-CB 3.2Å; V12-L16 VanDerWaalsContact O-CG 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 3.18Å; V13-L16 PolarHBondContact O-N 3.33Å; L16-R19 WeakPolarHBondContact O-CB 3.23Å; L16-R19 PolarHBondContact O-N 3.03Å; L16-L20 HydrophobicContact CB-CD1 4.24Å; L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 3.11Å; L16-F57 HydrophobicContact CD2-CE2 3.74Å; L16-F57 HydrophobicContact CD2-CZ 3.64Å; L16-W176 HydrophobicContact CD1-CH2 3.92Å; L16-V225 HydrophobicContact CD1-CB 4.49Å; L16-V225 HydrophobicContact CD1-CG1 4.46Å; L16-V228 HydrophobicContact CD1-CG1 4.3Å; L16-V228 HydrophobicContact CD1-CG2 4.13Å; L16-V228 HydrophobicContact CD2-CB 4.29Å; L16-V228 HydrophobicContact CD2-CG1 3.79Å; L16-V228 HydrophobicContact CD2-CG2 3.49Å; L16-V228 VanDerWaalsContact CD2-CG2 3.49Å; L16-V228 HydrophobicContact CG-CG1 4.36Å; L16-V228 HydrophobicContact CG-CG2 4.42Å |
| 17 | G | 76.6 | Confident | 80.6 | Confident | 33 Ų | 33 | 73.2 Ų | 73.2 | 34% | 0.34 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -50 | -59.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V13 R19 L20 V21 | V13-G17 WeakPolarHBondContact O-CA 3.1Å; V13-G17 PolarHBondContact O-N 3.19Å; G17-R19 PolarHBondContact O-N 2.87Å; G17-R19 VanDerWaalsContact O-N 3.1Å; G17-L20 PolarHBondContact O-N 3.39Å; G17-V21 WeakPolarHBondContact O-CG2 3.1Å; G17-V21 PolarHBondContact O-N 3.4Å |
| 18 | P | 77.8 | Confident | 82.2 | Confident | 92 Ų | 92 | 73.5 Ų | 73.5 | 60% | 0.597 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -58.5 | -27.8 | -179.3 | -25.1 | 35 | 0 | 0 | 0 | 113.8 | K14 V21 | K14-P18 WeakPolarHBondContact O-CD 3.44Å; P18-V21 WeakPolarHBondContact O-CB 3.4Å; P18-V21 WeakPolarHBondContact O-CG2 3.32Å |
| 19 | R | 80.4 | Confident | 83.5 | Confident | 81 Ų | 81 | 73.7 Ų | 73.7 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -85.6 | -27.6 | -174 | -58.5 | 163 | 178.8 | -173.9 | -5.1 | 111.9 | C15 L16 G17 V21 F57 Y61 | C15-R19 WeakPolarHBondContact O-CD 3.5Å; C15-R19 PolarHBondContact O-NE 3.12Å; C15-R19 VanDerWaalsContact SG-CZ 3.58Å; C15-R19 PolarHBondContact SG-NH1 3.18Å; L16-R19 WeakPolarHBondContact O-CB 3.23Å; L16-R19 PolarHBondContact O-N 3.03Å; G17-R19 PolarHBondContact O-N 2.87Å; G17-R19 VanDerWaalsContact O-N 3.1Å; R19-V21 VanDerWaalsContact C-N 3.33Å; R19-F57 HydrophobicContact CB-CD2 4.07Å; R19-F57 HydrophobicContact CB-CE2 4.28Å; R19-Y61 HydrophobicContact CB-CE2 4.19Å; R19-Y61 WeakPolarHBondContact CD-OH 3.31Å; R19-Y61 HydrophobicContact CG-CE2 3.96Å; R19-Y61 VanDerWaalsContact CZ-OH 3.23Å; R19-Y61 PolarHBondContact NE-OH 3.38Å; R19-Y61 VanDerWaalsContact NH1-CZ 3.26Å |
| 20 | L | 91.4 | Very high | 84.7 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 9% | 0.094 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -84.6 | -7.6 | 173.2 | -63.6 | 175 | 0 | 0 | 0 | 112.6 | L16 G17 L22 F23 F24 L54 F57 L221 V225 | L16-L20 HydrophobicContact CB-CD1 4.24Å; L16-L20 WeakPolarHBondContact O-CG 3.22Å; L16-L20 PolarHBondContact O-N 3.11Å; G17-L20 PolarHBondContact O-N 3.39Å; L20-L22 PolarHBondContact O-N 3.08Å; L20-F23 WeakPolarHBondContact O-CB 3.37Å; L20-F23 PolarHBondContact O-N 3.29Å; L20-F24 HydrophobicContact CB-CD2 4.21Å; L20-F24 HydrophobicContact CB-CE2 3.96Å; L20-F24 WeakPolarHBondContact O-CD2 3.34Å; L20-F24 PolarHBondContact O-N 3.24Å; L20-L54 HydrophobicContact CD2-CD2 4.38Å; L20-F57 HydrophobicContact CD2-CD2 3.83Å; L20-F57 HydrophobicContact CD2-CE2 3.91Å; L20-F57 HydrophobicContact CD2-CG 4.23Å; L20-F57 HydrophobicContact CD2-CZ 4.37Å; L20-F57 HydrophobicContact CG-CD2 4.48Å; L20-F57 HydrophobicContact CG-CE2 4.26Å; L20-L221 HydrophobicContact CD1-CD1 4.06Å; L20-L221 HydrophobicContact CD2-CD1 3.58Å; L20-L221 HydrophobicContact CG-CD1 4.35Å; L20-V225 HydrophobicContact CD1-CG1 3.93Å; L20-V225 HydrophobicContact CD2-CG1 4.36Å |
| 21 | V | 92.8 | Very high | 85.9 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -54.3 | -41.1 | 174.8 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | G17 P18 R19 F23 F24 K25 | G17-V21 WeakPolarHBondContact O-CG2 3.1Å; G17-V21 PolarHBondContact O-N 3.4Å; P18-V21 WeakPolarHBondContact O-CB 3.4Å; P18-V21 WeakPolarHBondContact O-CG2 3.32Å; R19-V21 VanDerWaalsContact C-N 3.33Å; V21-F23 VanDerWaalsContact C-N 3.32Å; V21-F23 PolarHBondContact O-N 2.87Å; V21-F24 PolarHBondContact O-N 3.49Å; V21-K25 VanDerWaalsContact O-CB 3.26Å; V21-K25 WeakPolarHBondContact O-CB 3.18Å; V21-K25 PolarHBondContact O-N 3.22Å |
| 22 | L | 94.4 | Very high | 87.1 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 52% | 0.524 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 178.9 | -176.1 | 61.2 | 0 | 0 | 0 | 111.6 | L20 K25 T26 | L20-L22 PolarHBondContact O-N 3.08Å; L22-K25 PolarHBondContact O-N 3.21Å; L22-T26 HydrophobicContact CD1-CG2 4.23Å; L22-T26 WeakPolarHBondContact O-CG2 3.33Å; L22-T26 PolarHBondContact O-N 3.46Å; L22-T26 PolarHBondContact O-OG1 2.97Å; L22-T26 VanDerWaalsContact O-OG1 3.04Å |
| 23 | F | 96.9 | Very high | 88.4 | Confident | 6 Ų | 6 | 68.2 Ų | 68.2 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.9 | -50.8 | 176.3 | 170.1 | -95.2 | 0 | 0 | 0 | 112.1 | L20 V21 K25 T26 F27 P50 S53 L54 L221 | L20-F23 WeakPolarHBondContact O-CB 3.37Å; L20-F23 PolarHBondContact O-N 3.29Å; V21-F23 VanDerWaalsContact C-N 3.32Å; V21-F23 PolarHBondContact O-N 2.87Å; F23-K25 VanDerWaalsContact C-N 3.27Å; F23-K25 PolarHBondContact O-N 2.91Å; F23-T26 PolarHBondContact O-N 3.04Å; F23-T26 PolarHBondContact O-OG1 2.96Å; F23-T26 VanDerWaalsContact O-OG1 3.08Å; F23-F27 VanDerWaalsContact O-CB 3.23Å; F23-F27 WeakPolarHBondContact O-CB 3.41Å; F23-F27 PolarHBondContact O-N 3Å; F23-P50 HydrophobicContact CD2-CB 3.88Å; F23-P50 WeakPolarHBondContact CD2-O 3.34Å; F23-P50 HydrophobicContact CE2-CB 3.77Å; F23-S53 WeakPolarHBondContact CA-OG 3.18Å; F23-S53 VanDerWaalsContact CB-OG 3.25Å; F23-S53 WeakPolarHBondContact CB-OG 3.49Å; F23-S53 PolarHBondContact N-OG 3.4Å; F23-L54 HydrophobicContact CB-CD2 4.29Å; F23-L54 HydrophobicContact CD2-CD1 3.9Å; F23-L54 HydrophobicContact CD2-CD2 3.69Å; F23-L54 HydrophobicContact CD2-CG 3.59Å; F23-L54 HydrophobicContact CE2-CD1 3.69Å; F23-L54 HydrophobicContact CE2-CD2 4.2Å; F23-L54 HydrophobicContact CE2-CG 3.95Å; F23-L54 HydrophobicContact CG-CD2 4.03Å; F23-L54 HydrophobicContact CG-CG 4.4Å; F23-L221 HydrophobicContact CD1-CD1 4.05Å; F23-L221 HydrophobicContact CD1-CD2 4.28Å; F23-L221 HydrophobicContact CE1-CB 4.07Å; F23-L221 HydrophobicContact CE1-CD1 4.15Å; F23-L221 HydrophobicContact CE1-CD2 3.78Å; F23-L221 HydrophobicContact CE1-CG 4.21Å; F23-L221 HydrophobicContact CE2-CB 4.5Å; F23-L221 HydrophobicContact CG-CD1 4.45Å; F23-L221 HydrophobicContact CZ-CB 3.9Å; F23-L221 HydrophobicContact CZ-CD2 4.43Å |
| 24 | F | 96 | Very high | 89.5 | Confident | 110 Ų | 110 | 65.2 Ų | 65.2 | 48% | 0.482 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.6 | -34.7 | 179.4 | -70.3 | -67.3 | 0 | 0 | 0 | 111.9 | L20 V21 A28 L221 | L20-F24 HydrophobicContact CB-CD2 4.21Å; L20-F24 HydrophobicContact CB-CE2 3.96Å; L20-F24 WeakPolarHBondContact O-CD2 3.34Å; L20-F24 PolarHBondContact O-N 3.24Å; V21-F24 PolarHBondContact O-N 3.49Å; F24-A28 VanDerWaalsContact O-CB 3.26Å; F24-A28 WeakPolarHBondContact O-CB 3.37Å; F24-A28 PolarHBondContact O-N 3.11Å; F24-L221 HydrophobicContact CE1-CD2 4.31Å; F24-L221 HydrophobicContact CZ-CD2 3.86Å |
| 25 | K | 96.2 | Very high | 90.5 | Very high | 141 Ų | 141 | 62.6 Ų | 62.6 | 61% | 0.613 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.2 | -48.5 | 175.4 | -176 | 179.2 | 177 | -179.3 | 0 | 111.7 | V21 L22 F23 L29 | V21-K25 VanDerWaalsContact O-CB 3.26Å; V21-K25 WeakPolarHBondContact O-CB 3.18Å; V21-K25 PolarHBondContact O-N 3.22Å; L22-K25 PolarHBondContact O-N 3.21Å; F23-K25 VanDerWaalsContact C-N 3.27Å; F23-K25 PolarHBondContact O-N 2.91Å; K25-L29 WeakPolarHBondContact O-CB 3.39Å; K25-L29 PolarHBondContact O-N 3.48Å |
| 26 | T | 96.6 | Very high | 91.4 | Very high | 22 Ų | 22 | 69.5 Ų | 69.5 | 14% | 0.135 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.3 | -37.2 | 179.7 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | L22 F23 L29 F30 A49 P50 | L22-T26 HydrophobicContact CD1-CG2 4.23Å; L22-T26 WeakPolarHBondContact O-CG2 3.33Å; L22-T26 PolarHBondContact O-N 3.46Å; L22-T26 PolarHBondContact O-OG1 2.97Å; L22-T26 VanDerWaalsContact O-OG1 3.04Å; F23-T26 PolarHBondContact O-N 3.04Å; F23-T26 PolarHBondContact O-OG1 2.96Å; F23-T26 VanDerWaalsContact O-OG1 3.08Å; T26-L29 PolarHBondContact O-N 3.11Å; T26-F30 WeakPolarHBondContact O-CB 3.07Å; T26-F30 PolarHBondContact O-N 3.35Å; T26-A49 HydrophobicContact CG2-CB 3.9Å; T26-P50 VanDerWaalsContact OG1-CA 3.31Å; T26-P50 WeakPolarHBondContact OG1-CA 3.37Å |
| 27 | F | 96.3 | Very high | 92.1 | Very high | 56 Ų | 56 | 74.6 Ų | 74.6 | 25% | 0.246 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.6 | -51.9 | 173.1 | 174.4 | -91.8 | 0 | 0 | 0 | 111.5 | F23 L29 F30 Y31 P50 Y217 | F23-F27 VanDerWaalsContact O-CB 3.23Å; F23-F27 WeakPolarHBondContact O-CB 3.41Å; F23-F27 PolarHBondContact O-N 3Å; F27-L29 VanDerWaalsContact C-N 3.35Å; F27-L29 PolarHBondContact O-N 3.33Å; F27-F30 PolarHBondContact O-N 3.49Å; F27-Y31 HydrophobicContact CD1-CD2 4.44Å; F27-Y31 HydrophobicContact CD2-CD2 4.34Å; F27-Y31 HydrophobicContact CD2-CE2 4.05Å; F27-Y31 HydrophobicContact CE1-CD2 4.09Å; F27-Y31 HydrophobicContact CE1-CE2 4.21Å; F27-Y31 HydrophobicContact CE2-CD2 4.02Å; F27-Y31 AromaticContact CE2-CE2 3.44Å; F27-Y31 HydrophobicContact CE2-CE2 3.44Å; F27-Y31 VanDerWaalsContact CE2-CE2 3.44Å; F27-Y31 AromaticContact CZ-CD2 3.87Å; F27-Y31 HydrophobicContact CZ-CD2 3.87Å; F27-Y31 AromaticContact CZ-CE2 3.52Å; F27-Y31 HydrophobicContact CZ-CE2 3.52Å; F27-Y31 WeakPolarHBondContact O-CD2 3.15Å; F27-Y31 PolarHBondContact O-N 3.07Å; F27-P50 HydrophobicContact CB-CG 4.31Å; F27-Y217 AromaticContact CD2-CD2 3.53Å; F27-Y217 HydrophobicContact CD2-CD2 3.53Å; F27-Y217 HydrophobicContact CD2-CE2 4.23Å; F27-Y217 AromaticContact CD2-CG 3.91Å; F27-Y217 HydrophobicContact CD2-CG 3.91Å; F27-Y217 AromaticContact CE2-CD2 3.59Å; F27-Y217 HydrophobicContact CE2-CD2 3.59Å; F27-Y217 HydrophobicContact CE2-CE2 4.45Å; F27-Y217 HydrophobicContact CE2-CG 4.16Å |
| 28 | A | 96.6 | Very high | 92.8 | Very high | 50 Ų | 50 | 76.8 Ų | 76.8 | 41% | 0.413 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F24 F30 Y31 V32 | F24-A28 VanDerWaalsContact O-CB 3.26Å; F24-A28 WeakPolarHBondContact O-CB 3.37Å; F24-A28 PolarHBondContact O-N 3.11Å; A28-F30 VanDerWaalsContact C-N 3.32Å; A28-F30 PolarHBondContact O-N 3.34Å; A28-Y31 PolarHBondContact O-N 2.9Å; A28-V32 VanDerWaalsContact O-CG2 3.29Å; A28-V32 WeakPolarHBondContact O-CG2 3.39Å; A28-V32 PolarHBondContact O-N 3.47Å |
| 29 | L | 96.1 | Very high | 93.6 | Very high | 69 Ų | 69 | 75.1 Ų | 75.1 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 179.2 | -173.9 | 60.1 | 0 | 0 | 0 | 112.2 | K25 T26 F27 V32 L33 F46 | K25-L29 WeakPolarHBondContact O-CB 3.39Å; K25-L29 PolarHBondContact O-N 3.48Å; T26-L29 PolarHBondContact O-N 3.11Å; F27-L29 VanDerWaalsContact C-N 3.35Å; F27-L29 PolarHBondContact O-N 3.33Å; L29-V32 PolarHBondContact O-N 3.47Å; L29-L33 HydrophobicContact CD1-CD1 3.68Å; L29-L33 HydrophobicContact CD1-CG 3.89Å; L29-L33 HydrophobicContact CG-CD1 3.78Å; L29-L33 HydrophobicContact CG-CG 4.31Å; L29-L33 WeakPolarHBondContact O-CB 3.26Å; L29-L33 VanDerWaalsContact O-CG 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.41Å; L29-L33 PolarHBondContact O-N 3Å; L29-F46 HydrophobicContact CD2-CD1 4.22Å; L29-F46 HydrophobicContact CD2-CE1 3.59Å; L29-F46 HydrophobicContact CG-CD1 4.15Å; L29-F46 HydrophobicContact CG-CE1 3.81Å |
| 30 | F | 96.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 73.9 Ų | 73.9 | 0% | 0.004 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 175.6 | 171.5 | -123 | 0 | 0 | 0 | 112 | T26 F27 A28 V32 L33 Y34 Y43 F46 K47 L213 Y217 | T26-F30 WeakPolarHBondContact O-CB 3.07Å; T26-F30 PolarHBondContact O-N 3.35Å; F27-F30 PolarHBondContact O-N 3.49Å; A28-F30 VanDerWaalsContact C-N 3.32Å; A28-F30 PolarHBondContact O-N 3.34Å; F30-V32 VanDerWaalsContact C-N 3.34Å; F30-V32 PolarHBondContact O-N 3.29Å; F30-L33 PolarHBondContact O-N 3.09Å; F30-Y34 HydrophobicContact CD2-CD2 4.19Å; F30-Y34 PolarHBondContact O-N 2.86Å; F30-Y43 AromaticContact CE2-CD2 3.99Å; F30-Y43 HydrophobicContact CE2-CD2 3.99Å; F30-Y43 AromaticContact CE2-CE2 3.67Å; F30-Y43 HydrophobicContact CE2-CE2 3.67Å; F30-Y43 AromaticContact CE2-CZ 3.99Å; F30-Y43 AromaticContact CZ-CE2 3.83Å; F30-Y43 HydrophobicContact CZ-CE2 3.83Å; F30-Y43 AromaticContact CZ-CZ 3.79Å; F30-F46 HydrophobicContact CB-CB 4.38Å; F30-F46 HydrophobicContact CD2-CB 3.79Å; F30-K47 HydrophobicContact CD2-CB 4.49Å; F30-K47 HydrophobicContact CE2-CB 3.87Å; F30-K47 HydrophobicContact CZ-CB 3.98Å; F30-K47 HydrophobicContact CZ-CG 4.13Å; F30-L213 HydrophobicContact CE1-CD1 3.8Å; F30-L213 HydrophobicContact CE1-CD2 4.43Å; F30-L213 HydrophobicContact CZ-CD1 4.02Å; F30-Y217 HydrophobicContact CD1-CE2 4.12Å; F30-Y217 HydrophobicContact CE1-CE2 4.1Å |
| 31 | Y | 93.5 | Very high | 94.6 | Very high | 76 Ų | 76 | 77.9 Ų | 77.9 | 30% | 0.298 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.6 | -31.3 | 178.4 | -85.9 | -81.2 | 0 | 0 | 0 | 114.2 | F27 A28 L213 P214 | F27-Y31 HydrophobicContact CD1-CD2 4.44Å; F27-Y31 HydrophobicContact CD2-CD2 4.34Å; F27-Y31 HydrophobicContact CD2-CE2 4.05Å; F27-Y31 HydrophobicContact CE1-CD2 4.09Å; F27-Y31 HydrophobicContact CE1-CE2 4.21Å; F27-Y31 HydrophobicContact CE2-CD2 4.02Å; F27-Y31 AromaticContact CE2-CE2 3.44Å; F27-Y31 HydrophobicContact CE2-CE2 3.44Å; F27-Y31 VanDerWaalsContact CE2-CE2 3.44Å; F27-Y31 AromaticContact CZ-CD2 3.87Å; F27-Y31 HydrophobicContact CZ-CD2 3.87Å; F27-Y31 AromaticContact CZ-CE2 3.52Å; F27-Y31 HydrophobicContact CZ-CE2 3.52Å; F27-Y31 WeakPolarHBondContact O-CD2 3.15Å; F27-Y31 PolarHBondContact O-N 3.07Å; A28-Y31 PolarHBondContact O-N 2.9Å; Y31-L213 WeakPolarHBondContact OH-CB 3.32Å; Y31-P214 WeakPolarHBondContact OH-CD 3.15Å; Y31-P214 WeakPolarHBondContact OH-CG 3.45Å |
| 32 | V | 95.1 | Very high | 94.8 | Very high | 113 Ų | 113 | 75 Ų | 75 | 69% | 0.685 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -72 | -42.7 | 176.5 | 169.7 | 0 | 0 | 0 | 0 | 111.1 | A28 L29 F30 | A28-V32 VanDerWaalsContact O-CG2 3.29Å; A28-V32 WeakPolarHBondContact O-CG2 3.39Å; A28-V32 PolarHBondContact O-N 3.47Å; L29-V32 PolarHBondContact O-N 3.47Å; F30-V32 VanDerWaalsContact C-N 3.34Å; F30-V32 PolarHBondContact O-N 3.29Å |
| 33 | L | 95.8 | Very high | 94.9 | Very high | 82 Ų | 82 | 70.9 Ų | 70.9 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -81.9 | -35.4 | -176.4 | -66.3 | 178.4 | 0 | 0 | 0 | 113.2 | L29 F30 P35 F46 | L29-L33 HydrophobicContact CD1-CD1 3.68Å; L29-L33 HydrophobicContact CD1-CG 3.89Å; L29-L33 HydrophobicContact CG-CD1 3.78Å; L29-L33 HydrophobicContact CG-CG 4.31Å; L29-L33 WeakPolarHBondContact O-CB 3.26Å; L29-L33 VanDerWaalsContact O-CG 3.31Å; L29-L33 WeakPolarHBondContact O-CG 3.41Å; L29-L33 PolarHBondContact O-N 3Å; F30-L33 PolarHBondContact O-N 3.09Å; L33-P35 WeakPolarHBondContact O-CD 3.36Å; L33-F46 HydrophobicContact CD1-CD1 3.89Å; L33-F46 HydrophobicContact CD1-CD2 4.42Å; L33-F46 HydrophobicContact CD1-CE1 3.41Å; L33-F46 VanDerWaalsContact CD1-CE1 3.41Å; L33-F46 HydrophobicContact CD1-CE2 3.99Å; L33-F46 HydrophobicContact CD1-CG 4.37Å; L33-F46 HydrophobicContact CD1-CZ 3.45Å; L33-F46 VanDerWaalsContact CD1-CZ 3.45Å |
| 34 | Y | 94.2 | Very high | 95 | Very high | 39 Ų | 39 | 71.3 Ų | 71.3 | 15% | 0.153 | 37% | 0.373 | C | S | . | . | trans | -125.8 | 73.1 | -175.6 | -63 | -83.1 | 0 | 0 | 0 | 111.2 | F30 K36 E38 G42 Y43 F46 | F30-Y34 HydrophobicContact CD2-CD2 4.19Å; F30-Y34 PolarHBondContact O-N 2.86Å; Y34-K36 PolarHBondContact O-N 3.14Å; Y34-E38 HydrophobicContact CD1-CG 4.45Å; Y34-G42 VanDerWaalsContact OH-CA 3.28Å; Y34-G42 WeakPolarHBondContact OH-CA 3.48Å; Y34-Y43 AromaticContact CD1-CD2 3.7Å; Y34-Y43 HydrophobicContact CD1-CD2 3.7Å; Y34-Y43 HydrophobicContact CD1-CG 4.36Å; Y34-Y43 AromaticContact CG-CD2 3.74Å; Y34-Y43 HydrophobicContact CG-CD2 3.74Å; Y34-Y43 PolarHBondContact OH-N 3.3Å; Y34-F46 HydrophobicContact CD2-CB 4Å; Y34-F46 HydrophobicContact CD2-CD2 4.35Å; Y34-F46 HydrophobicContact CD2-CG 4.3Å; Y34-F46 HydrophobicContact CE2-CB 3.88Å; Y34-F46 AromaticContact CE2-CD2 3.43Å; Y34-F46 HydrophobicContact CE2-CD2 3.43Å; Y34-F46 VanDerWaalsContact CE2-CD2 3.43Å; Y34-F46 HydrophobicContact CE2-CE2 4.15Å; Y34-F46 AromaticContact CE2-CG 3.81Å; Y34-F46 HydrophobicContact CE2-CG 3.81Å | ||
| 35 | P | 90.6 | Very high | 95 | Very high | 104 Ų | 104 | 70.1 Ų | 70.1 | 68% | 0.675 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -68.8 | -13.9 | 177.3 | 29.6 | -36.4 | 0 | 0 | 0 | 113.1 | L33 | L33-P35 WeakPolarHBondContact O-CD 3.36Š|
| 36 | K | 89.7 | Confident | 95.1 | Very high | 169 Ų | 169 | 66.1 Ų | 66.1 | 74% | 0.735 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -130 | 153.7 | 177.1 | -64.5 | -177.6 | -178.6 | 178.5 | 0 | 109.5 | Y34 | Y34-K36 PolarHBondContact O-N 3.14Š|
| 37 | Y | 90.7 | Very high | 95.1 | Very high | 119 Ų | 119 | 65.8 Ų | 65.8 | 47% | 0.467 | 35% | 0.354 | S | S | . | . | trans | -64 | 136.7 | 175.8 | 166.5 | -95.5 | 0 | 0 | 0 | 111.4 | S39 Y43 V90 | Y37-S39 PolarHBondContact OH-OG 3.15Å; Y37-Y43 AromaticContact CD2-CE1 3.87Å; Y37-Y43 HydrophobicContact CD2-CE1 3.87Å; Y37-Y43 AromaticContact CD2-CZ 3.89Å; Y37-Y43 HydrophobicContact CE2-CE1 4.25Å; Y37-V90 PolarHBondContact OH-O 3.09Å | ||
| 38 | E | 92.5 | Very high | 95.2 | Very high | 79 Ų | 79 | 63.6 Ų | 63.6 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | trans | -138.2 | 140.7 | 174 | -65 | -179.8 | -160.5 | 0 | 0 | 110.4 | Y34 T40 Y43 | Y34-E38 HydrophobicContact CD1-CG 4.45Å; E38-T40 HydrophobicContact CB-CG2 4.14Å; E38-T40 PolarHBondContact O-N 3.48Å; E38-T40 VanDerWaalsContact O-N 3.12Å; E38-T40 PolarHBondContact OE2-OG1 3.25Å; E38-Y43 HydrophobicContact CB-CD2 4.22Å; E38-Y43 HydrophobicContact CB-CG 4.32Å; E38-Y43 VanDerWaalsContact O-CB 3.3Å; E38-Y43 WeakPolarHBondContact O-CB 3.44Å; E38-Y43 WeakPolarHBondContact O-CD1 3.4Å | ||
| 39 | S | 93.4 | Very high | 95.2 | Very high | 57 Ų | 57 | 62.2 Ų | 62.2 | 40% | 0.399 | 33% | 0.334 | S | S | . | . | trans | -86.9 | 44.8 | 175.2 | -48.1 | 0 | 0 | 0 | 0 | 112.1 | Y37 W91 | Y37-S39 PolarHBondContact OH-OG 3.15Å; S39-W91 PolarHBondContact O-NE1 3.2Å | ||
| 40 | T | 96.3 | Very high | 95.3 | Very high | 55 Ų | 55 | 58.9 Ų | 58.9 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -107.2 | 155.7 | -176 | 63.9 | 0 | 0 | 0 | 0 | 112.1 | E38 G42 Y43 C44 | E38-T40 HydrophobicContact CB-CG2 4.14Å; E38-T40 PolarHBondContact O-N 3.48Å; E38-T40 VanDerWaalsContact O-N 3.12Å; E38-T40 PolarHBondContact OE2-OG1 3.25Å; T40-G42 PolarHBondContact O-N 2.72Å; T40-Y43 PolarHBondContact O-N 2.92Å; T40-Y43 WeakPolarHBondContact OG1-CB 3.41Å; T40-Y43 PolarHBondContact OG1-N 3.41Å; T40-C44 PolarHBondContact O-N 2.86Å; T40-C44 VanDerWaalsContact O-N 3.1Å |
| 41 | V | 96.7 | Very high | 95.4 | Very high | 103 Ų | 103 | 58.9 Ų | 58.9 | 62% | 0.624 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.3 | -36.6 | 173.2 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | C44 V45 W91 | V41-C44 WeakPolarHBondContact O-CB 3.33Å; V41-C44 PolarHBondContact O-N 2.91Å; V41-V45 HydrophobicContact CG1-CG2 4.39Å; V41-V45 WeakPolarHBondContact O-CG2 3.43Å; V41-V45 PolarHBondContact O-N 3.42Å; V41-W91 HydrophobicContact CG2-CZ2 4.32Å |
| 42 | G | 97.2 | Very high | 95.6 | Very high | 25 Ų | 25 | 59.9 Ų | 59.9 | 26% | 0.258 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.9 | -52.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y34 T40 C44 V45 F46 | Y34-G42 VanDerWaalsContact OH-CA 3.28Å; Y34-G42 WeakPolarHBondContact OH-CA 3.48Å; T40-G42 PolarHBondContact O-N 2.72Å; G42-C44 VanDerWaalsContact C-N 3.27Å; G42-C44 PolarHBondContact O-N 2.83Å; G42-V45 PolarHBondContact O-N 2.99Å; G42-F46 VanDerWaalsContact O-CD2 3.31Å; G42-F46 WeakPolarHBondContact O-CD2 3.46Å; G42-F46 PolarHBondContact O-N 3.17Å |
| 43 | Y | 97.2 | Very high | 95.7 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55 | -43.9 | 175.8 | -175.9 | -89.8 | 0 | 0 | 0 | 111.7 | F30 Y34 Y37 E38 T40 F46 K47 V90 | F30-Y43 AromaticContact CE2-CD2 3.99Å; F30-Y43 HydrophobicContact CE2-CD2 3.99Å; F30-Y43 AromaticContact CE2-CE2 3.67Å; F30-Y43 HydrophobicContact CE2-CE2 3.67Å; F30-Y43 AromaticContact CE2-CZ 3.99Å; F30-Y43 AromaticContact CZ-CE2 3.83Å; F30-Y43 HydrophobicContact CZ-CE2 3.83Å; F30-Y43 AromaticContact CZ-CZ 3.79Å; Y34-Y43 AromaticContact CD1-CD2 3.7Å; Y34-Y43 HydrophobicContact CD1-CD2 3.7Å; Y34-Y43 HydrophobicContact CD1-CG 4.36Å; Y34-Y43 AromaticContact CG-CD2 3.74Å; Y34-Y43 HydrophobicContact CG-CD2 3.74Å; Y34-Y43 PolarHBondContact OH-N 3.3Å; Y37-Y43 AromaticContact CD2-CE1 3.87Å; Y37-Y43 HydrophobicContact CD2-CE1 3.87Å; Y37-Y43 AromaticContact CD2-CZ 3.89Å; Y37-Y43 HydrophobicContact CE2-CE1 4.25Å; E38-Y43 HydrophobicContact CB-CD2 4.22Å; E38-Y43 HydrophobicContact CB-CG 4.32Å; E38-Y43 VanDerWaalsContact O-CB 3.3Å; E38-Y43 WeakPolarHBondContact O-CB 3.44Å; E38-Y43 WeakPolarHBondContact O-CD1 3.4Å; T40-Y43 PolarHBondContact O-N 2.92Å; T40-Y43 WeakPolarHBondContact OG1-CB 3.41Å; T40-Y43 PolarHBondContact OG1-N 3.41Å; Y43-F46 PolarHBondContact O-N 3.01Å; Y43-K47 HydrophobicContact CD1-CD 4.43Å; Y43-K47 HydrophobicContact CE1-CB 4.42Å; Y43-K47 HydrophobicContact CE1-CD 3.8Å; Y43-K47 WeakPolarHBondContact O-CB 3.18Å; Y43-K47 PolarHBondContact O-N 3.08Å; Y43-V90 HydrophobicContact CD1-CG1 3.99Å; Y43-V90 HydrophobicContact CD1-CG2 3.92Å; Y43-V90 HydrophobicContact CE1-CG2 4.27Å |
| 44 | C | 97.5 | Very high | 95.7 | Very high | 15 Ų | 15 | 51.2 Ų | 51.2 | 10% | 0.101 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.8 | -49.7 | 176 | 179.6 | 0 | 0 | 0 | 0 | 113.1 | T40 V41 G42 F46 K47 C48 A87 V90 W91 | T40-C44 PolarHBondContact O-N 2.86Å; T40-C44 VanDerWaalsContact O-N 3.1Å; V41-C44 WeakPolarHBondContact O-CB 3.33Å; V41-C44 PolarHBondContact O-N 2.91Å; G42-C44 VanDerWaalsContact C-N 3.27Å; G42-C44 PolarHBondContact O-N 2.83Å; C44-F46 PolarHBondContact O-N 3.32Å; C44-K47 PolarHBondContact O-N 2.77Å; C44-C48 WeakPolarHBondContact O-CB 3.32Å; C44-C48 PolarHBondContact O-N 2.64Å; C44-C48 PolarHBondContact O-SG 3.15Å; C44-A87 VanDerWaalsContact SG-CA 3.59Å; C44-V90 HydrophobicContact CB-CB 4.21Å; C44-V90 HydrophobicContact CB-CG1 4.15Å; C44-V90 HydrophobicContact CB-CG2 3.72Å; C44-W91 HydrophobicContact CB-CH2 3.92Å; C44-W91 HydrophobicContact CB-CZ3 4.35Å |
| 45 | V | 97.5 | Very high | 95.9 | Very high | 84 Ų | 84 | 50.2 Ų | 50.2 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 179.5 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | V41 G42 C48 A49 | V41-V45 HydrophobicContact CG1-CG2 4.39Å; V41-V45 WeakPolarHBondContact O-CG2 3.43Å; V41-V45 PolarHBondContact O-N 3.42Å; G42-V45 PolarHBondContact O-N 2.99Å; V45-C48 PolarHBondContact O-N 2.98Å; V45-A49 PolarHBondContact O-N 3.13Å; V45-A49 VanDerWaalsContact O-N 3.07Å |
| 46 | F | 97.3 | Very high | 96 | Very high | 57 Ų | 57 | 47 Ų | 47 | 25% | 0.25 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.5 | -32.2 | -178.4 | -76.9 | -83.1 | 0 | 0 | 0 | 112.9 | L29 F30 L33 Y34 G42 Y43 C44 A49 P50 | L29-F46 HydrophobicContact CD2-CD1 4.22Å; L29-F46 HydrophobicContact CD2-CE1 3.59Å; L29-F46 HydrophobicContact CG-CD1 4.15Å; L29-F46 HydrophobicContact CG-CE1 3.81Å; F30-F46 HydrophobicContact CB-CB 4.38Å; F30-F46 HydrophobicContact CD2-CB 3.79Å; L33-F46 HydrophobicContact CD1-CD1 3.89Å; L33-F46 HydrophobicContact CD1-CD2 4.42Å; L33-F46 HydrophobicContact CD1-CE1 3.41Å; L33-F46 VanDerWaalsContact CD1-CE1 3.41Å; L33-F46 HydrophobicContact CD1-CE2 3.99Å; L33-F46 HydrophobicContact CD1-CG 4.37Å; L33-F46 HydrophobicContact CD1-CZ 3.45Å; L33-F46 VanDerWaalsContact CD1-CZ 3.45Å; Y34-F46 HydrophobicContact CD2-CB 4Å; Y34-F46 HydrophobicContact CD2-CD2 4.35Å; Y34-F46 HydrophobicContact CD2-CG 4.3Å; Y34-F46 HydrophobicContact CE2-CB 3.88Å; Y34-F46 AromaticContact CE2-CD2 3.43Å; Y34-F46 HydrophobicContact CE2-CD2 3.43Å; Y34-F46 VanDerWaalsContact CE2-CD2 3.43Å; Y34-F46 HydrophobicContact CE2-CE2 4.15Å; Y34-F46 AromaticContact CE2-CG 3.81Å; Y34-F46 HydrophobicContact CE2-CG 3.81Å; G42-F46 VanDerWaalsContact O-CD2 3.31Å; G42-F46 WeakPolarHBondContact O-CD2 3.46Å; G42-F46 PolarHBondContact O-N 3.17Å; Y43-F46 PolarHBondContact O-N 3.01Å; C44-F46 PolarHBondContact O-N 3.32Å; F46-A49 PolarHBondContact O-N 3.16Å; F46-P50 VanDerWaalsContact O-CD 3.29Å; F46-P50 WeakPolarHBondContact O-CD 3.23Å |
| 47 | K | 97.2 | Very high | 96.2 | Very high | 15 Ų | 15 | 39.3 Ų | 39.3 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -36.7 | 171.8 | -174 | -173.7 | 176.2 | -163.7 | 0 | 112.1 | F30 Y43 C44 P50 D86 V90 L213 Y217 | F30-K47 HydrophobicContact CD2-CB 4.49Å; F30-K47 HydrophobicContact CE2-CB 3.87Å; F30-K47 HydrophobicContact CZ-CB 3.98Å; F30-K47 HydrophobicContact CZ-CG 4.13Å; Y43-K47 HydrophobicContact CD1-CD 4.43Å; Y43-K47 HydrophobicContact CE1-CB 4.42Å; Y43-K47 HydrophobicContact CE1-CD 3.8Å; Y43-K47 WeakPolarHBondContact O-CB 3.18Å; Y43-K47 PolarHBondContact O-N 3.08Å; C44-K47 PolarHBondContact O-N 2.77Å; K47-P50 WeakPolarHBondContact O-CD 3.44Å; K47-D86 HydrophobicContact CD-CB 4.42Å; K47-D86 WeakPolarHBondContact CE-OD1 3.39Å; K47-D86 HydrophobicContact CG-CB 4.44Å; K47-D86 PolarHBondContact NZ-O 3.46Å; K47-D86 IonicContact NZ-OD1 3.89Å; K47-V90 HydrophobicContact CD-CG2 4.02Å; K47-L213 HydrophobicContact CG-CD2 4.49Å; K47-Y217 WeakPolarHBondContact CG-OH 3.45Å; K47-Y217 PolarHBondContact O-OH 3.05Å |
| 48 | C | 97.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -78.1 | -24.2 | 178.4 | -66.8 | 0 | 0 | 0 | 0 | 113.2 | C44 V45 I51 L52 | C44-C48 WeakPolarHBondContact O-CB 3.32Å; C44-C48 PolarHBondContact O-N 2.64Å; C44-C48 PolarHBondContact O-SG 3.15Å; V45-C48 PolarHBondContact O-N 2.98Å; C48-I51 PolarHBondContact O-N 3.31Å; C48-I51 VanDerWaalsContact O-N 3.09Å; C48-L52 HydrophobicContact CB-CD1 4.33Å; C48-L52 WeakPolarHBondContact O-CG 3.46Å; C48-L52 PolarHBondContact O-N 3.37Å |
| 49 | A | 97.5 | Very high | 96.4 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 17% | 0.174 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.9 | -39.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | T26 V45 F46 L52 S53 | T26-A49 HydrophobicContact CG2-CB 3.9Å; V45-A49 PolarHBondContact O-N 3.13Å; V45-A49 VanDerWaalsContact O-N 3.07Å; F46-A49 PolarHBondContact O-N 3.16Å; A49-L52 PolarHBondContact O-N 2.98Å; A49-S53 PolarHBondContact O-N 2.8Å; A49-S53 VanDerWaalsContact O-N 3.1Å |
| 50 | P | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -44.8 | 172.4 | -23.4 | 34.2 | 0 | 0 | 0 | 112.3 | F23 T26 F27 F46 K47 S53 L54 Y217 | F23-P50 HydrophobicContact CD2-CB 3.88Å; F23-P50 WeakPolarHBondContact CD2-O 3.34Å; F23-P50 HydrophobicContact CE2-CB 3.77Å; T26-P50 VanDerWaalsContact OG1-CA 3.31Å; T26-P50 WeakPolarHBondContact OG1-CA 3.37Å; F27-P50 HydrophobicContact CB-CG 4.31Å; F46-P50 VanDerWaalsContact O-CD 3.29Å; F46-P50 WeakPolarHBondContact O-CD 3.23Å; K47-P50 WeakPolarHBondContact O-CD 3.44Å; P50-S53 PolarHBondContact O-N 3.01Å; P50-S53 PolarHBondContact O-OG 3.38Å; P50-L54 PolarHBondContact O-N 2.97Å; P50-L54 VanDerWaalsContact O-N 3.17Å; P50-Y217 HydrophobicContact CB-CD1 3.72Å; P50-Y217 HydrophobicContact CB-CE1 3.6Å; P50-Y217 HydrophobicContact CB-CG 4.46Å; P50-Y217 HydrophobicContact CG-CD1 4.25Å; P50-Y217 HydrophobicContact CG-CE1 3.76Å; P50-Y217 HydrophobicContact CG-CE2 4.46Å |
| 51 | I | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67 | -40.6 | 178.6 | -56.8 | -51.6 | 0 | 0 | 0 | 111.6 | C48 S53 L54 I55 L79 S82 C83 D86 Y216 Y217 Q220 | C48-I51 PolarHBondContact O-N 3.31Å; C48-I51 VanDerWaalsContact O-N 3.09Å; I51-S53 PolarHBondContact O-N 3.46Å; I51-L54 HydrophobicContact CD1-CD1 4.24Å; I51-L54 CarbonylContact O-C 3.57Å; I51-L54 WeakPolarHBondContact O-CA 3.3Å; I51-L54 WeakPolarHBondContact O-CB 2.94Å; I51-L54 PolarHBondContact O-N 2.84Å; I51-I55 HydrophobicContact CG2-CD1 4.05Å; I51-I55 HydrophobicContact CG2-CG1 4.36Å; I51-I55 WeakPolarHBondContact O-CG1 3.01Å; I51-I55 PolarHBondContact O-N 3.29Å; I51-L79 HydrophobicContact CG2-CB 4.48Å; I51-L79 HydrophobicContact CG2-CD2 4.24Å; I51-L79 WeakPolarHBondContact CG2-O 3.4Å; I51-S82 WeakPolarHBondContact CG2-OG 3.49Å; I51-C83 HydrophobicContact CB-CB 4.36Å; I51-C83 HydrophobicContact CG2-CB 3.78Å; I51-D86 VanDerWaalsContact CG1-OD2 3.29Å; I51-D86 WeakPolarHBondContact CG1-OD2 3.12Å; I51-Y216 HydrophobicContact CD1-CE1 3.89Å; I51-Y216 HydrophobicContact CG1-CE1 4.11Å; I51-Y217 HydrophobicContact CD1-CD1 3.86Å; I51-Y217 HydrophobicContact CD1-CE1 4.02Å; I51-Y217 HydrophobicContact CG1-CD1 4.43Å; I51-Y217 HydrophobicContact CG1-CE1 4.08Å; I51-Q220 HydrophobicContact CD1-CB 3.82Å; I51-Q220 HydrophobicContact CD1-CG 3.74Å |
| 52 | L | 97.4 | Very high | 95 | Very high | 98 Ų | 98 | 30.4 Ų | 30.4 | 51% | 0.513 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57 | -38.7 | 174.3 | -72.5 | 170.5 | 0 | 0 | 0 | 112.3 | C48 A49 I55 G56 | C48-L52 HydrophobicContact CB-CD1 4.33Å; C48-L52 WeakPolarHBondContact O-CG 3.46Å; C48-L52 PolarHBondContact O-N 3.37Å; A49-L52 PolarHBondContact O-N 2.98Å; L52-I55 HydrophobicContact CD2-CD1 4.13Å; L52-I55 WeakPolarHBondContact O-CB 3.39Å; L52-I55 PolarHBondContact O-N 3.06Å; L52-G56 PolarHBondContact O-N 2.91Å; L52-G56 VanDerWaalsContact O-N 3.11Å |
| 53 | S | 96.6 | Very high | 94.4 | Very high | 13 Ų | 13 | 30 Ų | 30 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 174.2 | 76.2 | 0 | 0 | 0 | 0 | 113 | F23 A49 P50 I51 G56 F57 | F23-S53 WeakPolarHBondContact CA-OG 3.18Å; F23-S53 VanDerWaalsContact CB-OG 3.25Å; F23-S53 WeakPolarHBondContact CB-OG 3.49Å; F23-S53 PolarHBondContact N-OG 3.4Å; A49-S53 PolarHBondContact O-N 2.8Å; A49-S53 VanDerWaalsContact O-N 3.1Å; P50-S53 PolarHBondContact O-N 3.01Å; P50-S53 PolarHBondContact O-OG 3.38Å; I51-S53 PolarHBondContact O-N 3.46Å; S53-G56 PolarHBondContact O-N 3.4Å; S53-F57 WeakPolarHBondContact O-CB 3.25Å; S53-F57 PolarHBondContact O-N 2.94Å |
| 54 | L | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70 | -36.3 | 175.5 | -65.9 | 179.5 | 0 | 0 | 0 | 112 | L20 F23 P50 I51 G56 F57 V58 L79 Q220 L221 | L20-L54 HydrophobicContact CD2-CD2 4.38Å; F23-L54 HydrophobicContact CB-CD2 4.29Å; F23-L54 HydrophobicContact CD2-CD1 3.9Å; F23-L54 HydrophobicContact CD2-CD2 3.69Å; F23-L54 HydrophobicContact CD2-CG 3.59Å; F23-L54 HydrophobicContact CE2-CD1 3.69Å; F23-L54 HydrophobicContact CE2-CD2 4.2Å; F23-L54 HydrophobicContact CE2-CG 3.95Å; F23-L54 HydrophobicContact CG-CD2 4.03Å; F23-L54 HydrophobicContact CG-CG 4.4Å; P50-L54 PolarHBondContact O-N 2.97Å; P50-L54 VanDerWaalsContact O-N 3.17Å; I51-L54 HydrophobicContact CD1-CD1 4.24Å; I51-L54 CarbonylContact O-C 3.57Å; I51-L54 WeakPolarHBondContact O-CA 3.3Å; I51-L54 WeakPolarHBondContact O-CB 2.94Å; I51-L54 PolarHBondContact O-N 2.84Å; L54-G56 VanDerWaalsContact C-N 3.34Å; L54-G56 PolarHBondContact O-N 3.04Å; L54-F57 WeakPolarHBondContact O-CB 3.23Å; L54-F57 PolarHBondContact O-N 3.29Å; L54-V58 WeakPolarHBondContact O-CG2 3.47Å; L54-V58 PolarHBondContact O-N 3.49Å; L54-L79 HydrophobicContact CB-CD1 4.25Å; L54-L79 HydrophobicContact CB-CD2 4.23Å; L54-L79 HydrophobicContact CD1-CD2 4.48Å; L54-Q220 HydrophobicContact CD1-CB 3.76Å; L54-L221 HydrophobicContact CD2-CD1 3.82Å |
| 55 | I | 96.8 | Very high | 92.7 | Very high | 18 Ų | 18 | 34.8 Ų | 34.8 | 9% | 0.092 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.2 | -49.9 | 172.2 | -70.7 | 163.1 | 0 | 0 | 0 | 109.6 | I51 L52 F57 V58 Y59 F76 L79 L80 C83 | I51-I55 HydrophobicContact CG2-CD1 4.05Å; I51-I55 HydrophobicContact CG2-CG1 4.36Å; I51-I55 WeakPolarHBondContact O-CG1 3.01Å; I51-I55 PolarHBondContact O-N 3.29Å; L52-I55 HydrophobicContact CD2-CD1 4.13Å; L52-I55 WeakPolarHBondContact O-CB 3.39Å; L52-I55 PolarHBondContact O-N 3.06Å; I55-F57 VanDerWaalsContact C-N 3.33Å; I55-F57 PolarHBondContact O-N 3.08Å; I55-V58 PolarHBondContact O-N 3.2Å; I55-Y59 VanDerWaalsContact O-CB 3.32Å; I55-Y59 WeakPolarHBondContact O-CB 3.36Å; I55-Y59 PolarHBondContact O-N 3.33Å; I55-F76 HydrophobicContact CG2-CD2 4.14Å; I55-F76 HydrophobicContact CG2-CE2 3.44Å; I55-F76 VanDerWaalsContact CG2-CE2 3.44Å; I55-F76 HydrophobicContact CG2-CZ 4.07Å; I55-L79 HydrophobicContact CD1-CB 4.43Å; I55-L79 HydrophobicContact CG1-CB 3.6Å; I55-L80 HydrophobicContact CD1-CD2 3.93Å; I55-L80 HydrophobicContact CG1-CD2 4.46Å; I55-L80 HydrophobicContact CG2-CD2 4.08Å; I55-C83 HydrophobicContact CD1-CB 4.03Å |
| 56 | G | 93.9 | Very high | 91.4 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 36% | 0.361 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | L52 S53 L54 Y59 M60 | L52-G56 PolarHBondContact O-N 2.91Å; L52-G56 VanDerWaalsContact O-N 3.11Å; S53-G56 PolarHBondContact O-N 3.4Å; L54-G56 VanDerWaalsContact C-N 3.34Å; L54-G56 PolarHBondContact O-N 3.04Å; G56-Y59 PolarHBondContact O-N 3.02Å; G56-M60 WeakPolarHBondContact O-CG 3.29Å; G56-M60 PolarHBondContact O-N 3.29Å; G56-M60 VanDerWaalsContact O-N 3.12Å |
| 57 | F | 93.7 | Very high | 90.1 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 4% | 0.039 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -52.3 | 175.5 | 173.2 | -88.9 | 0 | 0 | 0 | 112.2 | L16 R19 L20 S53 L54 I55 Y59 M60 Y61 V225 V227 V228 | L16-F57 HydrophobicContact CD2-CE2 3.74Å; L16-F57 HydrophobicContact CD2-CZ 3.64Å; R19-F57 HydrophobicContact CB-CD2 4.07Å; R19-F57 HydrophobicContact CB-CE2 4.28Å; L20-F57 HydrophobicContact CD2-CD2 3.83Å; L20-F57 HydrophobicContact CD2-CE2 3.91Å; L20-F57 HydrophobicContact CD2-CG 4.23Å; L20-F57 HydrophobicContact CD2-CZ 4.37Å; L20-F57 HydrophobicContact CG-CD2 4.48Å; L20-F57 HydrophobicContact CG-CE2 4.26Å; S53-F57 WeakPolarHBondContact O-CB 3.25Å; S53-F57 PolarHBondContact O-N 2.94Å; L54-F57 WeakPolarHBondContact O-CB 3.23Å; L54-F57 PolarHBondContact O-N 3.29Å; I55-F57 VanDerWaalsContact C-N 3.33Å; I55-F57 PolarHBondContact O-N 3.08Å; F57-Y59 VanDerWaalsContact C-N 3.31Å; F57-Y59 PolarHBondContact O-N 3.45Å; F57-M60 PolarHBondContact O-N 3.28Å; F57-Y61 AromaticContact CD2-CD2 3.73Å; F57-Y61 HydrophobicContact CD2-CD2 3.73Å; F57-Y61 HydrophobicContact CD2-CE2 4.19Å; F57-Y61 AromaticContact CE2-CD2 3.85Å; F57-Y61 HydrophobicContact CE2-CD2 3.85Å; F57-Y61 HydrophobicContact CG-CD2 4.23Å; F57-Y61 HydrophobicContact CZ-CD2 4.44Å; F57-Y61 WeakPolarHBondContact O-CD2 3.45Å; F57-Y61 PolarHBondContact O-N 2.88Å; F57-V225 HydrophobicContact CE1-CG1 4.34Å; F57-V225 HydrophobicContact CZ-CG1 4.21Å; F57-V227 HydrophobicContact CE1-CG2 4.4Å; F57-V228 HydrophobicContact CE1-CG2 3.99Å; F57-V228 HydrophobicContact CZ-CG2 3.54Å |
| 58 | V | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.7 | -36.2 | -179.1 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | L54 I55 M60 G62 V63 I75 F76 L79 V227 | L54-V58 WeakPolarHBondContact O-CG2 3.47Å; L54-V58 PolarHBondContact O-N 3.49Å; I55-V58 PolarHBondContact O-N 3.2Å; V58-M60 PolarHBondContact O-N 2.87Å; V58-G62 VanDerWaalsContact O-CA 3.24Å; V58-G62 WeakPolarHBondContact O-CA 3.27Å; V58-G62 PolarHBondContact O-N 2.83Å; V58-V63 HydrophobicContact CG1-CG2 4.41Å; V58-V63 PolarHBondContact O-N 2.77Å; V58-I75 HydrophobicContact CG1-CG2 4.37Å; V58-I75 HydrophobicContact CG2-CG2 4.27Å; V58-F76 HydrophobicContact CG1-CB 3.87Å; V58-F76 HydrophobicContact CG1-CD2 4.46Å; V58-L79 HydrophobicContact CB-CD1 4.08Å; V58-L79 HydrophobicContact CG2-CD1 3.54Å; V58-V227 HydrophobicContact CG1-CG1 4.05Å; V58-V227 HydrophobicContact CG1-CG2 4.33Å; V58-V227 HydrophobicContact CG2-CG1 4.27Å; V58-V227 HydrophobicContact CG2-CG2 4.2Å |
| 59 | Y | 92.3 | Very high | 88.4 | Confident | 104 Ų | 104 | 44.4 Ų | 44.4 | 41% | 0.408 | 24% | 0.236 | S | C | . | . | I | π-helix | trans | -58.8 | -47.9 | 174.7 | 179.9 | -110.8 | 0 | 0 | 0 | 111.9 | I55 G56 F57 V63 K64 F76 | I55-Y59 VanDerWaalsContact O-CB 3.32Å; I55-Y59 WeakPolarHBondContact O-CB 3.36Å; I55-Y59 PolarHBondContact O-N 3.33Å; G56-Y59 PolarHBondContact O-N 3.02Å; F57-Y59 VanDerWaalsContact C-N 3.31Å; F57-Y59 PolarHBondContact O-N 3.45Å; Y59-V63 HydrophobicContact CD2-CB 4.24Å; Y59-V63 HydrophobicContact CD2-CG1 4.34Å; Y59-V63 PolarHBondContact O-N 2.76Å; Y59-K64 HydrophobicContact CE1-CD 4.17Å; Y59-K64 HydrophobicContact CE1-CG 4.47Å; Y59-K64 PolarHBondContact O-N 2.86Å; Y59-K64 VanDerWaalsContact O-N 3.09Å; Y59-K64 WeakPolarHBondContact OH-CE 3.37Å; Y59-F76 HydrophobicContact CD2-CE2 4.24Å; Y59-F76 HydrophobicContact CD2-CZ 4.48Å; Y59-F76 HydrophobicContact CG-CE2 4.43Å |
| 60 | M | 87.5 | Confident | 88.1 | Confident | 82 Ų | 82 | 46.2 Ų | 46.2 | 40% | 0.404 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -74 | -36.1 | -176.7 | -68.4 | -61.2 | -67.4 | 0 | 0 | 113.6 | G56 F57 V58 K64 | G56-M60 WeakPolarHBondContact O-CG 3.29Å; G56-M60 PolarHBondContact O-N 3.29Å; G56-M60 VanDerWaalsContact O-N 3.12Å; F57-M60 PolarHBondContact O-N 3.28Å; V58-M60 PolarHBondContact O-N 2.87Å; M60-K64 HydrophobicContact SD-CD 3.93Å; M60-K64 PolarHBondContact SD-NZ 3.41Å; M60-K64 VanDerWaalsContact SD-NZ 3.42Å |
| 61 | Y | 84.8 | Confident | 87.9 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 15% | 0.153 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -112.3 | -2.3 | -171 | -56.7 | -60.4 | 0 | 0 | 0 | 115.2 | R19 F57 I65 S230 H231 | R19-Y61 HydrophobicContact CB-CE2 4.19Å; R19-Y61 WeakPolarHBondContact CD-OH 3.31Å; R19-Y61 HydrophobicContact CG-CE2 3.96Å; R19-Y61 VanDerWaalsContact CZ-OH 3.23Å; R19-Y61 PolarHBondContact NE-OH 3.38Å; R19-Y61 VanDerWaalsContact NH1-CZ 3.26Å; F57-Y61 AromaticContact CD2-CD2 3.73Å; F57-Y61 HydrophobicContact CD2-CD2 3.73Å; F57-Y61 HydrophobicContact CD2-CE2 4.19Å; F57-Y61 AromaticContact CE2-CD2 3.85Å; F57-Y61 HydrophobicContact CE2-CD2 3.85Å; F57-Y61 HydrophobicContact CG-CD2 4.23Å; F57-Y61 HydrophobicContact CZ-CD2 4.44Å; F57-Y61 WeakPolarHBondContact O-CD2 3.45Å; F57-Y61 PolarHBondContact O-N 2.88Å; Y61-I65 VanDerWaalsContact O-CD1 3.23Å; Y61-I65 WeakPolarHBondContact O-CD1 3.39Å; Y61-S230 PolarHBondContact O-OG 3.1Å; Y61-H231 AromaticContact CD1-CD2 3.88Å |
| 62 | G | 85.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -122.5 | -62.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V58 I65 S72 | V58-G62 VanDerWaalsContact O-CA 3.24Å; V58-G62 WeakPolarHBondContact O-CA 3.27Å; V58-G62 PolarHBondContact O-N 2.83Å; G62-I65 PolarHBondContact O-N 2.92Å; G62-S72 WeakPolarHBondContact CA-OG 3.48Å; G62-S72 PolarHBondContact O-OG 2.57Å |
| 63 | V | 84.2 | Confident | 87.5 | Confident | 18 Ų | 18 | 45.7 Ų | 45.7 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -69.7 | -42.9 | -168.6 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | V58 Y59 I65 H69 F76 | V58-V63 HydrophobicContact CG1-CG2 4.41Å; V58-V63 PolarHBondContact O-N 2.77Å; Y59-V63 HydrophobicContact CD2-CB 4.24Å; Y59-V63 HydrophobicContact CD2-CG1 4.34Å; Y59-V63 PolarHBondContact O-N 2.76Å; V63-I65 PolarHBondContact O-N 3.39Å; V63-I65 VanDerWaalsContact O-N 3.13Å; V63-H69 PolarHBondContact O-CE1 3.41Å; V63-H69 PolarHBondContact O-ND1 2.91Å; V63-F76 HydrophobicContact CG2-CB 3.81Å; V63-F76 HydrophobicContact CG2-CD2 4.25Å; V63-F76 HydrophobicContact CG2-CG 4.01Å |
| 64 | K | 84.1 | Confident | 87.5 | Confident | 116 Ų | 116 | 48.7 Ų | 48.7 | 50% | 0.504 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -7.4 | 178.9 | -80.3 | -174.5 | 170 | 173.8 | 0 | 114.6 | Y59 M60 | Y59-K64 HydrophobicContact CE1-CD 4.17Å; Y59-K64 HydrophobicContact CE1-CG 4.47Å; Y59-K64 PolarHBondContact O-N 2.86Å; Y59-K64 VanDerWaalsContact O-N 3.09Å; Y59-K64 WeakPolarHBondContact OH-CE 3.37Å; M60-K64 HydrophobicContact SD-CD 3.93Å; M60-K64 PolarHBondContact SD-NZ 3.41Å; M60-K64 VanDerWaalsContact SD-NZ 3.42Å |
| 65 | I | 76.2 | Confident | 87.5 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -102.9 | 127.5 | -174 | -53.1 | -176.2 | 0 | 0 | 0 | 108.6 | Y61 G62 V63 N67 H231 S234 | Y61-I65 VanDerWaalsContact O-CD1 3.23Å; Y61-I65 WeakPolarHBondContact O-CD1 3.39Å; G62-I65 PolarHBondContact O-N 2.92Å; V63-I65 PolarHBondContact O-N 3.39Å; V63-I65 VanDerWaalsContact O-N 3.13Å; I65-N67 PolarHBondContact O-N 3.19Å; I65-H231 HydrophobicContact CD1-CB 3.25Å; I65-H231 WeakPolarHBondContact CD1-CD2 3.3Å; I65-S234 WeakPolarHBondContact CG2-OG 3.46Å |
| 66 | P | 70 | Confident | 87.6 | Confident | 121 Ų | 121 | 49.5 Ų | 49.5 | 79% | 0.786 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -59.8 | -32.4 | -175.9 | -24.7 | 32.9 | 0 | 0 | 0 | 113.2 | N68 | P66-N68 PolarHBondContact O-N 2.88Š|
| 67 | N | 69.5 | Low | 87.8 | Confident | 80 Ų | 80 | 51 Ų | 51 | 43% | 0.428 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 129.5 | -177.6 | -159.5 | 13.7 | 0 | 0 | 0 | 111.2 | I65 H69 S230 T233 | I65-N67 PolarHBondContact O-N 3.19Å; N67-H69 PolarHBondContact O-N 3.18Å; N67-S230 WeakPolarHBondContact O-CB 3.14Å; N67-T233 WeakPolarHBondContact ND2-CB 3.22Å; N67-T233 PolarHBondContact ND2-OG1 3.44Å |
| 68 | N | 74.9 | Confident | 88 | Confident | 85 Ų | 85 | 50.6 Ų | 50.6 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 31.4 | -179.7 | -152.2 | 14 | 0 | 0 | 0 | 115.3 | P66 A70 Y71 S72 | P66-N68 PolarHBondContact O-N 2.88Å; N68-A70 PolarHBondContact O-N 3.28Å; N68-A70 VanDerWaalsContact O-N 3.17Å; N68-Y71 VanDerWaalsContact CG-CB 3.42Å; N68-Y71 WeakPolarHBondContact ND2-CB 3.3Å; N68-Y71 PolarHBondContact O-N 2.85Å; N68-Y71 WeakPolarHBondContact OD1-CB 3.24Å; N68-S72 PolarHBondContact O-N 3.49Å; N68-S72 PolarHBondContact O-OG 3.04Å |
| 69 | H | 84.5 | Confident | 88.2 | Confident | 82 Ų | 82 | 50.6 Ų | 50.6 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -51.1 | -40.5 | 179.3 | -179.2 | 78.1 | 0 | 0 | 0 | 112.8 | V63 N67 Y71 S72 L73 | V63-H69 PolarHBondContact O-CE1 3.41Å; V63-H69 PolarHBondContact O-ND1 2.91Å; N67-H69 PolarHBondContact O-N 3.18Å; H69-Y71 PolarHBondContact O-N 2.87Å; H69-S72 PolarHBondContact O-N 3Å; H69-L73 VanDerWaalsContact O-CB 3.26Å; H69-L73 WeakPolarHBondContact O-CB 3.16Å; H69-L73 PolarHBondContact O-N 2.72Å |
| 70 | A | 91.5 | Very high | 88.5 | Confident | 58 Ų | 58 | 48.8 Ų | 48.8 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.5 | N68 K74 | N68-A70 PolarHBondContact O-N 3.28Å; N68-A70 VanDerWaalsContact O-N 3.17Å; A70-K74 VanDerWaalsContact O-CD 3.29Å; A70-K74 WeakPolarHBondContact O-CD 3.42Å; A70-K74 WeakPolarHBondContact O-CG 3.37Å; A70-K74 PolarHBondContact O-N 3.49Å |
| 71 | Y | 93.2 | Very high | 89 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 9% | 0.09 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.3 | -52.8 | 174.6 | 178 | -94.1 | 0 | 0 | 0 | 110.4 | N68 H69 L73 K74 I75 A112 F113 S226 V227 | N68-Y71 VanDerWaalsContact CG-CB 3.42Å; N68-Y71 WeakPolarHBondContact ND2-CB 3.3Å; N68-Y71 PolarHBondContact O-N 2.85Å; N68-Y71 WeakPolarHBondContact OD1-CB 3.24Å; H69-Y71 PolarHBondContact O-N 2.87Å; Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 3.37Å; Y71-K74 PolarHBondContact O-N 2.88Å; Y71-K74 VanDerWaalsContact O-N 3.13Å; Y71-I75 HydrophobicContact CD1-CG1 4.12Å; Y71-I75 HydrophobicContact CE1-CD1 4.44Å; Y71-I75 HydrophobicContact CE1-CG1 3.74Å; Y71-I75 WeakPolarHBondContact O-CG1 3.03Å; Y71-I75 PolarHBondContact O-N 3.44Å; Y71-A112 HydrophobicContact CD2-CB 3.92Å; Y71-A112 VanDerWaalsContact CD2-O 3.24Å; Y71-A112 WeakPolarHBondContact CD2-O 3.26Å; Y71-A112 HydrophobicContact CE2-CB 3.93Å; Y71-F113 HydrophobicContact CE2-CD1 4.12Å; Y71-F113 HydrophobicContact CE2-CE1 4.49Å; Y71-S226 PolarHBondContact OH-OG 2.88Å; Y71-V227 HydrophobicContact CD1-CG1 4.29Å; Y71-V227 HydrophobicContact CE1-CG1 4.02Å |
| 72 | S | 93.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.7 | -40.2 | -178.4 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | G62 N68 H69 I75 F76 | G62-S72 WeakPolarHBondContact CA-OG 3.48Å; G62-S72 PolarHBondContact O-OG 2.57Å; N68-S72 PolarHBondContact O-N 3.49Å; N68-S72 PolarHBondContact O-OG 3.04Å; H69-S72 PolarHBondContact O-N 3Å; S72-I75 PolarHBondContact O-N 3.45Å; S72-F76 VanDerWaalsContact O-CB 3.26Å; S72-F76 WeakPolarHBondContact O-CB 3.44Å; S72-F76 PolarHBondContact O-N 2.79Å |
| 73 | L | 94.9 | Very high | 90.3 | Very high | 64 Ų | 64 | 46.7 Ų | 46.7 | 34% | 0.335 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.5 | -40.9 | 177.7 | -177.3 | 62.8 | 0 | 0 | 0 | 111.8 | H69 Y71 F76 L77 | H69-L73 VanDerWaalsContact O-CB 3.26Å; H69-L73 WeakPolarHBondContact O-CB 3.16Å; H69-L73 PolarHBondContact O-N 2.72Å; Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 3.37Å; L73-F76 HydrophobicContact CD1-CD1 4.44Å; L73-F76 WeakPolarHBondContact O-CB 3.41Å; L73-F76 PolarHBondContact O-N 3.22Å; L73-L77 HydrophobicContact CG-CD1 4.34Å; L73-L77 WeakPolarHBondContact O-CB 3.2Å; L73-L77 VanDerWaalsContact O-CG 3.28Å; L73-L77 WeakPolarHBondContact O-CG 3.3Å; L73-L77 PolarHBondContact O-N 3.46Å |
| 74 | K | 96.9 | Very high | 91 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 177.1 | -68 | 166.5 | -177.2 | 172.1 | 0 | 112 | A70 Y71 L77 G78 S108 C111 A112 | A70-K74 VanDerWaalsContact O-CD 3.29Å; A70-K74 WeakPolarHBondContact O-CD 3.42Å; A70-K74 WeakPolarHBondContact O-CG 3.37Å; A70-K74 PolarHBondContact O-N 3.49Å; Y71-K74 PolarHBondContact O-N 2.88Å; Y71-K74 VanDerWaalsContact O-N 3.13Å; K74-L77 PolarHBondContact O-N 3.21Å; K74-G78 PolarHBondContact O-N 3.02Å; K74-S108 WeakPolarHBondContact O-CB 3.27Å; K74-C111 HydrophobicContact CD-CB 3.96Å; K74-C111 WeakPolarHBondContact CD-O 3.5Å; K74-C111 PolarHBondContact NZ-O 3.27Å; K74-A112 HydrophobicContact CB-CB 3.73Å; K74-A112 HydrophobicContact CD-CB 4.26Å |
| 75 | I | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 172.3 | -62 | -53.2 | 0 | 0 | 0 | 110.7 | V58 Y71 S72 G78 L79 Y109 A112 F113 I223 V227 | V58-I75 HydrophobicContact CG1-CG2 4.37Å; V58-I75 HydrophobicContact CG2-CG2 4.27Å; Y71-I75 HydrophobicContact CD1-CG1 4.12Å; Y71-I75 HydrophobicContact CE1-CD1 4.44Å; Y71-I75 HydrophobicContact CE1-CG1 3.74Å; Y71-I75 WeakPolarHBondContact O-CG1 3.03Å; Y71-I75 PolarHBondContact O-N 3.44Å; S72-I75 PolarHBondContact O-N 3.45Å; I75-G78 PolarHBondContact O-N 3.25Å; I75-L79 HydrophobicContact CG2-CD1 4.29Å; I75-L79 WeakPolarHBondContact O-CG 3.39Å; I75-L79 PolarHBondContact O-N 3.17Å; I75-Y109 HydrophobicContact CD1-CD1 3.63Å; I75-Y109 HydrophobicContact CD1-CE1 4.03Å; I75-Y109 HydrophobicContact CD1-CG 4.45Å; I75-Y109 HydrophobicContact CG2-CE1 4.31Å; I75-A112 HydrophobicContact CD1-CB 3.52Å; I75-A112 HydrophobicContact CG1-CB 4.08Å; I75-F113 HydrophobicContact CD1-CE1 4.32Å; I75-I223 HydrophobicContact CD1-CG2 3.76Å; I75-I223 HydrophobicContact CG2-CG2 3.98Å; I75-V227 HydrophobicContact CB-CG1 3.97Å; I75-V227 HydrophobicContact CG1-CG1 4.06Å; I75-V227 HydrophobicContact CG2-CG1 3.89Å |
| 76 | F | 97.2 | Very high | 92.7 | Very high | 35 Ų | 35 | 43.7 Ų | 43.7 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 176.7 | 177.4 | -96.7 | 0 | 0 | 0 | 112.4 | I55 V58 Y59 V63 S72 L73 G78 L79 L80 | I55-F76 HydrophobicContact CG2-CD2 4.14Å; I55-F76 HydrophobicContact CG2-CE2 3.44Å; I55-F76 VanDerWaalsContact CG2-CE2 3.44Å; I55-F76 HydrophobicContact CG2-CZ 4.07Å; V58-F76 HydrophobicContact CG1-CB 3.87Å; V58-F76 HydrophobicContact CG1-CD2 4.46Å; Y59-F76 HydrophobicContact CD2-CE2 4.24Å; Y59-F76 HydrophobicContact CD2-CZ 4.48Å; Y59-F76 HydrophobicContact CG-CE2 4.43Å; V63-F76 HydrophobicContact CG2-CB 3.81Å; V63-F76 HydrophobicContact CG2-CD2 4.25Å; V63-F76 HydrophobicContact CG2-CG 4.01Å; S72-F76 VanDerWaalsContact O-CB 3.26Å; S72-F76 WeakPolarHBondContact O-CB 3.44Å; S72-F76 PolarHBondContact O-N 2.79Å; L73-F76 HydrophobicContact CD1-CD1 4.44Å; L73-F76 WeakPolarHBondContact O-CB 3.41Å; L73-F76 PolarHBondContact O-N 3.22Å; F76-G78 VanDerWaalsContact C-N 3.34Å; F76-G78 PolarHBondContact O-N 3.45Å; F76-L79 PolarHBondContact O-N 3.13Å; F76-L80 HydrophobicContact CD1-CD1 3.92Å; F76-L80 HydrophobicContact CD1-CG 4.47Å; F76-L80 HydrophobicContact CE1-CD1 3.39Å; F76-L80 HydrophobicContact CE1-CG 4.11Å; F76-L80 HydrophobicContact CZ-CD1 3.95Å; F76-L80 HydrophobicContact CZ-CD2 4.47Å; F76-L80 HydrophobicContact CZ-CG 4.3Å; F76-L80 PolarHBondContact O-N 3.17Å |
| 77 | L | 97.9 | Very high | 94 | Very high | 68 Ų | 68 | 38.8 Ų | 38.8 | 36% | 0.356 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 175.7 | -72 | 173.4 | 0 | 0 | 0 | 111.3 | L73 K74 L79 L80 F81 | L73-L77 HydrophobicContact CG-CD1 4.34Å; L73-L77 WeakPolarHBondContact O-CB 3.2Å; L73-L77 VanDerWaalsContact O-CG 3.28Å; L73-L77 WeakPolarHBondContact O-CG 3.3Å; L73-L77 PolarHBondContact O-N 3.46Å; K74-L77 PolarHBondContact O-N 3.21Å; L77-L79 VanDerWaalsContact C-N 3.31Å; L77-L79 PolarHBondContact O-N 3.14Å; L77-L80 HydrophobicContact CD2-CD1 4.38Å; L77-L80 WeakPolarHBondContact O-CB 3.32Å; L77-L80 PolarHBondContact O-N 3.19Å; L77-F81 WeakPolarHBondContact O-CD2 3.25Å; L77-F81 PolarHBondContact O-N 3.22Å |
| 78 | G | 98.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -43.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K74 I75 F76 L80 F81 S82 T105 | K74-G78 PolarHBondContact O-N 3.02Å; I75-G78 PolarHBondContact O-N 3.25Å; F76-G78 VanDerWaalsContact C-N 3.34Å; F76-G78 PolarHBondContact O-N 3.45Å; G78-L80 PolarHBondContact O-N 3.24Å; G78-F81 PolarHBondContact O-N 3.25Å; G78-S82 WeakPolarHBondContact O-CB 3.42Å; G78-S82 PolarHBondContact O-N 3.21Å; G78-S82 PolarHBondContact O-OG 2.89Å; G78-T105 WeakPolarHBondContact O-CG2 3.37Å; G78-T105 PolarHBondContact O-OG1 2.94Å |
| 79 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 176.2 | -72.2 | 167.3 | 0 | 0 | 0 | 112.6 | I51 L54 I55 V58 I75 F76 L77 S82 C83 Y109 Q220 | I51-L79 HydrophobicContact CG2-CB 4.48Å; I51-L79 HydrophobicContact CG2-CD2 4.24Å; I51-L79 WeakPolarHBondContact CG2-O 3.4Å; L54-L79 HydrophobicContact CB-CD1 4.25Å; L54-L79 HydrophobicContact CB-CD2 4.23Å; L54-L79 HydrophobicContact CD1-CD2 4.48Å; I55-L79 HydrophobicContact CD1-CB 4.43Å; I55-L79 HydrophobicContact CG1-CB 3.6Å; V58-L79 HydrophobicContact CB-CD1 4.08Å; V58-L79 HydrophobicContact CG2-CD1 3.54Å; I75-L79 HydrophobicContact CG2-CD1 4.29Å; I75-L79 WeakPolarHBondContact O-CG 3.39Å; I75-L79 PolarHBondContact O-N 3.17Å; F76-L79 PolarHBondContact O-N 3.13Å; L77-L79 VanDerWaalsContact C-N 3.31Å; L77-L79 PolarHBondContact O-N 3.14Å; L79-S82 WeakPolarHBondContact CA-OG 3.21Å; L79-S82 PolarHBondContact O-N 3.2Å; L79-S82 PolarHBondContact O-OG 2.91Å; L79-C83 WeakPolarHBondContact O-CB 3.17Å; L79-C83 PolarHBondContact O-N 3.28Å; L79-Y109 PolarHBondContact N-OH 3.26Å; L79-Q220 VanDerWaalsContact CD2-OE1 3.31Å |
| 80 | L | 98.4 | Very high | 96.9 | Very high | 65 Ų | 65 | 31.6 Ų | 31.6 | 34% | 0.34 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -58.5 | -49.1 | 175.3 | -73.8 | 173.6 | 0 | 0 | 0 | 111.7 | I55 F76 L77 G78 S82 C83 L84 | I55-L80 HydrophobicContact CD1-CD2 3.93Å; I55-L80 HydrophobicContact CG1-CD2 4.46Å; I55-L80 HydrophobicContact CG2-CD2 4.08Å; F76-L80 HydrophobicContact CD1-CD1 3.92Å; F76-L80 HydrophobicContact CD1-CG 4.47Å; F76-L80 HydrophobicContact CE1-CD1 3.39Å; F76-L80 HydrophobicContact CE1-CG 4.11Å; F76-L80 HydrophobicContact CZ-CD1 3.95Å; F76-L80 HydrophobicContact CZ-CD2 4.47Å; F76-L80 HydrophobicContact CZ-CG 4.3Å; F76-L80 PolarHBondContact O-N 3.17Å; L77-L80 HydrophobicContact CD2-CD1 4.38Å; L77-L80 WeakPolarHBondContact O-CB 3.32Å; L77-L80 PolarHBondContact O-N 3.19Å; G78-L80 PolarHBondContact O-N 3.24Å; L80-S82 VanDerWaalsContact C-N 3.33Å; L80-S82 PolarHBondContact O-N 3.02Å; L80-C83 WeakPolarHBondContact O-CB 3.5Å; L80-C83 PolarHBondContact O-N 3.1Å; L80-L84 PolarHBondContact O-N 2.97Å; L80-L84 VanDerWaalsContact O-N 3.14Å |
| 81 | F | 98.6 | Very high | 97.2 | Very high | 61 Ų | 61 | 32.6 Ų | 32.6 | 27% | 0.268 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -67 | -34.5 | 177.8 | -72.7 | -67.1 | 0 | 0 | 0 | 112.2 | L77 G78 C83 L84 G85 M101 I104 T105 | L77-F81 WeakPolarHBondContact O-CD2 3.25Å; L77-F81 PolarHBondContact O-N 3.22Å; G78-F81 PolarHBondContact O-N 3.25Å; F81-C83 VanDerWaalsContact C-N 3.31Å; F81-C83 PolarHBondContact O-N 2.74Å; F81-L84 HydrophobicContact CD1-CD1 4.23Å; F81-L84 PolarHBondContact O-N 3.19Å; F81-G85 PolarHBondContact O-N 3.02Å; F81-M101 HydrophobicContact CD1-SD 3.84Å; F81-M101 HydrophobicContact CE1-SD 4.38Å; F81-M101 WeakPolarHBondContact O-CB 3.44Å; F81-I104 HydrophobicContact CB-CB 4.43Å; F81-I104 HydrophobicContact CB-CG2 4.28Å; F81-I104 HydrophobicContact CD1-CB 4.37Å; F81-I104 HydrophobicContact CD1-CD1 4.38Å; F81-I104 HydrophobicContact CD1-CG2 3.94Å; F81-I104 HydrophobicContact CD2-CB 4.4Å; F81-I104 HydrophobicContact CD2-CG2 3.4Å; F81-I104 HydrophobicContact CE1-CD1 4.36Å; F81-I104 HydrophobicContact CE1-CG2 4.09Å; F81-I104 HydrophobicContact CE2-CG2 3.58Å; F81-I104 HydrophobicContact CG-CB 4.16Å; F81-I104 HydrophobicContact CG-CG2 3.6Å; F81-I104 HydrophobicContact CZ-CG2 3.93Å; F81-T105 VanDerWaalsContact C-OG1 3.31Å; F81-T105 WeakPolarHBondContact CB-OG1 3.4Å |
| 82 | S | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.3 | -35.6 | 175.9 | 74.2 | 0 | 0 | 0 | 0 | 112 | I51 G78 L79 L80 G85 D86 T105 Q220 | I51-S82 WeakPolarHBondContact CG2-OG 3.49Å; G78-S82 WeakPolarHBondContact O-CB 3.42Å; G78-S82 PolarHBondContact O-N 3.21Å; G78-S82 PolarHBondContact O-OG 2.89Å; L79-S82 WeakPolarHBondContact CA-OG 3.21Å; L79-S82 PolarHBondContact O-N 3.2Å; L79-S82 PolarHBondContact O-OG 2.91Å; L80-S82 VanDerWaalsContact C-N 3.33Å; L80-S82 PolarHBondContact O-N 3.02Å; S82-G85 CarbonylContact O-C 3.58Å; S82-G85 PolarHBondContact O-N 2.76Å; S82-D86 PolarHBondContact O-N 2.95Å; S82-T105 WeakPolarHBondContact CA-OG1 3.22Å; S82-T105 PolarHBondContact N-OG1 3.15Å; S82-Q220 VanDerWaalsContact CB-NE2 3.26Å; S82-Q220 PolarHBondContact OG-NE2 3.22Å; S82-Q220 VanDerWaalsContact OG-NE2 3.15Å |
| 83 | C | 98.5 | Very high | 97.2 | Very high | 16 Ų | 16 | 41.2 Ų | 41.2 | 11% | 0.108 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 174.3 | -169.6 | 0 | 0 | 0 | 0 | 111.5 | I51 I55 L79 L80 F81 D86 A87 | I51-C83 HydrophobicContact CB-CB 4.36Å; I51-C83 HydrophobicContact CG2-CB 3.78Å; I55-C83 HydrophobicContact CD1-CB 4.03Å; L79-C83 WeakPolarHBondContact O-CB 3.17Å; L79-C83 PolarHBondContact O-N 3.28Å; L80-C83 WeakPolarHBondContact O-CB 3.5Å; L80-C83 PolarHBondContact O-N 3.1Å; F81-C83 VanDerWaalsContact C-N 3.31Å; F81-C83 PolarHBondContact O-N 2.74Å; C83-D86 PolarHBondContact O-N 3.25Å; C83-A87 PolarHBondContact O-N 3.41Å; C83-A87 VanDerWaalsContact O-N 3.11Å |
| 84 | L | 98.4 | Very high | 97.2 | Very high | 79 Ų | 79 | 40.9 Ų | 40.9 | 41% | 0.414 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.9 | -39.7 | 172.4 | -66.2 | 175.2 | 0 | 0 | 0 | 111.5 | L80 F81 A87 F88 M101 | L80-L84 PolarHBondContact O-N 2.97Å; L80-L84 VanDerWaalsContact O-N 3.14Å; F81-L84 HydrophobicContact CD1-CD1 4.23Å; F81-L84 PolarHBondContact O-N 3.19Å; L84-A87 PolarHBondContact O-N 2.98Å; L84-F88 WeakPolarHBondContact O-CB 3.21Å; L84-F88 VanDerWaalsContact O-CG 3.32Å; L84-F88 WeakPolarHBondContact O-CG 3.49Å; L84-F88 PolarHBondContact O-N 3.33Å; L84-M101 HydrophobicContact CB-CB 4.38Å; L84-M101 HydrophobicContact CB-CG 3.98Å; L84-M101 HydrophobicContact CB-SD 4.21Å; L84-M101 HydrophobicContact CD1-SD 4.18Å |
| 85 | G | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | F81 S82 A87 F88 L89 | F81-G85 PolarHBondContact O-N 3.02Å; S82-G85 CarbonylContact O-C 3.58Å; S82-G85 PolarHBondContact O-N 2.76Å; G85-A87 VanDerWaalsContact C-N 3.3Å; G85-A87 PolarHBondContact O-N 3.45Å; G85-F88 PolarHBondContact O-N 3.45Å; G85-L89 WeakPolarHBondContact O-CB 3.46Å; G85-L89 VanDerWaalsContact O-CG 3.32Å; G85-L89 WeakPolarHBondContact O-CG 3.21Å; G85-L89 PolarHBondContact O-N 3.25Å |
| 86 | D | 97.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 176.5 | -83.5 | -37.1 | 0 | 0 | 0 | 112.2 | K47 I51 S82 C83 V90 Y216 | K47-D86 HydrophobicContact CD-CB 4.42Å; K47-D86 WeakPolarHBondContact CE-OD1 3.39Å; K47-D86 HydrophobicContact CG-CB 4.44Å; K47-D86 PolarHBondContact NZ-O 3.46Å; K47-D86 IonicContact NZ-OD1 3.89Å; I51-D86 VanDerWaalsContact CG1-OD2 3.29Å; I51-D86 WeakPolarHBondContact CG1-OD2 3.12Å; S82-D86 PolarHBondContact O-N 2.95Å; C83-D86 PolarHBondContact O-N 3.25Å; D86-V90 WeakPolarHBondContact O-CG2 3.23Å; D86-Y216 WeakPolarHBondContact OD1-CE1 3.47Å; D86-Y216 WeakPolarHBondContact OD2-CE1 3.13Å; D86-Y216 VanDerWaalsContact OD2-CZ 3.32Å; D86-Y216 PolarHBondContact OD2-OH 3.43Å |
| 87 | A | 98 | Very high | 96.9 | Very high | 19 Ų | 19 | 43.5 Ų | 43.5 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -47.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | C44 C83 L84 G85 V90 W91 | C44-A87 VanDerWaalsContact SG-CA 3.59Å; C83-A87 PolarHBondContact O-N 3.41Å; C83-A87 VanDerWaalsContact O-N 3.11Å; L84-A87 PolarHBondContact O-N 2.98Å; G85-A87 VanDerWaalsContact C-N 3.3Å; G85-A87 PolarHBondContact O-N 3.45Å; A87-V90 WeakPolarHBondContact O-CB 3.18Å; A87-V90 PolarHBondContact O-N 3.39Å; A87-W91 VanDerWaalsContact O-CE3 3.31Å; A87-W91 VanDerWaalsContact O-CZ3 3.24Å; A87-W91 WeakPolarHBondContact O-CZ3 3.37Å |
| 88 | F | 97.8 | Very high | 96.9 | Very high | 64 Ų | 64 | 40.2 Ų | 40.2 | 28% | 0.281 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66 | -40 | -179.9 | -69.8 | -8.6 | 0 | 0 | 0 | 112.2 | L84 G85 V90 W91 L94 P97 G98 M101 | L84-F88 WeakPolarHBondContact O-CB 3.21Å; L84-F88 VanDerWaalsContact O-CG 3.32Å; L84-F88 WeakPolarHBondContact O-CG 3.49Å; L84-F88 PolarHBondContact O-N 3.33Å; G85-F88 PolarHBondContact O-N 3.45Å; F88-V90 PolarHBondContact O-N 3.41Å; F88-W91 PolarHBondContact O-N 2.88Å; F88-W91 VanDerWaalsContact O-N 3.14Å; F88-L94 HydrophobicContact CB-CB 4.09Å; F88-L94 HydrophobicContact CD1-CD1 4.17Å; F88-L94 VanDerWaalsContact O-CB 3.3Å; F88-L94 WeakPolarHBondContact O-CB 3.43Å; F88-P97 HydrophobicContact CD2-CB 3.75Å; F88-P97 HydrophobicContact CE2-CB 4.14Å; F88-P97 HydrophobicContact CG-CB 4.41Å; F88-G98 VanDerWaalsContact CB-CA 3.5Å; F88-M101 HydrophobicContact CD2-CG 3.63Å; F88-M101 HydrophobicContact CE2-CG 3.58Å; F88-M101 HydrophobicContact CE2-SD 4.22Å |
| 89 | L | 95.8 | Very high | 96.8 | Very high | 31 Ų | 31 | 41.1 Ų | 41.1 | 16% | 0.162 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -4.2 | 177 | -69.8 | -168.8 | 0 | 0 | 0 | 114.2 | G85 W91 L95 F102 L195 | G85-L89 WeakPolarHBondContact O-CB 3.46Å; G85-L89 VanDerWaalsContact O-CG 3.32Å; G85-L89 WeakPolarHBondContact O-CG 3.21Å; G85-L89 PolarHBondContact O-N 3.25Å; L89-W91 VanDerWaalsContact C-N 3.33Å; L89-L95 HydrophobicContact CD2-CD1 3.64Å; L89-F102 HydrophobicContact CD1-CD2 3.94Å; L89-F102 HydrophobicContact CD1-CE2 3.46Å; L89-F102 VanDerWaalsContact CD1-CE2 3.46Å; L89-F102 HydrophobicContact CD1-CZ 4.47Å; L89-F102 HydrophobicContact CG-CD2 4.43Å; L89-F102 HydrophobicContact CG-CE2 4.02Å; L89-L195 HydrophobicContact CD1-CD2 4.07Å |
| 90 | V | 96.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -31 | 171 | 177 | 0 | 0 | 0 | 0 | 111.8 | Y37 Y43 C44 K47 D86 A87 F88 | Y37-V90 PolarHBondContact OH-O 3.09Å; Y43-V90 HydrophobicContact CD1-CG1 3.99Å; Y43-V90 HydrophobicContact CD1-CG2 3.92Å; Y43-V90 HydrophobicContact CE1-CG2 4.27Å; C44-V90 HydrophobicContact CB-CB 4.21Å; C44-V90 HydrophobicContact CB-CG1 4.15Å; C44-V90 HydrophobicContact CB-CG2 3.72Å; K47-V90 HydrophobicContact CD-CG2 4.02Å; D86-V90 WeakPolarHBondContact O-CG2 3.23Å; A87-V90 WeakPolarHBondContact O-CB 3.18Å; A87-V90 PolarHBondContact O-N 3.39Å; F88-V90 PolarHBondContact O-N 3.41Å |
| 91 | W | 96.5 | Very high | 96.7 | Very high | 80 Ų | 80 | 41.9 Ų | 41.9 | 30% | 0.303 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -110.3 | 125.9 | -179.2 | -64.4 | -81.2 | 0 | 0 | 0 | 110.7 | S39 V41 C44 A87 F88 L89 S93 L94 | S39-W91 PolarHBondContact O-NE1 3.2Å; V41-W91 HydrophobicContact CG2-CZ2 4.32Å; C44-W91 HydrophobicContact CB-CH2 3.92Å; C44-W91 HydrophobicContact CB-CZ3 4.35Å; A87-W91 VanDerWaalsContact O-CE3 3.31Å; A87-W91 VanDerWaalsContact O-CZ3 3.24Å; A87-W91 WeakPolarHBondContact O-CZ3 3.37Å; F88-W91 PolarHBondContact O-N 2.88Å; F88-W91 VanDerWaalsContact O-N 3.14Å; L89-W91 VanDerWaalsContact C-N 3.33Å; W91-S93 PolarHBondContact O-N 2.91Å; W91-S93 VanDerWaalsContact O-N 3.13Å; W91-L94 HydrophobicContact CB-CD1 4.37Å; W91-L94 HydrophobicContact CB-CG 4.41Å; W91-L94 HydrophobicContact CE3-CD1 4.1Å; W91-L94 PolarHBondContact O-N 3.44Å |
| 92 | P | 91.8 | Very high | 96.7 | Very high | 98 Ų | 98 | 39.3 Ų | 39.3 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -56.3 | -32.5 | -178.7 | -27.9 | 35.4 | 0 | 0 | 0 | 114.1 | L94 L95 | P92-L94 PolarHBondContact O-N 3.2Å; P92-L95 WeakPolarHBondContact O-CB 3.46Å; P92-L95 PolarHBondContact O-N 2.94Å |
| 93 | S | 94.7 | Very high | 96.7 | Very high | 105 Ų | 105 | 40 Ų | 40 | 73% | 0.734 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -64.5 | -19.9 | 176 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | W91 | W91-S93 PolarHBondContact O-N 2.91Å; W91-S93 VanDerWaalsContact O-N 3.13Å |
| 94 | L | 95.7 | Very high | 96.7 | Very high | 58 Ų | 58 | 42.1 Ų | 42.1 | 30% | 0.304 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -105.4 | 17 | 180 | -63.3 | 179.6 | 0 | 0 | 0 | 112.5 | F88 W91 P92 I96 P97 G98 | F88-L94 HydrophobicContact CB-CB 4.09Å; F88-L94 HydrophobicContact CD1-CD1 4.17Å; F88-L94 VanDerWaalsContact O-CB 3.3Å; F88-L94 WeakPolarHBondContact O-CB 3.43Å; W91-L94 HydrophobicContact CB-CD1 4.37Å; W91-L94 HydrophobicContact CB-CG 4.41Å; W91-L94 HydrophobicContact CE3-CD1 4.1Å; W91-L94 PolarHBondContact O-N 3.44Å; P92-L94 PolarHBondContact O-N 3.2Å; L94-I96 PolarHBondContact O-N 3.13Å; L94-P97 HydrophobicContact CD2-CG 4.19Å; L94-P97 WeakPolarHBondContact O-CD 3.4Å; L94-G98 PolarHBondContact O-N 3.47Å |
| 95 | L | 93.6 | Very high | 96.7 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.2 | -54 | 178.1 | 178 | 61.3 | 0 | 0 | 0 | 112.2 | L89 P92 G98 M99 L199 F200 | L89-L95 HydrophobicContact CD2-CD1 3.64Å; P92-L95 WeakPolarHBondContact O-CB 3.46Å; P92-L95 PolarHBondContact O-N 2.94Å; L95-G98 PolarHBondContact O-N 2.91Å; L95-M99 HydrophobicContact CD1-CG 4.32Å; L95-M99 HydrophobicContact CD1-SD 4.45Å; L95-M99 HydrophobicContact CG-SD 4.41Å; L95-M99 WeakPolarHBondContact O-CG 3.43Å; L95-M99 PolarHBondContact O-N 2.94Å; L95-L199 HydrophobicContact CD1-CD1 3.94Å; L95-F200 HydrophobicContact CD2-CZ 4.33Å |
| 96 | I | 94.4 | Very high | 96.8 | Very high | 72 Ų | 72 | 38.3 Ų | 38.3 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64 | -47.8 | -179 | -64.6 | -167.2 | 0 | 0 | 0 | 112.2 | L94 G98 M99 A100 I144 | L94-I96 PolarHBondContact O-N 3.13Å; I96-G98 VanDerWaalsContact C-N 3.28Å; I96-G98 PolarHBondContact O-N 3.43Å; I96-M99 PolarHBondContact O-N 3.28Å; I96-A100 PolarHBondContact O-N 3.39Å; I96-I144 HydrophobicContact CD1-CG2 3.96Å |
| 97 | P | 97 | Very high | 96.8 | Very high | 50 Ų | 50 | 42 Ų | 42 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -53.2 | -42.8 | 170.2 | -29.4 | 34.9 | 0 | 0 | 0 | 113.5 | F88 L94 A100 M101 | F88-P97 HydrophobicContact CD2-CB 3.75Å; F88-P97 HydrophobicContact CE2-CB 4.14Å; F88-P97 HydrophobicContact CG-CB 4.41Å; L94-P97 HydrophobicContact CD2-CG 4.19Å; L94-P97 WeakPolarHBondContact O-CD 3.4Å; P97-A100 WeakPolarHBondContact O-CB 3.4Å; P97-A100 PolarHBondContact O-N 2.87Å; P97-M101 WeakPolarHBondContact O-CG 3.4Å; P97-M101 PolarHBondContact O-N 2.91Å |
| 98 | G | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -46.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F88 L94 L95 I96 A100 M101 F102 | F88-G98 VanDerWaalsContact CB-CA 3.5Å; L94-G98 PolarHBondContact O-N 3.47Å; L95-G98 PolarHBondContact O-N 2.91Å; I96-G98 VanDerWaalsContact C-N 3.28Å; I96-G98 PolarHBondContact O-N 3.43Å; G98-A100 VanDerWaalsContact C-N 3.29Å; G98-A100 PolarHBondContact O-N 3.41Å; G98-M101 PolarHBondContact O-N 3.38Å; G98-F102 WeakPolarHBondContact O-CD2 3.5Å; G98-F102 PolarHBondContact O-N 2.72Å |
| 99 | M | 96.6 | Very high | 96.8 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.9 | -39.3 | 173.2 | -69.6 | -173.2 | 64.6 | 0 | 0 | 112.3 | L95 I96 F102 A103 V148 I149 Y152 | L95-M99 HydrophobicContact CD1-CG 4.32Å; L95-M99 HydrophobicContact CD1-SD 4.45Å; L95-M99 HydrophobicContact CG-SD 4.41Å; L95-M99 WeakPolarHBondContact O-CG 3.43Å; L95-M99 PolarHBondContact O-N 2.94Å; I96-M99 PolarHBondContact O-N 3.28Å; M99-F102 PolarHBondContact O-N 3.28Å; M99-A103 WeakPolarHBondContact O-CB 3.26Å; M99-A103 PolarHBondContact O-N 2.82Å; M99-V148 HydrophobicContact CE-CG1 4.23Å; M99-I149 HydrophobicContact CE-CD1 3.37Å; M99-I149 HydrophobicContact SD-CD1 3.79Å; M99-Y152 HydrophobicContact CB-CD2 4.38Å; M99-Y152 HydrophobicContact CB-CE2 4.44Å; M99-Y152 HydrophobicContact CE-CD1 4.21Å; M99-Y152 HydrophobicContact CE-CD2 3.91Å; M99-Y152 HydrophobicContact CE-CG 3.74Å; M99-Y152 WeakPolarHBondContact O-CE2 3.29Å |
| 100 | A | 97.5 | Very high | 96.9 | Very high | 44 Ų | 44 | 38 Ų | 38 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I96 P97 G98 F102 A103 I104 | I96-A100 PolarHBondContact O-N 3.39Å; P97-A100 WeakPolarHBondContact O-CB 3.4Å; P97-A100 PolarHBondContact O-N 2.87Å; G98-A100 VanDerWaalsContact C-N 3.29Å; G98-A100 PolarHBondContact O-N 3.41Å; A100-F102 VanDerWaalsContact C-N 3.34Å; A100-F102 PolarHBondContact O-N 3.37Å; A100-A103 WeakPolarHBondContact O-CB 3.32Å; A100-A103 PolarHBondContact O-N 3.04Å; A100-I104 WeakPolarHBondContact O-CG1 3.45Å; A100-I104 PolarHBondContact O-N 3.41Å |
| 101 | M | 98.4 | Very high | 97 | Very high | 36 Ų | 36 | 40.9 Ų | 40.9 | 18% | 0.177 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 175.4 | -64.8 | -58.5 | 104.9 | 0 | 0 | 112 | F81 L84 F88 P97 G98 I104 T105 | F81-M101 HydrophobicContact CD1-SD 3.84Å; F81-M101 HydrophobicContact CE1-SD 4.38Å; F81-M101 WeakPolarHBondContact O-CB 3.44Å; L84-M101 HydrophobicContact CB-CB 4.38Å; L84-M101 HydrophobicContact CB-CG 3.98Å; L84-M101 HydrophobicContact CB-SD 4.21Å; L84-M101 HydrophobicContact CD1-SD 4.18Å; F88-M101 HydrophobicContact CD2-CG 3.63Å; F88-M101 HydrophobicContact CE2-CG 3.58Å; F88-M101 HydrophobicContact CE2-SD 4.22Å; P97-M101 WeakPolarHBondContact O-CG 3.4Å; P97-M101 PolarHBondContact O-N 2.91Å; G98-M101 PolarHBondContact O-N 3.38Å; M101-I104 HydrophobicContact CE-CD1 3.81Å; M101-I104 PolarHBondContact O-N 3.06Å; M101-I104 HydrophobicContact SD-CD1 4.48Å; M101-T105 PolarHBondContact O-N 3.38Å; M101-T105 PolarHBondContact O-OG1 3.43Å |
| 102 | F | 98.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.1 | -36.1 | 172.7 | -80.9 | -66.9 | 0 | 0 | 0 | 113 | L89 G98 M99 A100 I104 T105 H106 Y152 F188 Y216 | L89-F102 HydrophobicContact CD1-CD2 3.94Å; L89-F102 HydrophobicContact CD1-CE2 3.46Å; L89-F102 VanDerWaalsContact CD1-CE2 3.46Å; L89-F102 HydrophobicContact CD1-CZ 4.47Å; L89-F102 HydrophobicContact CG-CD2 4.43Å; L89-F102 HydrophobicContact CG-CE2 4.02Å; G98-F102 WeakPolarHBondContact O-CD2 3.5Å; G98-F102 PolarHBondContact O-N 2.72Å; M99-F102 PolarHBondContact O-N 3.28Å; A100-F102 VanDerWaalsContact C-N 3.34Å; A100-F102 PolarHBondContact O-N 3.37Å; F102-I104 VanDerWaalsContact C-N 3.32Å; F102-I104 PolarHBondContact O-N 3.35Å; F102-T105 WeakPolarHBondContact O-CA 3.28Å; F102-T105 WeakPolarHBondContact O-CB 3.32Å; F102-T105 PolarHBondContact O-N 3Å; F102-T105 VanDerWaalsContact O-N 3.12Å; F102-H106 PolarHBondContact O-CD2 2.97Å; F102-H106 VanDerWaalsContact O-CG 3.31Å; F102-H106 PolarHBondContact O-N 2.89Å; F102-Y152 HydrophobicContact CB-CE2 3.93Å; F102-Y152 VanDerWaalsContact CB-OH 3.29Å; F102-Y152 WeakPolarHBondContact CB-OH 3.5Å; F102-F188 HydrophobicContact CD1-CE1 4.16Å; F102-F188 AromaticContact CD1-CZ 3.71Å; F102-F188 HydrophobicContact CD1-CZ 3.71Å; F102-F188 HydrophobicContact CE1-CE1 4.28Å; F102-F188 AromaticContact CE1-CZ 3.84Å; F102-F188 HydrophobicContact CE1-CZ 3.84Å; F102-Y216 AromaticContact CE1-CE2 3.79Å; F102-Y216 HydrophobicContact CE1-CE2 3.79Å; F102-Y216 AromaticContact CE1-CZ 3.98Å; F102-Y216 HydrophobicContact CZ-CE2 4.33Å |
| 103 | A | 98.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 12% | 0.124 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M99 A100 T105 H106 I107 Y152 I155 | M99-A103 WeakPolarHBondContact O-CB 3.26Å; M99-A103 PolarHBondContact O-N 2.82Å; A100-A103 WeakPolarHBondContact O-CB 3.32Å; A100-A103 PolarHBondContact O-N 3.04Å; A103-T105 VanDerWaalsContact C-N 3.3Å; A103-T105 PolarHBondContact O-N 2.99Å; A103-H106 PolarHBondContact O-N 3.44Å; A103-I107 VanDerWaalsContact O-CG1 3.3Å; A103-I107 WeakPolarHBondContact O-CG1 3.29Å; A103-I107 PolarHBondContact O-N 3.02Å; A103-Y152 HydrophobicContact CB-CD2 4.13Å; A103-Y152 HydrophobicContact CB-CE2 4.3Å; A103-I155 HydrophobicContact CB-CD1 4.2Å |
| 104 | I | 98.5 | Very high | 97.1 | Very high | 59 Ų | 59 | 28.9 Ų | 28.9 | 30% | 0.303 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.1 | -37 | 174.4 | -62 | 166.5 | 0 | 0 | 0 | 111.1 | F81 A100 M101 F102 I107 S108 | F81-I104 HydrophobicContact CB-CB 4.43Å; F81-I104 HydrophobicContact CB-CG2 4.28Å; F81-I104 HydrophobicContact CD1-CB 4.37Å; F81-I104 HydrophobicContact CD1-CD1 4.38Å; F81-I104 HydrophobicContact CD1-CG2 3.94Å; F81-I104 HydrophobicContact CD2-CB 4.4Å; F81-I104 HydrophobicContact CD2-CG2 3.4Å; F81-I104 HydrophobicContact CE1-CD1 4.36Å; F81-I104 HydrophobicContact CE1-CG2 4.09Å; F81-I104 HydrophobicContact CE2-CG2 3.58Å; F81-I104 HydrophobicContact CG-CB 4.16Å; F81-I104 HydrophobicContact CG-CG2 3.6Å; F81-I104 HydrophobicContact CZ-CG2 3.93Å; A100-I104 WeakPolarHBondContact O-CG1 3.45Å; A100-I104 PolarHBondContact O-N 3.41Å; M101-I104 HydrophobicContact CE-CD1 3.81Å; M101-I104 PolarHBondContact O-N 3.06Å; M101-I104 HydrophobicContact SD-CD1 4.48Å; F102-I104 VanDerWaalsContact C-N 3.32Å; F102-I104 PolarHBondContact O-N 3.35Å; I104-I107 PolarHBondContact O-N 2.85Å; I104-S108 WeakPolarHBondContact O-CB 3.29Å; I104-S108 PolarHBondContact O-N 3.35Å; I104-S108 PolarHBondContact O-OG 3.11Å |
| 105 | T | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -56.7 | -52.4 | 171.9 | -59.3 | 0 | 0 | 0 | 0 | 111 | G78 F81 S82 M101 F102 A103 I107 S108 Y109 F188 | G78-T105 WeakPolarHBondContact O-CG2 3.37Å; G78-T105 PolarHBondContact O-OG1 2.94Å; F81-T105 VanDerWaalsContact C-OG1 3.31Å; F81-T105 WeakPolarHBondContact CB-OG1 3.4Å; S82-T105 WeakPolarHBondContact CA-OG1 3.22Å; S82-T105 PolarHBondContact N-OG1 3.15Å; M101-T105 PolarHBondContact O-N 3.38Å; M101-T105 PolarHBondContact O-OG1 3.43Å; F102-T105 WeakPolarHBondContact O-CA 3.28Å; F102-T105 WeakPolarHBondContact O-CB 3.32Å; F102-T105 PolarHBondContact O-N 3Å; F102-T105 VanDerWaalsContact O-N 3.12Å; A103-T105 VanDerWaalsContact C-N 3.3Å; A103-T105 PolarHBondContact O-N 2.99Å; T105-I107 PolarHBondContact O-N 3.13Å; T105-S108 WeakPolarHBondContact O-CA 3.2Å; T105-S108 WeakPolarHBondContact O-CB 3.4Å; T105-S108 PolarHBondContact O-N 2.83Å; T105-S108 VanDerWaalsContact O-N 3.09Å; T105-Y109 HydrophobicContact CG2-CD2 4.1Å; T105-Y109 HydrophobicContact CG2-CE1 4.45Å; T105-Y109 HydrophobicContact CG2-CE2 3.56Å; T105-Y109 PolarHBondContact O-N 3.25Å; T105-F188 HydrophobicContact CG2-CE2 3.99Å; T105-F188 HydrophobicContact CG2-CZ 4.3Å |
| 106 | H | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | -179.3 | -65.1 | -37.7 | 0 | 0 | 0 | 111.9 | F102 A103 S108 Y109 I110 Y152 I155 L156 M159 F188 D192 | F102-H106 PolarHBondContact O-CD2 2.97Å; F102-H106 VanDerWaalsContact O-CG 3.31Å; F102-H106 PolarHBondContact O-N 2.89Å; A103-H106 PolarHBondContact O-N 3.44Å; H106-S108 VanDerWaalsContact C-N 3.31Å; H106-S108 PolarHBondContact O-N 3.44Å; H106-Y109 PolarHBondContact O-N 3.39Å; H106-I110 VanDerWaalsContact O-CG1 3.22Å; H106-I110 WeakPolarHBondContact O-CG1 3.36Å; H106-I110 PolarHBondContact O-N 2.98Å; H106-Y152 AromaticContact CD2-CZ 3.95Å; H106-Y152 AromaticContact NE2-CZ 3.74Å; H106-Y152 PolarHBondContact NE2-OH 3.39Å; H106-Y152 VanDerWaalsContact NE2-OH 3.12Å; H106-I155 HydrophobicContact CB-CG2 3.6Å; H106-L156 VanDerWaalsContact CE1-CD1 3.5Å; H106-L156 WeakPolarHBondContact CE1-CD1 3.4Å; H106-L156 WeakPolarHBondContact NE2-CD1 3.49Å; H106-M159 HydrophobicContact CB-CB 4.11Å; H106-M159 HydrophobicContact CB-CG 4.26Å; H106-F188 AromaticContact CE1-CD1 3.77Å; H106-F188 AromaticContact CE1-CE1 3.43Å; H106-F188 VanDerWaalsContact CE1-CE1 3.43Å; H106-F188 WeakPolarHBondContact CE1-CE1 3.35Å; H106-F188 AromaticContact CE1-CE2 3.79Å; H106-F188 AromaticContact CE1-CZ 3.44Å; H106-F188 VanDerWaalsContact CE1-CZ 3.44Å; H106-F188 WeakPolarHBondContact CE1-CZ 3.31Å; H106-D192 IonicContact CE1-OD2 3.55Å; H106-D192 IonicContact NE2-OD2 2.99Å; H106-D192 PolarHBondContact NE2-OD2 2.89Å |
| 107 | I | 98.5 | Very high | 96.1 | Very high | 81 Ų | 81 | 38.3 Ų | 38.3 | 42% | 0.415 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.2 | -42.6 | 174.2 | -68.1 | 165 | 0 | 0 | 0 | 110.8 | A103 I104 T105 Y109 I110 C111 I155 | A103-I107 VanDerWaalsContact O-CG1 3.3Å; A103-I107 WeakPolarHBondContact O-CG1 3.29Å; A103-I107 PolarHBondContact O-N 3.02Å; I104-I107 PolarHBondContact O-N 2.85Å; T105-I107 PolarHBondContact O-N 3.13Å; I107-Y109 VanDerWaalsContact C-N 3.31Å; I107-Y109 PolarHBondContact O-N 3.32Å; I107-I110 PolarHBondContact O-N 2.85Å; I107-C111 WeakPolarHBondContact O-CB 3.41Å; I107-C111 PolarHBondContact O-N 3.21Å; I107-C111 PolarHBondContact O-SG 3.36Å; I107-I155 HydrophobicContact CD1-CD1 4.47Å; I107-I155 HydrophobicContact CG1-CG2 4.03Å |
| 108 | S | 98.3 | Very high | 95.7 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 176.8 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | K74 I104 T105 H106 C111 A112 | K74-S108 WeakPolarHBondContact O-CB 3.27Å; I104-S108 WeakPolarHBondContact O-CB 3.29Å; I104-S108 PolarHBondContact O-N 3.35Å; I104-S108 PolarHBondContact O-OG 3.11Å; T105-S108 WeakPolarHBondContact O-CA 3.2Å; T105-S108 WeakPolarHBondContact O-CB 3.4Å; T105-S108 PolarHBondContact O-N 2.83Å; T105-S108 VanDerWaalsContact O-N 3.09Å; H106-S108 VanDerWaalsContact C-N 3.31Å; H106-S108 PolarHBondContact O-N 3.44Å; S108-C111 WeakPolarHBondContact O-CB 3.35Å; S108-C111 PolarHBondContact O-N 3.49Å; S108-A112 PolarHBondContact O-N 3.1Å |
| 109 | Y | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.3 | -40.2 | 176 | -64.9 | -14 | 0 | 0 | 0 | 113.2 | I75 L79 T105 H106 I107 C111 A112 F113 F188 Q220 I223 | I75-Y109 HydrophobicContact CD1-CD1 3.63Å; I75-Y109 HydrophobicContact CD1-CE1 4.03Å; I75-Y109 HydrophobicContact CD1-CG 4.45Å; I75-Y109 HydrophobicContact CG2-CE1 4.31Å; L79-Y109 PolarHBondContact N-OH 3.26Å; T105-Y109 HydrophobicContact CG2-CD2 4.1Å; T105-Y109 HydrophobicContact CG2-CE1 4.45Å; T105-Y109 HydrophobicContact CG2-CE2 3.56Å; T105-Y109 PolarHBondContact O-N 3.25Å; H106-Y109 PolarHBondContact O-N 3.39Å; I107-Y109 VanDerWaalsContact C-N 3.31Å; I107-Y109 PolarHBondContact O-N 3.32Å; Y109-C111 VanDerWaalsContact C-N 3.28Å; Y109-C111 PolarHBondContact O-N 2.89Å; Y109-A112 WeakPolarHBondContact O-CB 3.49Å; Y109-A112 PolarHBondContact O-N 3.05Å; Y109-F113 WeakPolarHBondContact O-CD2 3.26Å; Y109-F113 WeakPolarHBondContact O-CG 3.22Å; Y109-F113 PolarHBondContact O-N 2.87Å; Y109-F188 HydrophobicContact CD2-CD2 4.48Å; Y109-F188 HydrophobicContact CD2-CE2 4.45Å; Y109-F188 HydrophobicContact CE2-CD2 4.07Å; Y109-F188 AromaticContact CE2-CE2 3.83Å; Y109-F188 HydrophobicContact CE2-CE2 3.83Å; Y109-Q220 PolarHBondContact OH-OE1 3.26Å; Y109-I223 HydrophobicContact CD1-CG2 4.39Å; Y109-I223 HydrophobicContact CD2-CD1 3.84Å; Y109-I223 HydrophobicContact CD2-CG2 4.5Å; Y109-I223 HydrophobicContact CE1-CG2 4.13Å; Y109-I223 HydrophobicContact CE2-CD1 3.74Å; Y109-I223 HydrophobicContact CE2-CG2 4.22Å |
| 110 | I | 98 | Very high | 95.1 | Very high | 15 Ų | 15 | 47.9 Ų | 47.9 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.7 | -47.9 | 171 | -70.5 | 162.7 | 0 | 0 | 0 | 110 | H106 I107 A112 F113 G114 F115 I155 I158 M159 R162 | H106-I110 VanDerWaalsContact O-CG1 3.22Å; H106-I110 WeakPolarHBondContact O-CG1 3.36Å; H106-I110 PolarHBondContact O-N 2.98Å; I107-I110 PolarHBondContact O-N 2.85Å; I110-A112 VanDerWaalsContact C-N 3.28Å; I110-A112 PolarHBondContact O-N 2.68Å; I110-F113 PolarHBondContact O-N 3.32Å; I110-G114 PolarHBondContact O-N 3Å; I110-F115 HydrophobicContact CG2-CE2 3.71Å; I110-F115 HydrophobicContact CG2-CZ 3.47Å; I110-F115 VanDerWaalsContact CG2-CZ 3.47Å; I110-I155 HydrophobicContact CD1-CG2 4.23Å; I110-I158 HydrophobicContact CD1-CB 3.97Å; I110-I158 HydrophobicContact CD1-CG2 3.64Å; I110-I158 HydrophobicContact CG1-CG2 4Å; I110-I158 HydrophobicContact CG2-CG2 4.19Å; I110-M159 HydrophobicContact CD1-CB 4.04Å; I110-M159 VanDerWaalsContact CG1-CA 3.47Å; I110-M159 HydrophobicContact CG1-CB 3.75Å; I110-M159 HydrophobicContact CG1-CG 4.31Å; I110-R162 HydrophobicContact CG2-CG 4.16Å |
| 111 | C | 97.2 | Very high | 95 | Very high | 59 Ų | 59 | 50.8 Ų | 50.8 | 40% | 0.399 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.4 | -32.1 | 177.2 | -74.2 | 0 | 0 | 0 | 0 | 112.8 | K74 I107 S108 Y109 | K74-C111 HydrophobicContact CD-CB 3.96Å; K74-C111 WeakPolarHBondContact CD-O 3.5Å; K74-C111 PolarHBondContact NZ-O 3.27Å; I107-C111 WeakPolarHBondContact O-CB 3.41Å; I107-C111 PolarHBondContact O-N 3.21Å; I107-C111 PolarHBondContact O-SG 3.36Å; S108-C111 WeakPolarHBondContact O-CB 3.35Å; S108-C111 PolarHBondContact O-N 3.49Å; Y109-C111 VanDerWaalsContact C-N 3.28Å; Y109-C111 PolarHBondContact O-N 2.89Å |
| 112 | A | 95.5 | Very high | 94.7 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.5 | -49.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | Y71 K74 I75 S108 Y109 I110 G114 | Y71-A112 HydrophobicContact CD2-CB 3.92Å; Y71-A112 VanDerWaalsContact CD2-O 3.24Å; Y71-A112 WeakPolarHBondContact CD2-O 3.26Å; Y71-A112 HydrophobicContact CE2-CB 3.93Å; K74-A112 HydrophobicContact CB-CB 3.73Å; K74-A112 HydrophobicContact CD-CB 4.26Å; I75-A112 HydrophobicContact CD1-CB 3.52Å; I75-A112 HydrophobicContact CG1-CB 4.08Å; S108-A112 PolarHBondContact O-N 3.1Å; Y109-A112 WeakPolarHBondContact O-CB 3.49Å; Y109-A112 PolarHBondContact O-N 3.05Å; I110-A112 VanDerWaalsContact C-N 3.28Å; I110-A112 PolarHBondContact O-N 2.68Å; A112-G114 VanDerWaalsContact C-N 3.27Å; A112-G114 PolarHBondContact O-N 2.91Å |
| 113 | F | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.1 | -31.5 | 178.5 | -55.6 | -33.5 | 0 | 0 | 0 | 111.8 | Y71 I75 Y109 I110 M159 R162 A163 Q166 K169 I223 | Y71-F113 HydrophobicContact CE2-CD1 4.12Å; Y71-F113 HydrophobicContact CE2-CE1 4.49Å; I75-F113 HydrophobicContact CD1-CE1 4.32Å; Y109-F113 WeakPolarHBondContact O-CD2 3.26Å; Y109-F113 WeakPolarHBondContact O-CG 3.22Å; Y109-F113 PolarHBondContact O-N 2.87Å; I110-F113 PolarHBondContact O-N 3.32Å; F113-M159 HydrophobicContact CE2-CG 4.38Å; F113-M159 HydrophobicContact CE2-SD 4.13Å; F113-R162 HydrophobicContact CB-CB 3.84Å; F113-R162 HydrophobicContact CD2-CB 4.09Å; F113-R162 HydrophobicContact CG-CB 4.47Å; F113-A163 HydrophobicContact CD2-CB 3.97Å; F113-A163 HydrophobicContact CE2-CB 3.64Å; F113-A163 HydrophobicContact CZ-CB 4.19Å; F113-Q166 HydrophobicContact CB-CG 4.44Å; F113-Q166 HydrophobicContact CD1-CG 4.24Å; F113-Q166 HydrophobicContact CG-CG 4.42Å; F113-Q166 PolarHBondContact O-OE1 3.39Å; F113-K169 PolarHBondContact O-NZ 3.01Å; F113-I223 HydrophobicContact CZ-CG1 4.5Å |
| 114 | G | 94.3 | Very high | 94.4 | Very high | 20 Ų | 20 | 57.4 Ų | 57.4 | 21% | 0.206 | 29% | 0.289 | C | S | . | . | trans | 68.9 | 179.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I110 A112 R162 | I110-G114 PolarHBondContact O-N 3Å; A112-G114 VanDerWaalsContact C-N 3.27Å; A112-G114 PolarHBondContact O-N 2.91Å; G114-R162 PolarHBondContact O-NE 3.4Å; G114-R162 PolarHBondContact O-NH2 3.2Å | ||
| 115 | F | 92.9 | Very high | 94.3 | Very high | 112 Ų | 112 | 59.9 Ų | 59.9 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -111.2 | 12.8 | -171 | -71.2 | -87.8 | 0 | 0 | 0 | 114.8 | I110 L118 W161 R162 | I110-F115 HydrophobicContact CG2-CE2 3.71Å; I110-F115 HydrophobicContact CG2-CZ 3.47Å; I110-F115 VanDerWaalsContact CG2-CZ 3.47Å; F115-L118 HydrophobicContact CB-CD2 4.07Å; F115-L118 HydrophobicContact CD1-CD2 3.96Å; F115-L118 VanDerWaalsContact O-CD2 3.25Å; F115-L118 WeakPolarHBondContact O-CD2 3.32Å; F115-W161 HydrophobicContact CE1-CZ3 4.2Å; F115-R162 HydrophobicContact CE1-CG 4.26Å |
| 116 | Q | 86.2 | Confident | 94.1 | Very high | 147 Ų | 147 | 60.6 Ų | 60.6 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -68 | 139.1 | 173.3 | -68.6 | 179.4 | -13 | 0 | 0 | 110.8 | R162 | Q116-R162 PolarHBondContact O-NH2 2.86Å; Q116-R162 VanDerWaalsContact O-NH2 3.07Å |
| 117 | R | 84.4 | Confident | 94 | Very high | 113 Ų | 113 | 63.4 Ų | 63.4 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 48 | 79.5 | -175.3 | -63 | -174.5 | -178.2 | -166.3 | -7.3 | 112.1 | K119 T168 K169 E171 | R117-K119 PolarHBondContact O-N 2.89Å; R117-T168 WeakPolarHBondContact CD-O 3.44Å; R117-T168 PolarHBondContact NH1-O 2.85Å; R117-K169 PolarHBondContact NH1-O 2.74Å; R117-E171 IonicContact CZ-OE1 3.63Å; R117-E171 IonicContact NH1-OE1 3.73Å; R117-E171 IonicContact NH2-OE1 2.72Å; R117-E171 PolarHBondContact NH2-OE1 2.61Å |
| 118 | L | 87.8 | Confident | 93.9 | Very high | 74 Ų | 74 | 63.2 Ų | 63.2 | 39% | 0.387 | 32% | 0.324 | S | S | . | . | trans | -56.2 | -44.2 | -170.9 | -69.3 | 178.3 | 0 | 0 | 0 | 113.8 | F115 L120 W161 R162 | F115-L118 HydrophobicContact CB-CD2 4.07Å; F115-L118 HydrophobicContact CD1-CD2 3.96Å; F115-L118 VanDerWaalsContact O-CD2 3.25Å; F115-L118 WeakPolarHBondContact O-CD2 3.32Å; L118-L120 HydrophobicContact CB-CD2 4.24Å; L118-L120 HydrophobicContact CB-CG 4.23Å; L118-L120 HydrophobicContact CD1-CD2 4.45Å; L118-L120 PolarHBondContact O-N 2.69Å; L118-W161 HydrophobicContact CB-CZ2 4.02Å; L118-W161 HydrophobicContact CD2-CH2 3.9Å; L118-W161 HydrophobicContact CD2-CZ2 4.07Å; L118-W161 VanDerWaalsContact O-CE2 3.24Å; L118-W161 WeakPolarHBondContact O-CZ2 3.42Å; L118-W161 PolarHBondContact O-NE1 3.42Å; L118-R162 PolarHBondContact O-NH1 3.48Å; L118-R162 VanDerWaalsContact O-NH1 3.09Å | ||
| 119 | K | 89.2 | Confident | 93.7 | Very high | 115 Ų | 115 | 66.4 Ų | 66.4 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | trans | 48.5 | 59.1 | -174.9 | -65.5 | -74.5 | -172.9 | 176.7 | 0 | 111.4 | R117 V121 I122 W161 T168 | R117-K119 PolarHBondContact O-N 2.89Å; K119-V121 PolarHBondContact O-N 3.34Å; K119-I122 HydrophobicContact CB-CD1 4Å; K119-I122 HydrophobicContact CB-CG1 4.44Å; K119-I122 PolarHBondContact O-N 3.13Å; K119-W161 PolarHBondContact O-NE1 3.48Å; K119-T168 HydrophobicContact CD-CG2 4.11Å; K119-T168 HydrophobicContact CG-CG2 3.82Å; K119-T168 WeakPolarHBondContact CG-OG1 3.41Å | ||
| 120 | L | 93.3 | Very high | 93.5 | Very high | 81 Ų | 81 | 67.8 Ų | 67.8 | 42% | 0.424 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -55.7 | -24.7 | -176.9 | -65.7 | 173.9 | 0 | 0 | 0 | 113.6 | L118 I122 L123 F124 W161 | L118-L120 HydrophobicContact CB-CD2 4.24Å; L118-L120 HydrophobicContact CB-CG 4.23Å; L118-L120 HydrophobicContact CD1-CD2 4.45Å; L118-L120 PolarHBondContact O-N 2.69Å; L120-I122 PolarHBondContact O-N 2.87Å; L120-L123 HydrophobicContact CD2-CD2 4.41Å; L120-L123 WeakPolarHBondContact O-CA 3.3Å; L120-L123 WeakPolarHBondContact O-CB 3.45Å; L120-L123 PolarHBondContact O-N 3.02Å; L120-F124 HydrophobicContact CB-CD2 4.24Å; L120-F124 HydrophobicContact CB-CE2 3.97Å; L120-F124 WeakPolarHBondContact O-CD2 3.02Å; L120-F124 PolarHBondContact O-N 3.49Å; L120-W161 HydrophobicContact CD2-CH2 3.98Å; L120-W161 HydrophobicContact CD2-CZ2 3.73Å |
| 121 | V | 94.2 | Very high | 93.4 | Very high | 105 Ų | 105 | 72.7 Ų | 72.7 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -51.9 | -41.3 | 173.2 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | K119 L123 F124 I125 | K119-V121 PolarHBondContact O-N 3.34Å; V121-L123 PolarHBondContact O-N 2.83Å; V121-F124 PolarHBondContact O-N 3.48Å; V121-I125 HydrophobicContact CG1-CD1 4.15Å; V121-I125 WeakPolarHBondContact O-CG1 3.47Å; V121-I125 PolarHBondContact O-N 3.39Å; V121-I125 VanDerWaalsContact O-N 3.11Å |
| 122 | I | 93.4 | Very high | 93.2 | Very high | 35 Ų | 35 | 73.6 Ų | 73.6 | 18% | 0.179 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 177.7 | -60.9 | 170.5 | 0 | 0 | 0 | 110.3 | K119 L120 F124 I125 L126 L164 | K119-I122 HydrophobicContact CB-CD1 4Å; K119-I122 HydrophobicContact CB-CG1 4.44Å; K119-I122 PolarHBondContact O-N 3.13Å; L120-I122 PolarHBondContact O-N 2.87Å; I122-F124 PolarHBondContact O-N 3.09Å; I122-I125 PolarHBondContact O-N 2.99Å; I122-L126 HydrophobicContact CG2-CD1 4.02Å; I122-L126 HydrophobicContact CG2-CG 4.48Å; I122-L126 WeakPolarHBondContact O-CG 3.4Å; I122-L126 PolarHBondContact O-N 2.84Å; I122-L126 VanDerWaalsContact O-N 3.11Å; I122-L164 HydrophobicContact CD1-CB 4.29Å; I122-L164 HydrophobicContact CG2-CB 3.95Å; I122-L164 HydrophobicContact CG2-CD1 3.79Å |
| 123 | L | 95.2 | Very high | 93 | Very high | 28 Ų | 28 | 74.4 Ų | 74.4 | 15% | 0.147 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.9 | -178 | 61.7 | 0 | 0 | 0 | 111.4 | L120 V121 I125 L126 L127 I157 W161 | L120-L123 HydrophobicContact CD2-CD2 4.41Å; L120-L123 WeakPolarHBondContact O-CA 3.3Å; L120-L123 WeakPolarHBondContact O-CB 3.45Å; L120-L123 PolarHBondContact O-N 3.02Å; V121-L123 PolarHBondContact O-N 2.83Å; L123-I125 VanDerWaalsContact C-N 3.25Å; L123-I125 PolarHBondContact O-N 3.27Å; L123-L126 PolarHBondContact O-N 3.42Å; L123-L126 VanDerWaalsContact O-N 3.08Å; L123-L127 HydrophobicContact CD1-CG 4.28Å; L123-L127 HydrophobicContact CG-CD1 4.2Å; L123-L127 HydrophobicContact CG-CG 4.32Å; L123-L127 WeakPolarHBondContact O-CG 3.25Å; L123-L127 PolarHBondContact O-N 3.44Å; L123-I157 HydrophobicContact CD1-CG2 3.83Å; L123-W161 HydrophobicContact CB-CD2 3.83Å; L123-W161 HydrophobicContact CB-CE3 4.42Å; L123-W161 HydrophobicContact CB-CG 3.87Å; L123-W161 HydrophobicContact CD1-CB 4.15Å; L123-W161 HydrophobicContact CD1-CD2 4.05Å; L123-W161 HydrophobicContact CD1-CE3 4Å; L123-W161 HydrophobicContact CD1-CG 4.13Å; L123-W161 HydrophobicContact CD2-CD2 4.23Å; L123-W161 HydrophobicContact CD2-CE3 4Å; L123-W161 HydrophobicContact CD2-CH2 4.19Å; L123-W161 HydrophobicContact CD2-CZ2 4.43Å; L123-W161 HydrophobicContact CD2-CZ3 3.98Å; L123-W161 HydrophobicContact CG-CD2 4.26Å; L123-W161 HydrophobicContact CG-CE3 4.37Å |
| 124 | F | 95.4 | Very high | 92.9 | Very high | 135 Ų | 135 | 75.7 Ų | 75.7 | 59% | 0.592 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.5 | -25.8 | 177.8 | -71.2 | -59.3 | 0 | 0 | 0 | 113.5 | L120 V121 I122 L127 P128 | L120-F124 HydrophobicContact CB-CD2 4.24Å; L120-F124 HydrophobicContact CB-CE2 3.97Å; L120-F124 WeakPolarHBondContact O-CD2 3.02Å; L120-F124 PolarHBondContact O-N 3.49Å; V121-F124 PolarHBondContact O-N 3.48Å; I122-F124 PolarHBondContact O-N 3.09Å; F124-L127 HydrophobicContact CD1-CD1 4.33Å; F124-P128 WeakPolarHBondContact O-CD 3.46Å |
| 125 | I | 95.4 | Very high | 92.8 | Very high | 110 Ų | 110 | 79.4 Ų | 79.4 | 56% | 0.564 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -74.6 | -35.5 | 171.6 | -67.8 | 165 | 0 | 0 | 0 | 111.1 | V121 I122 L123 | V121-I125 HydrophobicContact CG1-CD1 4.15Å; V121-I125 WeakPolarHBondContact O-CG1 3.47Å; V121-I125 PolarHBondContact O-N 3.39Å; V121-I125 VanDerWaalsContact O-N 3.11Å; I122-I125 PolarHBondContact O-N 2.99Å; L123-I125 VanDerWaalsContact C-N 3.25Å; L123-I125 PolarHBondContact O-N 3.27Å |
| 126 | L | 95.7 | Very high | 92.6 | Very high | 15 Ų | 15 | 77 Ų | 77 | 8% | 0.079 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -80 | -33.2 | -177.1 | -67.7 | 173.5 | 0 | 0 | 0 | 113.4 | I122 L123 I129 L130 I157 V160 W161 L164 | I122-L126 HydrophobicContact CG2-CD1 4.02Å; I122-L126 HydrophobicContact CG2-CG 4.48Å; I122-L126 WeakPolarHBondContact O-CG 3.4Å; I122-L126 PolarHBondContact O-N 2.84Å; I122-L126 VanDerWaalsContact O-N 3.11Å; L123-L126 PolarHBondContact O-N 3.42Å; L123-L126 VanDerWaalsContact O-N 3.08Å; L126-I129 HydrophobicContact CD2-CD1 4.11Å; L126-I129 VanDerWaalsContact O-CB 3.29Å; L126-I129 WeakPolarHBondContact O-CB 3.28Å; L126-I129 PolarHBondContact O-N 3.12Å; L126-L130 PolarHBondContact O-N 3.23Å; L126-I157 HydrophobicContact CB-CD1 4.07Å; L126-I157 HydrophobicContact CB-CG2 3.86Å; L126-V160 HydrophobicContact CD1-CB 4.29Å; L126-V160 HydrophobicContact CD1-CG1 3.92Å; L126-V160 HydrophobicContact CD2-CG1 4.25Å; L126-W161 HydrophobicContact CD1-CB 3.87Å; L126-L164 HydrophobicContact CD1-CD1 4.31Å |
| 127 | L | 95.7 | Very high | 92.8 | Very high | 60 Ų | 60 | 70.1 Ų | 70.1 | 31% | 0.314 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.8 | -42.8 | -178.6 | -76.6 | 171.8 | 0 | 0 | 0 | 114.2 | L123 F124 I129 L130 L131 L154 I157 | L123-L127 HydrophobicContact CD1-CG 4.28Å; L123-L127 HydrophobicContact CG-CD1 4.2Å; L123-L127 HydrophobicContact CG-CG 4.32Å; L123-L127 WeakPolarHBondContact O-CG 3.25Å; L123-L127 PolarHBondContact O-N 3.44Å; F124-L127 HydrophobicContact CD1-CD1 4.33Å; L127-I129 PolarHBondContact O-N 3.49Å; L127-L130 WeakPolarHBondContact O-CB 3.44Å; L127-L130 PolarHBondContact O-N 3.5Å; L127-L131 PolarHBondContact O-N 3.06Å; L127-L131 VanDerWaalsContact O-N 3.09Å; L127-L154 HydrophobicContact CD2-CD1 4.34Å; L127-I157 HydrophobicContact CD2-CG2 4.41Å |
| 128 | P | 95.7 | Very high | 93.1 | Very high | 76 Ų | 76 | 73.9 Ų | 73.9 | 49% | 0.494 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59 | -31.4 | 172.8 | -26.8 | 34.9 | 0 | 0 | 0 | 113.8 | F124 L131 C132 | F124-P128 WeakPolarHBondContact O-CD 3.46Å; P128-L131 PolarHBondContact O-N 2.98Å; P128-C132 WeakPolarHBondContact O-CB 3.15Å; P128-C132 PolarHBondContact O-N 3.04Å |
| 129 | I | 94.7 | Very high | 93.1 | Very high | 84 Ų | 84 | 78 Ų | 78 | 43% | 0.431 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66 | -45.7 | 176.9 | -55.3 | 177.2 | 0 | 0 | 0 | 109.7 | L126 L127 L131 C132 V133 | L126-I129 HydrophobicContact CD2-CD1 4.11Å; L126-I129 VanDerWaalsContact O-CB 3.29Å; L126-I129 WeakPolarHBondContact O-CB 3.28Å; L126-I129 PolarHBondContact O-N 3.12Å; L127-I129 PolarHBondContact O-N 3.49Å; I129-L131 VanDerWaalsContact C-N 3.33Å; I129-L131 PolarHBondContact O-N 3.08Å; I129-C132 WeakPolarHBondContact O-CB 3.47Å; I129-C132 PolarHBondContact O-N 2.95Å; I129-V133 WeakPolarHBondContact O-CG2 3.5Å; I129-V133 PolarHBondContact O-N 3.26Å |
| 130 | L | 94.6 | Very high | 93 | Very high | 29 Ų | 29 | 73.7 Ų | 73.7 | 15% | 0.152 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59 | -45 | 175 | 174.6 | 61.7 | 0 | 0 | 0 | 112 | L126 L127 C132 V133 C134 L154 I157 | L126-L130 PolarHBondContact O-N 3.23Å; L127-L130 WeakPolarHBondContact O-CB 3.44Å; L127-L130 PolarHBondContact O-N 3.5Å; L130-C132 VanDerWaalsContact C-N 3.33Å; L130-C132 PolarHBondContact O-N 3.4Å; L130-V133 PolarHBondContact O-N 2.93Å; L130-C134 PolarHBondContact O-N 2.93Å; L130-C134 PolarHBondContact O-SG 3.4Å; L130-C134 VanDerWaalsContact O-SG 3.39Å; L130-L154 HydrophobicContact CD2-CB 4.32Å; L130-L154 HydrophobicContact CD2-CD1 4.45Å; L130-I157 HydrophobicContact CB-CD1 4.13Å; L130-I157 HydrophobicContact CB-CG1 3.81Å; L130-I157 HydrophobicContact CD2-CG1 4.07Å; L130-I157 HydrophobicContact CG-CG1 4.35Å |
| 131 | L | 94.6 | Very high | 92.7 | Very high | 118 Ų | 118 | 70.8 Ų | 70.8 | 62% | 0.618 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60 | -45.2 | 177.4 | -178.1 | 61.2 | 0 | 0 | 0 | 111.4 | L127 P128 I129 V133 C134 V135 | L127-L131 PolarHBondContact O-N 3.06Å; L127-L131 VanDerWaalsContact O-N 3.09Å; P128-L131 PolarHBondContact O-N 2.98Å; I129-L131 VanDerWaalsContact C-N 3.33Å; I129-L131 PolarHBondContact O-N 3.08Å; L131-V133 VanDerWaalsContact C-N 3.35Å; L131-V133 PolarHBondContact O-N 3.35Å; L131-C134 PolarHBondContact O-N 3.37Å; L131-V135 HydrophobicContact CD1-CG2 4.49Å; L131-V135 WeakPolarHBondContact O-CG2 3.24Å; L131-V135 PolarHBondContact O-N 2.88Å |
| 132 | C | 93.6 | Very high | 92.5 | Very high | 78 Ų | 78 | 71.3 Ų | 71.3 | 53% | 0.527 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 176.2 | -173.9 | 0 | 0 | 0 | 0 | 112.1 | P128 I129 L130 V135 S136 | P128-C132 WeakPolarHBondContact O-CB 3.15Å; P128-C132 PolarHBondContact O-N 3.04Å; I129-C132 WeakPolarHBondContact O-CB 3.47Å; I129-C132 PolarHBondContact O-N 2.95Å; L130-C132 VanDerWaalsContact C-N 3.33Å; L130-C132 PolarHBondContact O-N 3.4Å; C132-V135 PolarHBondContact O-N 3.07Å; C132-S136 WeakPolarHBondContact O-CB 3.02Å; C132-S136 PolarHBondContact O-N 3.5Å; C132-S136 PolarHBondContact O-OG 3.44Å |
| 133 | V | 92.1 | Very high | 92.4 | Very high | 28 Ų | 28 | 72.9 Ų | 72.9 | 17% | 0.17 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | I129 L130 L131 V135 S136 V137 T193 I197 | I129-V133 WeakPolarHBondContact O-CG2 3.5Å; I129-V133 PolarHBondContact O-N 3.26Å; L130-V133 PolarHBondContact O-N 2.93Å; L131-V133 VanDerWaalsContact C-N 3.35Å; L131-V133 PolarHBondContact O-N 3.35Å; V133-V135 VanDerWaalsContact C-N 3.3Å; V133-V135 PolarHBondContact O-N 2.89Å; V133-S136 WeakPolarHBondContact O-CB 3.47Å; V133-S136 PolarHBondContact O-N 3.3Å; V133-S136 VanDerWaalsContact O-N 3.09Å; V133-V137 WeakPolarHBondContact O-CG2 3.2Å; V133-V137 PolarHBondContact O-N 3.35Å; V133-V137 VanDerWaalsContact O-N 3.1Å; V133-T193 HydrophobicContact CG1-CG2 4.4Å; V133-T193 HydrophobicContact CG2-CG2 3.58Å; V133-I197 HydrophobicContact CG1-CG1 4.19Å |
| 134 | C | 92.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 77 Ų | 77 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.6 | -38.5 | 178.2 | -73 | 0 | 0 | 0 | 0 | 112.7 | L130 L131 R138 | L130-C134 PolarHBondContact O-N 2.93Å; L130-C134 PolarHBondContact O-SG 3.4Å; L130-C134 VanDerWaalsContact O-SG 3.39Å; L131-C134 PolarHBondContact O-N 3.37Å; C134-R138 PolarHBondContact O-N 3.42Å |
| 135 | V | 92.2 | Very high | 92 | Very high | 97 Ų | 97 | 72.1 Ų | 72.1 | 59% | 0.588 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.8 | -43.7 | 174 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | L131 C132 V133 V137 R138 | L131-V135 HydrophobicContact CD1-CG2 4.49Å; L131-V135 WeakPolarHBondContact O-CG2 3.24Å; L131-V135 PolarHBondContact O-N 2.88Å; C132-V135 PolarHBondContact O-N 3.07Å; V133-V135 VanDerWaalsContact C-N 3.3Å; V133-V135 PolarHBondContact O-N 2.89Å; V135-V137 VanDerWaalsContact C-N 3.26Å; V135-V137 PolarHBondContact O-N 3.09Å; V135-R138 VanDerWaalsContact O-CB 3.29Å; V135-R138 WeakPolarHBondContact O-CB 3.45Å; V135-R138 PolarHBondContact O-N 3.25Å |
| 136 | S | 89.3 | Confident | 91.8 | Very high | 63 Ų | 63 | 70.7 Ų | 70.7 | 44% | 0.441 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.7 | -25.6 | -177.3 | -57.4 | 0 | 0 | 0 | 0 | 114 | C132 V133 | C132-S136 WeakPolarHBondContact O-CB 3.02Å; C132-S136 PolarHBondContact O-N 3.5Å; C132-S136 PolarHBondContact O-OG 3.44Å; V133-S136 WeakPolarHBondContact O-CB 3.47Å; V133-S136 PolarHBondContact O-N 3.3Å; V133-S136 VanDerWaalsContact O-N 3.09Å |
| 137 | V | 90.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 76.2 Ų | 76.2 | 1% | 0.012 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 4 | 179.3 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | V133 V135 E139 G140 L141 I197 F200 | V133-V137 WeakPolarHBondContact O-CG2 3.2Å; V133-V137 PolarHBondContact O-N 3.35Å; V133-V137 VanDerWaalsContact O-N 3.1Å; V135-V137 VanDerWaalsContact C-N 3.26Å; V135-V137 PolarHBondContact O-N 3.09Å; V137-E139 PolarHBondContact O-N 2.92Å; V137-E139 VanDerWaalsContact O-N 3.11Å; V137-G140 PolarHBondContact O-N 3.28Å; V137-L141 HydrophobicContact CG2-CD1 4.14Å; V137-L141 HydrophobicContact CG2-CD2 4.13Å; V137-L141 HydrophobicContact CG2-CG 4.14Å; V137-L141 WeakPolarHBondContact O-CG 3.43Å; V137-L141 PolarHBondContact O-N 3.45Å; V137-I197 HydrophobicContact CG1-CB 4.2Å; V137-I197 HydrophobicContact CG1-CG1 4.13Å; V137-I197 HydrophobicContact CG1-CG2 4.03Å; V137-F200 HydrophobicContact CB-CB 3.74Å; V137-F200 HydrophobicContact CG1-CB 4.15Å; V137-F200 HydrophobicContact CG2-CB 4.43Å |
| 138 | R | 90.7 | Very high | 91.5 | Very high | 192 Ų | 192 | 75.2 Ų | 75.2 | 73% | 0.725 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -54.1 | -37.1 | -170.4 | -177.6 | 178.3 | 179.8 | -121 | 0.4 | 113.2 | C134 V135 G140 L141 | C134-R138 PolarHBondContact O-N 3.42Å; V135-R138 VanDerWaalsContact O-CB 3.29Å; V135-R138 WeakPolarHBondContact O-CB 3.45Å; V135-R138 PolarHBondContact O-N 3.25Å; R138-G140 VanDerWaalsContact C-N 3.31Å; R138-G140 PolarHBondContact O-N 3.34Å; R138-L141 PolarHBondContact O-N 2.98Å |
| 139 | E | 87.5 | Confident | 91.4 | Very high | 161 Ų | 161 | 72.5 Ų | 72.5 | 75% | 0.752 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -67.2 | -29.6 | -178.5 | -61.6 | -176.8 | 172.3 | 0 | 0 | 113.2 | V137 | V137-E139 PolarHBondContact O-N 2.92Å; V137-E139 VanDerWaalsContact O-N 3.11Å |
| 140 | G | 86.5 | Confident | 91.4 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 24% | 0.237 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -86.2 | -8.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V137 R138 N142 F200 | V137-G140 PolarHBondContact O-N 3.28Å; R138-G140 VanDerWaalsContact C-N 3.31Å; R138-G140 PolarHBondContact O-N 3.34Å; G140-N142 PolarHBondContact O-N 3.36Å; G140-F200 VanDerWaalsContact CA-O 3.3Å; G140-F200 WeakPolarHBondContact CA-O 3.3Å; G140-F200 PolarHBondContact N-O 3.23Å |
| 141 | L | 88.1 | Confident | 91.5 | Very high | 21 Ų | 21 | 71.6 Ų | 71.6 | 11% | 0.11 | 41% | 0.412 | C | S | . | . | trans | -83.6 | 101 | 179.5 | -59.2 | -173 | 0 | 0 | 0 | 110.7 | V137 R138 N145 T146 I149 F200 | V137-L141 HydrophobicContact CG2-CD1 4.14Å; V137-L141 HydrophobicContact CG2-CD2 4.13Å; V137-L141 HydrophobicContact CG2-CG 4.14Å; V137-L141 WeakPolarHBondContact O-CG 3.43Å; V137-L141 PolarHBondContact O-N 3.45Å; R138-L141 PolarHBondContact O-N 2.98Å; L141-N145 HydrophobicContact CD2-CB 4.45Å; L141-T146 PolarHBondContact O-OG1 2.89Å; L141-I149 HydrophobicContact CD2-CB 3.83Å; L141-I149 HydrophobicContact CD2-CG1 3.59Å; L141-I149 HydrophobicContact CD2-CG2 4.1Å; L141-F200 HydrophobicContact CD2-CB 4.46Å; L141-F200 HydrophobicContact CD2-CD1 4.27Å; L141-F200 HydrophobicContact CD2-CG 4.26Å | ||
| 142 | N | 89.1 | Confident | 91.6 | Very high | 115 Ų | 115 | 67.5 Ų | 67.5 | 62% | 0.615 | 39% | 0.388 | S | S | * | . | trans | -122.5 | 147.7 | 176 | -67.3 | -60.4 | 0 | 0 | 0 | 111.7 | G140 I144 N145 | G140-N142 PolarHBondContact O-N 3.36Å; N142-I144 PolarHBondContact O-N 3.35Å; N142-N145 WeakPolarHBondContact O-CB 3.34Å; N142-N145 PolarHBondContact O-N 3.37Å | ||
| 143 | G | 91.8 | Very high | 91.8 | Very high | 68 Ų | 68 | 64.2 Ų | 64.2 | 70% | 0.701 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | -127 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | N145 T146 | G143-N145 PolarHBondContact O-N 3.1Å; G143-T146 PolarHBondContact O-N 2.94Å; G143-T146 PolarHBondContact O-OG1 3.41Å |
| 144 | I | 91.4 | Very high | 92 | Very high | 114 Ų | 114 | 66.8 Ų | 66.8 | 59% | 0.585 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.3 | -177.7 | -164.2 | 165.3 | 0 | 0 | 0 | 113.3 | I96 N142 T146 L147 V148 | I96-I144 HydrophobicContact CD1-CG2 3.96Å; N142-I144 PolarHBondContact O-N 3.35Å; I144-T146 PolarHBondContact O-N 3.16Å; I144-L147 PolarHBondContact O-N 3.32Å; I144-L147 VanDerWaalsContact O-N 3.12Å; I144-V148 HydrophobicContact CG1-CG2 3.88Å; I144-V148 WeakPolarHBondContact O-CG2 3.49Å; I144-V148 PolarHBondContact O-N 3.26Å |
| 145 | N | 89.9 | Confident | 92.3 | Very high | 34 Ų | 34 | 67.6 Ų | 67.6 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.2 | -27.2 | -178.4 | -65.8 | -19.2 | 0 | 0 | 0 | 112.3 | L141 N142 G143 L147 V148 I149 | L141-N145 HydrophobicContact CD2-CB 4.45Å; N142-N145 WeakPolarHBondContact O-CB 3.34Å; N142-N145 PolarHBondContact O-N 3.37Å; G143-N145 PolarHBondContact O-N 3.1Å; N145-L147 PolarHBondContact O-N 3.31Å; N145-V148 PolarHBondContact O-N 2.87Å; N145-I149 HydrophobicContact CB-CG1 4.11Å; N145-I149 WeakPolarHBondContact O-CB 3.23Å; N145-I149 VanDerWaalsContact O-CG1 3.29Å; N145-I149 WeakPolarHBondContact O-CG1 3.25Å; N145-I149 PolarHBondContact O-N 3.35Å |
| 146 | T | 91.8 | Very high | 92.6 | Very high | 79 Ų | 79 | 63.5 Ų | 63.5 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.9 | -24.7 | 175.6 | -50.8 | 0 | 0 | 0 | 0 | 112.6 | L141 G143 I144 P150 | L141-T146 PolarHBondContact O-OG1 2.89Å; G143-T146 PolarHBondContact O-N 2.94Å; G143-T146 PolarHBondContact O-OG1 3.41Å; I144-T146 PolarHBondContact O-N 3.16Å; T146-P150 VanDerWaalsContact O-CD 3.3Å; T146-P150 WeakPolarHBondContact O-CD 3.11Å; T146-P150 WeakPolarHBondContact O-CG 3.39Å |
| 147 | L | 92.9 | Very high | 93 | Very high | 131 Ų | 131 | 61.2 Ų | 61.2 | 69% | 0.686 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -98.4 | -44.6 | 174.1 | -176.3 | 63.9 | 0 | 0 | 0 | 112.1 | I144 N145 A151 | I144-L147 PolarHBondContact O-N 3.32Å; I144-L147 VanDerWaalsContact O-N 3.12Å; N145-L147 PolarHBondContact O-N 3.31Å; L147-A151 VanDerWaalsContact O-CB 3.29Å; L147-A151 WeakPolarHBondContact O-CB 3.41Å; L147-A151 PolarHBondContact O-N 3.35Å |
| 148 | V | 93.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 63.2 Ų | 63.2 | 24% | 0.242 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.5 | -42.8 | -174 | 172.8 | 0 | 0 | 0 | 0 | 112 | M99 I144 N145 A151 Y152 | M99-V148 HydrophobicContact CE-CG1 4.23Å; I144-V148 HydrophobicContact CG1-CG2 3.88Å; I144-V148 WeakPolarHBondContact O-CG2 3.49Å; I144-V148 PolarHBondContact O-N 3.26Å; N145-V148 PolarHBondContact O-N 2.87Å; V148-A151 PolarHBondContact O-N 3.22Å; V148-Y152 VanDerWaalsContact O-CB 3.3Å; V148-Y152 WeakPolarHBondContact O-CB 3.26Å; V148-Y152 PolarHBondContact O-N 3.33Å |
| 149 | I | 92.5 | Very high | 93.7 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.6 | -48 | -175.5 | -55.2 | -52.2 | 0 | 0 | 0 | 112 | M99 L141 N145 A151 Y152 G153 F200 | M99-I149 HydrophobicContact CE-CD1 3.37Å; M99-I149 HydrophobicContact SD-CD1 3.79Å; L141-I149 HydrophobicContact CD2-CB 3.83Å; L141-I149 HydrophobicContact CD2-CG1 3.59Å; L141-I149 HydrophobicContact CD2-CG2 4.1Å; N145-I149 HydrophobicContact CB-CG1 4.11Å; N145-I149 WeakPolarHBondContact O-CB 3.23Å; N145-I149 VanDerWaalsContact O-CG1 3.29Å; N145-I149 WeakPolarHBondContact O-CG1 3.25Å; N145-I149 PolarHBondContact O-N 3.35Å; I149-A151 VanDerWaalsContact C-N 3.34Å; I149-A151 PolarHBondContact O-N 2.92Å; I149-Y152 PolarHBondContact O-N 3.05Å; I149-G153 PolarHBondContact O-N 2.85Å; I149-F200 HydrophobicContact CD1-CD2 4.27Å; I149-F200 HydrophobicContact CD1-CE1 4.4Å; I149-F200 HydrophobicContact CD1-CE2 3.41Å; I149-F200 VanDerWaalsContact CD1-CE2 3.41Å; I149-F200 HydrophobicContact CD1-CZ 3.49Å; I149-F200 VanDerWaalsContact CD1-CZ 3.49Å; I149-F200 HydrophobicContact CG1-CD2 4.41Å; I149-F200 HydrophobicContact CG1-CE1 4.49Å; I149-F200 HydrophobicContact CG1-CE2 3.96Å; I149-F200 HydrophobicContact CG1-CZ 4.01Å |
| 150 | P | 94.6 | Very high | 94.2 | Very high | 45 Ų | 45 | 46.7 Ų | 46.7 | 29% | 0.292 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.9 | -38 | 174.5 | -25.5 | 37 | 0 | 0 | 0 | 113.4 | T146 G153 L154 | T146-P150 VanDerWaalsContact O-CD 3.3Å; T146-P150 WeakPolarHBondContact O-CD 3.11Å; T146-P150 WeakPolarHBondContact O-CG 3.39Å; P150-G153 PolarHBondContact O-N 3.43Å; P150-L154 WeakPolarHBondContact O-CB 3.48Å; P150-L154 PolarHBondContact O-N 3.44Å |
| 151 | A | 96.4 | Very high | 94.8 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 41% | 0.405 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L147 V148 I149 L154 I155 | L147-A151 VanDerWaalsContact O-CB 3.29Å; L147-A151 WeakPolarHBondContact O-CB 3.41Å; L147-A151 PolarHBondContact O-N 3.35Å; V148-A151 PolarHBondContact O-N 3.22Å; I149-A151 VanDerWaalsContact C-N 3.34Å; I149-A151 PolarHBondContact O-N 2.92Å; A151-L154 PolarHBondContact O-N 3.31Å; A151-I155 WeakPolarHBondContact O-CG1 3.26Å; A151-I155 PolarHBondContact O-N 3.43Å |
| 152 | Y | 97.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 12% | 0.122 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 173.2 | -178.7 | -87.5 | 0 | 0 | 0 | 111.5 | M99 F102 A103 H106 V148 I149 L154 I155 L156 D192 | M99-Y152 HydrophobicContact CB-CD2 4.38Å; M99-Y152 HydrophobicContact CB-CE2 4.44Å; M99-Y152 HydrophobicContact CE-CD1 4.21Å; M99-Y152 HydrophobicContact CE-CD2 3.91Å; M99-Y152 HydrophobicContact CE-CG 3.74Å; M99-Y152 WeakPolarHBondContact O-CE2 3.29Å; F102-Y152 HydrophobicContact CB-CE2 3.93Å; F102-Y152 VanDerWaalsContact CB-OH 3.29Å; F102-Y152 WeakPolarHBondContact CB-OH 3.5Å; A103-Y152 HydrophobicContact CB-CD2 4.13Å; A103-Y152 HydrophobicContact CB-CE2 4.3Å; H106-Y152 AromaticContact CD2-CZ 3.95Å; H106-Y152 AromaticContact NE2-CZ 3.74Å; H106-Y152 PolarHBondContact NE2-OH 3.39Å; H106-Y152 VanDerWaalsContact NE2-OH 3.12Å; V148-Y152 VanDerWaalsContact O-CB 3.3Å; V148-Y152 WeakPolarHBondContact O-CB 3.26Å; V148-Y152 PolarHBondContact O-N 3.33Å; I149-Y152 PolarHBondContact O-N 3.05Å; Y152-L154 VanDerWaalsContact C-N 3.29Å; Y152-L154 PolarHBondContact O-N 3.44Å; Y152-I155 PolarHBondContact O-N 3.14Å; Y152-I155 VanDerWaalsContact O-N 3.16Å; Y152-L156 PolarHBondContact O-N 3.27Å; Y152-D192 HydrophobicContact CE1-CB 4.47Å; Y152-D192 PolarHBondContact OH-OD2 3.42Å |
| 153 | G | 97.2 | Very high | 95.6 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 9% | 0.093 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.1 | -37 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I149 P150 L156 I157 | I149-G153 PolarHBondContact O-N 2.85Å; P150-G153 PolarHBondContact O-N 3.43Å; G153-L156 WeakPolarHBondContact O-CB 3.42Å; G153-L156 PolarHBondContact O-N 2.91Å; G153-I157 VanDerWaalsContact O-CG1 3.28Å; G153-I157 WeakPolarHBondContact O-CG1 3.23Å; G153-I157 PolarHBondContact O-N 3.09Å |
| 154 | L | 97.7 | Very high | 95.8 | Very high | 82 Ų | 82 | 38.4 Ų | 38.4 | 43% | 0.429 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.4 | -45.1 | 174.6 | -176.9 | 61.5 | 0 | 0 | 0 | 111.9 | L127 L130 P150 A151 Y152 L156 I157 I158 | L127-L154 HydrophobicContact CD2-CD1 4.34Å; L130-L154 HydrophobicContact CD2-CB 4.32Å; L130-L154 HydrophobicContact CD2-CD1 4.45Å; P150-L154 WeakPolarHBondContact O-CB 3.48Å; P150-L154 PolarHBondContact O-N 3.44Å; A151-L154 PolarHBondContact O-N 3.31Å; Y152-L154 VanDerWaalsContact C-N 3.29Å; Y152-L154 PolarHBondContact O-N 3.44Å; L154-L156 VanDerWaalsContact C-N 3.31Å; L154-L156 PolarHBondContact O-N 2.54Å; L154-I157 PolarHBondContact O-N 2.99Å; L154-I158 HydrophobicContact CD1-CD1 4.35Å; L154-I158 HydrophobicContact CG-CD1 4.1Å; L154-I158 VanDerWaalsContact O-CG1 3.26Å; L154-I158 WeakPolarHBondContact O-CG1 3.43Å; L154-I158 PolarHBondContact O-N 3.12Å |
| 155 | I | 98.2 | Very high | 96 | Very high | 45 Ų | 45 | 33 Ų | 33 | 23% | 0.231 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 175.1 | -65.2 | 168.7 | 0 | 0 | 0 | 110.1 | A103 H106 I107 I110 A151 Y152 I158 M159 | A103-I155 HydrophobicContact CB-CD1 4.2Å; H106-I155 HydrophobicContact CB-CG2 3.6Å; I107-I155 HydrophobicContact CD1-CD1 4.47Å; I107-I155 HydrophobicContact CG1-CG2 4.03Å; I110-I155 HydrophobicContact CD1-CG2 4.23Å; A151-I155 WeakPolarHBondContact O-CG1 3.26Å; A151-I155 PolarHBondContact O-N 3.43Å; Y152-I155 PolarHBondContact O-N 3.14Å; Y152-I155 VanDerWaalsContact O-N 3.16Å; I155-I158 PolarHBondContact O-N 2.92Å; I155-M159 PolarHBondContact O-N 3.43Å |
| 156 | L | 98.1 | Very high | 96.1 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.052 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.7 | -47.3 | 178 | -177.3 | 70 | 0 | 0 | 0 | 111.9 | H106 Y152 G153 L154 I158 M159 V160 D192 | H106-L156 VanDerWaalsContact CE1-CD1 3.5Å; H106-L156 WeakPolarHBondContact CE1-CD1 3.4Å; H106-L156 WeakPolarHBondContact NE2-CD1 3.49Å; Y152-L156 PolarHBondContact O-N 3.27Å; G153-L156 WeakPolarHBondContact O-CB 3.42Å; G153-L156 PolarHBondContact O-N 2.91Å; L154-L156 VanDerWaalsContact C-N 3.31Å; L154-L156 PolarHBondContact O-N 2.54Å; L156-I158 VanDerWaalsContact C-N 3.32Å; L156-I158 PolarHBondContact O-N 3.2Å; L156-M159 HydrophobicContact CD1-CE 3.91Å; L156-M159 WeakPolarHBondContact O-CB 3.5Å; L156-M159 PolarHBondContact O-N 2.98Å; L156-M159 VanDerWaalsContact O-N 3.13Å; L156-V160 WeakPolarHBondContact O-CG2 3.3Å; L156-V160 PolarHBondContact O-N 3.44Å; L156-D192 HydrophobicContact CD1-CB 4.05Å; L156-D192 HydrophobicContact CD2-CB 3.55Å; L156-D192 HydrophobicContact CG-CB 4.47Å |
| 157 | I | 97.9 | Very high | 96.1 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 8% | 0.082 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | 177.5 | -70.9 | -70.2 | 0 | 0 | 0 | 111.6 | L123 L126 L127 L130 G153 L154 M159 V160 W161 | L123-I157 HydrophobicContact CD1-CG2 3.83Å; L126-I157 HydrophobicContact CB-CD1 4.07Å; L126-I157 HydrophobicContact CB-CG2 3.86Å; L127-I157 HydrophobicContact CD2-CG2 4.41Å; L130-I157 HydrophobicContact CB-CD1 4.13Å; L130-I157 HydrophobicContact CB-CG1 3.81Å; L130-I157 HydrophobicContact CD2-CG1 4.07Å; L130-I157 HydrophobicContact CG-CG1 4.35Å; G153-I157 VanDerWaalsContact O-CG1 3.28Å; G153-I157 WeakPolarHBondContact O-CG1 3.23Å; G153-I157 PolarHBondContact O-N 3.09Å; L154-I157 PolarHBondContact O-N 2.99Å; I157-M159 VanDerWaalsContact C-N 3.3Å; I157-M159 PolarHBondContact O-N 3.45Å; I157-V160 PolarHBondContact O-N 2.96Å; I157-W161 VanDerWaalsContact O-CB 3.23Å; I157-W161 WeakPolarHBondContact O-CB 3.33Å; I157-W161 PolarHBondContact O-N 3.34Å |
| 158 | I | 98 | Very high | 96 | Very high | 44 Ų | 44 | 26.1 Ų | 26.1 | 23% | 0.226 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 175.6 | -65.9 | 165.5 | 0 | 0 | 0 | 109.6 | I110 L154 I155 L156 W161 R162 | I110-I158 HydrophobicContact CD1-CB 3.97Å; I110-I158 HydrophobicContact CD1-CG2 3.64Å; I110-I158 HydrophobicContact CG1-CG2 4Å; I110-I158 HydrophobicContact CG2-CG2 4.19Å; L154-I158 HydrophobicContact CD1-CD1 4.35Å; L154-I158 HydrophobicContact CG-CD1 4.1Å; L154-I158 VanDerWaalsContact O-CG1 3.26Å; L154-I158 WeakPolarHBondContact O-CG1 3.43Å; L154-I158 PolarHBondContact O-N 3.12Å; I155-I158 PolarHBondContact O-N 2.92Å; L156-I158 VanDerWaalsContact C-N 3.32Å; L156-I158 PolarHBondContact O-N 3.2Å; I158-W161 HydrophobicContact CG2-CE3 4.18Å; I158-W161 HydrophobicContact CG2-CZ3 4.47Å; I158-W161 PolarHBondContact O-N 2.05Å; I158-R162 HydrophobicContact CG2-CG 4.28Å; I158-R162 VanDerWaalsContact O-CG 3.27Å; I158-R162 WeakPolarHBondContact O-CG 3.44Å; I158-R162 PolarHBondContact O-N 3.16Å |
| 159 | M | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.6 | -51.1 | 175.8 | -175.2 | -77.6 | -74.4 | 0 | 0 | 111.8 | H106 I110 F113 I155 L156 I157 W161 R162 A163 F188 | H106-M159 HydrophobicContact CB-CB 4.11Å; H106-M159 HydrophobicContact CB-CG 4.26Å; I110-M159 HydrophobicContact CD1-CB 4.04Å; I110-M159 VanDerWaalsContact CG1-CA 3.47Å; I110-M159 HydrophobicContact CG1-CB 3.75Å; I110-M159 HydrophobicContact CG1-CG 4.31Å; F113-M159 HydrophobicContact CE2-CG 4.38Å; F113-M159 HydrophobicContact CE2-SD 4.13Å; I155-M159 PolarHBondContact O-N 3.43Å; L156-M159 HydrophobicContact CD1-CE 3.91Å; L156-M159 WeakPolarHBondContact O-CB 3.5Å; L156-M159 PolarHBondContact O-N 2.98Å; L156-M159 VanDerWaalsContact O-N 3.13Å; I157-M159 VanDerWaalsContact C-N 3.3Å; I157-M159 PolarHBondContact O-N 3.45Å; M159-W161 VanDerWaalsContact C-N 3.33Å; M159-W161 PolarHBondContact O-N 3.34Å; M159-R162 PolarHBondContact O-N 3.43Å; M159-A163 WeakPolarHBondContact O-CB 3.5Å; M159-A163 PolarHBondContact O-N 2.93Å; M159-F188 HydrophobicContact CE-CB 3.97Å; M159-F188 HydrophobicContact CE-CD2 4.23Å; M159-F188 HydrophobicContact CE-CG 4.1Å |
| 160 | V | 98.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 29.9 Ų | 29.9 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.8 | -44 | 177.8 | 177 | 0 | 0 | 0 | 0 | 110.9 | L126 L156 I157 R162 A163 L164 L186 | L126-V160 HydrophobicContact CD1-CB 4.29Å; L126-V160 HydrophobicContact CD1-CG1 3.92Å; L126-V160 HydrophobicContact CD2-CG1 4.25Å; L156-V160 WeakPolarHBondContact O-CG2 3.3Å; L156-V160 PolarHBondContact O-N 3.44Å; I157-V160 PolarHBondContact O-N 2.96Å; V160-R162 PolarHBondContact O-N 2.79Å; V160-A163 WeakPolarHBondContact O-CB 3.44Å; V160-A163 PolarHBondContact O-N 2.85Å; V160-L164 HydrophobicContact CG1-CD1 4.07Å; V160-L164 HydrophobicContact CG1-CG 4.43Å; V160-L164 WeakPolarHBondContact O-CG 3.43Å; V160-L164 PolarHBondContact O-N 2.8Å; V160-L186 HydrophobicContact CG1-CD1 4.25Å |
| 161 | W | 98 | Very high | 93.8 | Very high | 16 Ų | 16 | 34.5 Ų | 34.5 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.7 | -48.6 | 175.9 | 166.7 | 43.5 | 0 | 0 | 0 | 111.7 | F115 L118 K119 L120 L123 L126 I157 I158 M159 A163 L164 A165 | F115-W161 HydrophobicContact CE1-CZ3 4.2Å; L118-W161 HydrophobicContact CB-CZ2 4.02Å; L118-W161 HydrophobicContact CD2-CH2 3.9Å; L118-W161 HydrophobicContact CD2-CZ2 4.07Å; L118-W161 VanDerWaalsContact O-CE2 3.24Å; L118-W161 WeakPolarHBondContact O-CZ2 3.42Å; L118-W161 PolarHBondContact O-NE1 3.42Å; K119-W161 PolarHBondContact O-NE1 3.48Å; L120-W161 HydrophobicContact CD2-CH2 3.98Å; L120-W161 HydrophobicContact CD2-CZ2 3.73Å; L123-W161 HydrophobicContact CB-CD2 3.83Å; L123-W161 HydrophobicContact CB-CE3 4.42Å; L123-W161 HydrophobicContact CB-CG 3.87Å; L123-W161 HydrophobicContact CD1-CB 4.15Å; L123-W161 HydrophobicContact CD1-CD2 4.05Å; L123-W161 HydrophobicContact CD1-CE3 4Å; L123-W161 HydrophobicContact CD1-CG 4.13Å; L123-W161 HydrophobicContact CD2-CD2 4.23Å; L123-W161 HydrophobicContact CD2-CE3 4Å; L123-W161 HydrophobicContact CD2-CH2 4.19Å; L123-W161 HydrophobicContact CD2-CZ2 4.43Å; L123-W161 HydrophobicContact CD2-CZ3 3.98Å; L123-W161 HydrophobicContact CG-CD2 4.26Å; L123-W161 HydrophobicContact CG-CE3 4.37Å; L126-W161 HydrophobicContact CD1-CB 3.87Å; I157-W161 VanDerWaalsContact O-CB 3.23Å; I157-W161 WeakPolarHBondContact O-CB 3.33Å; I157-W161 PolarHBondContact O-N 3.34Å; I158-W161 HydrophobicContact CG2-CE3 4.18Å; I158-W161 HydrophobicContact CG2-CZ3 4.47Å; I158-W161 PolarHBondContact O-N 2.05Å; M159-W161 VanDerWaalsContact C-N 3.33Å; M159-W161 PolarHBondContact O-N 3.34Å; W161-A163 VanDerWaalsContact C-N 3.3Å; W161-A163 PolarHBondContact O-N 3.34Å; W161-L164 PolarHBondContact O-N 2.85Å; W161-A165 WeakPolarHBondContact O-CB 3.06Å; W161-A165 PolarHBondContact O-N 3.47Å |
| 162 | R | 97.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -36 | 179.1 | -64.6 | -36.2 | -60.7 | 148.8 | 7.8 | 111.7 | I110 F113 G114 F115 Q116 L118 I158 M159 V160 A165 Q166 | I110-R162 HydrophobicContact CG2-CG 4.16Å; F113-R162 HydrophobicContact CB-CB 3.84Å; F113-R162 HydrophobicContact CD2-CB 4.09Å; F113-R162 HydrophobicContact CG-CB 4.47Å; G114-R162 PolarHBondContact O-NE 3.4Å; G114-R162 PolarHBondContact O-NH2 3.2Å; F115-R162 HydrophobicContact CE1-CG 4.26Å; Q116-R162 PolarHBondContact O-NH2 2.86Å; Q116-R162 VanDerWaalsContact O-NH2 3.07Å; L118-R162 PolarHBondContact O-NH1 3.48Å; L118-R162 VanDerWaalsContact O-NH1 3.09Å; I158-R162 HydrophobicContact CG2-CG 4.28Å; I158-R162 VanDerWaalsContact O-CG 3.27Å; I158-R162 WeakPolarHBondContact O-CG 3.44Å; I158-R162 PolarHBondContact O-N 3.16Å; M159-R162 PolarHBondContact O-N 3.43Å; V160-R162 PolarHBondContact O-N 2.79Å; R162-A165 PolarHBondContact O-N 3.27Å; R162-Q166 PolarHBondContact O-N 3.5Å |
| 163 | A | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F113 M159 V160 W161 A165 Q166 A182 | F113-A163 HydrophobicContact CD2-CB 3.97Å; F113-A163 HydrophobicContact CE2-CB 3.64Å; F113-A163 HydrophobicContact CZ-CB 4.19Å; M159-A163 WeakPolarHBondContact O-CB 3.5Å; M159-A163 PolarHBondContact O-N 2.93Å; V160-A163 WeakPolarHBondContact O-CB 3.44Å; V160-A163 PolarHBondContact O-N 2.85Å; W161-A163 VanDerWaalsContact C-N 3.3Å; W161-A163 PolarHBondContact O-N 3.34Å; A163-A165 PolarHBondContact O-N 2.97Å; A163-Q166 WeakPolarHBondContact O-CB 3.49Å; A163-Q166 WeakPolarHBondContact O-CG 3.5Å; A163-Q166 PolarHBondContact O-N 2.85Å; A163-A182 WeakPolarHBondContact O-CA 3.45Å; A163-A182 WeakPolarHBondContact O-CB 3.25Å |
| 164 | L | 96.7 | Very high | 91.2 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.188 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.4 | -34.5 | 177.9 | -69.2 | 175.4 | 0 | 0 | 0 | 112.5 | I122 L126 V160 W161 Q166 L167 A182 | I122-L164 HydrophobicContact CD1-CB 4.29Å; I122-L164 HydrophobicContact CG2-CB 3.95Å; I122-L164 HydrophobicContact CG2-CD1 3.79Å; L126-L164 HydrophobicContact CD1-CD1 4.31Å; V160-L164 HydrophobicContact CG1-CD1 4.07Å; V160-L164 HydrophobicContact CG1-CG 4.43Å; V160-L164 WeakPolarHBondContact O-CG 3.43Å; V160-L164 PolarHBondContact O-N 2.8Å; W161-L164 PolarHBondContact O-N 2.85Å; L164-Q166 PolarHBondContact O-N 3.46Å; L164-Q166 VanDerWaalsContact O-N 3.15Å; L164-L167 WeakPolarHBondContact O-CB 3.45Å; L164-L167 PolarHBondContact O-N 3.16Å; L164-L167 VanDerWaalsContact O-N 3.14Å; L164-A182 HydrophobicContact CD2-CB 4.34Å |
| 165 | A | 94.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.2 | -22.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | W161 R162 A163 L167 T168 | W161-A165 WeakPolarHBondContact O-CB 3.06Å; W161-A165 PolarHBondContact O-N 3.47Å; R162-A165 PolarHBondContact O-N 3.27Å; A163-A165 PolarHBondContact O-N 2.97Å; A165-L167 PolarHBondContact O-N 3.48Å; A165-T168 PolarHBondContact O-N 3.33Å; A165-T168 PolarHBondContact O-OG1 3.15Å |
| 166 | Q | 91.9 | Very high | 90.1 | Very high | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -54.7 | -34.2 | 174.2 | -59.7 | -71.8 | 81.8 | 0 | 0 | 112.3 | F113 R162 A163 L164 T168 K169 C178 | F113-Q166 HydrophobicContact CB-CG 4.44Å; F113-Q166 HydrophobicContact CD1-CG 4.24Å; F113-Q166 HydrophobicContact CG-CG 4.42Å; F113-Q166 PolarHBondContact O-OE1 3.39Å; R162-Q166 PolarHBondContact O-N 3.5Å; A163-Q166 WeakPolarHBondContact O-CB 3.49Å; A163-Q166 WeakPolarHBondContact O-CG 3.5Å; A163-Q166 PolarHBondContact O-N 2.85Å; L164-Q166 PolarHBondContact O-N 3.46Å; L164-Q166 VanDerWaalsContact O-N 3.15Å; Q166-T168 PolarHBondContact O-N 3.34Å; Q166-T168 VanDerWaalsContact O-N 3.09Å; Q166-K169 WeakPolarHBondContact O-CB 3.32Å; Q166-K169 PolarHBondContact O-N 2.66Å; Q166-C178 HydrophobicContact CB-CB 4.19Å |
| 167 | L | 92.3 | Very high | 89.7 | Confident | 60 Ų | 60 | 48 Ų | 48 | 31% | 0.314 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -64.5 | -13.4 | 179.3 | -61.1 | 177.4 | 0 | 0 | 0 | 113.3 | L164 A165 I174 I179 A182 | L164-L167 WeakPolarHBondContact O-CB 3.45Å; L164-L167 PolarHBondContact O-N 3.16Å; L164-L167 VanDerWaalsContact O-N 3.14Å; A165-L167 PolarHBondContact O-N 3.48Å; L167-I174 HydrophobicContact CB-CD1 4.39Å; L167-I174 HydrophobicContact CD2-CG2 3.92Å; L167-I174 WeakPolarHBondContact O-CD1 3.43Å; L167-I174 WeakPolarHBondContact O-CG1 3.35Å; L167-I179 HydrophobicContact CD2-CB 4.41Å; L167-I179 HydrophobicContact CD2-CG1 3.9Å; L167-A182 HydrophobicContact CD1-CB 3.94Å; L167-A182 HydrophobicContact CD2-CB 3.83Å; L167-A182 HydrophobicContact CG-CB 3.7Å |
| 168 | T | 89.2 | Confident | 89.4 | Confident | 33 Ų | 33 | 47.6 Ų | 47.6 | 20% | 0.202 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -107.7 | 0.6 | -176.4 | 74.4 | 0 | 0 | 0 | 0 | 113.9 | R117 K119 A165 Q166 H170 | R117-T168 WeakPolarHBondContact CD-O 3.44Å; R117-T168 PolarHBondContact NH1-O 2.85Å; K119-T168 HydrophobicContact CD-CG2 4.11Å; K119-T168 HydrophobicContact CG-CG2 3.82Å; K119-T168 WeakPolarHBondContact CG-OG1 3.41Å; A165-T168 PolarHBondContact O-N 3.33Å; A165-T168 PolarHBondContact O-OG1 3.15Å; Q166-T168 PolarHBondContact O-N 3.34Å; Q166-T168 VanDerWaalsContact O-N 3.09Å; T168-H170 VanDerWaalsContact C-N 3.31Å; T168-H170 PolarHBondContact O-N 3.26Å |
| 169 | K | 83.2 | Confident | 89.2 | Confident | 52 Ų | 52 | 49 Ų | 49 | 23% | 0.226 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -68.5 | -29.5 | -179.1 | -75.8 | -174.3 | 166.3 | 178.1 | 0 | 113.2 | F113 R117 Q166 | F113-K169 PolarHBondContact O-NZ 3.01Å; R117-K169 PolarHBondContact NH1-O 2.74Å; Q166-K169 WeakPolarHBondContact O-CB 3.32Å; Q166-K169 PolarHBondContact O-N 2.66Å |
| 170 | H | 79.8 | Confident | 89 | Confident | 86 Ų | 86 | 49.3 Ų | 49.3 | 40% | 0.398 | 24% | 0.241 | S | C | . | . | trans | -113.2 | 132.3 | -174.4 | -59.4 | -88.6 | 0 | 0 | 0 | 110.6 | T168 S173 P175 | T168-H170 VanDerWaalsContact C-N 3.31Å; T168-H170 PolarHBondContact O-N 3.26Å; H170-S173 WeakPolarHBondContact CB-O 3.43Å; H170-P175 WeakPolarHBondContact CD2-CD 3.1Å | ||
| 171 | E | 71.1 | Confident | 88.8 | Confident | 141 Ų | 141 | 49.1 Ų | 49.1 | 66% | 0.659 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -83.1 | -30.9 | -175.9 | -69.5 | 176.9 | -175.5 | 0 | 0 | 113.2 | R117 | R117-E171 IonicContact CZ-OE1 3.63Å; R117-E171 IonicContact NH1-OE1 3.73Å; R117-E171 IonicContact NH2-OE1 2.72Å; R117-E171 PolarHBondContact NH2-OE1 2.61Å |
| 172 | Y | 71.5 | Confident | 88.8 | Confident | 220 Ų | 220 | 48.4 Ų | 48.4 | 86% | 0.863 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -105.1 | -47.3 | -172 | -63.7 | -79.3 | 0 | 0 | 0 | 113.3 | ||
| 173 | S | 81.3 | Confident | 88.8 | Confident | 89 Ų | 89 | 52.2 Ų | 52.2 | 62% | 0.622 | 26% | 0.257 | S | S | * | . | trans | -143.9 | 126.4 | -179.1 | 57.2 | 0 | 0 | 0 | 0 | 110 | H170 P175 | H170-S173 WeakPolarHBondContact CB-O 3.43Å; S173-P175 VanDerWaalsContact O-CD 3.31Å; S173-P175 WeakPolarHBondContact O-CD 3.34Å | ||
| 174 | I | 84.2 | Confident | 88.8 | Confident | 75 Ų | 75 | 52.2 Ų | 52.2 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | trans | -80.9 | 117.8 | 177.2 | -56.2 | 171.5 | 0 | 0 | 0 | 107.4 | L167 C178 I179 | L167-I174 HydrophobicContact CB-CD1 4.39Å; L167-I174 HydrophobicContact CD2-CG2 3.92Å; L167-I174 WeakPolarHBondContact O-CD1 3.43Å; L167-I174 WeakPolarHBondContact O-CG1 3.35Å; I174-C178 HydrophobicContact CG2-CB 3.75Å; I174-I179 HydrophobicContact CG2-CD1 4.38Å; I174-I179 HydrophobicContact CG2-CG1 3.82Å | ||
| 175 | P | 86.2 | Confident | 88.9 | Confident | 32 Ų | 32 | 50.5 Ų | 50.5 | 21% | 0.208 | 25% | 0.248 | C | C | . | . | trans | -58.8 | 145.7 | 175.7 | -23.2 | 34 | 0 | 0 | 0 | 111.1 | H170 S173 T177 C178 I179 | H170-P175 WeakPolarHBondContact CD2-CD 3.1Å; S173-P175 VanDerWaalsContact O-CD 3.31Å; S173-P175 WeakPolarHBondContact O-CD 3.34Å; P175-T177 PolarHBondContact O-N 3.09Å; P175-T177 VanDerWaalsContact O-N 3.12Å; P175-C178 WeakPolarHBondContact O-CB 3.4Å; P175-C178 PolarHBondContact O-N 2.59Å; P175-I179 PolarHBondContact O-N 3.17Å | ||
| 176 | W | 87 | Confident | 89.1 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 31% | 0.314 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.9 | -27 | 177.7 | 73.5 | -91.3 | 0 | 0 | 0 | 112.3 | V12 L16 I179 A180 V225 V228 L232 | V12-W176 HydrophobicContact CG1-CH2 4.29Å; V12-W176 HydrophobicContact CG1-CZ2 3.98Å; L16-W176 HydrophobicContact CD1-CH2 3.92Å; W176-I179 PolarHBondContact O-N 3.24Å; W176-A180 HydrophobicContact CE3-CB 4.3Å; W176-A180 HydrophobicContact CZ3-CB 4.33Å; W176-A180 WeakPolarHBondContact O-CB 3.47Å; W176-A180 PolarHBondContact O-N 3.4Å; W176-V225 HydrophobicContact CH2-CB 4.18Å; W176-V225 HydrophobicContact CH2-CG2 4.49Å; W176-V225 WeakPolarHBondContact CH2-O 3.39Å; W176-V225 HydrophobicContact CZ3-CB 4.08Å; W176-V225 HydrophobicContact CZ3-CG2 3.9Å; W176-V228 HydrophobicContact CH2-CB 3.93Å; W176-V228 HydrophobicContact CH2-CG1 4.34Å; W176-V228 HydrophobicContact CH2-CG2 4.37Å; W176-V228 HydrophobicContact CZ2-CB 3.92Å; W176-V228 HydrophobicContact CZ2-CG1 4.01Å; W176-L232 HydrophobicContact CZ2-CD1 4.45Å |
| 177 | T | 89.3 | Confident | 89.4 | Confident | 10 Ų | 10 | 56 Ų | 56 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.2 | -33 | 175.1 | 49.6 | 0 | 0 | 0 | 0 | 113.2 | P175 S181 S226 D229 | P175-T177 PolarHBondContact O-N 3.09Å; P175-T177 VanDerWaalsContact O-N 3.12Å; T177-S181 WeakPolarHBondContact O-CB 3.47Å; T177-S181 PolarHBondContact O-N 2.84Å; T177-S181 PolarHBondContact O-OG 3Å; T177-S226 WeakPolarHBondContact CB-O 3.25Å; T177-S226 WeakPolarHBondContact CG2-O 3.5Å; T177-S226 WeakPolarHBondContact O-CB 3.34Å; T177-D229 HydrophobicContact CG2-CB 3.74Å |
| 178 | C | 91.9 | Very high | 89.7 | Confident | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.061 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 170.3 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | Q166 I174 P175 S181 A182 | Q166-C178 HydrophobicContact CB-CB 4.19Å; I174-C178 HydrophobicContact CG2-CB 3.75Å; P175-C178 WeakPolarHBondContact O-CB 3.4Å; P175-C178 PolarHBondContact O-N 2.59Å; C178-S181 WeakPolarHBondContact CA-OG 3.28Å; C178-S181 PolarHBondContact O-OG 3.41Å; C178-S181 VanDerWaalsContact O-OG 3.08Å; C178-A182 VanDerWaalsContact O-CB 3.26Å; C178-A182 WeakPolarHBondContact O-CB 3.43Å; C178-A182 PolarHBondContact O-N 3.28Å |
| 179 | I | 93 | Very high | 90.1 | Very high | 73 Ų | 73 | 51.9 Ų | 51.9 | 37% | 0.374 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 174.6 | -61.1 | 170.6 | 0 | 0 | 0 | 110.6 | L167 I174 P175 W176 A182 I183 | L167-I179 HydrophobicContact CD2-CB 4.41Å; L167-I179 HydrophobicContact CD2-CG1 3.9Å; I174-I179 HydrophobicContact CG2-CD1 4.38Å; I174-I179 HydrophobicContact CG2-CG1 3.82Å; P175-I179 PolarHBondContact O-N 3.17Å; W176-I179 PolarHBondContact O-N 3.24Å; I179-A182 PolarHBondContact O-N 3.1Å; I179-I183 HydrophobicContact CG2-CD1 3.63Å; I179-I183 HydrophobicContact CG2-CG1 4.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.42Å; I179-I183 PolarHBondContact O-N 3.47Å |
| 180 | A | 94.1 | Very high | 90.7 | Very high | 7 Ų | 7 | 52.2 Ų | 52.2 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -48.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W176 A182 G184 L222 V225 | W176-A180 HydrophobicContact CE3-CB 4.3Å; W176-A180 HydrophobicContact CZ3-CB 4.33Å; W176-A180 WeakPolarHBondContact O-CB 3.47Å; W176-A180 PolarHBondContact O-N 3.4Å; A180-A182 VanDerWaalsContact C-N 3.34Å; A180-A182 PolarHBondContact O-N 3.11Å; A180-G184 WeakPolarHBondContact O-CA 3.21Å; A180-G184 PolarHBondContact O-N 3.3Å; A180-L222 HydrophobicContact CB-CD2 4.34Å; A180-L222 WeakPolarHBondContact O-CB 3.46Å; A180-V225 HydrophobicContact CB-CG2 4Å |
| 181 | S | 95.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.1 | -38.9 | 176.3 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | T177 C178 G185 | T177-S181 WeakPolarHBondContact O-CB 3.47Å; T177-S181 PolarHBondContact O-N 2.84Å; T177-S181 PolarHBondContact O-OG 3Å; C178-S181 WeakPolarHBondContact CA-OG 3.28Å; C178-S181 PolarHBondContact O-OG 3.41Å; C178-S181 VanDerWaalsContact O-OG 3.08Å; S181-G185 PolarHBondContact O-N 3.34Å |
| 182 | A | 96.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -51 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A163 L164 L167 C178 I179 A180 G184 L186 | A163-A182 WeakPolarHBondContact O-CA 3.45Å; A163-A182 WeakPolarHBondContact O-CB 3.25Å; L164-A182 HydrophobicContact CD2-CB 4.34Å; L167-A182 HydrophobicContact CD1-CB 3.94Å; L167-A182 HydrophobicContact CD2-CB 3.83Å; L167-A182 HydrophobicContact CG-CB 3.7Å; C178-A182 VanDerWaalsContact O-CB 3.26Å; C178-A182 WeakPolarHBondContact O-CB 3.43Å; C178-A182 PolarHBondContact O-N 3.28Å; I179-A182 PolarHBondContact O-N 3.1Å; A180-A182 VanDerWaalsContact C-N 3.34Å; A180-A182 PolarHBondContact O-N 3.11Å; A182-G184 VanDerWaalsContact C-N 3.31Å; A182-G184 PolarHBondContact O-N 2.94Å; A182-L186 WeakPolarHBondContact O-CB 3.29Å; A182-L186 PolarHBondContact O-N 3.46Å |
| 183 | I | 97.7 | Very high | 93.9 | Very high | 80 Ų | 80 | 33.7 Ų | 33.7 | 41% | 0.41 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.8 | -40.3 | 176.9 | -62.3 | 173.1 | 0 | 0 | 0 | 109.8 | I179 L186 L187 L222 | I179-I183 HydrophobicContact CG2-CD1 3.63Å; I179-I183 HydrophobicContact CG2-CG1 4.28Å; I179-I183 WeakPolarHBondContact O-CG1 3.42Å; I179-I183 PolarHBondContact O-N 3.47Å; I183-L186 PolarHBondContact O-N 3.48Å; I183-L187 HydrophobicContact CG2-CD1 4.13Å; I183-L187 HydrophobicContact CG2-CG 4.27Å; I183-L187 WeakPolarHBondContact O-CG 3.44Å; I183-L187 PolarHBondContact O-N 3.11Å; I183-L222 HydrophobicContact CB-CD1 3.94Å; I183-L222 HydrophobicContact CG2-CD1 3.47Å; I183-L222 VanDerWaalsContact CG2-CD1 3.47Å |
| 184 | G | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -46.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A180 A182 L186 L187 F188 G219 | A180-G184 WeakPolarHBondContact O-CA 3.21Å; A180-G184 PolarHBondContact O-N 3.3Å; A182-G184 VanDerWaalsContact C-N 3.31Å; A182-G184 PolarHBondContact O-N 2.94Å; G184-L186 VanDerWaalsContact C-N 3.35Å; G184-L186 PolarHBondContact O-N 3Å; G184-L187 PolarHBondContact O-N 3.44Å; G184-F188 PolarHBondContact O-N 3.27Å; G184-G219 WeakPolarHBondContact CA-O 3.35Å; G184-G219 VanDerWaalsContact O-CA 3.3Å; G184-G219 WeakPolarHBondContact O-CA 3.49Å |
| 185 | G | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S181 F188 G189 | S181-G185 PolarHBondContact O-N 3.34Å; G185-F188 PolarHBondContact O-N 2.95Å; G185-G189 PolarHBondContact O-N 3.42Å |
| 186 | L | 98.1 | Very high | 95.2 | Very high | 77 Ų | 77 | 28.6 Ų | 28.6 | 40% | 0.403 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.7 | -46.8 | 175.3 | -179.1 | 63.6 | 0 | 0 | 0 | 112.1 | V160 A182 I183 G184 F188 G189 V190 | V160-L186 HydrophobicContact CG1-CD1 4.25Å; A182-L186 WeakPolarHBondContact O-CB 3.29Å; A182-L186 PolarHBondContact O-N 3.46Å; I183-L186 PolarHBondContact O-N 3.48Å; G184-L186 VanDerWaalsContact C-N 3.35Å; G184-L186 PolarHBondContact O-N 3Å; L186-F188 VanDerWaalsContact C-N 3.31Å; L186-F188 PolarHBondContact O-N 3.39Å; L186-G189 PolarHBondContact O-N 2.96Å; L186-V190 WeakPolarHBondContact O-CG2 3.36Å; L186-V190 PolarHBondContact O-N 2.94Å |
| 187 | L | 98.4 | Very high | 95.4 | Very high | 47 Ų | 47 | 26.3 Ų | 26.3 | 25% | 0.246 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.6 | -38.2 | 177.8 | -73 | 178.8 | 0 | 0 | 0 | 112.2 | I183 G184 V190 S191 A218 L222 | I183-L187 HydrophobicContact CG2-CD1 4.13Å; I183-L187 HydrophobicContact CG2-CG 4.27Å; I183-L187 WeakPolarHBondContact O-CG 3.44Å; I183-L187 PolarHBondContact O-N 3.11Å; G184-L187 PolarHBondContact O-N 3.44Å; L187-V190 PolarHBondContact O-N 3.2Å; L187-S191 WeakPolarHBondContact O-CB 3.46Å; L187-S191 PolarHBondContact O-N 3.37Å; L187-A218 HydrophobicContact CD1-CB 3.79Å; L187-L222 HydrophobicContact CD1-CD1 3.81Å |
| 188 | F | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 172.6 | -158.1 | -19.7 | 0 | 0 | 0 | 110.6 | F102 T105 H106 Y109 M159 G184 G185 L186 V190 S191 D192 Y216 Q220 I223 | F102-F188 HydrophobicContact CD1-CE1 4.16Å; F102-F188 AromaticContact CD1-CZ 3.71Å; F102-F188 HydrophobicContact CD1-CZ 3.71Å; F102-F188 HydrophobicContact CE1-CE1 4.28Å; F102-F188 AromaticContact CE1-CZ 3.84Å; F102-F188 HydrophobicContact CE1-CZ 3.84Å; T105-F188 HydrophobicContact CG2-CE2 3.99Å; T105-F188 HydrophobicContact CG2-CZ 4.3Å; H106-F188 AromaticContact CE1-CD1 3.77Å; H106-F188 AromaticContact CE1-CE1 3.43Å; H106-F188 VanDerWaalsContact CE1-CE1 3.43Å; H106-F188 WeakPolarHBondContact CE1-CE1 3.35Å; H106-F188 AromaticContact CE1-CE2 3.79Å; H106-F188 AromaticContact CE1-CZ 3.44Å; H106-F188 VanDerWaalsContact CE1-CZ 3.44Å; H106-F188 WeakPolarHBondContact CE1-CZ 3.31Å; Y109-F188 HydrophobicContact CD2-CD2 4.48Å; Y109-F188 HydrophobicContact CD2-CE2 4.45Å; Y109-F188 HydrophobicContact CE2-CD2 4.07Å; Y109-F188 AromaticContact CE2-CE2 3.83Å; Y109-F188 HydrophobicContact CE2-CE2 3.83Å; M159-F188 HydrophobicContact CE-CB 3.97Å; M159-F188 HydrophobicContact CE-CD2 4.23Å; M159-F188 HydrophobicContact CE-CG 4.1Å; G184-F188 PolarHBondContact O-N 3.27Å; G185-F188 PolarHBondContact O-N 2.95Å; L186-F188 VanDerWaalsContact C-N 3.31Å; L186-F188 PolarHBondContact O-N 3.39Å; F188-V190 VanDerWaalsContact C-N 3.28Å; F188-V190 PolarHBondContact O-N 3.46Å; F188-S191 WeakPolarHBondContact O-CB 3.31Å; F188-S191 PolarHBondContact O-N 3.01Å; F188-S191 VanDerWaalsContact O-N 3.15Å; F188-D192 WeakPolarHBondContact CD1-OD1 3.4Å; F188-D192 VanDerWaalsContact CE1-OD1 3.25Å; F188-D192 WeakPolarHBondContact CE1-OD1 3.44Å; F188-D192 PolarHBondContact O-N 3.22Å; F188-Y216 HydrophobicContact CD1-CD2 4.17Å; F188-Y216 AromaticContact CE1-CD2 3.84Å; F188-Y216 HydrophobicContact CE1-CD2 3.84Å; F188-Y216 AromaticContact CE1-CE2 3.92Å; F188-Y216 HydrophobicContact CE1-CE2 3.92Å; F188-Y216 HydrophobicContact CE2-CE2 4.18Å; F188-Y216 HydrophobicContact CZ-CD2 4.05Å; F188-Y216 AromaticContact CZ-CE2 3.67Å; F188-Y216 HydrophobicContact CZ-CE2 3.67Å; F188-Q220 HydrophobicContact CE2-CG 4.5Å; F188-Q220 VanDerWaalsContact CE2-NE2 3.33Å; F188-I223 HydrophobicContact CD2-CD1 4.22Å |
| 189 | G | 98 | Very high | 95.4 | Very high | 7 Ų | 7 | 31.1 Ų | 31.1 | 7% | 0.072 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -52.9 | -44.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G185 L186 T193 | G185-G189 PolarHBondContact O-N 3.42Å; L186-G189 PolarHBondContact O-N 2.96Å; G189-T193 VanDerWaalsContact O-CB 3.31Å; G189-T193 WeakPolarHBondContact O-CB 3.39Å; G189-T193 PolarHBondContact O-N 3.19Å; G189-T193 PolarHBondContact O-OG1 3.41Å |
| 190 | V | 96.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 28.5 Ų | 28.5 | 36% | 0.358 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.2 | -47.2 | 176.6 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | L186 L187 F188 D192 T193 I194 | L186-V190 WeakPolarHBondContact O-CG2 3.36Å; L186-V190 PolarHBondContact O-N 2.94Å; L187-V190 PolarHBondContact O-N 3.2Å; F188-V190 VanDerWaalsContact C-N 3.28Å; F188-V190 PolarHBondContact O-N 3.46Å; V190-D192 PolarHBondContact O-N 3.44Å; V190-T193 PolarHBondContact O-N 2.93Å; V190-I194 HydrophobicContact CG1-CD1 3.73Å; V190-I194 HydrophobicContact CG1-CG1 4.4Å; V190-I194 VanDerWaalsContact O-CG1 3.27Å; V190-I194 WeakPolarHBondContact O-CG1 3.29Å; V190-I194 PolarHBondContact O-N 3.37Å |
| 191 | S | 97.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.014 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -53.1 | -53.5 | 176.3 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | L187 F188 T193 I194 L195 I212 T215 Y216 | L187-S191 WeakPolarHBondContact O-CB 3.46Å; L187-S191 PolarHBondContact O-N 3.37Å; F188-S191 WeakPolarHBondContact O-CB 3.31Å; F188-S191 PolarHBondContact O-N 3.01Å; F188-S191 VanDerWaalsContact O-N 3.15Å; S191-T193 VanDerWaalsContact C-N 3.31Å; S191-T193 PolarHBondContact O-N 3.38Å; S191-I194 PolarHBondContact O-N 3.02Å; S191-L195 WeakPolarHBondContact O-CB 3.31Å; S191-L195 PolarHBondContact O-N 3.46Å; S191-I212 PolarHBondContact OG-O 3.42Å; S191-T215 WeakPolarHBondContact CA-OG1 3.09Å; S191-T215 VanDerWaalsContact CB-OG1 3.29Å; S191-T215 WeakPolarHBondContact CB-OG1 3.48Å; S191-Y216 WeakPolarHBondContact OG-CB 3.32Å |
| 192 | D | 96.6 | Very high | 93.5 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.1 | -32.9 | -175.9 | -80.7 | 20 | 0 | 0 | 0 | 112.1 | H106 Y152 L156 F188 V190 L195 G196 | H106-D192 IonicContact CE1-OD2 3.55Å; H106-D192 IonicContact NE2-OD2 2.99Å; H106-D192 PolarHBondContact NE2-OD2 2.89Å; Y152-D192 HydrophobicContact CE1-CB 4.47Å; Y152-D192 PolarHBondContact OH-OD2 3.42Å; L156-D192 HydrophobicContact CD1-CB 4.05Å; L156-D192 HydrophobicContact CD2-CB 3.55Å; L156-D192 HydrophobicContact CG-CB 4.47Å; F188-D192 WeakPolarHBondContact CD1-OD1 3.4Å; F188-D192 VanDerWaalsContact CE1-OD1 3.25Å; F188-D192 WeakPolarHBondContact CE1-OD1 3.44Å; F188-D192 PolarHBondContact O-N 3.22Å; V190-D192 PolarHBondContact O-N 3.44Å; D192-L195 PolarHBondContact O-N 3.37Å; D192-G196 PolarHBondContact O-N 3.22Å |
| 193 | T | 94.8 | Very high | 92 | Very high | 42 Ų | 42 | 41.2 Ų | 41.2 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.2 | -49 | 172.1 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | V133 G189 V190 S191 L195 G196 I197 | V133-T193 HydrophobicContact CG1-CG2 4.4Å; V133-T193 HydrophobicContact CG2-CG2 3.58Å; G189-T193 VanDerWaalsContact O-CB 3.31Å; G189-T193 WeakPolarHBondContact O-CB 3.39Å; G189-T193 PolarHBondContact O-N 3.19Å; G189-T193 PolarHBondContact O-OG1 3.41Å; V190-T193 PolarHBondContact O-N 2.93Å; S191-T193 VanDerWaalsContact C-N 3.31Å; S191-T193 PolarHBondContact O-N 3.38Å; T193-L195 VanDerWaalsContact C-N 3.31Å; T193-L195 PolarHBondContact O-N 3.04Å; T193-G196 PolarHBondContact O-N 3.34Å; T193-I197 HydrophobicContact CG2-CD1 3.9Å; T193-I197 VanDerWaalsContact O-CG1 3.23Å; T193-I197 WeakPolarHBondContact O-CG1 3.39Å; T193-I197 PolarHBondContact O-N 3.12Å |
| 194 | I | 94.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 17% | 0.169 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 177.1 | -64.2 | 166.6 | 0 | 0 | 0 | 110.2 | V190 S191 I197 C198 K208 L211 I212 | V190-I194 HydrophobicContact CG1-CD1 3.73Å; V190-I194 HydrophobicContact CG1-CG1 4.4Å; V190-I194 VanDerWaalsContact O-CG1 3.27Å; V190-I194 WeakPolarHBondContact O-CG1 3.29Å; V190-I194 PolarHBondContact O-N 3.37Å; S191-I194 PolarHBondContact O-N 3.02Å; I194-I197 PolarHBondContact O-N 3.47Å; I194-C198 WeakPolarHBondContact O-CB 3.17Å; I194-C198 PolarHBondContact O-N 2.95Å; I194-C198 PolarHBondContact O-SG 2.93Å; I194-C198 VanDerWaalsContact O-SG 3.34Å; I194-K208 WeakPolarHBondContact CG2-O 3.29Å; I194-L211 HydrophobicContact CD1-CB 4.28Å; I194-I212 HydrophobicContact CB-CG1 4.06Å; I194-I212 HydrophobicContact CG2-CD1 4.19Å; I194-I212 HydrophobicContact CG2-CG1 3.53Å |
| 195 | L | 93.8 | Very high | 88.6 | Confident | 40 Ų | 40 | 43.4 Ų | 43.4 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 177.3 | 177.8 | 62.6 | 0 | 0 | 0 | 111.7 | L89 S191 D192 T193 I197 C198 L199 I212 | L89-L195 HydrophobicContact CD1-CD2 4.07Å; S191-L195 WeakPolarHBondContact O-CB 3.31Å; S191-L195 PolarHBondContact O-N 3.46Å; D192-L195 PolarHBondContact O-N 3.37Å; T193-L195 VanDerWaalsContact C-N 3.31Å; T193-L195 PolarHBondContact O-N 3.04Å; L195-I197 VanDerWaalsContact C-N 3.34Å; L195-I197 PolarHBondContact O-N 3.33Å; L195-C198 PolarHBondContact O-N 2.97Å; L195-L199 HydrophobicContact CD1-CD1 3.77Å; L195-L199 HydrophobicContact CD1-CG 3.99Å; L195-L199 HydrophobicContact CG-CD1 3.87Å; L195-L199 HydrophobicContact CG-CG 4.44Å; L195-L199 WeakPolarHBondContact O-CB 3.47Å; L195-L199 VanDerWaalsContact O-CG 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.29Å; L195-L199 PolarHBondContact O-N 2.95Å; L195-I212 HydrophobicContact CB-CD1 4.08Å; L195-I212 HydrophobicContact CB-CG1 4.34Å; L195-I212 HydrophobicContact CB-CG2 4.07Å; L195-I212 HydrophobicContact CD1-CD1 3.93Å; L195-I212 HydrophobicContact CD1-CG2 4.44Å |
| 196 | G | 92.4 | Very high | 87 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 18% | 0.175 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D192 T193 L199 F200 | D192-G196 PolarHBondContact O-N 3.22Å; T193-G196 PolarHBondContact O-N 3.34Å; G196-L199 PolarHBondContact O-N 2.83Å; G196-F200 VanDerWaalsContact O-CD2 3.3Å; G196-F200 WeakPolarHBondContact O-CD2 3.46Å; G196-F200 PolarHBondContact O-N 2.83Å |
| 197 | I | 91.5 | Very high | 85.6 | Confident | 35 Ų | 35 | 51 Ų | 51 | 18% | 0.179 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.8 | -37.6 | 178.8 | -45.7 | 159.2 | 0 | 0 | 0 | 110.9 | V133 V137 T193 I194 L195 L199 S201 I204 | V133-I197 HydrophobicContact CG1-CG1 4.19Å; V137-I197 HydrophobicContact CG1-CB 4.2Å; V137-I197 HydrophobicContact CG1-CG1 4.13Å; V137-I197 HydrophobicContact CG1-CG2 4.03Å; T193-I197 HydrophobicContact CG2-CD1 3.9Å; T193-I197 VanDerWaalsContact O-CG1 3.23Å; T193-I197 WeakPolarHBondContact O-CG1 3.39Å; T193-I197 PolarHBondContact O-N 3.12Å; I194-I197 PolarHBondContact O-N 3.47Å; L195-I197 VanDerWaalsContact C-N 3.34Å; L195-I197 PolarHBondContact O-N 3.33Å; I197-L199 VanDerWaalsContact C-N 3.29Å; I197-L199 PolarHBondContact O-N 3.02Å; I197-S201 WeakPolarHBondContact O-CA 3.3Å; I197-S201 WeakPolarHBondContact O-CB 3.48Å; I197-S201 PolarHBondContact O-N 3.44Å; I197-I204 HydrophobicContact CB-CD1 3.65Å; I197-I204 HydrophobicContact CG2-CD1 3.16Å; I197-I204 HydrophobicContact CG2-CG1 4.22Å |
| 198 | C | 90.3 | Very high | 84.5 | Confident | 32 Ų | 32 | 54.7 Ų | 54.7 | 22% | 0.216 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -30.4 | 174 | -76.9 | 0 | 0 | 0 | 0 | 113.6 | I194 L195 C209 I212 | I194-C198 WeakPolarHBondContact O-CB 3.17Å; I194-C198 PolarHBondContact O-N 2.95Å; I194-C198 PolarHBondContact O-SG 2.93Å; I194-C198 VanDerWaalsContact O-SG 3.34Å; L195-C198 PolarHBondContact O-N 2.97Å; C198-C209 HydrophobicContact CB-CB 4.11Å; C198-C209 WeakPolarHBondContact CB-SG 3.5Å; C198-C209 WeakPolarHBondContact SG-CA 3.3Å; C198-C209 WeakPolarHBondContact SG-CB 3.32Å; C198-C209 CovalentContact SG-SG 2.05Å; C198-C209 PolarHBondContact SG-SG 3.29Å; C198-I212 HydrophobicContact CB-CD1 4.28Å |
| 199 | L | 89.3 | Confident | 83.9 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -85.6 | -32.4 | -179.5 | -72.5 | 174.2 | 0 | 0 | 0 | 113.5 | L95 L195 G196 I197 | L95-L199 HydrophobicContact CD1-CD1 3.94Å; L195-L199 HydrophobicContact CD1-CD1 3.77Å; L195-L199 HydrophobicContact CD1-CG 3.99Å; L195-L199 HydrophobicContact CG-CD1 3.87Å; L195-L199 HydrophobicContact CG-CG 4.44Å; L195-L199 WeakPolarHBondContact O-CB 3.47Å; L195-L199 VanDerWaalsContact O-CG 3.3Å; L195-L199 WeakPolarHBondContact O-CG 3.29Å; L195-L199 PolarHBondContact O-N 2.95Å; G196-L199 PolarHBondContact O-N 2.83Å; I197-L199 VanDerWaalsContact C-N 3.29Å; I197-L199 PolarHBondContact O-N 3.02Å |
| 200 | F | 89.4 | Confident | 83.4 | Confident | 19 Ų | 19 | 61.3 Ų | 61.3 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -122.7 | -0.4 | -167.7 | -61.7 | -71.4 | 0 | 0 | 0 | 114.7 | L95 V137 G140 L141 I149 G196 | L95-F200 HydrophobicContact CD2-CZ 4.33Å; V137-F200 HydrophobicContact CB-CB 3.74Å; V137-F200 HydrophobicContact CG1-CB 4.15Å; V137-F200 HydrophobicContact CG2-CB 4.43Å; G140-F200 VanDerWaalsContact CA-O 3.3Å; G140-F200 WeakPolarHBondContact CA-O 3.3Å; G140-F200 PolarHBondContact N-O 3.23Å; L141-F200 HydrophobicContact CD2-CB 4.46Å; L141-F200 HydrophobicContact CD2-CD1 4.27Å; L141-F200 HydrophobicContact CD2-CG 4.26Å; I149-F200 HydrophobicContact CD1-CD2 4.27Å; I149-F200 HydrophobicContact CD1-CE1 4.4Å; I149-F200 HydrophobicContact CD1-CE2 3.41Å; I149-F200 VanDerWaalsContact CD1-CE2 3.41Å; I149-F200 HydrophobicContact CD1-CZ 3.49Å; I149-F200 VanDerWaalsContact CD1-CZ 3.49Å; I149-F200 HydrophobicContact CG1-CD2 4.41Å; I149-F200 HydrophobicContact CG1-CE1 4.49Å; I149-F200 HydrophobicContact CG1-CE2 3.96Å; I149-F200 HydrophobicContact CG1-CZ 4.01Å; G196-F200 VanDerWaalsContact O-CD2 3.3Å; G196-F200 WeakPolarHBondContact O-CD2 3.46Å; G196-F200 PolarHBondContact O-N 2.83Å |
| 201 | S | 85.8 | Confident | 83.2 | Confident | 35 Ų | 35 | 62.4 Ų | 62.4 | 25% | 0.245 | 35% | 0.352 | C | S | . | . | trans | -105.8 | 139.3 | 171.9 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | I197 D203 | I197-S201 WeakPolarHBondContact O-CA 3.3Å; I197-S201 WeakPolarHBondContact O-CB 3.48Å; I197-S201 PolarHBondContact O-N 3.44Å; S201-D203 VanDerWaalsContact C-N 3.28Å; S201-D203 PolarHBondContact O-N 3.48Å | ||
| 202 | S | 69.1 | Low | 83.1 | Confident | 91 Ų | 91 | 63.4 Ų | 63.4 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -71.9 | -19.2 | -179.8 | -50 | 0 | 0 | 0 | 0 | 113.4 | ||
| 203 | D | 64.7 | Low | 83 | Confident | 149 Ų | 149 | 64.3 Ų | 64.3 | 80% | 0.797 | 36% | 0.362 | S | S | * | . | trans | -119.3 | 30.4 | -158.2 | -81.4 | -18.9 | 0 | 0 | 0 | 116.1 | S201 | S201-D203 VanDerWaalsContact C-N 3.28Å; S201-D203 PolarHBondContact O-N 3.48Å | ||
| 204 | I | 63.1 | Low | 83.1 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 23% | 0.226 | 36% | 0.363 | C | S | . | . | trans | -104.7 | 119.6 | 179.8 | -68.7 | -169.8 | 0 | 0 | 0 | 113.7 | I197 S206 K208 | I197-I204 HydrophobicContact CB-CD1 3.65Å; I197-I204 HydrophobicContact CG2-CD1 3.16Å; I197-I204 HydrophobicContact CG2-CG1 4.22Å; I204-S206 PolarHBondContact O-N 3.27Å; I204-K208 HydrophobicContact CG2-CB 3.98Å; I204-K208 HydrophobicContact CG2-CD 4.25Å | ||
| 205 | S | 60.9 | Low | 83.2 | Confident | 83 Ų | 83 | 64 Ų | 64 | 58% | 0.58 | 36% | 0.362 | S | S | * | . | trans | -51.1 | 126.8 | 162.2 | 177.6 | 0 | 0 | 0 | 0 | 110.6 | F207 K208 | S205-F207 PolarHBondContact O-N 3.21Å; S205-K208 PolarHBondContact O-N 2.8Å; S205-K208 VanDerWaalsContact O-N 3.11Å | ||
| 206 | S | 64.4 | Low | 83.4 | Confident | 92 Ų | 92 | 62.3 Ų | 62.3 | 64% | 0.643 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -50.8 | -20.9 | -179.8 | -45.6 | 0 | 0 | 0 | 0 | 114 | I204 K208 C209 | I204-S206 PolarHBondContact O-N 3.27Å; S206-K208 PolarHBondContact O-N 3.14Å; S206-C209 PolarHBondContact O-N 3.05Å |
| 207 | F | 68.4 | Low | 83.7 | Confident | 145 Ų | 145 | 61.5 Ų | 61.5 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60 | -40.8 | 177.8 | -173.1 | -100.1 | 0 | 0 | 0 | 113.6 | S205 C209 N210 | S205-F207 PolarHBondContact O-N 3.21Å; F207-C209 VanDerWaalsContact C-N 3.27Å; F207-C209 PolarHBondContact O-N 2.97Å; F207-N210 WeakPolarHBondContact O-CB 3.48Å; F207-N210 PolarHBondContact O-N 3.42Å |
| 208 | K | 76.3 | Confident | 84 | Confident | 123 Ų | 123 | 61.5 Ų | 61.5 | 54% | 0.535 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 179.2 | -68.7 | -176.7 | -177.3 | 174.5 | 0 | 111.3 | I194 I204 S205 S206 N210 L211 | I194-K208 WeakPolarHBondContact CG2-O 3.29Å; I204-K208 HydrophobicContact CG2-CB 3.98Å; I204-K208 HydrophobicContact CG2-CD 4.25Å; S205-K208 PolarHBondContact O-N 2.8Å; S205-K208 VanDerWaalsContact O-N 3.11Å; S206-K208 PolarHBondContact O-N 3.14Å; K208-N210 PolarHBondContact O-N 3.11Å; K208-L211 WeakPolarHBondContact O-CB 3.29Å; K208-L211 PolarHBondContact O-N 2.94Å |
| 209 | C | 85 | Confident | 84.4 | Confident | 40 Ų | 40 | 60 Ų | 60 | 27% | 0.27 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.1 | -22.8 | -179 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | C198 S206 F207 L211 I212 | C198-C209 HydrophobicContact CB-CB 4.11Å; C198-C209 WeakPolarHBondContact CB-SG 3.5Å; C198-C209 WeakPolarHBondContact SG-CA 3.3Å; C198-C209 WeakPolarHBondContact SG-CB 3.32Å; C198-C209 CovalentContact SG-SG 2.05Å; C198-C209 PolarHBondContact SG-SG 3.29Å; S206-C209 PolarHBondContact O-N 3.05Å; F207-C209 VanDerWaalsContact C-N 3.27Å; F207-C209 PolarHBondContact O-N 2.97Å; C209-L211 PolarHBondContact O-N 3.32Å; C209-I212 HydrophobicContact CB-CD1 3.95Å; C209-I212 WeakPolarHBondContact O-CB 3.09Å; C209-I212 WeakPolarHBondContact O-CD1 3.3Å; C209-I212 VanDerWaalsContact O-CG1 3.25Å; C209-I212 WeakPolarHBondContact O-CG1 3.35Å; C209-I212 PolarHBondContact O-N 2.97Å |
| 210 | N | 88.1 | Confident | 84.8 | Confident | 106 Ų | 106 | 55.9 Ų | 55.9 | 57% | 0.567 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -18.2 | 173.3 | -65.5 | -20.2 | 0 | 0 | 0 | 113.3 | F207 K208 P214 | F207-N210 WeakPolarHBondContact O-CB 3.48Å; F207-N210 PolarHBondContact O-N 3.42Å; K208-N210 PolarHBondContact O-N 3.11Å; N210-P214 WeakPolarHBondContact O-CD 3.45Å; N210-P214 WeakPolarHBondContact O-CG 3.3Å |
| 211 | L | 92.4 | Very high | 85.2 | Confident | 83 Ų | 83 | 56 Ų | 56 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.3 | 178 | -62.1 | 177.8 | 0 | 0 | 0 | 113.7 | I194 K208 C209 P214 T215 | I194-L211 HydrophobicContact CD1-CB 4.28Å; K208-L211 WeakPolarHBondContact O-CB 3.29Å; K208-L211 PolarHBondContact O-N 2.94Å; C209-L211 PolarHBondContact O-N 3.32Å; L211-P214 WeakPolarHBondContact O-CD 3.34Å; L211-T215 WeakPolarHBondContact O-CB 3.48Å; L211-T215 WeakPolarHBondContact O-CG2 3.41Å; L211-T215 PolarHBondContact O-N 2.87Å; L211-T215 PolarHBondContact O-OG1 3.44Å |
| 212 | I | 94.8 | Very high | 85.8 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.9 | -62.4 | -179.9 | -63.3 | 166.2 | 0 | 0 | 0 | 110.1 | S191 I194 L195 C198 C209 T215 Y216 | S191-I212 PolarHBondContact OG-O 3.42Å; I194-I212 HydrophobicContact CB-CG1 4.06Å; I194-I212 HydrophobicContact CG2-CD1 4.19Å; I194-I212 HydrophobicContact CG2-CG1 3.53Å; L195-I212 HydrophobicContact CB-CD1 4.08Å; L195-I212 HydrophobicContact CB-CG1 4.34Å; L195-I212 HydrophobicContact CB-CG2 4.07Å; L195-I212 HydrophobicContact CD1-CD1 3.93Å; L195-I212 HydrophobicContact CD1-CG2 4.44Å; C198-I212 HydrophobicContact CB-CD1 4.28Å; C209-I212 HydrophobicContact CB-CD1 3.95Å; C209-I212 WeakPolarHBondContact O-CB 3.09Å; C209-I212 WeakPolarHBondContact O-CD1 3.3Å; C209-I212 VanDerWaalsContact O-CG1 3.25Å; C209-I212 WeakPolarHBondContact O-CG1 3.35Å; C209-I212 PolarHBondContact O-N 2.97Å; I212-T215 PolarHBondContact O-N 3.42Å; I212-T215 PolarHBondContact O-OG1 3.04Å; I212-Y216 VanDerWaalsContact O-CB 3.3Å; I212-Y216 WeakPolarHBondContact O-CB 3.18Å; I212-Y216 PolarHBondContact O-N 3.23Å |
| 213 | L | 95.3 | Very high | 87.1 | Confident | 33 Ų | 33 | 52.3 Ų | 52.3 | 17% | 0.173 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | -174.5 | -74 | 161.8 | 0 | 0 | 0 | 113.7 | F30 Y31 K47 T215 Y216 Y217 | F30-L213 HydrophobicContact CE1-CD1 3.8Å; F30-L213 HydrophobicContact CE1-CD2 4.43Å; F30-L213 HydrophobicContact CZ-CD1 4.02Å; Y31-L213 WeakPolarHBondContact OH-CB 3.32Å; K47-L213 HydrophobicContact CG-CD2 4.49Å; L213-T215 PolarHBondContact O-N 3.45Å; L213-Y216 HydrophobicContact CD2-CD1 4.49Å; L213-Y216 PolarHBondContact O-N 3.07Å; L213-Y217 HydrophobicContact CB-CD2 4.26Å; L213-Y217 HydrophobicContact CB-CE2 4.06Å; L213-Y217 HydrophobicContact CD2-CE2 3.81Å; L213-Y217 HydrophobicContact CG-CE2 4.49Å; L213-Y217 WeakPolarHBondContact O-CB 3.36Å; L213-Y217 WeakPolarHBondContact O-CD2 3.45Å; L213-Y217 PolarHBondContact O-N 3.39Å |
| 214 | P | 95.8 | Very high | 88.6 | Confident | 43 Ų | 43 | 45.2 Ų | 45.2 | 28% | 0.279 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.2 | -22.2 | 34.5 | 0 | 0 | 0 | 112.8 | Y31 N210 L211 A218 | Y31-P214 WeakPolarHBondContact OH-CD 3.15Å; Y31-P214 WeakPolarHBondContact OH-CG 3.45Å; N210-P214 WeakPolarHBondContact O-CD 3.45Å; N210-P214 WeakPolarHBondContact O-CG 3.3Å; L211-P214 WeakPolarHBondContact O-CD 3.34Å; P214-A218 WeakPolarHBondContact O-CB 3.42Å; P214-A218 PolarHBondContact O-N 3.17Å |
| 215 | T | 97.3 | Very high | 90 | Very high | 25 Ų | 25 | 43.6 Ų | 43.6 | 15% | 0.153 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.2 | -38.5 | 178.7 | 54.6 | 0 | 0 | 0 | 0 | 111.4 | S191 L211 I212 L213 G219 | S191-T215 WeakPolarHBondContact CA-OG1 3.09Å; S191-T215 VanDerWaalsContact CB-OG1 3.29Å; S191-T215 WeakPolarHBondContact CB-OG1 3.48Å; L211-T215 WeakPolarHBondContact O-CB 3.48Å; L211-T215 WeakPolarHBondContact O-CG2 3.41Å; L211-T215 PolarHBondContact O-N 2.87Å; L211-T215 PolarHBondContact O-OG1 3.44Å; I212-T215 PolarHBondContact O-N 3.42Å; I212-T215 PolarHBondContact O-OG1 3.04Å; L213-T215 PolarHBondContact O-N 3.45Å; T215-G219 PolarHBondContact O-N 3.4Å |
| 216 | Y | 98.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.016 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -57.7 | 172.1 | 170.9 | -120.6 | 0 | 0 | 0 | 112.5 | I51 D86 F102 F188 S191 I212 L213 A218 G219 Q220 | I51-Y216 HydrophobicContact CD1-CE1 3.89Å; I51-Y216 HydrophobicContact CG1-CE1 4.11Å; D86-Y216 WeakPolarHBondContact OD1-CE1 3.47Å; D86-Y216 WeakPolarHBondContact OD2-CE1 3.13Å; D86-Y216 VanDerWaalsContact OD2-CZ 3.32Å; D86-Y216 PolarHBondContact OD2-OH 3.43Å; F102-Y216 AromaticContact CE1-CE2 3.79Å; F102-Y216 HydrophobicContact CE1-CE2 3.79Å; F102-Y216 AromaticContact CE1-CZ 3.98Å; F102-Y216 HydrophobicContact CZ-CE2 4.33Å; F188-Y216 HydrophobicContact CD1-CD2 4.17Å; F188-Y216 AromaticContact CE1-CD2 3.84Å; F188-Y216 HydrophobicContact CE1-CD2 3.84Å; F188-Y216 AromaticContact CE1-CE2 3.92Å; F188-Y216 HydrophobicContact CE1-CE2 3.92Å; F188-Y216 HydrophobicContact CE2-CE2 4.18Å; F188-Y216 HydrophobicContact CZ-CD2 4.05Å; F188-Y216 AromaticContact CZ-CE2 3.67Å; F188-Y216 HydrophobicContact CZ-CE2 3.67Å; S191-Y216 WeakPolarHBondContact OG-CB 3.32Å; I212-Y216 VanDerWaalsContact O-CB 3.3Å; I212-Y216 WeakPolarHBondContact O-CB 3.18Å; I212-Y216 PolarHBondContact O-N 3.23Å; L213-Y216 HydrophobicContact CD2-CD1 4.49Å; L213-Y216 PolarHBondContact O-N 3.07Å; Y216-A218 VanDerWaalsContact C-N 3.32Å; Y216-A218 PolarHBondContact O-N 3.12Å; Y216-G219 WeakPolarHBondContact O-CA 3.43Å; Y216-G219 PolarHBondContact O-N 2.99Å; Y216-G219 VanDerWaalsContact O-N 3.1Å; Y216-Q220 HydrophobicContact CD2-CG 3.87Å; Y216-Q220 HydrophobicContact CE1-CG 4.5Å; Y216-Q220 HydrophobicContact CE2-CG 3.44Å; Y216-Q220 VanDerWaalsContact CE2-CG 3.44Å; Y216-Q220 WeakPolarHBondContact O-CG 3.49Å; Y216-Q220 PolarHBondContact O-N 3.43Å |
| 217 | Y | 98.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -36.5 | -176.6 | -71.3 | -53.7 | 0 | 0 | 0 | 112 | F27 F30 K47 P50 I51 L213 Q220 L221 | F27-Y217 AromaticContact CD2-CD2 3.53Å; F27-Y217 HydrophobicContact CD2-CD2 3.53Å; F27-Y217 HydrophobicContact CD2-CE2 4.23Å; F27-Y217 AromaticContact CD2-CG 3.91Å; F27-Y217 HydrophobicContact CD2-CG 3.91Å; F27-Y217 AromaticContact CE2-CD2 3.59Å; F27-Y217 HydrophobicContact CE2-CD2 3.59Å; F27-Y217 HydrophobicContact CE2-CE2 4.45Å; F27-Y217 HydrophobicContact CE2-CG 4.16Å; F30-Y217 HydrophobicContact CD1-CE2 4.12Å; F30-Y217 HydrophobicContact CE1-CE2 4.1Å; K47-Y217 WeakPolarHBondContact CG-OH 3.45Å; K47-Y217 PolarHBondContact O-OH 3.05Å; P50-Y217 HydrophobicContact CB-CD1 3.72Å; P50-Y217 HydrophobicContact CB-CE1 3.6Å; P50-Y217 HydrophobicContact CB-CG 4.46Å; P50-Y217 HydrophobicContact CG-CD1 4.25Å; P50-Y217 HydrophobicContact CG-CE1 3.76Å; P50-Y217 HydrophobicContact CG-CE2 4.46Å; I51-Y217 HydrophobicContact CD1-CD1 3.86Å; I51-Y217 HydrophobicContact CD1-CE1 4.02Å; I51-Y217 HydrophobicContact CG1-CD1 4.43Å; I51-Y217 HydrophobicContact CG1-CE1 4.08Å; L213-Y217 HydrophobicContact CB-CD2 4.26Å; L213-Y217 HydrophobicContact CB-CE2 4.06Å; L213-Y217 HydrophobicContact CD2-CE2 3.81Å; L213-Y217 HydrophobicContact CG-CE2 4.49Å; L213-Y217 WeakPolarHBondContact O-CB 3.36Å; L213-Y217 WeakPolarHBondContact O-CD2 3.45Å; L213-Y217 PolarHBondContact O-N 3.39Å; Y217-Q220 PolarHBondContact O-N 3.28Å; Y217-L221 VanDerWaalsContact O-CB 3.28Å; Y217-L221 WeakPolarHBondContact O-CB 3.49Å; Y217-L221 PolarHBondContact O-N 3.28Å |
| 218 | A | 98 | Very high | 93.5 | Very high | 36 Ų | 36 | 28.8 Ų | 28.8 | 30% | 0.298 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -64.6 | -41.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L187 P214 Y216 L221 L222 | L187-A218 HydrophobicContact CD1-CB 3.79Å; P214-A218 WeakPolarHBondContact O-CB 3.42Å; P214-A218 PolarHBondContact O-N 3.17Å; Y216-A218 VanDerWaalsContact C-N 3.32Å; Y216-A218 PolarHBondContact O-N 3.12Å; A218-L221 PolarHBondContact O-N 3.29Å; A218-L222 WeakPolarHBondContact O-CB 3.43Å; A218-L222 WeakPolarHBondContact O-CG 3.42Å; A218-L222 PolarHBondContact O-N 3.35Å |
| 219 | G | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.3 | -51 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | G184 T215 Y216 L221 L222 I223 | G184-G219 WeakPolarHBondContact CA-O 3.35Å; G184-G219 VanDerWaalsContact O-CA 3.3Å; G184-G219 WeakPolarHBondContact O-CA 3.49Å; T215-G219 PolarHBondContact O-N 3.4Å; Y216-G219 WeakPolarHBondContact O-CA 3.43Å; Y216-G219 PolarHBondContact O-N 2.99Å; Y216-G219 VanDerWaalsContact O-N 3.1Å; G219-L221 PolarHBondContact O-N 3.26Å; G219-L222 PolarHBondContact O-N 2.91Å; G219-I223 WeakPolarHBondContact O-CG1 3.34Å; G219-I223 PolarHBondContact O-N 3.19Å |
| 220 | Q | 98.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63 | -41 | 178.8 | -71 | -72.4 | 23 | 0 | 0 | 112.9 | I51 L54 L79 S82 Y109 F188 Y216 Y217 S224 | I51-Q220 HydrophobicContact CD1-CB 3.82Å; I51-Q220 HydrophobicContact CD1-CG 3.74Å; L54-Q220 HydrophobicContact CD1-CB 3.76Å; L79-Q220 VanDerWaalsContact CD2-OE1 3.31Å; S82-Q220 VanDerWaalsContact CB-NE2 3.26Å; S82-Q220 PolarHBondContact OG-NE2 3.22Å; S82-Q220 VanDerWaalsContact OG-NE2 3.15Å; Y109-Q220 PolarHBondContact OH-OE1 3.26Å; F188-Q220 HydrophobicContact CE2-CG 4.5Å; F188-Q220 VanDerWaalsContact CE2-NE2 3.33Å; Y216-Q220 HydrophobicContact CD2-CG 3.87Å; Y216-Q220 HydrophobicContact CE1-CG 4.5Å; Y216-Q220 HydrophobicContact CE2-CG 3.44Å; Y216-Q220 VanDerWaalsContact CE2-CG 3.44Å; Y216-Q220 WeakPolarHBondContact O-CG 3.49Å; Y216-Q220 PolarHBondContact O-N 3.43Å; Y217-Q220 PolarHBondContact O-N 3.28Å; Q220-S224 VanDerWaalsContact O-CB 3.25Å; Q220-S224 WeakPolarHBondContact O-CB 3.45Å; Q220-S224 PolarHBondContact O-N 3.03Å; Q220-S224 PolarHBondContact O-OG 3.19Å |
| 221 | L | 97.5 | Very high | 90.7 | Very high | 23 Ų | 23 | 19.9 Ų | 19.9 | 12% | 0.12 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.7 | -49.4 | 173.9 | 174.1 | 65.5 | 0 | 0 | 0 | 110.9 | L20 F23 F24 L54 Y217 A218 G219 S224 V225 | L20-L221 HydrophobicContact CD1-CD1 4.06Å; L20-L221 HydrophobicContact CD2-CD1 3.58Å; L20-L221 HydrophobicContact CG-CD1 4.35Å; F23-L221 HydrophobicContact CD1-CD1 4.05Å; F23-L221 HydrophobicContact CD1-CD2 4.28Å; F23-L221 HydrophobicContact CE1-CB 4.07Å; F23-L221 HydrophobicContact CE1-CD1 4.15Å; F23-L221 HydrophobicContact CE1-CD2 3.78Å; F23-L221 HydrophobicContact CE1-CG 4.21Å; F23-L221 HydrophobicContact CE2-CB 4.5Å; F23-L221 HydrophobicContact CG-CD1 4.45Å; F23-L221 HydrophobicContact CZ-CB 3.9Å; F23-L221 HydrophobicContact CZ-CD2 4.43Å; F24-L221 HydrophobicContact CE1-CD2 4.31Å; F24-L221 HydrophobicContact CZ-CD2 3.86Å; L54-L221 HydrophobicContact CD2-CD1 3.82Å; Y217-L221 VanDerWaalsContact O-CB 3.28Å; Y217-L221 WeakPolarHBondContact O-CB 3.49Å; Y217-L221 PolarHBondContact O-N 3.28Å; A218-L221 PolarHBondContact O-N 3.29Å; G219-L221 PolarHBondContact O-N 3.26Å; L221-S224 WeakPolarHBondContact O-CB 3.29Å; L221-S224 PolarHBondContact O-N 2.88Å; L221-V225 HydrophobicContact CD1-CG1 4.19Å; L221-V225 WeakPolarHBondContact O-CG1 3.41Å; L221-V225 PolarHBondContact O-N 3.23Å |
| 222 | L | 96.8 | Very high | 89.3 | Confident | 47 Ų | 47 | 16.6 Ų | 16.6 | 25% | 0.246 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | -177.8 | -74.5 | 177.2 | 0 | 0 | 0 | 112.7 | A180 I183 L187 A218 G219 S224 V225 S226 | A180-L222 HydrophobicContact CB-CD2 4.34Å; A180-L222 WeakPolarHBondContact O-CB 3.46Å; I183-L222 HydrophobicContact CB-CD1 3.94Å; I183-L222 HydrophobicContact CG2-CD1 3.47Å; I183-L222 VanDerWaalsContact CG2-CD1 3.47Å; L187-L222 HydrophobicContact CD1-CD1 3.81Å; A218-L222 WeakPolarHBondContact O-CB 3.43Å; A218-L222 WeakPolarHBondContact O-CG 3.42Å; A218-L222 PolarHBondContact O-N 3.35Å; G219-L222 PolarHBondContact O-N 2.91Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-V225 HydrophobicContact CD2-CG2 4.5Å; L222-V225 VanDerWaalsContact O-CG2 3.25Å; L222-V225 WeakPolarHBondContact O-CG2 3.38Å; L222-S226 PolarHBondContact O-N 3.38Å |
| 223 | I | 96.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.4 | -41.7 | 171.8 | -67 | 170.9 | 0 | 0 | 0 | 110.1 | I75 Y109 F113 F188 G219 S226 | I75-I223 HydrophobicContact CD1-CG2 3.76Å; I75-I223 HydrophobicContact CG2-CG2 3.98Å; Y109-I223 HydrophobicContact CD1-CG2 4.39Å; Y109-I223 HydrophobicContact CD2-CD1 3.84Å; Y109-I223 HydrophobicContact CD2-CG2 4.5Å; Y109-I223 HydrophobicContact CE1-CG2 4.13Å; Y109-I223 HydrophobicContact CE2-CD1 3.74Å; Y109-I223 HydrophobicContact CE2-CG2 4.22Å; F113-I223 HydrophobicContact CZ-CG1 4.5Å; F188-I223 HydrophobicContact CD2-CD1 4.22Å; G219-I223 WeakPolarHBondContact O-CG1 3.34Å; G219-I223 PolarHBondContact O-N 3.19Å; I223-S226 VanDerWaalsContact O-CB 3.3Å; I223-S226 WeakPolarHBondContact O-CB 3.32Å; I223-S226 PolarHBondContact O-N 2.85Å; I223-S226 PolarHBondContact O-OG 3.03Å |
| 224 | S | 95.8 | Very high | 86 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.5 | -46.2 | 179.4 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | Q220 L221 L222 S226 V227 | Q220-S224 VanDerWaalsContact O-CB 3.25Å; Q220-S224 WeakPolarHBondContact O-CB 3.45Å; Q220-S224 PolarHBondContact O-N 3.03Å; Q220-S224 PolarHBondContact O-OG 3.19Å; L221-S224 WeakPolarHBondContact O-CB 3.29Å; L221-S224 PolarHBondContact O-N 2.88Å; L222-S224 VanDerWaalsContact C-N 3.33Å; S224-S226 PolarHBondContact O-N 3.22Å; S224-V227 WeakPolarHBondContact O-CG2 3.32Å; S224-V227 PolarHBondContact O-N 3.22Å |
| 225 | V | 93.2 | Very high | 84.5 | Confident | 11 Ų | 11 | 20.1 Ų | 20.1 | 7% | 0.067 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.3 | -18.5 | 178.3 | -60.4 | 0 | 0 | 0 | 0 | 112.7 | L16 L20 F57 W176 A180 L221 L222 V227 V228 | L16-V225 HydrophobicContact CD1-CB 4.49Å; L16-V225 HydrophobicContact CD1-CG1 4.46Å; L20-V225 HydrophobicContact CD1-CG1 3.93Å; L20-V225 HydrophobicContact CD2-CG1 4.36Å; F57-V225 HydrophobicContact CE1-CG1 4.34Å; F57-V225 HydrophobicContact CZ-CG1 4.21Å; W176-V225 HydrophobicContact CH2-CB 4.18Å; W176-V225 HydrophobicContact CH2-CG2 4.49Å; W176-V225 WeakPolarHBondContact CH2-O 3.39Å; W176-V225 HydrophobicContact CZ3-CB 4.08Å; W176-V225 HydrophobicContact CZ3-CG2 3.9Å; A180-V225 HydrophobicContact CB-CG2 4Å; L221-V225 HydrophobicContact CD1-CG1 4.19Å; L221-V225 WeakPolarHBondContact O-CG1 3.41Å; L221-V225 PolarHBondContact O-N 3.23Å; L222-V225 HydrophobicContact CD2-CG2 4.5Å; L222-V225 VanDerWaalsContact O-CG2 3.25Å; L222-V225 WeakPolarHBondContact O-CG2 3.38Å; V225-V227 PolarHBondContact O-N 2.89Å; V225-V227 VanDerWaalsContact O-N 3.14Å; V225-V228 WeakPolarHBondContact O-CB 3.42Å; V225-V228 WeakPolarHBondContact O-CG2 3.43Å; V225-V228 PolarHBondContact O-N 3.14Å; V225-V228 VanDerWaalsContact O-N 3.13Å |
| 226 | S | 92.4 | Very high | 82.8 | Confident | 6 Ų | 6 | 22.3 Ų | 22.3 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -62.6 | -18.6 | 175.1 | 81.2 | 0 | 0 | 0 | 0 | 113.6 | Y71 T177 L222 I223 S224 V228 | Y71-S226 PolarHBondContact OH-OG 2.88Å; T177-S226 WeakPolarHBondContact CB-O 3.25Å; T177-S226 WeakPolarHBondContact CG2-O 3.5Å; T177-S226 WeakPolarHBondContact O-CB 3.34Å; L222-S226 PolarHBondContact O-N 3.38Å; I223-S226 VanDerWaalsContact O-CB 3.3Å; I223-S226 WeakPolarHBondContact O-CB 3.32Å; I223-S226 PolarHBondContact O-N 2.85Å; I223-S226 PolarHBondContact O-OG 3.03Å; S224-S226 PolarHBondContact O-N 3.22Å; S226-V228 VanDerWaalsContact C-N 3.27Å; S226-V228 PolarHBondContact O-N 2.58Å |
| 227 | V | 90.9 | Very high | 80.8 | Confident | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -74.1 | -17.9 | 177.3 | -48.3 | 0 | 0 | 0 | 0 | 112.8 | F57 V58 Y71 I75 S224 V225 D229 S230 | F57-V227 HydrophobicContact CE1-CG2 4.4Å; V58-V227 HydrophobicContact CG1-CG1 4.05Å; V58-V227 HydrophobicContact CG1-CG2 4.33Å; V58-V227 HydrophobicContact CG2-CG1 4.27Å; V58-V227 HydrophobicContact CG2-CG2 4.2Å; Y71-V227 HydrophobicContact CD1-CG1 4.29Å; Y71-V227 HydrophobicContact CE1-CG1 4.02Å; I75-V227 HydrophobicContact CB-CG1 3.97Å; I75-V227 HydrophobicContact CG1-CG1 4.06Å; I75-V227 HydrophobicContact CG2-CG1 3.89Å; S224-V227 WeakPolarHBondContact O-CG2 3.32Å; S224-V227 PolarHBondContact O-N 3.22Å; V225-V227 PolarHBondContact O-N 2.89Å; V225-V227 VanDerWaalsContact O-N 3.14Å; V227-D229 PolarHBondContact O-N 2.92Å; V227-D229 VanDerWaalsContact O-N 3.15Å; V227-S230 WeakPolarHBondContact O-CB 3.22Å; V227-S230 PolarHBondContact O-N 3.39Å; V227-S230 VanDerWaalsContact O-N 3.16Å; V227-S230 PolarHBondContact O-OG 3.3Å |
| 228 | V | 83.7 | Confident | 78.8 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -67.1 | -20.6 | -168.5 | 175 | 0 | 0 | 0 | 0 | 113.6 | L16 F57 W176 V225 S226 S230 H231 L232 | L16-V228 HydrophobicContact CD1-CG1 4.3Å; L16-V228 HydrophobicContact CD1-CG2 4.13Å; L16-V228 HydrophobicContact CD2-CB 4.29Å; L16-V228 HydrophobicContact CD2-CG1 3.79Å; L16-V228 HydrophobicContact CD2-CG2 3.49Å; L16-V228 VanDerWaalsContact CD2-CG2 3.49Å; L16-V228 HydrophobicContact CG-CG1 4.36Å; L16-V228 HydrophobicContact CG-CG2 4.42Å; F57-V228 HydrophobicContact CE1-CG2 3.99Å; F57-V228 HydrophobicContact CZ-CG2 3.54Å; W176-V228 HydrophobicContact CH2-CB 3.93Å; W176-V228 HydrophobicContact CH2-CG1 4.34Å; W176-V228 HydrophobicContact CH2-CG2 4.37Å; W176-V228 HydrophobicContact CZ2-CB 3.92Å; W176-V228 HydrophobicContact CZ2-CG1 4.01Å; V225-V228 WeakPolarHBondContact O-CB 3.42Å; V225-V228 WeakPolarHBondContact O-CG2 3.43Å; V225-V228 PolarHBondContact O-N 3.14Å; V225-V228 VanDerWaalsContact O-N 3.13Å; S226-V228 VanDerWaalsContact C-N 3.27Å; S226-V228 PolarHBondContact O-N 2.58Å; V228-S230 PolarHBondContact O-N 3.49Å; V228-S230 VanDerWaalsContact O-N 3.17Å; V228-H231 WeakPolarHBondContact O-CB 3.24Å; V228-H231 PolarHBondContact O-N 3.29Å; V228-L232 HydrophobicContact CG1-CD1 3.79Å; V228-L232 HydrophobicContact CG1-CG 4.08Å; V228-L232 PolarHBondContact O-N 3.27Å; V228-L232 VanDerWaalsContact O-N 3.13Å |
| 229 | D | 70.7 | Confident | 76.6 | Confident | 53 Ų | 53 | 31.4 Ų | 31.4 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.8 | -30.3 | 175.5 | -162 | 43.3 | 0 | 0 | 0 | 111.5 | T177 V227 H231 L232 T233 | T177-D229 HydrophobicContact CG2-CB 3.74Å; V227-D229 PolarHBondContact O-N 2.92Å; V227-D229 VanDerWaalsContact O-N 3.15Å; D229-H231 VanDerWaalsContact C-N 3.34Å; D229-H231 PolarHBondContact O-N 2.84Å; D229-L232 PolarHBondContact O-N 3.38Å; D229-T233 WeakPolarHBondContact O-CB 3.38Å; D229-T233 VanDerWaalsContact O-CG2 3.23Å; D229-T233 WeakPolarHBondContact O-CG2 3.31Å; D229-T233 PolarHBondContact O-N 3.32Å; D229-T233 PolarHBondContact O-OG1 3.12Å |
| 230 | S | 58.4 | Low | 74.1 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 173.3 | 61.4 | 0 | 0 | 0 | 0 | 113 | Y61 N67 V227 V228 T233 S234 | Y61-S230 PolarHBondContact O-OG 3.1Å; N67-S230 WeakPolarHBondContact O-CB 3.14Å; V227-S230 WeakPolarHBondContact O-CB 3.22Å; V227-S230 PolarHBondContact O-N 3.39Å; V227-S230 VanDerWaalsContact O-N 3.16Å; V227-S230 PolarHBondContact O-OG 3.3Å; V228-S230 PolarHBondContact O-N 3.49Å; V228-S230 VanDerWaalsContact O-N 3.17Å; S230-T233 WeakPolarHBondContact CA-OG1 3.38Å; S230-T233 PolarHBondContact O-OG1 3.17Å; S230-S234 WeakPolarHBondContact O-CB 3.28Å; S230-S234 PolarHBondContact O-N 2.96Å; S230-S234 PolarHBondContact O-OG 3.19Å |
| 231 | H | 61.2 | Low | 71.6 | Confident | 27 Ų | 27 | 47.3 Ų | 47.3 | 13% | 0.125 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72 | -42.7 | -179.8 | -178.5 | -89.1 | 0 | 0 | 0 | 112 | Y61 I65 V228 D229 S234 I235 | Y61-H231 AromaticContact CD1-CD2 3.88Å; I65-H231 HydrophobicContact CD1-CB 3.25Å; I65-H231 WeakPolarHBondContact CD1-CD2 3.3Å; V228-H231 WeakPolarHBondContact O-CB 3.24Å; V228-H231 PolarHBondContact O-N 3.29Å; D229-H231 VanDerWaalsContact C-N 3.34Å; D229-H231 PolarHBondContact O-N 2.84Å; H231-S234 PolarHBondContact O-N 3.18Å; H231-S234 PolarHBondContact O-OG 3.5Å; H231-I235 WeakPolarHBondContact CE1-CD1 3.4Å; H231-I235 WeakPolarHBondContact O-CG1 3.38Å; H231-I235 PolarHBondContact O-N 3.36Å |
| 232 | L | 64.5 | Low | 69.1 | Low | 14 Ų | 14 | 54.4 Ų | 54.4 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.6 | -35.9 | -177.8 | -63.4 | 166.1 | 0 | 0 | 0 | 111 | I7 V12 W176 V228 D229 K236 | I7-L232 HydrophobicContact CD1-CB 3.44Å; I7-L232 VanDerWaalsContact CD1-CB 3.44Å; I7-L232 HydrophobicContact CD1-CD1 3.87Å; I7-L232 HydrophobicContact CD1-CG 4.19Å; I7-L232 HydrophobicContact CG1-CB 4.18Å; I7-L232 HydrophobicContact CG2-CD1 4.05Å; I7-L232 HydrophobicContact CG2-CD2 4.03Å; I7-L232 HydrophobicContact CG2-CG 4.46Å; V12-L232 HydrophobicContact CG2-CD1 3.96Å; W176-L232 HydrophobicContact CZ2-CD1 4.45Å; V228-L232 HydrophobicContact CG1-CD1 3.79Å; V228-L232 HydrophobicContact CG1-CG 4.08Å; V228-L232 PolarHBondContact O-N 3.27Å; V228-L232 VanDerWaalsContact O-N 3.13Å; D229-L232 PolarHBondContact O-N 3.38Å; L232-K236 WeakPolarHBondContact O-CG 3.44Å; L232-K236 PolarHBondContact O-N 3.45Å |
| 233 | T | 61.1 | Low | 66.6 | Low | 43 Ų | 43 | 59.4 Ų | 59.4 | 26% | 0.264 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69 | -37.4 | 172.1 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | N67 D229 S230 K236 A237 | N67-T233 WeakPolarHBondContact ND2-CB 3.22Å; N67-T233 PolarHBondContact ND2-OG1 3.44Å; D229-T233 WeakPolarHBondContact O-CB 3.38Å; D229-T233 VanDerWaalsContact O-CG2 3.23Å; D229-T233 WeakPolarHBondContact O-CG2 3.31Å; D229-T233 PolarHBondContact O-N 3.32Å; D229-T233 PolarHBondContact O-OG1 3.12Å; S230-T233 WeakPolarHBondContact CA-OG1 3.38Å; S230-T233 PolarHBondContact O-OG1 3.17Å; T233-K236 PolarHBondContact O-N 3.42Å; T233-A237 PolarHBondContact O-N 3.23Å |
| 234 | S | 59.9 | Low | 64.2 | Low | 34 Ų | 34 | 68.1 Ų | 68.1 | 24% | 0.238 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 175.7 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | I65 S230 H231 K236 A237 S238 | I65-S234 WeakPolarHBondContact CG2-OG 3.46Å; S230-S234 WeakPolarHBondContact O-CB 3.28Å; S230-S234 PolarHBondContact O-N 2.96Å; S230-S234 PolarHBondContact O-OG 3.19Å; H231-S234 PolarHBondContact O-N 3.18Å; H231-S234 PolarHBondContact O-OG 3.5Å; S234-K236 VanDerWaalsContact C-N 3.26Å; S234-K236 PolarHBondContact O-N 3.46Å; S234-A237 PolarHBondContact O-N 3.24Å; S234-S238 PolarHBondContact O-N 2.89Å; S234-S238 VanDerWaalsContact O-N 3.08Å |
| 235 | I | 63.6 | Low | 61.7 | Low | 94 Ų | 94 | 77.1 Ų | 77.1 | 48% | 0.482 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.2 | -37.5 | 174.2 | -73.2 | 178.5 | 0 | 0 | 0 | 111 | H231 P239 | H231-I235 WeakPolarHBondContact CE1-CD1 3.4Å; H231-I235 WeakPolarHBondContact O-CG1 3.38Å; H231-I235 PolarHBondContact O-N 3.36Å; I235-P239 VanDerWaalsContact O-CD 3.22Å; I235-P239 WeakPolarHBondContact O-CD 3.3Å |
| 236 | K | 60.4 | Low | 59 | Low | 71 Ų | 71 | 88.9 Ų | 88.9 | 31% | 0.309 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -73.4 | -24.4 | 176.9 | -77.7 | -177.3 | 171.1 | -170.7 | 0 | 114.1 | L4 E5 I7 L232 T233 S234 P239 | L4-K236 HydrophobicContact CD2-CD 3.77Å; E5-K236 PolarHBondContact O-NZ 3.13Å; I7-K236 HydrophobicContact CG1-CD 4.46Å; L232-K236 WeakPolarHBondContact O-CG 3.44Å; L232-K236 PolarHBondContact O-N 3.45Å; T233-K236 PolarHBondContact O-N 3.42Å; S234-K236 VanDerWaalsContact C-N 3.26Å; S234-K236 PolarHBondContact O-N 3.46Å; K236-P239 WeakPolarHBondContact O-CD 3.39Å |
| 237 | A | 58 | Low | 57.4 | Low | 65 Ų | 65 | 93 Ų | 93 | 54% | 0.537 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -82.6 | -28.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | T233 S234 | T233-A237 PolarHBondContact O-N 3.23Å; S234-A237 PolarHBondContact O-N 3.24Å |
| 238 | S | 55.1 | Low | 55.6 | Low | 82 Ų | 82 | 97.8 Ų | 97.8 | 57% | 0.573 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -63.3 | -29.5 | 179 | -158.1 | 0 | 0 | 0 | 0 | 117.4 | S234 Y240 H241 | S234-S238 PolarHBondContact O-N 2.89Å; S234-S238 VanDerWaalsContact O-N 3.08Å; S238-Y240 PolarHBondContact O-N 3.27Å; S238-H241 PolarHBondContact O-N 3.36Å |
| 239 | P | 51 | Low | 54 | Low | 84 Ų | 84 | 103.2 Ų | 103.2 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -71.8 | -11.9 | -177.6 | -12.6 | 29.7 | 0 | 0 | 0 | 112.9 | I235 K236 | I235-P239 VanDerWaalsContact O-CD 3.22Å; I235-P239 WeakPolarHBondContact O-CD 3.3Å; K236-P239 WeakPolarHBondContact O-CD 3.39Å |
| 240 | Y | 46.4 | Very low | 53.1 | Low | 173 Ų | 173 | 106.1 Ų | 106.1 | 68% | 0.678 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -85.3 | -4.9 | 179.7 | -105.3 | -82.9 | 0 | 0 | 0 | 114.3 | S238 | S238-Y240 PolarHBondContact O-N 3.27Š|
| 241 | H | 45.2 | Very low | 52.7 | Low | 161 Ų | 161 | 112.6 Ų | 112.6 | 75% | 0.745 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -103.1 | -10.1 | -176.6 | -111 | -64.5 | 0 | 0 | 0 | 115.2 | S238 | S238-H241 PolarHBondContact O-N 3.36Š|
| 242 | E | 45 | Very low | 52.2 | Low | 172 Ų | 172 | 118.3 Ų | 118.3 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -92.9 | -17.3 | 176.2 | -75.4 | -176.6 | 161 | 0 | 0 | 113.6 | K244 | E242-K244 PolarHBondContact O-N 3.31Š|
| 243 | D | 44.8 | Very low | 51.3 | Low | 153 Ų | 153 | 125.8 Ų | 125.8 | 82% | 0.818 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 11.5 | -179.4 | -113.5 | -4.1 | 0 | 0 | 0 | 114.9 | ||
| 244 | K | 46.3 | Very low | 50.5 | Low | 182 Ų | 182 | 132.2 Ų | 132.2 | 79% | 0.791 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 20.6 | 173.9 | -77.3 | -164.2 | 176.4 | -173.6 | 0 | 113.9 | E242 | E242-K244 PolarHBondContact O-N 3.31Š|
| 245 | K | 44.2 | Very low | 49.8 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | trans | -124.1 | 60.5 | 170.8 | -75.5 | -171.5 | 176.6 | -176.7 | 0 | 110.8 | ||||
| 246 | Q | 37.1 | Very low | 48.5 | Very low | 257 Ų | 257 | 144.5 Ų | 144.5 | 100% | 1.201 | 71% | 0.712 | S | S | * | * | trans | -140 | 0 | 152.6 | -81.7 | -172.5 | -16.3 | 0 | 0 | 106.9 |
Retrieved 246 of 246 residues in 97.2 ms
(Link to these results)