| 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 | 34.4 | Very low | 47 | Very low | 237 Ų | 237 | 115.9 Ų | 115.9 | 100% | 1.167 | 69% | 0.688 | S | S | * | * | 0 | 19 | 0 | -126.9 | -177.5 | -108.8 | 0 | 0 | 115.3 | |||||
| 2 | A | 36.8 | Very low | 49.2 | Very low | 97 Ų | 97 | 120.9 Ų | 120.9 | 80% | 0.802 | 70% | 0.695 | S | S | * | * | trans | -111.1 | 7.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 3 | C | 41.7 | Very low | 51.2 | Low | 86 Ų | 86 | 117.1 Ų | 117.1 | 58% | 0.581 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -116.3 | -8.1 | 179.8 | -80.9 | 0 | 0 | 0 | 0 | 116.2 | N5 | C3-N5 VanDerWaalsContact C-N 3.3Å; C3-N5 PolarHBondContact O-N 3.39Å |
| 4 | C | 43.1 | Very low | 53.2 | Low | 107 Ų | 107 | 116.7 Ų | 116.7 | 72% | 0.723 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -6.3 | 175.8 | -92.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 5 | N | 39.5 | Very low | 55 | Low | 155 Ų | 155 | 117.5 Ų | 117.5 | 83% | 0.829 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | 1.2 | -178.1 | -89.6 | -0.8 | 0 | 0 | 0 | 115 | C3 K7 | C3-N5 VanDerWaalsContact C-N 3.3Å; C3-N5 PolarHBondContact O-N 3.39Å; N5-K7 PolarHBondContact O-N 3.01Å |
| 6 | N | 42 | Very low | 57.1 | Low | 134 Ų | 134 | 117 Ų | 117 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | trans | -88.4 | 43.7 | 162.5 | -136.6 | 11.2 | 0 | 0 | 0 | 110.5 | G8 | N6-G8 PolarHBondContact O-N 3.17Š| ||
| 7 | K | 47.5 | Very low | 59.1 | Low | 182 Ų | 182 | 118.5 Ų | 118.5 | 79% | 0.791 | 65% | 0.652 | S | S | * | * | trans | -56.7 | 88.5 | 140.6 | -74.3 | -173.8 | -177.2 | 178.7 | 0 | 103.1 | N5 A9 | N5-K7 PolarHBondContact O-N 3.01Å; K7-A9 PolarHBondContact O-N 3.29Å | ||
| 8 | G | 51.9 | Low | 60.8 | Low | 43 Ų | 43 | 112.9 Ų | 112.9 | 44% | 0.443 | 63% | 0.627 | S | S | . | * | trans | -44.6 | 114.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 104.2 | N6 I10 | N6-G8 PolarHBondContact O-N 3.17Å; G8-I10 PolarHBondContact O-N 2.86Å | ||
| 9 | A | 54 | Low | 62.7 | Low | 96 Ų | 96 | 113.5 Ų | 113.5 | 79% | 0.793 | 62% | 0.618 | S | S | * | * | trans | -64.4 | 84.1 | 172 | 0 | 0 | 0 | 0 | 0 | 102.7 | K7 N11 | K7-A9 PolarHBondContact O-N 3.29Å; A9-N11 VanDerWaalsContact C-N 3.28Å; A9-N11 WeakPolarHBondContact O-CA 3.42Å; A9-N11 PolarHBondContact O-N 3.12Å | ||
| 10 | I | 58 | Low | 64.4 | Low | 61 Ų | 61 | 112.1 Ų | 112.1 | 31% | 0.313 | 61% | 0.613 | S | S | . | * | trans | -51.2 | 110.3 | 173.9 | -67.4 | 174.8 | 0 | 0 | 0 | 101.3 | G8 K12 Q14 K15 T147 | G8-I10 PolarHBondContact O-N 2.86Å; I10-K12 PolarHBondContact O-N 3.12Å; I10-Q14 HydrophobicContact CG2-CB 3.59Å; I10-K15 HydrophobicContact CB-CG 4.37Å; I10-K15 HydrophobicContact CG2-CG 3.66Å; I10-T147 VanDerWaalsContact CD1-O 3.25Å; I10-T147 WeakPolarHBondContact CD1-O 3.48Å | ||
| 11 | N | 68.1 | Low | 66 | Low | 77 Ų | 77 | 108.2 Ų | 108.2 | 41% | 0.412 | 59% | 0.594 | S | S | . | * | trans | -58.9 | 143.9 | -165.7 | 60.5 | 36.6 | 0 | 0 | 0 | 105.9 | A9 C13 Q14 K15 | A9-N11 VanDerWaalsContact C-N 3.28Å; A9-N11 WeakPolarHBondContact O-CA 3.42Å; A9-N11 PolarHBondContact O-N 3.12Å; N11-C13 CarbonylContact O-C 3.46Å; N11-C13 PolarHBondContact O-N 2.72Å; N11-C13 WeakPolarHBondContact OD1-CB 3.4Å; N11-Q14 PolarHBondContact O-N 3.04Å; N11-Q14 WeakPolarHBondContact OD1-CA 3.38Å; N11-Q14 WeakPolarHBondContact OD1-CB 3.36Å; N11-Q14 WeakPolarHBondContact OD1-CG 3.33Å; N11-Q14 PolarHBondContact OD1-N 2.89Å; N11-Q14 PolarHBondContact OD1-OE1 3.2Å; N11-K15 PolarHBondContact O-N 3.4Å | ||
| 12 | K | 73 | Confident | 69 | Low | 176 Ų | 176 | 97 Ų | 97 | 77% | 0.765 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -50.8 | -32.2 | -175.4 | -166.6 | -179.9 | -179.5 | -177.1 | 0 | 111 | I10 K15 I16 | I10-K12 PolarHBondContact O-N 3.12Å; K12-K15 PolarHBondContact O-N 3.22Å; K12-I16 HydrophobicContact CG-CD1 4.47Å; K12-I16 WeakPolarHBondContact O-CG1 3.4Å; K12-I16 PolarHBondContact O-N 3.47Å |
| 13 | C | 75.5 | Confident | 71.9 | Confident | 71 Ų | 71 | 95.8 Ų | 95.8 | 48% | 0.48 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.8 | -51.1 | 172.3 | -57.8 | 0 | 0 | 0 | 0 | 113.7 | N11 K15 I16 F17 | N11-C13 CarbonylContact O-C 3.46Å; N11-C13 PolarHBondContact O-N 2.72Å; N11-C13 WeakPolarHBondContact OD1-CB 3.4Å; C13-K15 VanDerWaalsContact C-N 3.27Å; C13-K15 PolarHBondContact O-N 3.11Å; C13-I16 PolarHBondContact O-N 3.49Å; C13-F17 HydrophobicContact CB-CD2 4.03Å; C13-F17 HydrophobicContact CB-CE2 4.01Å; C13-F17 WeakPolarHBondContact O-CD2 3.26Å; C13-F17 PolarHBondContact O-N 3.46Å |
| 14 | Q | 78.8 | Confident | 74.5 | Confident | 112 Ų | 112 | 96.4 Ų | 96.4 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | -179.6 | -86.5 | 167.9 | -27 | 0 | 0 | 111 | I10 N11 I16 G18 | I10-Q14 HydrophobicContact CG2-CB 3.59Å; N11-Q14 PolarHBondContact O-N 3.04Å; N11-Q14 WeakPolarHBondContact OD1-CA 3.38Å; N11-Q14 WeakPolarHBondContact OD1-CB 3.36Å; N11-Q14 WeakPolarHBondContact OD1-CG 3.33Å; N11-Q14 PolarHBondContact OD1-N 2.89Å; N11-Q14 PolarHBondContact OD1-OE1 3.2Å; Q14-I16 VanDerWaalsContact C-N 3.31Å; Q14-I16 PolarHBondContact O-N 3.24Å; Q14-G18 PolarHBondContact O-N 2.89Å |
| 15 | K | 81.5 | Confident | 77.1 | Confident | 129 Ų | 129 | 92.2 Ų | 92.2 | 56% | 0.561 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.8 | -39.2 | 175.1 | -65 | -168.8 | 179.7 | -178.4 | 0 | 112.1 | I10 N11 K12 C13 | I10-K15 HydrophobicContact CB-CG 4.37Å; I10-K15 HydrophobicContact CG2-CG 3.66Å; N11-K15 PolarHBondContact O-N 3.4Å; K12-K15 PolarHBondContact O-N 3.22Å; C13-K15 VanDerWaalsContact C-N 3.27Å; C13-K15 PolarHBondContact O-N 3.11Å |
| 16 | I | 87.5 | Confident | 79.9 | Confident | 109 Ų | 109 | 88.9 Ų | 88.9 | 56% | 0.559 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -73.9 | -49.6 | 178.9 | -65.4 | 166.8 | 0 | 0 | 0 | 110.5 | K12 C13 Q14 G18 W19 | K12-I16 HydrophobicContact CG-CD1 4.47Å; K12-I16 WeakPolarHBondContact O-CG1 3.4Å; K12-I16 PolarHBondContact O-N 3.47Å; C13-I16 PolarHBondContact O-N 3.49Å; Q14-I16 VanDerWaalsContact C-N 3.31Å; Q14-I16 PolarHBondContact O-N 3.24Å; I16-G18 VanDerWaalsContact C-N 3.25Å; I16-G18 PolarHBondContact O-N 2.81Å; I16-W19 PolarHBondContact O-N 2.95Å; I16-W19 VanDerWaalsContact O-N 3.08Å |
| 17 | F | 90.8 | Very high | 82.6 | Confident | 142 Ų | 142 | 88.1 Ų | 88.1 | 62% | 0.623 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -63.9 | -29.7 | -179 | -74.6 | -64 | 0 | 0 | 0 | 112.8 | C13 W19 V20 | C13-F17 HydrophobicContact CB-CD2 4.03Å; C13-F17 HydrophobicContact CB-CE2 4.01Å; C13-F17 WeakPolarHBondContact O-CD2 3.26Å; C13-F17 PolarHBondContact O-N 3.46Å; F17-W19 PolarHBondContact O-N 3.33Å; F17-V20 HydrophobicContact CD1-CG2 4.39Å; F17-V20 WeakPolarHBondContact O-CB 3.37Å; F17-V20 PolarHBondContact O-N 2.82Å; F17-V20 VanDerWaalsContact O-N 3.11Å |
| 18 | G | 91.2 | Very high | 85 | Confident | 19 Ų | 19 | 81 Ų | 81 | 20% | 0.196 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -23.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q14 I16 N163 | Q14-G18 PolarHBondContact O-N 2.89Å; I16-G18 VanDerWaalsContact C-N 3.25Å; I16-G18 PolarHBondContact O-N 2.81Å; G18-N163 WeakPolarHBondContact O-CB 3.27Å; G18-N163 VanDerWaalsContact O-CG 3.3Å |
| 19 | W | 96.1 | Very high | 87.2 | Confident | 123 Ų | 123 | 79.4 Ų | 79.4 | 47% | 0.466 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -13.1 | 177.1 | -74.9 | 101.7 | 0 | 0 | 0 | 114.2 | I16 F17 V22 V23 I73 N163 | I16-W19 PolarHBondContact O-N 2.95Å; I16-W19 VanDerWaalsContact O-N 3.08Å; F17-W19 PolarHBondContact O-N 3.33Å; W19-V22 HydrophobicContact CE3-CB 3.86Å; W19-V22 HydrophobicContact CE3-CG1 3.77Å; W19-V22 HydrophobicContact CE3-CG2 4.11Å; W19-V22 HydrophobicContact CZ3-CB 4.35Å; W19-V22 HydrophobicContact CZ3-CG1 3.83Å; W19-V22 HydrophobicContact CZ3-CG2 4.44Å; W19-V22 WeakPolarHBondContact O-CB 3.35Å; W19-V22 PolarHBondContact O-N 3.45Å; W19-V22 VanDerWaalsContact O-N 3.13Å; W19-V23 WeakPolarHBondContact O-CG2 3.39Å; W19-V23 PolarHBondContact O-N 2.94Å; W19-I73 HydrophobicContact CH2-CG2 3.78Å; W19-I73 HydrophobicContact CZ3-CG2 3.94Å; W19-N163 VanDerWaalsContact CE2-ND2 3.29Å; W19-N163 PolarHBondContact NE1-ND2 3.04Å; W19-N163 VanDerWaalsContact NE1-ND2 3.19Å |
| 20 | V | 96.7 | Very high | 89.3 | Confident | 85 Ų | 85 | 77 Ų | 77 | 52% | 0.515 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -58.2 | -48 | -178.5 | 173.1 | 0 | 0 | 0 | 0 | 112.2 | F17 V22 V23 F24 | F17-V20 HydrophobicContact CD1-CG2 4.39Å; F17-V20 WeakPolarHBondContact O-CB 3.37Å; F17-V20 PolarHBondContact O-N 2.82Å; F17-V20 VanDerWaalsContact O-N 3.11Å; V20-V22 VanDerWaalsContact C-N 3.27Å; V20-V22 PolarHBondContact O-N 3Å; V20-V23 PolarHBondContact O-N 3.34Å; V20-F24 WeakPolarHBondContact O-CB 3.4Å; V20-F24 PolarHBondContact O-N 3.26Å |
| 21 | P | 97 | Very high | 91.2 | Very high | 32 Ų | 32 | 77.7 Ų | 77.7 | 21% | 0.208 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.3 | -35 | 176.5 | -21.6 | 34 | 0 | 0 | 0 | 112.9 | F24 I25 P160 W161 | P21-F24 PolarHBondContact O-N 2.99Å; P21-I25 PolarHBondContact O-N 3.43Å; P21-I25 VanDerWaalsContact O-N 3.12Å; P21-P160 HydrophobicContact CG-CB 4.42Å; P21-W161 HydrophobicContact CB-CD2 4.24Å; P21-W161 HydrophobicContact CB-CE3 3.63Å; P21-W161 HydrophobicContact CB-CZ3 3.99Å |
| 22 | V | 97.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.5 | -49.4 | 179.1 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | W19 V20 F24 I25 L26 Y69 I73 N163 | W19-V22 HydrophobicContact CE3-CB 3.86Å; W19-V22 HydrophobicContact CE3-CG1 3.77Å; W19-V22 HydrophobicContact CE3-CG2 4.11Å; W19-V22 HydrophobicContact CZ3-CB 4.35Å; W19-V22 HydrophobicContact CZ3-CG1 3.83Å; W19-V22 HydrophobicContact CZ3-CG2 4.44Å; W19-V22 WeakPolarHBondContact O-CB 3.35Å; W19-V22 PolarHBondContact O-N 3.45Å; W19-V22 VanDerWaalsContact O-N 3.13Å; V20-V22 VanDerWaalsContact C-N 3.27Å; V20-V22 PolarHBondContact O-N 3Å; V22-F24 VanDerWaalsContact C-N 3.27Å; V22-F24 PolarHBondContact O-N 3.37Å; V22-I25 PolarHBondContact O-N 3.35Å; V22-L26 HydrophobicContact CG1-CD1 4.32Å; V22-L26 WeakPolarHBondContact O-CG 3.33Å; V22-L26 PolarHBondContact O-N 2.87Å; V22-L26 VanDerWaalsContact O-N 3.11Å; V22-Y69 WeakPolarHBondContact CA-OH 3.22Å; V22-Y69 PolarHBondContact O-OH 3.23Å; V22-I73 HydrophobicContact CG1-CD1 3.75Å; V22-N163 HydrophobicContact CG2-CB 3.78Å |
| 23 | V | 97.6 | Very high | 93.9 | Very high | 72 Ų | 72 | 70.6 Ų | 70.6 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | W19 V20 I25 L26 L27 | W19-V23 WeakPolarHBondContact O-CG2 3.39Å; W19-V23 PolarHBondContact O-N 2.94Å; V20-V23 PolarHBondContact O-N 3.34Å; V23-I25 PolarHBondContact O-N 3.06Å; V23-L26 PolarHBondContact O-N 2.91Å; V23-L27 HydrophobicContact CG1-CD1 3.92Å; V23-L27 HydrophobicContact CG1-CG 4.18Å; V23-L27 WeakPolarHBondContact O-CG 3.4Å; V23-L27 PolarHBondContact O-N 3.13Å |
| 24 | F | 97.7 | Very high | 95 | Very high | 98 Ų | 98 | 72 Ų | 72 | 43% | 0.43 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 176.8 | 175.2 | -103.8 | 0 | 0 | 0 | 112.6 | V20 P21 V22 L26 L27 V28 W161 F223 | V20-F24 WeakPolarHBondContact O-CB 3.4Å; V20-F24 PolarHBondContact O-N 3.26Å; P21-F24 PolarHBondContact O-N 2.99Å; V22-F24 VanDerWaalsContact C-N 3.27Å; V22-F24 PolarHBondContact O-N 3.37Å; F24-L26 VanDerWaalsContact C-N 3.31Å; F24-L26 PolarHBondContact O-N 3.13Å; F24-L27 PolarHBondContact O-N 3.42Å; F24-V28 HydrophobicContact CD2-CG2 4.44Å; F24-V28 HydrophobicContact CE1-CG2 4.25Å; F24-V28 HydrophobicContact CE2-CG2 4.08Å; F24-V28 HydrophobicContact CZ-CG2 3.99Å; F24-V28 WeakPolarHBondContact O-CG2 3.39Å; F24-V28 PolarHBondContact O-N 2.63Å; F24-W161 AromaticContact CD1-CZ3 3.96Å; F24-W161 HydrophobicContact CD1-CZ3 3.96Å; F24-W161 HydrophobicContact CE1-CZ3 4.38Å; F24-F223 HydrophobicContact CE1-CE1 4.37Å; F24-F223 AromaticContact CE1-CZ 3.66Å; F24-F223 HydrophobicContact CE1-CZ 3.66Å; F24-F223 HydrophobicContact CZ-CZ 4.12Å |
| 25 | I | 97.5 | Very high | 95.9 | Very high | 20 Ų | 20 | 66.7 Ų | 66.7 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 175.5 | -69.4 | 173.9 | 0 | 0 | 0 | 111 | P21 V22 V23 L27 V28 A29 F65 Y69 W161 | P21-I25 PolarHBondContact O-N 3.43Å; P21-I25 VanDerWaalsContact O-N 3.12Å; V22-I25 PolarHBondContact O-N 3.35Å; V23-I25 PolarHBondContact O-N 3.06Å; I25-L27 PolarHBondContact O-N 3.07Å; I25-V28 PolarHBondContact O-N 2.59Å; I25-A29 WeakPolarHBondContact O-CB 3.33Å; I25-A29 PolarHBondContact O-N 3.24Å; I25-F65 HydrophobicContact CG2-CZ 4.21Å; I25-Y69 HydrophobicContact CB-CE1 4.19Å; I25-Y69 WeakPolarHBondContact CB-OH 3.43Å; I25-Y69 HydrophobicContact CD1-CE2 4.15Å; I25-Y69 WeakPolarHBondContact CD1-OH 3.22Å; I25-Y69 HydrophobicContact CG2-CD1 4.32Å; I25-Y69 HydrophobicContact CG2-CE1 3.66Å; I25-Y69 HydrophobicContact CG2-CE2 4.38Å; I25-W161 HydrophobicContact CD1-CB 3.93Å; I25-W161 HydrophobicContact CD1-CD2 4.23Å; I25-W161 HydrophobicContact CD1-CE3 3.6Å; I25-W161 HydrophobicContact CD1-CG 4.41Å; I25-W161 HydrophobicContact CD1-CZ3 4.45Å; I25-W161 HydrophobicContact CG1-CE3 3.98Å; I25-W161 HydrophobicContact CG1-CZ3 4.39Å |
| 26 | L | 97.5 | Very high | 96.7 | Very high | 85 Ų | 85 | 60.5 Ų | 60.5 | 45% | 0.445 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 178.3 | -67.1 | 174.3 | 0 | 0 | 0 | 112.3 | V22 V23 F24 A29 G30 Y69 | V22-L26 HydrophobicContact CG1-CD1 4.32Å; V22-L26 WeakPolarHBondContact O-CG 3.33Å; V22-L26 PolarHBondContact O-N 2.87Å; V22-L26 VanDerWaalsContact O-N 3.11Å; V23-L26 PolarHBondContact O-N 2.91Å; F24-L26 VanDerWaalsContact C-N 3.31Å; F24-L26 PolarHBondContact O-N 3.13Å; L26-A29 PolarHBondContact O-N 3.06Å; L26-G30 PolarHBondContact O-N 2.96Å; L26-Y69 HydrophobicContact CD2-CD1 4.21Å; L26-Y69 HydrophobicContact CD2-CE1 3.91Å; L26-Y69 HydrophobicContact CG-CE1 4.23Å |
| 27 | L | 98.3 | Very high | 97.3 | Very high | 117 Ų | 117 | 56.4 Ų | 56.4 | 61% | 0.613 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -66.4 | -43.5 | 175.6 | -71.5 | 174 | 0 | 0 | 0 | 111.7 | V23 F24 I25 G30 W31 | V23-L27 HydrophobicContact CG1-CD1 3.92Å; V23-L27 HydrophobicContact CG1-CG 4.18Å; V23-L27 WeakPolarHBondContact O-CG 3.4Å; V23-L27 PolarHBondContact O-N 3.13Å; F24-L27 PolarHBondContact O-N 3.42Å; I25-L27 PolarHBondContact O-N 3.07Å; L27-G30 PolarHBondContact O-N 2.82Å; L27-W31 WeakPolarHBondContact O-CB 3.25Å; L27-W31 PolarHBondContact O-N 2.85Å |
| 28 | V | 98.2 | Very high | 97.6 | Very high | 32 Ų | 32 | 54.8 Ų | 54.8 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 175.4 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | F24 I25 W31 S32 V219 F223 | F24-V28 HydrophobicContact CD2-CG2 4.44Å; F24-V28 HydrophobicContact CE1-CG2 4.25Å; F24-V28 HydrophobicContact CE2-CG2 4.08Å; F24-V28 HydrophobicContact CZ-CG2 3.99Å; F24-V28 WeakPolarHBondContact O-CG2 3.39Å; F24-V28 PolarHBondContact O-N 2.63Å; I25-V28 PolarHBondContact O-N 2.59Å; V28-W31 PolarHBondContact O-N 3.33Å; V28-S32 VanDerWaalsContact O-CB 3.29Å; V28-S32 WeakPolarHBondContact O-CB 3.18Å; V28-S32 PolarHBondContact O-N 2.75Å; V28-S32 PolarHBondContact O-OG 2.89Å; V28-V219 HydrophobicContact CG1-CG1 4.11Å; V28-F223 HydrophobicContact CG1-CE2 4.1Å; V28-F223 HydrophobicContact CG1-CZ 4.42Å; V28-F223 HydrophobicContact CG2-CE2 4.46Å; V28-F223 HydrophobicContact CG2-CZ 4.35Å |
| 29 | A | 97.8 | Very high | 98 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I25 L26 S32 Y33 F65 | I25-A29 WeakPolarHBondContact O-CB 3.33Å; I25-A29 PolarHBondContact O-N 3.24Å; L26-A29 PolarHBondContact O-N 3.06Å; A29-S32 WeakPolarHBondContact CA-OG 3.29Å; A29-S32 PolarHBondContact O-N 3.33Å; A29-S32 PolarHBondContact O-OG 3.31Å; A29-Y33 PolarHBondContact O-N 3.35Å; A29-F65 HydrophobicContact CB-CE1 4.28Å |
| 30 | G | 98.3 | Very high | 98.1 | Very high | 45 Ų | 45 | 48 Ų | 48 | 46% | 0.464 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L26 L27 Y33 Y34 | L26-G30 PolarHBondContact O-N 2.96Å; L27-G30 PolarHBondContact O-N 2.82Å; G30-Y33 WeakPolarHBondContact O-CB 3.28Å; G30-Y33 PolarHBondContact O-N 3.43Å; G30-Y34 PolarHBondContact O-N 2.92Å |
| 31 | W | 98.6 | Very high | 98.1 | Very high | 75 Ų | 75 | 44 Ų | 44 | 28% | 0.284 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.7 | -42.3 | 173.6 | 167.4 | 73.6 | 0 | 0 | 0 | 111.8 | L27 V28 Y33 Y34 A35 F215 L216 V219 | L27-W31 WeakPolarHBondContact O-CB 3.25Å; L27-W31 PolarHBondContact O-N 2.85Å; V28-W31 PolarHBondContact O-N 3.33Å; W31-Y33 PolarHBondContact O-N 3.44Å; W31-Y34 WeakPolarHBondContact O-CB 3.41Å; W31-Y34 PolarHBondContact O-N 3.5Å; W31-Y34 VanDerWaalsContact O-N 3.09Å; W31-A35 HydrophobicContact CZ2-CB 4.3Å; W31-A35 PolarHBondContact O-N 2.86Å; W31-F215 HydrophobicContact CH2-CB 3.94Å; W31-F215 HydrophobicContact CZ2-CB 3.93Å; W31-L216 HydrophobicContact CH2-CB 4.3Å; W31-V219 HydrophobicContact CH2-CB 4.33Å; W31-V219 HydrophobicContact CH2-CG2 4.12Å; W31-V219 HydrophobicContact CZ3-CB 4.02Å; W31-V219 HydrophobicContact CZ3-CG1 4.05Å; W31-V219 HydrophobicContact CZ3-CG2 4.09Å |
| 32 | S | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -32.6 | 177.8 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | V28 A29 Y36 Y184 | V28-S32 VanDerWaalsContact O-CB 3.29Å; V28-S32 WeakPolarHBondContact O-CB 3.18Å; V28-S32 PolarHBondContact O-N 2.75Å; V28-S32 PolarHBondContact O-OG 2.89Å; A29-S32 WeakPolarHBondContact CA-OG 3.29Å; A29-S32 PolarHBondContact O-N 3.33Å; A29-S32 PolarHBondContact O-OG 3.31Å; S32-Y36 WeakPolarHBondContact O-CB 3.48Å; S32-Y36 PolarHBondContact O-N 2.86Å; S32-Y184 PolarHBondContact OG-OH 2.87Å |
| 33 | Y | 98.6 | Very high | 98.1 | Very high | 99 Ų | 99 | 49.9 Ų | 49.9 | 39% | 0.388 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 170.9 | -179.5 | -87.6 | 0 | 0 | 0 | 111.7 | A29 G30 W31 V37 F58 H59 L62 | A29-Y33 PolarHBondContact O-N 3.35Å; G30-Y33 WeakPolarHBondContact O-CB 3.28Å; G30-Y33 PolarHBondContact O-N 3.43Å; W31-Y33 PolarHBondContact O-N 3.44Å; Y33-V37 HydrophobicContact CD1-CG2 4.44Å; Y33-V37 HydrophobicContact CD2-CG2 3.98Å; Y33-V37 HydrophobicContact CE1-CB 4.41Å; Y33-V37 HydrophobicContact CE1-CG2 4.26Å; Y33-V37 HydrophobicContact CE2-CG2 3.79Å; Y33-V37 HydrophobicContact CG-CG2 4.3Å; Y33-V37 VanDerWaalsContact O-CB 3.24Å; Y33-V37 WeakPolarHBondContact O-CB 3.45Å; Y33-V37 WeakPolarHBondContact O-CG2 3.38Å; Y33-V37 PolarHBondContact O-N 2.91Å; Y33-F58 AromaticContact CD2-CE1 3.74Å; Y33-F58 HydrophobicContact CD2-CE1 3.74Å; Y33-F58 HydrophobicContact CE2-CE1 4.38Å; Y33-F58 HydrophobicContact CG-CE1 4.44Å; Y33-H59 AromaticContact CE2-CD2 3.94Å; Y33-H59 AromaticContact CE2-NE2 3.41Å; Y33-H59 WeakPolarHBondContact CE2-NE2 3.37Å; Y33-H59 AromaticContact CZ-NE2 3.86Å; Y33-H59 PolarHBondContact OH-NE2 3.49Å; Y33-L62 HydrophobicContact CD2-CD2 3.56Å; Y33-L62 HydrophobicContact CE2-CD2 4.34Å; Y33-L62 HydrophobicContact CG-CD2 4.46Å |
| 34 | Y | 98.5 | Very high | 98 | Very high | 100 Ų | 100 | 47.9 Ų | 47.9 | 39% | 0.392 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -59.3 | -52.3 | 176.3 | 168.5 | -97.3 | 0 | 0 | 0 | 111.7 | G30 W31 Y36 Y38 S39 Q212 | G30-Y34 PolarHBondContact O-N 2.92Å; W31-Y34 WeakPolarHBondContact O-CB 3.41Å; W31-Y34 PolarHBondContact O-N 3.5Å; W31-Y34 VanDerWaalsContact O-N 3.09Å; Y34-Y36 VanDerWaalsContact C-N 3.33Å; Y34-Y36 PolarHBondContact O-N 3.45Å; Y34-Y38 AromaticContact CE2-CD1 3.71Å; Y34-Y38 HydrophobicContact CE2-CD1 3.71Å; Y34-Y38 HydrophobicContact CE2-CE1 4.43Å; Y34-Y38 HydrophobicContact CE2-CG 4.06Å; Y34-Y38 AromaticContact CZ-CD1 3.85Å; Y34-Y38 VanDerWaalsContact O-CB 3.31Å; Y34-Y38 WeakPolarHBondContact O-CB 3.33Å; Y34-Y38 PolarHBondContact O-N 2.96Å; Y34-S39 PolarHBondContact O-N 2.95Å; Y34-Q212 HydrophobicContact CE1-CG 4.14Å |
| 35 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -62.4 | -40.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | W31 S39 L40 Q212 L216 | W31-A35 HydrophobicContact CZ2-CB 4.3Å; W31-A35 PolarHBondContact O-N 2.86Å; A35-S39 WeakPolarHBondContact O-CB 3.32Å; A35-S39 PolarHBondContact O-N 2.92Å; A35-L40 PolarHBondContact O-N 3.41Å; A35-Q212 HydrophobicContact CB-CB 4.17Å; A35-L216 HydrophobicContact CB-CB 4.19Å; A35-L216 HydrophobicContact CB-CD1 4.25Å; A35-L216 HydrophobicContact CB-CD2 4.02Å; A35-L216 HydrophobicContact CB-CG 4.4Å |
| 36 | Y | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -77.2 | -49.6 | -179.3 | -165.6 | -82.5 | 0 | 0 | 0 | 112.7 | S32 Y34 L40 C41 F54 F58 F187 I188 T191 L216 | S32-Y36 WeakPolarHBondContact O-CB 3.48Å; S32-Y36 PolarHBondContact O-N 2.86Å; Y34-Y36 VanDerWaalsContact C-N 3.33Å; Y34-Y36 PolarHBondContact O-N 3.45Å; Y36-L40 HydrophobicContact CD2-CD2 3.94Å; Y36-L40 HydrophobicContact CE2-CD2 3.75Å; Y36-L40 HydrophobicContact CG-CD2 4.49Å; Y36-L40 WeakPolarHBondContact O-CB 3.22Å; Y36-C41 WeakPolarHBondContact CE1-SG 3.34Å; Y36-C41 PolarHBondContact O-N 3.01Å; Y36-C41 PolarHBondContact O-SG 2.73Å; Y36-F54 HydrophobicContact CE1-CB 4.19Å; Y36-F58 HydrophobicContact CD1-CB 3.89Å; Y36-F58 AromaticContact CD1-CD1 3.84Å; Y36-F58 HydrophobicContact CD1-CD1 3.84Å; Y36-F58 AromaticContact CD1-CD2 3.23Å; Y36-F58 HydrophobicContact CD1-CD2 3.23Å; Y36-F58 HydrophobicContact CD1-CE1 4.16Å; Y36-F58 AromaticContact CD1-CE2 3.6Å; Y36-F58 HydrophobicContact CD1-CE2 3.6Å; Y36-F58 AromaticContact CD1-CG 3.37Å; Y36-F58 HydrophobicContact CD1-CG 3.37Å; Y36-F58 HydrophobicContact CD1-CZ 4.06Å; Y36-F58 AromaticContact CD2-CD2 3.83Å; Y36-F58 HydrophobicContact CD2-CD2 3.83Å; Y36-F58 AromaticContact CD2-CE2 3.82Å; Y36-F58 HydrophobicContact CD2-CE2 3.82Å; Y36-F58 HydrophobicContact CE1-CB 3.54Å; Y36-F58 HydrophobicContact CE1-CD1 4.38Å; Y36-F58 AromaticContact CE1-CD2 3.5Å; Y36-F58 HydrophobicContact CE1-CD2 3.5Å; Y36-F58 VanDerWaalsContact CE1-CD2 3.5Å; Y36-F58 HydrophobicContact CE1-CE2 4.29Å; Y36-F58 AromaticContact CE1-CG 3.55Å; Y36-F58 HydrophobicContact CE1-CG 3.55Å; Y36-F58 HydrophobicContact CE2-CD2 4.07Å; Y36-F58 HydrophobicContact CE2-CE2 4.49Å; Y36-F58 AromaticContact CG-CD2 3.42Å; Y36-F58 HydrophobicContact CG-CD2 3.42Å; Y36-F58 VanDerWaalsContact CG-CD2 3.42Å; Y36-F58 HydrophobicContact CG-CE1 4.43Å; Y36-F58 AromaticContact CG-CE2 3.34Å; Y36-F58 HydrophobicContact CG-CE2 3.34Å; Y36-F58 HydrophobicContact CG-CG 4.03Å; Y36-F58 AromaticContact CG-CZ 3.9Å; Y36-F58 HydrophobicContact CG-CZ 3.9Å; Y36-F58 AromaticContact CZ-CD2 3.92Å; Y36-F187 HydrophobicContact CE1-CE1 4.34Å; Y36-F187 AromaticContact CZ-CE1 3.77Å; Y36-F187 WeakPolarHBondContact OH-CE1 3.42Å; Y36-I188 HydrophobicContact CD2-CB 4.48Å; Y36-I188 HydrophobicContact CD2-CG1 3.88Å; Y36-I188 HydrophobicContact CD2-CG2 4.35Å; Y36-I188 HydrophobicContact CE2-CB 4.49Å; Y36-I188 HydrophobicContact CE2-CG1 4.1Å; Y36-T191 WeakPolarHBondContact CE2-OG1 3.33Å; Y36-T191 VanDerWaalsContact OH-CB 3.26Å; Y36-T191 WeakPolarHBondContact OH-CB 3.28Å; Y36-T191 PolarHBondContact OH-OG1 3.1Å; Y36-L216 HydrophobicContact CD2-CD2 3.94Å; Y36-L216 HydrophobicContact CG-CD2 4.43Å |
| 37 | V | 98.6 | Very high | 97.9 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -73.5 | -52 | -175.4 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | Y33 C41 I42 L55 F58 | Y33-V37 HydrophobicContact CD1-CG2 4.44Å; Y33-V37 HydrophobicContact CD2-CG2 3.98Å; Y33-V37 HydrophobicContact CE1-CB 4.41Å; Y33-V37 HydrophobicContact CE1-CG2 4.26Å; Y33-V37 HydrophobicContact CE2-CG2 3.79Å; Y33-V37 HydrophobicContact CG-CG2 4.3Å; Y33-V37 VanDerWaalsContact O-CB 3.24Å; Y33-V37 WeakPolarHBondContact O-CB 3.45Å; Y33-V37 WeakPolarHBondContact O-CG2 3.38Å; Y33-V37 PolarHBondContact O-N 2.91Å; V37-C41 VanDerWaalsContact O-CB 3.3Å; V37-C41 WeakPolarHBondContact O-CB 3.32Å; V37-C41 PolarHBondContact O-N 3.3Å; V37-I42 WeakPolarHBondContact O-CG1 3.38Å; V37-I42 PolarHBondContact O-N 2.84Å; V37-L55 HydrophobicContact CB-CD2 4.3Å; V37-L55 HydrophobicContact CG1-CD2 3.86Å; V37-L55 HydrophobicContact CG2-CD2 4.06Å; V37-F58 HydrophobicContact CG2-CD1 3.89Å; V37-F58 HydrophobicContact CG2-CE1 3.7Å |
| 38 | Y | 98.4 | Very high | 97.9 | Very high | 108 Ų | 108 | 46.5 Ų | 46.5 | 42% | 0.424 | 25% | 0.25 | S | C | . | . | I | π-helix | trans | -81.4 | -65.9 | -175.8 | -179.4 | -96.3 | 0 | 0 | 0 | 111.6 | Y34 L40 I42 V43 | Y34-Y38 AromaticContact CE2-CD1 3.71Å; Y34-Y38 HydrophobicContact CE2-CD1 3.71Å; Y34-Y38 HydrophobicContact CE2-CE1 4.43Å; Y34-Y38 HydrophobicContact CE2-CG 4.06Å; Y34-Y38 AromaticContact CZ-CD1 3.85Å; Y34-Y38 VanDerWaalsContact O-CB 3.31Å; Y34-Y38 WeakPolarHBondContact O-CB 3.33Å; Y34-Y38 PolarHBondContact O-N 2.96Å; Y38-L40 PolarHBondContact O-N 3.4Å; Y38-I42 WeakPolarHBondContact O-CB 3.5Å; Y38-I42 PolarHBondContact O-N 2.74Å; Y38-V43 HydrophobicContact CD1-CG2 4.4Å; Y38-V43 HydrophobicContact CE1-CG2 4.04Å; Y38-V43 PolarHBondContact O-N 3.29Å |
| 39 | S | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -68.9 | -31.7 | -169.5 | -64.1 | 0 | 0 | 0 | 0 | 114.1 | Y34 A35 Q44 D209 | Y34-S39 PolarHBondContact O-N 2.95Å; A35-S39 WeakPolarHBondContact O-CB 3.32Å; A35-S39 PolarHBondContact O-N 2.92Å; S39-Q44 WeakPolarHBondContact O-CG 3.46Å; S39-Q44 PolarHBondContact O-NE2 3.2Å; S39-D209 VanDerWaalsContact CB-OD1 3.32Å; S39-D209 WeakPolarHBondContact CB-OD1 3.35Å; S39-D209 PolarHBondContact OG-OD1 3.49Å |
| 40 | L | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -89.4 | -68.3 | 173.1 | 177.9 | 62.3 | 0 | 0 | 0 | 111.5 | A35 Y36 Y38 Q44 V45 Y195 V213 | A35-L40 PolarHBondContact O-N 3.41Å; Y36-L40 HydrophobicContact CD2-CD2 3.94Å; Y36-L40 HydrophobicContact CE2-CD2 3.75Å; Y36-L40 HydrophobicContact CG-CD2 4.49Å; Y36-L40 WeakPolarHBondContact O-CB 3.22Å; Y38-L40 PolarHBondContact O-N 3.4Å; L40-Q44 HydrophobicContact CD1-CB 4.39Å; L40-Q44 WeakPolarHBondContact O-CA 3.35Å; L40-Q44 WeakPolarHBondContact O-CB 3.31Å; L40-Q44 PolarHBondContact O-N 2.87Å; L40-V45 HydrophobicContact CD1-CG2 4.33Å; L40-V45 HydrophobicContact CG-CG2 4.37Å; L40-V45 PolarHBondContact O-N 2.87Å; L40-Y195 HydrophobicContact CD1-CD1 3.94Å; L40-Y195 HydrophobicContact CD1-CD2 3.39Å; L40-Y195 HydrophobicContact CD1-CE1 4.16Å; L40-Y195 HydrophobicContact CD1-CE2 3.63Å; L40-Y195 HydrophobicContact CD1-CG 3.55Å; L40-V213 HydrophobicContact CB-CG2 3.7Å; L40-V213 HydrophobicContact CD1-CG1 4.21Å; L40-V213 HydrophobicContact CD1-CG2 4.23Å |
| 41 | C | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -68.9 | -43.8 | -168.6 | -62.5 | 0 | 0 | 0 | 0 | 113.5 | Y36 V37 K51 L55 | Y36-C41 WeakPolarHBondContact CE1-SG 3.34Å; Y36-C41 PolarHBondContact O-N 3.01Å; Y36-C41 PolarHBondContact O-SG 2.73Å; V37-C41 VanDerWaalsContact O-CB 3.3Å; V37-C41 WeakPolarHBondContact O-CB 3.32Å; V37-C41 PolarHBondContact O-N 3.3Å; C41-K51 HydrophobicContact CB-CG 4.26Å; C41-K51 VanDerWaalsContact O-CD 3.23Å; C41-K51 WeakPolarHBondContact O-CD 3.45Å; C41-K51 WeakPolarHBondContact O-CE 3.47Å; C41-K51 WeakPolarHBondContact O-CG 3.32Å; C41-K51 PolarHBondContact O-NZ 3.26Å; C41-L55 HydrophobicContact CB-CD2 3.89Å; C41-L55 HydrophobicContact CB-CG 4.17Å |
| 42 | I | 97.4 | Very high | 97.8 | Very high | 87 Ų | 87 | 52.1 Ų | 52.1 | 45% | 0.446 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -75.5 | -49.4 | -179.8 | -63.4 | -55 | 0 | 0 | 0 | 111.2 | V37 Y38 K51 | V37-I42 WeakPolarHBondContact O-CG1 3.38Å; V37-I42 PolarHBondContact O-N 2.84Å; Y38-I42 WeakPolarHBondContact O-CB 3.5Å; Y38-I42 PolarHBondContact O-N 2.74Å; I42-K51 HydrophobicContact CD1-CD 4.35Å; I42-K51 PolarHBondContact O-NZ 2.9Å; I42-K51 VanDerWaalsContact O-NZ 3.12Å |
| 43 | V | 96.9 | Very high | 97.8 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -45 | -170.3 | 177 | 0 | 0 | 0 | 0 | 113.7 | Y38 D209 | Y38-V43 HydrophobicContact CD1-CG2 4.4Å; Y38-V43 HydrophobicContact CE1-CG2 4.04Å; Y38-V43 PolarHBondContact O-N 3.29Å; V43-D209 HydrophobicContact CB-CB 4.49Å; V43-D209 HydrophobicContact CG1-CB 4.07Å |
| 44 | Q | 95.6 | Very high | 97.8 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 14% | 0.14 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -37.3 | -170.3 | -70.9 | 176.4 | 58.5 | 0 | 0 | 113.9 | S39 L40 T46 Y195 D209 | S39-Q44 WeakPolarHBondContact O-CG 3.46Å; S39-Q44 PolarHBondContact O-NE2 3.2Å; L40-Q44 HydrophobicContact CD1-CB 4.39Å; L40-Q44 WeakPolarHBondContact O-CA 3.35Å; L40-Q44 WeakPolarHBondContact O-CB 3.31Å; L40-Q44 PolarHBondContact O-N 2.87Å; Q44-T46 PolarHBondContact O-N 2.93Å; Q44-Y195 HydrophobicContact CB-CD1 3.87Å; Q44-Y195 HydrophobicContact CB-CE1 3.79Å; Q44-D209 PolarHBondContact NE2-O 2.66Å |
| 45 | V | 97.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | trans | -72.3 | 114.5 | 179 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | L40 S47 E50 K51 F54 Y195 | L40-V45 HydrophobicContact CD1-CG2 4.33Å; L40-V45 HydrophobicContact CG-CG2 4.37Å; L40-V45 PolarHBondContact O-N 2.87Å; V45-S47 WeakPolarHBondContact CG1-O 3.46Å; V45-E50 HydrophobicContact CG1-CB 3.88Å; V45-E50 HydrophobicContact CG1-CG 3.86Å; V45-K51 HydrophobicContact CB-CB 4.44Å; V45-K51 HydrophobicContact CG1-CB 3.91Å; V45-K51 WeakPolarHBondContact O-CE 3.48Å; V45-K51 PolarHBondContact O-NZ 3.26Å; V45-F54 HydrophobicContact CG2-CD2 4.08Å; V45-F54 HydrophobicContact CG2-CE2 4.16Å; V45-Y195 HydrophobicContact CG2-CE2 4.42Å; V45-Y195 WeakPolarHBondContact CG2-OH 3.48Å | ||
| 46 | T | 96.4 | Very high | 97.8 | Very high | 131 Ų | 131 | 55.8 Ų | 55.8 | 80% | 0.804 | 30% | 0.298 | S | S | * | . | trans | -85.6 | -39.4 | -180 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | Q44 V48 | Q44-T46 PolarHBondContact O-N 2.93Å; T46-V48 PolarHBondContact O-N 3.45Å | ||
| 47 | S | 97.4 | Very high | 97.8 | Very high | 48 Ų | 48 | 59.9 Ų | 59.9 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | trans | -68.8 | 120.1 | 178.5 | 174 | 0 | 0 | 0 | 0 | 111.1 | V45 V49 E50 K51 | V45-S47 WeakPolarHBondContact CG1-O 3.46Å; S47-V49 VanDerWaalsContact C-N 3.27Å; S47-V49 PolarHBondContact O-N 2.99Å; S47-E50 PolarHBondContact O-N 3.24Å; S47-E50 PolarHBondContact OG-N 2.97Å; S47-K51 WeakPolarHBondContact O-CB 3.21Å; S47-K51 PolarHBondContact O-N 3.17Å | ||
| 48 | V | 97.5 | Very high | 97.8 | Very high | 109 Ų | 109 | 58.9 Ų | 58.9 | 66% | 0.661 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.5 | -38.9 | 177.1 | 177.9 | 0 | 0 | 0 | 0 | 111 | T46 K51 V52 | T46-V48 PolarHBondContact O-N 3.45Å; V48-K51 PolarHBondContact O-N 3.39Å; V48-V52 HydrophobicContact CG1-CG2 4.44Å; V48-V52 VanDerWaalsContact O-CG2 3.29Å; V48-V52 WeakPolarHBondContact O-CG2 3.42Å; V48-V52 PolarHBondContact O-N 2.9Å |
| 49 | V | 97.8 | Very high | 97.8 | Very high | 93 Ų | 93 | 56.5 Ų | 56.5 | 56% | 0.564 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.4 | -49.4 | 179.8 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | S47 K51 V52 F53 | S47-V49 VanDerWaalsContact C-N 3.27Å; S47-V49 PolarHBondContact O-N 2.99Å; V49-K51 VanDerWaalsContact C-N 3.34Å; V49-K51 PolarHBondContact O-N 3.45Å; V49-V52 PolarHBondContact O-N 3.13Å; V49-F53 HydrophobicContact CG1-CD2 3.75Å; V49-F53 HydrophobicContact CG1-CE2 3.59Å; V49-F53 WeakPolarHBondContact O-CD2 3.44Å; V49-F53 PolarHBondContact O-N 2.89Å |
| 50 | E | 97.3 | Very high | 97.8 | Very high | 67 Ų | 67 | 60.3 Ų | 60.3 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 177.6 | -175.9 | 175.7 | -166.4 | 0 | 0 | 111.5 | V45 S47 V52 F53 F54 | V45-E50 HydrophobicContact CG1-CB 3.88Å; V45-E50 HydrophobicContact CG1-CG 3.86Å; S47-E50 PolarHBondContact O-N 3.24Å; S47-E50 PolarHBondContact OG-N 2.97Å; E50-V52 VanDerWaalsContact C-N 3.34Å; E50-V52 PolarHBondContact O-N 3.44Å; E50-F53 PolarHBondContact O-N 3.39Å; E50-F54 HydrophobicContact CG-CD1 4.21Å; E50-F54 HydrophobicContact CG-CD2 4.47Å; E50-F54 HydrophobicContact CG-CE1 3.79Å; E50-F54 HydrophobicContact CG-CE2 4.08Å; E50-F54 HydrophobicContact CG-CZ 3.72Å; E50-F54 WeakPolarHBondContact O-CB 2.93Å; E50-F54 WeakPolarHBondContact O-CD1 3.31Å; E50-F54 WeakPolarHBondContact O-CG 3.5Å; E50-F54 PolarHBondContact O-N 2.87Å; E50-F54 WeakPolarHBondContact OE1-CZ 3.33Å |
| 51 | K | 98 | Very high | 97.9 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.6 | -46 | 176.8 | -172.1 | 175.5 | -47.7 | -149.6 | 0 | 112.1 | C41 I42 V45 S47 V48 V49 F54 L55 | C41-K51 HydrophobicContact CB-CG 4.26Å; C41-K51 VanDerWaalsContact O-CD 3.23Å; C41-K51 WeakPolarHBondContact O-CD 3.45Å; C41-K51 WeakPolarHBondContact O-CE 3.47Å; C41-K51 WeakPolarHBondContact O-CG 3.32Å; C41-K51 PolarHBondContact O-NZ 3.26Å; I42-K51 HydrophobicContact CD1-CD 4.35Å; I42-K51 PolarHBondContact O-NZ 2.9Å; I42-K51 VanDerWaalsContact O-NZ 3.12Å; V45-K51 HydrophobicContact CB-CB 4.44Å; V45-K51 HydrophobicContact CG1-CB 3.91Å; V45-K51 WeakPolarHBondContact O-CE 3.48Å; V45-K51 PolarHBondContact O-NZ 3.26Å; S47-K51 WeakPolarHBondContact O-CB 3.21Å; S47-K51 PolarHBondContact O-N 3.17Å; V48-K51 PolarHBondContact O-N 3.39Å; V49-K51 VanDerWaalsContact C-N 3.34Å; V49-K51 PolarHBondContact O-N 3.45Å; K51-F54 PolarHBondContact O-N 3.46Å; K51-L55 HydrophobicContact CG-CD1 4.04Å; K51-L55 WeakPolarHBondContact O-CB 3.48Å; K51-L55 WeakPolarHBondContact O-CG 3.38Å; K51-L55 PolarHBondContact O-N 3.18Å |
| 52 | V | 98.2 | Very high | 97.9 | Very high | 75 Ų | 75 | 62.9 Ų | 62.9 | 46% | 0.455 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 178.3 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | V48 V49 E50 L55 I56 | V48-V52 HydrophobicContact CG1-CG2 4.44Å; V48-V52 VanDerWaalsContact O-CG2 3.29Å; V48-V52 WeakPolarHBondContact O-CG2 3.42Å; V48-V52 PolarHBondContact O-N 2.9Å; V49-V52 PolarHBondContact O-N 3.13Å; E50-V52 VanDerWaalsContact C-N 3.34Å; E50-V52 PolarHBondContact O-N 3.44Å; V52-L55 PolarHBondContact O-N 3.24Å; V52-I56 HydrophobicContact CG1-CD1 3.69Å; V52-I56 HydrophobicContact CG1-CG1 4.42Å; V52-I56 VanDerWaalsContact O-CG1 3.32Å; V52-I56 WeakPolarHBondContact O-CG1 3.41Å; V52-I56 PolarHBondContact O-N 3.22Å |
| 53 | F | 98 | Very high | 97.9 | Very high | 116 Ų | 116 | 63.8 Ų | 63.8 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 177.1 | -82.9 | -67.4 | 0 | 0 | 0 | 112.3 | V49 E50 L55 I56 F57 | V49-F53 HydrophobicContact CG1-CD2 3.75Å; V49-F53 HydrophobicContact CG1-CE2 3.59Å; V49-F53 WeakPolarHBondContact O-CD2 3.44Å; V49-F53 PolarHBondContact O-N 2.89Å; E50-F53 PolarHBondContact O-N 3.39Å; F53-L55 VanDerWaalsContact C-N 3.35Å; F53-L55 PolarHBondContact O-N 3.32Å; F53-I56 PolarHBondContact O-N 3.01Å; F53-F57 HydrophobicContact CD1-CD2 4.49Å; F53-F57 HydrophobicContact CD1-CE2 4.01Å; F53-F57 WeakPolarHBondContact O-CD2 3.41Å; F53-F57 PolarHBondContact O-N 3.46Å; F53-F57 VanDerWaalsContact O-N 3.16Å |
| 54 | F | 98.5 | Very high | 98 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 11% | 0.114 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 178.6 | -78.7 | 15.3 | 0 | 0 | 0 | 111 | Y36 V45 E50 K51 F58 T191 Y195 | Y36-F54 HydrophobicContact CE1-CB 4.19Å; V45-F54 HydrophobicContact CG2-CD2 4.08Å; V45-F54 HydrophobicContact CG2-CE2 4.16Å; E50-F54 HydrophobicContact CG-CD1 4.21Å; E50-F54 HydrophobicContact CG-CD2 4.47Å; E50-F54 HydrophobicContact CG-CE1 3.79Å; E50-F54 HydrophobicContact CG-CE2 4.08Å; E50-F54 HydrophobicContact CG-CZ 3.72Å; E50-F54 WeakPolarHBondContact O-CB 2.93Å; E50-F54 WeakPolarHBondContact O-CD1 3.31Å; E50-F54 WeakPolarHBondContact O-CG 3.5Å; E50-F54 PolarHBondContact O-N 2.87Å; E50-F54 WeakPolarHBondContact OE1-CZ 3.33Å; K51-F54 PolarHBondContact O-N 3.46Å; F54-F58 WeakPolarHBondContact O-CB 3.4Å; F54-F58 PolarHBondContact O-N 2.79Å; F54-T191 HydrophobicContact CD1-CG2 3.76Å; F54-T191 HydrophobicContact CD2-CG2 4.37Å; F54-T191 HydrophobicContact CE1-CG2 3.47Å; F54-T191 VanDerWaalsContact CE1-CG2 3.47Å; F54-T191 HydrophobicContact CE2-CG2 4.12Å; F54-T191 HydrophobicContact CG-CG2 4.23Å; F54-T191 HydrophobicContact CZ-CG2 3.67Å; F54-Y195 HydrophobicContact CE2-CE2 4.41Å |
| 55 | L | 98.6 | Very high | 98.2 | Very high | 38 Ų | 38 | 60.4 Ų | 60.4 | 20% | 0.199 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -46 | 179.8 | -68.7 | 171.3 | 0 | 0 | 0 | 112 | V37 C41 K51 V52 F53 F57 H59 | V37-L55 HydrophobicContact CB-CD2 4.3Å; V37-L55 HydrophobicContact CG1-CD2 3.86Å; V37-L55 HydrophobicContact CG2-CD2 4.06Å; C41-L55 HydrophobicContact CB-CD2 3.89Å; C41-L55 HydrophobicContact CB-CG 4.17Å; K51-L55 HydrophobicContact CG-CD1 4.04Å; K51-L55 WeakPolarHBondContact O-CB 3.48Å; K51-L55 WeakPolarHBondContact O-CG 3.38Å; K51-L55 PolarHBondContact O-N 3.18Å; V52-L55 PolarHBondContact O-N 3.24Å; F53-L55 VanDerWaalsContact C-N 3.35Å; F53-L55 PolarHBondContact O-N 3.32Å; L55-F57 PolarHBondContact O-N 3.47Å; L55-H59 PolarHBondContact O-N 3.39Å; L55-H59 PolarHBondContact O-ND1 3.08Å |
| 56 | I | 98.6 | Very high | 98.2 | Very high | 101 Ų | 101 | 62.1 Ų | 62.1 | 52% | 0.518 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.2 | -52.6 | -178.9 | -70.8 | 169.4 | 0 | 0 | 0 | 111.1 | V52 F53 L60 | V52-I56 HydrophobicContact CG1-CD1 3.69Å; V52-I56 HydrophobicContact CG1-CG1 4.42Å; V52-I56 VanDerWaalsContact O-CG1 3.32Å; V52-I56 WeakPolarHBondContact O-CG1 3.41Å; V52-I56 PolarHBondContact O-N 3.22Å; F53-I56 PolarHBondContact O-N 3.01Å; I56-L60 WeakPolarHBondContact O-CB 3.4Å; I56-L60 PolarHBondContact O-N 2.99Å |
| 57 | F | 98.6 | Very high | 98.3 | Very high | 87 Ų | 87 | 60.9 Ų | 60.9 | 38% | 0.382 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.3 | -37.2 | -176.9 | -76.7 | -71.2 | 0 | 0 | 0 | 112.5 | F53 L55 H59 L60 F61 F187 | F53-F57 HydrophobicContact CD1-CD2 4.49Å; F53-F57 HydrophobicContact CD1-CE2 4.01Å; F53-F57 WeakPolarHBondContact O-CD2 3.41Å; F53-F57 PolarHBondContact O-N 3.46Å; F53-F57 VanDerWaalsContact O-N 3.16Å; L55-F57 PolarHBondContact O-N 3.47Å; F57-H59 PolarHBondContact O-N 2.98Å; F57-L60 HydrophobicContact CD1-CD2 4.35Å; F57-L60 PolarHBondContact O-N 2.95Å; F57-F61 HydrophobicContact CB-CE2 4.06Å; F57-F61 HydrophobicContact CB-CZ 4.47Å; F57-F61 HydrophobicContact CD1-CE2 4.35Å; F57-F61 AromaticContact CD1-CZ 3.94Å; F57-F61 HydrophobicContact CD1-CZ 3.94Å; F57-F61 VanDerWaalsContact O-CD2 3.24Å; F57-F61 WeakPolarHBondContact O-CD2 3.45Å; F57-F61 VanDerWaalsContact O-CG 3.28Å; F57-F61 WeakPolarHBondContact O-CG 3.27Å; F57-F61 PolarHBondContact O-N 3.47Å; F57-F187 HydrophobicContact CB-CD2 4.47Å; F57-F187 HydrophobicContact CB-CE1 4.18Å; F57-F187 HydrophobicContact CB-CE2 3.65Å; F57-F187 HydrophobicContact CB-CZ 3.48Å; F57-F187 VanDerWaalsContact CB-CZ 3.48Å; F57-F187 HydrophobicContact CG-CE2 4.42Å |
| 58 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.3 | -50.1 | 174.5 | -179.3 | -101.6 | 0 | 0 | 0 | 111.6 | Y33 Y36 V37 F54 F61 L62 Y184 F187 I188 | Y33-F58 AromaticContact CD2-CE1 3.74Å; Y33-F58 HydrophobicContact CD2-CE1 3.74Å; Y33-F58 HydrophobicContact CE2-CE1 4.38Å; Y33-F58 HydrophobicContact CG-CE1 4.44Å; Y36-F58 HydrophobicContact CD1-CB 3.89Å; Y36-F58 AromaticContact CD1-CD1 3.84Å; Y36-F58 HydrophobicContact CD1-CD1 3.84Å; Y36-F58 AromaticContact CD1-CD2 3.23Å; Y36-F58 HydrophobicContact CD1-CD2 3.23Å; Y36-F58 HydrophobicContact CD1-CE1 4.16Å; Y36-F58 AromaticContact CD1-CE2 3.6Å; Y36-F58 HydrophobicContact CD1-CE2 3.6Å; Y36-F58 AromaticContact CD1-CG 3.37Å; Y36-F58 HydrophobicContact CD1-CG 3.37Å; Y36-F58 HydrophobicContact CD1-CZ 4.06Å; Y36-F58 AromaticContact CD2-CD2 3.83Å; Y36-F58 HydrophobicContact CD2-CD2 3.83Å; Y36-F58 AromaticContact CD2-CE2 3.82Å; Y36-F58 HydrophobicContact CD2-CE2 3.82Å; Y36-F58 HydrophobicContact CE1-CB 3.54Å; Y36-F58 HydrophobicContact CE1-CD1 4.38Å; Y36-F58 AromaticContact CE1-CD2 3.5Å; Y36-F58 HydrophobicContact CE1-CD2 3.5Å; Y36-F58 VanDerWaalsContact CE1-CD2 3.5Å; Y36-F58 HydrophobicContact CE1-CE2 4.29Å; Y36-F58 AromaticContact CE1-CG 3.55Å; Y36-F58 HydrophobicContact CE1-CG 3.55Å; Y36-F58 HydrophobicContact CE2-CD2 4.07Å; Y36-F58 HydrophobicContact CE2-CE2 4.49Å; Y36-F58 AromaticContact CG-CD2 3.42Å; Y36-F58 HydrophobicContact CG-CD2 3.42Å; Y36-F58 VanDerWaalsContact CG-CD2 3.42Å; Y36-F58 HydrophobicContact CG-CE1 4.43Å; Y36-F58 AromaticContact CG-CE2 3.34Å; Y36-F58 HydrophobicContact CG-CE2 3.34Å; Y36-F58 HydrophobicContact CG-CG 4.03Å; Y36-F58 AromaticContact CG-CZ 3.9Å; Y36-F58 HydrophobicContact CG-CZ 3.9Å; Y36-F58 AromaticContact CZ-CD2 3.92Å; V37-F58 HydrophobicContact CG2-CD1 3.89Å; V37-F58 HydrophobicContact CG2-CE1 3.7Å; F54-F58 WeakPolarHBondContact O-CB 3.4Å; F54-F58 PolarHBondContact O-N 2.79Å; F58-F61 PolarHBondContact O-N 3.32Å; F58-L62 HydrophobicContact CE1-CD2 3.95Å; F58-L62 HydrophobicContact CZ-CD2 4.33Å; F58-L62 VanDerWaalsContact O-CB 3.24Å; F58-L62 WeakPolarHBondContact O-CB 3.29Å; F58-L62 PolarHBondContact O-N 3.28Å; F58-Y184 AromaticContact CD2-CE2 3.9Å; F58-Y184 HydrophobicContact CD2-CE2 3.9Å; F58-Y184 HydrophobicContact CE2-CD2 4.5Å; F58-Y184 AromaticContact CE2-CE2 3.39Å; F58-Y184 HydrophobicContact CE2-CE2 3.39Å; F58-Y184 AromaticContact CE2-CZ 3.75Å; F58-Y184 VanDerWaalsContact CE2-OH 3.31Å; F58-Y184 WeakPolarHBondContact CE2-OH 3.2Å; F58-Y184 AromaticContact CZ-CE2 3.89Å; F58-Y184 HydrophobicContact CZ-CE2 3.89Å; F58-Y184 WeakPolarHBondContact CZ-OH 3.45Å; F58-F187 HydrophobicContact CB-CD1 4.49Å; F58-F187 HydrophobicContact CB-CE1 3.89Å; F58-I188 HydrophobicContact CD2-CG1 4.44Å; F58-I188 HydrophobicContact CE2-CD1 4.17Å; F58-I188 HydrophobicContact CE2-CG1 4.13Å |
| 59 | H | 98.7 | Very high | 98.4 | Very high | 59 Ų | 59 | 53.4 Ų | 53.4 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 179.3 | -72.5 | 88.3 | 0 | 0 | 0 | 111.7 | Y33 L55 F57 F61 L62 I63 | Y33-H59 AromaticContact CE2-CD2 3.94Å; Y33-H59 AromaticContact CE2-NE2 3.41Å; Y33-H59 WeakPolarHBondContact CE2-NE2 3.37Å; Y33-H59 AromaticContact CZ-NE2 3.86Å; Y33-H59 PolarHBondContact OH-NE2 3.49Å; L55-H59 PolarHBondContact O-N 3.39Å; L55-H59 PolarHBondContact O-ND1 3.08Å; F57-H59 PolarHBondContact O-N 2.98Å; H59-F61 PolarHBondContact O-N 3.18Å; H59-L62 PolarHBondContact O-N 2.69Å; H59-I63 VanDerWaalsContact O-CB 3.32Å; H59-I63 WeakPolarHBondContact O-CB 3.42Å; H59-I63 WeakPolarHBondContact O-CD1 3.5Å; H59-I63 WeakPolarHBondContact O-CG1 3.4Å; H59-I63 PolarHBondContact O-N 3.13Å |
| 60 | L | 98.6 | Very high | 98.4 | Very high | 79 Ų | 79 | 53 Ų | 53 | 41% | 0.414 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -55.8 | -51.6 | 175.5 | 175.7 | 62.9 | 0 | 0 | 0 | 111.5 | I56 F57 I63 L64 | I56-L60 WeakPolarHBondContact O-CB 3.4Å; I56-L60 PolarHBondContact O-N 2.99Å; F57-L60 HydrophobicContact CD1-CD2 4.35Å; F57-L60 PolarHBondContact O-N 2.95Å; L60-I63 PolarHBondContact O-N 3.37Å; L60-L64 HydrophobicContact CD1-CD1 3.8Å; L60-L64 HydrophobicContact CD1-CG 4.5Å; L60-L64 HydrophobicContact CG-CD1 4.09Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.05Å; L60-L64 VanDerWaalsContact O-N 3.12Å |
| 61 | F | 98.7 | Very high | 98.5 | Very high | 32 Ų | 32 | 53 Ų | 53 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.1 | -38.3 | -178.2 | -59 | -29.7 | 0 | 0 | 0 | 112.3 | F57 F58 H59 L64 F65 W180 V183 Y184 F187 | F57-F61 HydrophobicContact CB-CE2 4.06Å; F57-F61 HydrophobicContact CB-CZ 4.47Å; F57-F61 HydrophobicContact CD1-CE2 4.35Å; F57-F61 AromaticContact CD1-CZ 3.94Å; F57-F61 HydrophobicContact CD1-CZ 3.94Å; F57-F61 VanDerWaalsContact O-CD2 3.24Å; F57-F61 WeakPolarHBondContact O-CD2 3.45Å; F57-F61 VanDerWaalsContact O-CG 3.28Å; F57-F61 WeakPolarHBondContact O-CG 3.27Å; F57-F61 PolarHBondContact O-N 3.47Å; F58-F61 PolarHBondContact O-N 3.32Å; H59-F61 PolarHBondContact O-N 3.18Å; F61-L64 PolarHBondContact O-N 2.87Å; F61-F65 VanDerWaalsContact O-CB 3.25Å; F61-F65 WeakPolarHBondContact O-CB 3.28Å; F61-F65 PolarHBondContact O-N 3.44Å; F61-W180 HydrophobicContact CD1-CE3 4.07Å; F61-W180 HydrophobicContact CD1-CH2 4.47Å; F61-W180 AromaticContact CD1-CZ3 3.5Å; F61-W180 HydrophobicContact CD1-CZ3 3.5Å; F61-W180 VanDerWaalsContact CD1-CZ3 3.5Å; F61-W180 AromaticContact CE1-CZ3 3.82Å; F61-W180 HydrophobicContact CE1-CZ3 3.82Å; F61-V183 HydrophobicContact CD1-CG1 3.88Å; F61-V183 HydrophobicContact CD2-CG1 4.05Å; F61-V183 HydrophobicContact CE1-CG1 3.94Å; F61-V183 HydrophobicContact CE2-CG1 4.1Å; F61-V183 HydrophobicContact CG-CG1 3.93Å; F61-V183 HydrophobicContact CZ-CG1 4.05Å; F61-Y184 HydrophobicContact CB-CD2 4.25Å; F61-F187 HydrophobicContact CD2-CB 3.76Å; F61-F187 HydrophobicContact CD2-CD1 4.08Å; F61-F187 HydrophobicContact CD2-CD2 4.09Å; F61-F187 AromaticContact CD2-CG 3.7Å; F61-F187 HydrophobicContact CD2-CG 3.7Å; F61-F187 HydrophobicContact CE2-CB 3.94Å; F61-F187 HydrophobicContact CE2-CD1 4.43Å; F61-F187 AromaticContact CE2-CD2 3.62Å; F61-F187 HydrophobicContact CE2-CD2 3.62Å; F61-F187 HydrophobicContact CE2-CE2 4.21Å; F61-F187 AromaticContact CE2-CG 3.73Å; F61-F187 HydrophobicContact CE2-CG 3.73Å |
| 62 | L | 98.6 | Very high | 98.5 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.115 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 175 | -179.4 | 62.2 | 0 | 0 | 0 | 111.8 | Y33 F58 H59 F65 C66 Y184 | Y33-L62 HydrophobicContact CD2-CD2 3.56Å; Y33-L62 HydrophobicContact CE2-CD2 4.34Å; Y33-L62 HydrophobicContact CG-CD2 4.46Å; F58-L62 HydrophobicContact CE1-CD2 3.95Å; F58-L62 HydrophobicContact CZ-CD2 4.33Å; F58-L62 VanDerWaalsContact O-CB 3.24Å; F58-L62 WeakPolarHBondContact O-CB 3.29Å; F58-L62 PolarHBondContact O-N 3.28Å; H59-L62 PolarHBondContact O-N 2.69Å; L62-F65 HydrophobicContact CD1-CD1 4.39Å; L62-F65 PolarHBondContact O-N 2.7Å; L62-C66 VanDerWaalsContact O-CB 3.28Å; L62-C66 WeakPolarHBondContact O-CB 3.25Å; L62-C66 PolarHBondContact O-N 3.01Å; L62-C66 PolarHBondContact O-SG 3.16Å; L62-Y184 HydrophobicContact CB-CD2 4.41Å; L62-Y184 HydrophobicContact CB-CE2 3.94Å; L62-Y184 HydrophobicContact CD1-CE2 4.01Å |
| 63 | I | 98.5 | Very high | 98.5 | Very high | 106 Ų | 106 | 48.2 Ų | 48.2 | 54% | 0.544 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.3 | -45.8 | 177.6 | -72.6 | 164.8 | 0 | 0 | 0 | 110.3 | H59 L60 C66 W67 | H59-I63 VanDerWaalsContact O-CB 3.32Å; H59-I63 WeakPolarHBondContact O-CB 3.42Å; H59-I63 WeakPolarHBondContact O-CD1 3.5Å; H59-I63 WeakPolarHBondContact O-CG1 3.4Å; H59-I63 PolarHBondContact O-N 3.13Å; L60-I63 PolarHBondContact O-N 3.37Å; I63-C66 PolarHBondContact O-N 2.71Å; I63-W67 WeakPolarHBondContact O-CB 3.33Å; I63-W67 PolarHBondContact O-N 3.01Å |
| 64 | L | 98.6 | Very high | 98.5 | Very high | 17 Ų | 17 | 48.5 Ų | 48.5 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -39.2 | -180 | -69.1 | 165.8 | 0 | 0 | 0 | 112.2 | L60 F61 W67 S68 W180 L284 | L60-L64 HydrophobicContact CD1-CD1 3.8Å; L60-L64 HydrophobicContact CD1-CG 4.5Å; L60-L64 HydrophobicContact CG-CD1 4.09Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.05Å; L60-L64 VanDerWaalsContact O-N 3.12Å; F61-L64 PolarHBondContact O-N 2.87Å; L64-W67 HydrophobicContact CD2-CE3 4.35Å; L64-S68 VanDerWaalsContact O-CB 3.32Å; L64-S68 WeakPolarHBondContact O-CB 3.17Å; L64-S68 PolarHBondContact O-N 3.25Å; L64-S68 PolarHBondContact O-OG 3.23Å; L64-W180 HydrophobicContact CB-CD2 3.61Å; L64-W180 HydrophobicContact CB-CE3 4.06Å; L64-W180 HydrophobicContact CB-CG 3.83Å; L64-W180 HydrophobicContact CB-CZ2 4.35Å; L64-W180 HydrophobicContact CD1-CD2 4.14Å; L64-W180 HydrophobicContact CD1-CE3 4.13Å; L64-W180 HydrophobicContact CD1-CH2 3.47Å; L64-W180 VanDerWaalsContact CD1-CH2 3.47Å; L64-W180 HydrophobicContact CD1-CZ2 3.46Å; L64-W180 VanDerWaalsContact CD1-CZ2 3.46Å; L64-W180 HydrophobicContact CD1-CZ3 3.81Å; L64-W180 HydrophobicContact CG-CD2 4.45Å; L64-W180 HydrophobicContact CG-CZ2 4.33Å; L64-L284 HydrophobicContact CD2-CD2 4.01Å |
| 65 | F | 98.6 | Very high | 98.4 | Very high | 13 Ų | 13 | 48 Ų | 48 | 6% | 0.057 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -53.4 | 171.3 | 170.9 | -103.4 | 0 | 0 | 0 | 111.7 | I25 A29 F61 L62 W67 S68 Y69 F177 W180 | I25-F65 HydrophobicContact CG2-CZ 4.21Å; A29-F65 HydrophobicContact CB-CE1 4.28Å; F61-F65 VanDerWaalsContact O-CB 3.25Å; F61-F65 WeakPolarHBondContact O-CB 3.28Å; F61-F65 PolarHBondContact O-N 3.44Å; L62-F65 HydrophobicContact CD1-CD1 4.39Å; L62-F65 PolarHBondContact O-N 2.7Å; F65-W67 PolarHBondContact O-N 2.92Å; F65-S68 PolarHBondContact O-N 2.78Å; F65-S68 PolarHBondContact O-OG 2.87Å; F65-Y69 VanDerWaalsContact O-CB 3.27Å; F65-Y69 WeakPolarHBondContact O-CB 3.5Å; F65-Y69 PolarHBondContact O-N 2.78Å; F65-F177 HydrophobicContact CD2-CD2 4.14Å; F65-F177 HydrophobicContact CD2-CE2 4.16Å; F65-F177 AromaticContact CE2-CD2 3.81Å; F65-F177 HydrophobicContact CE2-CD2 3.81Å; F65-F177 AromaticContact CE2-CE2 3.38Å; F65-F177 HydrophobicContact CE2-CE2 3.38Å; F65-F177 HydrophobicContact CE2-CZ 4.44Å; F65-F177 AromaticContact CZ-CE2 3.87Å; F65-F177 HydrophobicContact CZ-CE2 3.87Å; F65-W180 HydrophobicContact CB-CB 4.28Å |
| 66 | C | 98.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 27% | 0.27 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | -179.6 | -74.2 | 0 | 0 | 0 | 0 | 112.1 | L62 I63 Y69 L70 | L62-C66 VanDerWaalsContact O-CB 3.28Å; L62-C66 WeakPolarHBondContact O-CB 3.25Å; L62-C66 PolarHBondContact O-N 3.01Å; L62-C66 PolarHBondContact O-SG 3.16Å; I63-C66 PolarHBondContact O-N 2.71Å; C66-Y69 PolarHBondContact O-N 3.38Å; C66-L70 WeakPolarHBondContact O-CB 3.26Å; C66-L70 VanDerWaalsContact O-CG 3.23Å; C66-L70 WeakPolarHBondContact O-CG 3.37Å; C66-L70 PolarHBondContact O-N 3.32Å |
| 67 | W | 98.4 | Very high | 98.2 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 39% | 0.394 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -46.3 | 178.6 | -177.5 | 12.5 | 0 | 0 | 0 | 111.6 | I63 L64 F65 L70 K71 L284 P285 V286 | I63-W67 WeakPolarHBondContact O-CB 3.33Å; I63-W67 PolarHBondContact O-N 3.01Å; L64-W67 HydrophobicContact CD2-CE3 4.35Å; F65-W67 PolarHBondContact O-N 2.92Å; W67-L70 PolarHBondContact O-N 3Å; W67-K71 WeakPolarHBondContact O-CG 3.43Å; W67-K71 PolarHBondContact O-N 3.02Å; W67-L284 HydrophobicContact CZ3-CD2 4.43Å; W67-P285 HydrophobicContact CB-CG 4.07Å; W67-P285 HydrophobicContact CD2-CG 3.32Å; W67-P285 HydrophobicContact CE3-CG 3.81Å; W67-P285 HydrophobicContact CG-CG 3.44Å; W67-P285 VanDerWaalsContact CG-CG 3.44Å; W67-P285 HydrophobicContact CZ2-CG 4.2Å; W67-P285 HydrophobicContact CZ3-CG 4.42Å; W67-V286 HydrophobicContact CH2-CG1 4.26Å; W67-V286 HydrophobicContact CZ2-CG1 4.1Å |
| 68 | S | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.8 | -39.4 | 178 | 55.5 | 0 | 0 | 0 | 0 | 112.6 | L64 F65 K71 A72 F177 | L64-S68 VanDerWaalsContact O-CB 3.32Å; L64-S68 WeakPolarHBondContact O-CB 3.17Å; L64-S68 PolarHBondContact O-N 3.25Å; L64-S68 PolarHBondContact O-OG 3.23Å; F65-S68 PolarHBondContact O-N 2.78Å; F65-S68 PolarHBondContact O-OG 2.87Å; S68-K71 PolarHBondContact O-N 2.83Å; S68-A72 PolarHBondContact O-N 3.24Å; S68-F177 WeakPolarHBondContact OG-CA 3.27Å |
| 69 | Y | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 174.8 | -174.9 | -132.1 | 0 | 0 | 0 | 112.3 | V22 I25 L26 F65 C66 K71 A72 I73 W161 T162 F177 | V22-Y69 WeakPolarHBondContact CA-OH 3.22Å; V22-Y69 PolarHBondContact O-OH 3.23Å; I25-Y69 HydrophobicContact CB-CE1 4.19Å; I25-Y69 WeakPolarHBondContact CB-OH 3.43Å; I25-Y69 HydrophobicContact CD1-CE2 4.15Å; I25-Y69 WeakPolarHBondContact CD1-OH 3.22Å; I25-Y69 HydrophobicContact CG2-CD1 4.32Å; I25-Y69 HydrophobicContact CG2-CE1 3.66Å; I25-Y69 HydrophobicContact CG2-CE2 4.38Å; L26-Y69 HydrophobicContact CD2-CD1 4.21Å; L26-Y69 HydrophobicContact CD2-CE1 3.91Å; L26-Y69 HydrophobicContact CG-CE1 4.23Å; F65-Y69 VanDerWaalsContact O-CB 3.27Å; F65-Y69 WeakPolarHBondContact O-CB 3.5Å; F65-Y69 PolarHBondContact O-N 2.78Å; C66-Y69 PolarHBondContact O-N 3.38Å; Y69-K71 VanDerWaalsContact C-N 3.28Å; Y69-K71 PolarHBondContact O-N 3.34Å; Y69-A72 PolarHBondContact O-N 2.92Å; Y69-A72 VanDerWaalsContact O-N 3.11Å; Y69-I73 HydrophobicContact CD1-CD1 3.91Å; Y69-I73 HydrophobicContact CD2-CD1 4.15Å; Y69-I73 HydrophobicContact CD2-CG1 4.48Å; Y69-I73 HydrophobicContact CE1-CD1 3.64Å; Y69-I73 HydrophobicContact CE2-CD1 3.89Å; Y69-I73 HydrophobicContact CE2-CG1 4.25Å; Y69-I73 HydrophobicContact CG-CD1 4.16Å; Y69-I73 WeakPolarHBondContact O-CG1 3.26Å; Y69-I73 PolarHBondContact O-N 2.99Å; Y69-W161 WeakPolarHBondContact CE2-O 3.49Å; Y69-W161 PolarHBondContact OH-O 2.87Å; Y69-T162 HydrophobicContact CD2-CG2 4.42Å; Y69-T162 HydrophobicContact CE2-CG2 4.11Å; Y69-F177 HydrophobicContact CD2-CD1 4.44Å; Y69-F177 AromaticContact CD2-CD2 3.65Å; Y69-F177 HydrophobicContact CD2-CD2 3.65Å; Y69-F177 HydrophobicContact CD2-CE1 4.14Å; Y69-F177 AromaticContact CD2-CE2 3.25Å; Y69-F177 HydrophobicContact CD2-CE2 3.25Å; Y69-F177 HydrophobicContact CD2-CG 4.22Å; Y69-F177 AromaticContact CD2-CZ 3.54Å; Y69-F177 HydrophobicContact CD2-CZ 3.54Å; Y69-F177 HydrophobicContact CE2-CE1 4.46Å; Y69-F177 AromaticContact CE2-CE2 3.97Å; Y69-F177 HydrophobicContact CE2-CE2 3.97Å; Y69-F177 AromaticContact CE2-CZ 3.84Å; Y69-F177 HydrophobicContact CE2-CZ 3.84Å; Y69-F177 AromaticContact CG-CD2 3.98Å; Y69-F177 HydrophobicContact CG-CD2 3.98Å; Y69-F177 AromaticContact CG-CE2 3.74Å; Y69-F177 HydrophobicContact CG-CE2 3.74Å; Y69-F177 HydrophobicContact CG-CZ 4.44Å |
| 70 | L | 98.2 | Very high | 98.1 | Very high | 84 Ų | 84 | 48 Ų | 48 | 44% | 0.44 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.8 | -40.3 | 175.3 | -75.6 | 171.6 | 0 | 0 | 0 | 111.7 | C66 W67 I73 L74 | C66-L70 WeakPolarHBondContact O-CB 3.26Å; C66-L70 VanDerWaalsContact O-CG 3.23Å; C66-L70 WeakPolarHBondContact O-CG 3.37Å; C66-L70 PolarHBondContact O-N 3.32Å; W67-L70 PolarHBondContact O-N 3Å; L70-I73 PolarHBondContact O-N 2.64Å; L70-L74 HydrophobicContact CB-CD1 4.43Å; L70-L74 HydrophobicContact CD2-CD1 4.47Å; L70-L74 VanDerWaalsContact O-CB 3.24Å; L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.26Å; L70-L74 PolarHBondContact O-N 3.08Å |
| 71 | K | 98.4 | Very high | 98.1 | Very high | 68 Ų | 68 | 46.7 Ų | 46.7 | 30% | 0.296 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 174.6 | -77.4 | -69.7 | -154 | 176.9 | 0 | 112.5 | W67 S68 Y69 I73 V75 Y173 P285 | W67-K71 WeakPolarHBondContact O-CG 3.43Å; W67-K71 PolarHBondContact O-N 3.02Å; S68-K71 PolarHBondContact O-N 2.83Å; Y69-K71 VanDerWaalsContact C-N 3.28Å; Y69-K71 PolarHBondContact O-N 3.34Å; K71-I73 VanDerWaalsContact C-N 3.31Å; K71-I73 PolarHBondContact O-N 2.9Å; K71-V75 HydrophobicContact CD-CG2 3.97Å; K71-V75 VanDerWaalsContact O-CB 3.28Å; K71-V75 WeakPolarHBondContact O-CB 3.46Å; K71-V75 VanDerWaalsContact O-CG2 3.28Å; K71-V75 WeakPolarHBondContact O-CG2 3.47Å; K71-V75 PolarHBondContact O-N 2.85Å; K71-Y173 HydrophobicContact CB-CD1 3.83Å; K71-Y173 HydrophobicContact CB-CD2 4.15Å; K71-Y173 HydrophobicContact CB-CE1 4.33Å; K71-Y173 HydrophobicContact CB-CG 3.72Å; K71-Y173 HydrophobicContact CD-CE1 4.38Å; K71-Y173 HydrophobicContact CG-CD1 4.3Å; K71-Y173 HydrophobicContact CG-CE1 4.39Å; K71-P285 HydrophobicContact CB-CB 4.35Å; K71-P285 VanDerWaalsContact CE-O 3.32Å; K71-P285 WeakPolarHBondContact CE-O 3.3Å; K71-P285 HydrophobicContact CG-CB 4.11Å |
| 72 | A | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -35.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S68 Y69 T162 N164 | S68-A72 PolarHBondContact O-N 3.24Å; Y69-A72 PolarHBondContact O-N 2.92Å; Y69-A72 VanDerWaalsContact O-N 3.11Å; A72-T162 HydrophobicContact CB-CG2 3.96Å; A72-N164 PolarHBondContact O-ND2 3.36Å |
| 73 | I | 98 | Very high | 97.9 | Very high | 20 Ų | 20 | 57.8 Ų | 57.8 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.6 | -51.4 | 175.2 | -64.7 | 162.1 | 0 | 0 | 0 | 111.5 | W19 V22 Y69 L70 K71 N164 | W19-I73 HydrophobicContact CH2-CG2 3.78Å; W19-I73 HydrophobicContact CZ3-CG2 3.94Å; V22-I73 HydrophobicContact CG1-CD1 3.75Å; Y69-I73 HydrophobicContact CD1-CD1 3.91Å; Y69-I73 HydrophobicContact CD2-CD1 4.15Å; Y69-I73 HydrophobicContact CD2-CG1 4.48Å; Y69-I73 HydrophobicContact CE1-CD1 3.64Å; Y69-I73 HydrophobicContact CE2-CD1 3.89Å; Y69-I73 HydrophobicContact CE2-CG1 4.25Å; Y69-I73 HydrophobicContact CG-CD1 4.16Å; Y69-I73 WeakPolarHBondContact O-CG1 3.26Å; Y69-I73 PolarHBondContact O-N 2.99Å; L70-I73 PolarHBondContact O-N 2.64Å; K71-I73 VanDerWaalsContact C-N 3.31Å; K71-I73 PolarHBondContact O-N 2.9Å; I73-N164 PolarHBondContact O-ND2 3.16Å |
| 74 | L | 97.8 | Very high | 97.9 | Very high | 122 Ų | 122 | 52.8 Ų | 52.8 | 64% | 0.639 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -86.5 | -20.5 | -164.1 | -64 | 174.5 | 0 | 0 | 0 | 114 | L70 P76 | L70-L74 HydrophobicContact CB-CD1 4.43Å; L70-L74 HydrophobicContact CD2-CD1 4.47Å; L70-L74 VanDerWaalsContact O-CB 3.24Å; L70-L74 WeakPolarHBondContact O-CB 3.27Å; L70-L74 WeakPolarHBondContact O-CG 3.26Å; L70-L74 PolarHBondContact O-N 3.08Å; L74-P76 VanDerWaalsContact O-CD 3.24Å; L74-P76 WeakPolarHBondContact O-CD 3.27Å |
| 75 | V | 97.9 | Very high | 97.9 | Very high | 16 Ų | 16 | 55.2 Ų | 55.2 | 10% | 0.097 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -85.2 | 110.6 | 178.6 | 179 | 0 | 0 | 0 | 0 | 109.4 | K71 N164 H169 N170 Y173 | K71-V75 HydrophobicContact CD-CG2 3.97Å; K71-V75 VanDerWaalsContact O-CB 3.28Å; K71-V75 WeakPolarHBondContact O-CB 3.46Å; K71-V75 VanDerWaalsContact O-CG2 3.28Å; K71-V75 WeakPolarHBondContact O-CG2 3.47Å; K71-V75 PolarHBondContact O-N 2.85Å; V75-N164 PolarHBondContact O-ND2 3.41Å; V75-H169 WeakPolarHBondContact CG1-CE1 3.22Å; V75-H169 WeakPolarHBondContact CG1-ND1 3.39Å; V75-N170 HydrophobicContact CB-CB 4.24Å; V75-N170 HydrophobicContact CG1-CB 4.18Å; V75-N170 PolarHBondContact O-ND2 3.47Å; V75-Y173 HydrophobicContact CB-CD2 4.1Å; V75-Y173 HydrophobicContact CB-CE2 3.99Å; V75-Y173 HydrophobicContact CG1-CD2 4.37Å; V75-Y173 HydrophobicContact CG1-CE2 3.94Å; V75-Y173 HydrophobicContact CG2-CD2 4.02Å; V75-Y173 HydrophobicContact CG2-CE2 3.66Å |
| 76 | P | 96.6 | Very high | 97.9 | Very high | 83 Ų | 83 | 55.5 Ų | 55.5 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 149.7 | -177.7 | 30.5 | -35.5 | 0 | 0 | 0 | 110.9 | L74 H169 | L74-P76 VanDerWaalsContact O-CD 3.24Å; L74-P76 WeakPolarHBondContact O-CD 3.27Å; P76-H169 PolarHBondContact O-ND1 3.38Å |
| 77 | P | 96.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 16% | 0.156 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 156.4 | 169.9 | 36.7 | -43.2 | 0 | 0 | 0 | 110.2 | L152 N164 C165 | P77-L152 HydrophobicContact CB-CB 4.48Å; P77-L152 HydrophobicContact CB-CD1 3.82Å; P77-L152 HydrophobicContact CB-CD2 3.73Å; P77-L152 HydrophobicContact CB-CG 4.22Å; P77-L152 HydrophobicContact CG-CD1 3.74Å; P77-L152 HydrophobicContact CG-CD2 3.54Å; P77-L152 HydrophobicContact CG-CG 4.25Å; P77-N164 VanDerWaalsContact CD-OD1 3.27Å; P77-N164 WeakPolarHBondContact CD-OD1 3.34Å; P77-C165 HydrophobicContact CB-CB 4.35Å; P77-C165 HydrophobicContact CG-CB 3.98Å |
| 78 | I | 97.6 | Very high | 97.6 | Very high | 64 Ų | 64 | 55.9 Ų | 55.9 | 33% | 0.328 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 134.6 | -179.3 | -64.9 | 173.9 | 0 | 0 | 0 | 109.7 | L152 L153 F168 H169 | I78-L152 WeakPolarHBondContact O-CA 3.18Å; I78-L153 HydrophobicContact CB-CD1 4.25Å; I78-L153 HydrophobicContact CG2-CD1 3.6Å; I78-L153 HydrophobicContact CG2-CG 4.25Å; I78-L153 PolarHBondContact O-N 3.42Å; I78-F168 HydrophobicContact CD1-CD1 4.44Å; I78-H169 HydrophobicContact CD1-CB 3.65Å; I78-H169 HydrophobicContact CG1-CB 3.73Å |
| 79 | Q | 98.1 | Very high | 97.5 | Very high | 105 Ų | 105 | 59.4 Ų | 59.4 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 155.8 | 173.6 | -65.7 | 179.6 | 51.6 | 0 | 0 | 110.9 | V150 L152 | Q79-V150 HydrophobicContact CG-CB 4.32Å; Q79-V150 HydrophobicContact CG-CG2 4.18Å; Q79-L152 HydrophobicContact CG-CD2 4.09Å |
| 80 | P | 98.3 | Very high | 97.4 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -49.9 | 139.1 | 171.9 | -30.1 | 36.4 | 0 | 0 | 0 | 113.4 | F84 L136 P139 C151 L153 | P80-F84 HydrophobicContact CB-CB 4.27Å; P80-L136 HydrophobicContact CB-CD2 4.24Å; P80-L136 HydrophobicContact CG-CD1 4.25Å; P80-L136 HydrophobicContact CG-CD2 4.08Å; P80-P139 HydrophobicContact CB-CG 3.77Å; P80-P139 HydrophobicContact CG-CG 3.98Å; P80-C151 WeakPolarHBondContact CD-O 3.41Å; P80-C151 HydrophobicContact CG-CB 3.82Å; P80-L153 HydrophobicContact CB-CD2 4.43Å; P80-L153 HydrophobicContact CG-CD2 4.17Å |
| 81 | P | 97.8 | Very high | 97.3 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 156 | 173 | -22.3 | 31.9 | 0 | 0 | 0 | 112.5 | Q83 F84 V294 | P81-Q83 HydrophobicContact CB-CG 4.25Å; P81-Q83 PolarHBondContact O-N 3.19Å; P81-F84 HydrophobicContact CB-CD2 4.25Å; P81-F84 HydrophobicContact CG-CD2 4.28Å; P81-F84 HydrophobicContact CG-CE2 4.24Å; P81-F84 WeakPolarHBondContact O-CB 3.09Å; P81-F84 PolarHBondContact O-N 3.21Å; P81-V294 HydrophobicContact CG-CG1 4.22Å |
| 82 | K | 96.8 | Very high | 97.2 | Very high | 190 Ų | 190 | 61.1 Ų | 61.1 | 83% | 0.826 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -55.4 | -30.7 | -176.2 | -68.9 | -175.8 | 179.3 | 179.2 | 0 | 114.5 | F84 H85 | K82-F84 PolarHBondContact O-N 3.42Å; K82-F84 VanDerWaalsContact O-N 3.13Å; K82-H85 WeakPolarHBondContact O-CB 3.49Å; K82-H85 PolarHBondContact O-N 2.9Å |
| 83 | Q | 97.1 | Very high | 97 | Very high | 98 Ų | 98 | 64 Ų | 64 | 46% | 0.458 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -59 | -23.6 | 178.7 | 69.2 | -166.9 | 28.8 | 0 | 0 | 114 | P81 R115 L117 | P81-Q83 HydrophobicContact CB-CG 4.25Å; P81-Q83 PolarHBondContact O-N 3.19Å; Q83-R115 PolarHBondContact O-NH1 3.14Å; Q83-L117 HydrophobicContact CB-CD2 4.08Å; Q83-L117 HydrophobicContact CG-CD2 3.72Å |
| 84 | F | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -83.9 | -17.1 | 176.6 | -70.7 | -88.2 | 0 | 0 | 0 | 113.2 | P80 P81 K82 L117 P118 V119 L136 I137 P139 V294 | P80-F84 HydrophobicContact CB-CB 4.27Å; P81-F84 HydrophobicContact CB-CD2 4.25Å; P81-F84 HydrophobicContact CG-CD2 4.28Å; P81-F84 HydrophobicContact CG-CE2 4.24Å; P81-F84 WeakPolarHBondContact O-CB 3.09Å; P81-F84 PolarHBondContact O-N 3.21Å; K82-F84 PolarHBondContact O-N 3.42Å; K82-F84 VanDerWaalsContact O-N 3.13Å; F84-L117 HydrophobicContact CD1-CD1 4.15Å; F84-L117 HydrophobicContact CD1-CD2 4.4Å; F84-L117 HydrophobicContact CE1-CB 4.23Å; F84-L117 HydrophobicContact CE1-CD1 4.49Å; F84-L117 HydrophobicContact CE1-CD2 4.34Å; F84-L117 HydrophobicContact CZ-CD2 4.45Å; F84-P118 HydrophobicContact CZ-CG 4.18Å; F84-V119 HydrophobicContact CD1-CG2 4.36Å; F84-V119 HydrophobicContact CE1-CG2 3.73Å; F84-L136 CarbonylContact O-C 3.43Å; F84-L136 VanDerWaalsContact O-CA 3.32Å; F84-L136 WeakPolarHBondContact O-CA 3.28Å; F84-L136 VanDerWaalsContact O-CB 3.31Å; F84-L136 WeakPolarHBondContact O-CB 3.27Å; F84-I137 WeakPolarHBondContact CB-O 3.48Å; F84-I137 WeakPolarHBondContact CD1-O 3.25Å; F84-I137 PolarHBondContact O-N 2.86Å; F84-P139 HydrophobicContact CB-CG 4.48Å; F84-P139 HydrophobicContact CD1-CB 4.24Å; F84-P139 HydrophobicContact CD1-CG 3.61Å; F84-P139 HydrophobicContact CD2-CG 3.96Å; F84-P139 HydrophobicContact CE1-CB 3.82Å; F84-P139 HydrophobicContact CE1-CG 3.66Å; F84-P139 HydrophobicContact CE2-CG 4.01Å; F84-P139 HydrophobicContact CG-CG 3.75Å; F84-P139 HydrophobicContact CZ-CB 3.97Å; F84-P139 HydrophobicContact CZ-CG 3.86Å; F84-V294 HydrophobicContact CE2-CB 4.34Å; F84-V294 HydrophobicContact CE2-CG1 3.93Å; F84-V294 HydrophobicContact CZ-CB 4.2Å; F84-V294 HydrophobicContact CZ-CG1 4.16Å |
| 85 | H | 98.2 | Very high | 96.7 | Very high | 69 Ų | 69 | 60.6 Ų | 60.6 | 32% | 0.319 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -73.7 | 138.2 | 177.7 | -73.8 | -103.4 | 0 | 0 | 0 | 110.6 | K82 R115 | K82-H85 WeakPolarHBondContact O-CB 3.49Å; K82-H85 PolarHBondContact O-N 2.9Å; H85-R115 PolarHBondContact O-NH1 3.47Å |
| 86 | L | 97.8 | Very high | 96.5 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -81 | 137.7 | 177.3 | -64 | 169.3 | 0 | 0 | 0 | 109.1 | E90 W91 L94 I111 V130 A135 I137 | L86-E90 WeakPolarHBondContact CA-OE2 3.39Å; L86-E90 HydrophobicContact CB-CB 4.3Å; L86-E90 HydrophobicContact CD2-CB 4.24Å; L86-W91 HydrophobicContact CB-CB 4.46Å; L86-W91 HydrophobicContact CB-CE3 4.44Å; L86-W91 HydrophobicContact CD1-CE3 3.56Å; L86-W91 HydrophobicContact CD1-CZ3 3.9Å; L86-L94 HydrophobicContact CD1-CD2 4.04Å; L86-I111 HydrophobicContact CD2-CD1 3.73Å; L86-I111 HydrophobicContact CD2-CG2 4.35Å; L86-V130 HydrophobicContact CD1-CG2 4.06Å; L86-A135 WeakPolarHBondContact CB-O 3.32Å; L86-A135 PolarHBondContact N-O 3.36Å; L86-I137 HydrophobicContact CD2-CD1 4.03Å; L86-I137 HydrophobicContact CD2-CG1 3.97Å; L86-I137 HydrophobicContact CG-CG1 4.44Å |
| 87 | T | 96.8 | Very high | 96.4 | Very high | 61 Ų | 61 | 60 Ų | 60 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 164.1 | 170.8 | 66.9 | 0 | 0 | 0 | 0 | 109.6 | S89 E90 W91 | T87-S89 VanDerWaalsContact C-N 3.28Å; T87-S89 PolarHBondContact O-N 3.43Å; T87-S89 PolarHBondContact OG1-OG 2.8Å; T87-S89 VanDerWaalsContact OG1-OG 3.12Å; T87-E90 PolarHBondContact N-OE2 3.35Å; T87-E90 PolarHBondContact O-N 2.85Å; T87-E90 VanDerWaalsContact OG1-CG 3.22Å; T87-E90 WeakPolarHBondContact OG1-CG 3.5Å; T87-E90 PolarHBondContact OG1-N 3.46Å; T87-E90 PolarHBondContact OG1-OE2 2.97Å; T87-W91 WeakPolarHBondContact O-CB 3.32Å; T87-W91 PolarHBondContact O-N 2.8Å |
| 88 | S | 95.2 | Very high | 96 | Very high | 92 Ų | 92 | 63.4 Ų | 63.4 | 64% | 0.643 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.2 | -39.1 | 179.5 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | W91 E92 | S88-W91 PolarHBondContact O-N 3.14Å; S88-E92 WeakPolarHBondContact O-CB 3.15Å; S88-E92 VanDerWaalsContact O-CG 3.25Å; S88-E92 WeakPolarHBondContact O-CG 3.32Å; S88-E92 PolarHBondContact O-N 3.22Å |
| 89 | S | 96.3 | Very high | 95.7 | Very high | 74 Ų | 74 | 63.8 Ų | 63.8 | 52% | 0.517 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68 | -40.6 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | T87 E92 S93 | T87-S89 VanDerWaalsContact C-N 3.28Å; T87-S89 PolarHBondContact O-N 3.43Å; T87-S89 PolarHBondContact OG1-OG 2.8Å; T87-S89 VanDerWaalsContact OG1-OG 3.12Å; S89-E92 PolarHBondContact O-N 3.39Å; S89-S93 WeakPolarHBondContact O-CB 3.43Å; S89-S93 PolarHBondContact O-N 3.05Å; S89-S93 PolarHBondContact O-OG 3.48Å |
| 90 | E | 96.6 | Very high | 95.4 | Very high | 31 Ų | 31 | 64.5 Ų | 64.5 | 15% | 0.145 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 175 | -72.1 | 163.1 | 179.1 | 0 | 0 | 111.4 | L86 T87 E92 S93 L94 I111 R115 | L86-E90 WeakPolarHBondContact CA-OE2 3.39Å; L86-E90 HydrophobicContact CB-CB 4.3Å; L86-E90 HydrophobicContact CD2-CB 4.24Å; T87-E90 PolarHBondContact N-OE2 3.35Å; T87-E90 PolarHBondContact O-N 2.85Å; T87-E90 VanDerWaalsContact OG1-CG 3.22Å; T87-E90 WeakPolarHBondContact OG1-CG 3.5Å; T87-E90 PolarHBondContact OG1-N 3.46Å; T87-E90 PolarHBondContact OG1-OE2 2.97Å; E90-E92 VanDerWaalsContact C-N 3.35Å; E90-S93 PolarHBondContact O-N 3.42Å; E90-L94 WeakPolarHBondContact O-CB 3.23Å; E90-L94 PolarHBondContact O-N 3.02Å; E90-I111 HydrophobicContact CB-CD1 3.95Å; E90-I111 HydrophobicContact CG-CD1 3.76Å; E90-I111 HydrophobicContact CG-CG1 4.35Å; E90-R115 IonicContact OE1-CZ 3.56Å; E90-R115 IonicContact OE1-NE 3.94Å; E90-R115 IonicContact OE1-NH2 2.59Å; E90-R115 PolarHBondContact OE1-NH2 3.07Å; E90-R115 IonicContact OE2-CZ 3.55Å; E90-R115 IonicContact OE2-NH1 3.94Å; E90-R115 IonicContact OE2-NH2 2.63Å; E90-R115 PolarHBondContact OE2-NH2 3.49Å |
| 91 | W | 95.9 | Very high | 95.1 | Very high | 35 Ų | 35 | 69.7 Ų | 69.7 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 176.8 | -173.4 | -109.8 | 0 | 0 | 0 | 111.6 | L86 T87 S88 L94 N95 V130 N132 A135 | L86-W91 HydrophobicContact CB-CB 4.46Å; L86-W91 HydrophobicContact CB-CE3 4.44Å; L86-W91 HydrophobicContact CD1-CE3 3.56Å; L86-W91 HydrophobicContact CD1-CZ3 3.9Å; T87-W91 WeakPolarHBondContact O-CB 3.32Å; T87-W91 PolarHBondContact O-N 2.8Å; S88-W91 PolarHBondContact O-N 3.14Å; W91-L94 HydrophobicContact CE3-CD2 4.08Å; W91-L94 HydrophobicContact CZ3-CD2 3.69Å; W91-L94 PolarHBondContact O-N 3.34Å; W91-N95 VanDerWaalsContact CD1-ND2 3.28Å; W91-N95 PolarHBondContact NE1-ND2 3.05Å; W91-N95 WeakPolarHBondContact O-CB 3.41Å; W91-N95 PolarHBondContact O-N 2.82Å; W91-N95 PolarHBondContact O-ND2 3.42Å; W91-V130 HydrophobicContact CZ3-CG2 4.07Å; W91-N132 HydrophobicContact CH2-CB 4.08Å; W91-N132 HydrophobicContact CZ2-CB 4.5Å; W91-A135 HydrophobicContact CD2-CB 3.72Å; W91-A135 HydrophobicContact CE3-CB 3.75Å; W91-A135 HydrophobicContact CG-CB 4.23Å; W91-A135 HydrophobicContact CZ3-CB 4.22Å |
| 92 | E | 95.6 | Very high | 94.9 | Very high | 122 Ų | 122 | 72.3 Ų | 72.3 | 57% | 0.57 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.7 | -44.1 | 174.5 | -75.7 | 168 | -170 | 0 | 0 | 111.6 | S88 S89 E90 L94 N95 A96 | S88-E92 WeakPolarHBondContact O-CB 3.15Å; S88-E92 VanDerWaalsContact O-CG 3.25Å; S88-E92 WeakPolarHBondContact O-CG 3.32Å; S88-E92 PolarHBondContact O-N 3.22Å; S89-E92 PolarHBondContact O-N 3.39Å; E90-E92 VanDerWaalsContact C-N 3.35Å; E92-L94 PolarHBondContact O-N 3.34Å; E92-N95 PolarHBondContact O-N 3.33Å; E92-A96 WeakPolarHBondContact O-CB 3.4Å; E92-A96 PolarHBondContact O-N 3.09Å |
| 93 | S | 95.2 | Very high | 94.8 | Very high | 60 Ų | 60 | 67.6 Ų | 67.6 | 42% | 0.42 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 176.4 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | S89 E90 N95 A96 A97 | S89-S93 WeakPolarHBondContact O-CB 3.43Å; S89-S93 PolarHBondContact O-N 3.05Å; S89-S93 PolarHBondContact O-OG 3.48Å; E90-S93 PolarHBondContact O-N 3.42Å; S93-N95 VanDerWaalsContact C-N 3.33Å; S93-N95 PolarHBondContact O-N 2.96Å; S93-A96 PolarHBondContact O-N 3.42Å; S93-A97 PolarHBondContact O-N 3.03Å |
| 94 | L | 95.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.7 | -167 | 76.3 | 0 | 0 | 0 | 112 | L86 E90 W91 E92 A97 Q104 I107 L108 V130 | L86-L94 HydrophobicContact CD1-CD2 4.04Å; E90-L94 WeakPolarHBondContact O-CB 3.23Å; E90-L94 PolarHBondContact O-N 3.02Å; W91-L94 HydrophobicContact CE3-CD2 4.08Å; W91-L94 HydrophobicContact CZ3-CD2 3.69Å; W91-L94 PolarHBondContact O-N 3.34Å; E92-L94 PolarHBondContact O-N 3.34Å; L94-A97 PolarHBondContact O-N 2.8Å; L94-Q104 HydrophobicContact CD1-CG 3.36Å; L94-Q104 HydrophobicContact CG-CG 3.96Å; L94-I107 HydrophobicContact CD1-CG2 4.46Å; L94-L108 HydrophobicContact CD1-CD1 4.07Å; L94-L108 HydrophobicContact CD1-CD2 3.66Å; L94-L108 HydrophobicContact CD1-CG 3.63Å; L94-L108 HydrophobicContact CD2-CD2 4.19Å; L94-V130 HydrophobicContact CD2-CG2 3.98Å |
| 95 | N | 93.5 | Very high | 94.5 | Very high | 70 Ų | 70 | 66.3 Ų | 66.3 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73.2 | -32.2 | 177.7 | -75 | -54.1 | 0 | 0 | 0 | 112.6 | W91 E92 S93 A97 V98 | W91-N95 VanDerWaalsContact CD1-ND2 3.28Å; W91-N95 PolarHBondContact NE1-ND2 3.05Å; W91-N95 WeakPolarHBondContact O-CB 3.41Å; W91-N95 PolarHBondContact O-N 2.82Å; W91-N95 PolarHBondContact O-ND2 3.42Å; E92-N95 PolarHBondContact O-N 3.33Å; S93-N95 VanDerWaalsContact C-N 3.33Å; S93-N95 PolarHBondContact O-N 2.96Å; N95-A97 PolarHBondContact O-N 2.91Å; N95-V98 WeakPolarHBondContact O-CB 3.16Å; N95-V98 WeakPolarHBondContact O-CG2 3.23Å; N95-V98 PolarHBondContact O-N 3.26Å |
| 96 | A | 94.4 | Very high | 94.4 | Very high | 84 Ų | 84 | 65.8 Ų | 65.8 | 69% | 0.694 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -65.3 | -28.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E92 S93 V98 | E92-A96 WeakPolarHBondContact O-CB 3.4Å; E92-A96 PolarHBondContact O-N 3.09Å; S93-A96 PolarHBondContact O-N 3.42Å; A96-V98 VanDerWaalsContact C-N 3.31Å |
| 97 | A | 92.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.008 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 6.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S93 L94 N95 G99 K100 E103 Q104 I107 | S93-A97 PolarHBondContact O-N 3.03Å; L94-A97 PolarHBondContact O-N 2.8Å; N95-A97 PolarHBondContact O-N 2.91Å; A97-G99 PolarHBondContact O-N 3.08Å; A97-K100 WeakPolarHBondContact O-CA 3.39Å; A97-K100 WeakPolarHBondContact O-CB 3.47Å; A97-K100 PolarHBondContact O-N 3.11Å; A97-E103 HydrophobicContact CB-CB 4.39Å; A97-E103 HydrophobicContact CB-CG 4.17Å; A97-Q104 HydrophobicContact CB-CB 4.17Å; A97-I107 HydrophobicContact CB-CD1 4.03Å |
| 98 | V | 89.7 | Confident | 94.4 | Very high | 96 Ų | 96 | 64.1 Ų | 64.1 | 58% | 0.582 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 132.4 | 177.7 | 169.4 | 0 | 0 | 0 | 0 | 110.4 | N95 A96 K100 | N95-V98 WeakPolarHBondContact O-CB 3.16Å; N95-V98 WeakPolarHBondContact O-CG2 3.23Å; N95-V98 PolarHBondContact O-N 3.26Å; A96-V98 VanDerWaalsContact C-N 3.31Å; V98-K100 VanDerWaalsContact C-N 3.29Å |
| 99 | G | 90 | Very high | 94.4 | Very high | 73 Ų | 73 | 62.6 Ų | 62.6 | 75% | 0.753 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | -11.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A97 | A97-G99 PolarHBondContact O-N 3.08Š|
| 100 | K | 93.4 | Very high | 94.5 | Very high | 119 Ų | 119 | 61.8 Ų | 61.8 | 52% | 0.517 | 37% | 0.368 | S | S | . | . | trans | -114.2 | 78.7 | 175.5 | -57.9 | -179.4 | -174 | 171.6 | 0 | 110.3 | A97 V98 S102 E103 Q104 | A97-K100 WeakPolarHBondContact O-CA 3.39Å; A97-K100 WeakPolarHBondContact O-CB 3.47Å; A97-K100 PolarHBondContact O-N 3.11Å; V98-K100 VanDerWaalsContact C-N 3.29Å; K100-S102 VanDerWaalsContact C-N 3.33Å; K100-S102 PolarHBondContact O-N 2.86Å; K100-E103 HydrophobicContact CB-CB 4.01Å; K100-E103 WeakPolarHBondContact CD-OE2 3.35Å; K100-E103 IonicContact NZ-OE2 3.52Å; K100-E103 PolarHBondContact NZ-OE2 2.81Å; K100-E103 PolarHBondContact O-N 2.6Å; K100-E103 VanDerWaalsContact O-N 3.13Å; K100-Q104 PolarHBondContact O-N 3.15Å | ||
| 101 | E | 90.8 | Very high | 94.5 | Very high | 118 Ų | 118 | 60.7 Ų | 60.7 | 55% | 0.551 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -58.6 | -39.1 | -167.6 | -55 | -163.6 | 141.4 | 0 | 0 | 114.8 | N105 K127 | E101-N105 WeakPolarHBondContact O-CB 3.46Å; E101-N105 PolarHBondContact O-N 3.12Å; E101-K127 HydrophobicContact CB-CD 4.32Å; E101-K127 IonicContact OE1-NZ 3.54Å; E101-K127 PolarHBondContact OE1-NZ 2.75Å; E101-K127 WeakPolarHBondContact OE2-CE 3.35Å; E101-K127 IonicContact OE2-NZ 3.91Å; E101-K127 PolarHBondContact OE2-NZ 2.62Å |
| 102 | S | 92.9 | Very high | 94.6 | Very high | 105 Ų | 105 | 59.5 Ų | 59.5 | 73% | 0.734 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.9 | -43.4 | 178 | -176 | 0 | 0 | 0 | 0 | 111.9 | K100 N105 A106 | K100-S102 VanDerWaalsContact C-N 3.33Å; K100-S102 PolarHBondContact O-N 2.86Å; S102-N105 PolarHBondContact O-N 3.13Å; S102-A106 WeakPolarHBondContact O-CB 3.44Å; S102-A106 PolarHBondContact O-N 3.02Å |
| 103 | E | 94.7 | Very high | 94.7 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.2 | -43.9 | 177.6 | -171.8 | 176.9 | 164.8 | 0 | 0 | 110.6 | A97 K100 N105 A106 I107 | A97-E103 HydrophobicContact CB-CB 4.39Å; A97-E103 HydrophobicContact CB-CG 4.17Å; K100-E103 HydrophobicContact CB-CB 4.01Å; K100-E103 WeakPolarHBondContact CD-OE2 3.35Å; K100-E103 IonicContact NZ-OE2 3.52Å; K100-E103 PolarHBondContact NZ-OE2 2.81Å; K100-E103 PolarHBondContact O-N 2.6Å; K100-E103 VanDerWaalsContact O-N 3.13Å; E103-N105 PolarHBondContact O-N 2.75Å; E103-A106 PolarHBondContact O-N 3.34Å; E103-I107 WeakPolarHBondContact O-CG1 3.26Å; E103-I107 PolarHBondContact O-N 3.39Å |
| 104 | Q | 94.6 | Very high | 94.8 | Very high | 39 Ų | 39 | 63.4 Ų | 63.4 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -59 | -47 | 175.8 | -168.9 | -176.5 | 30.6 | 0 | 0 | 111.8 | L94 A97 K100 I107 L108 | L94-Q104 HydrophobicContact CD1-CG 3.36Å; L94-Q104 HydrophobicContact CG-CG 3.96Å; A97-Q104 HydrophobicContact CB-CB 4.17Å; K100-Q104 PolarHBondContact O-N 3.15Å; Q104-I107 PolarHBondContact O-N 2.99Å; Q104-L108 WeakPolarHBondContact O-CG 3.42Å; Q104-L108 PolarHBondContact O-N 2.87Å |
| 105 | N | 95.6 | Very high | 94.9 | Very high | 32 Ų | 32 | 66.6 Ų | 66.6 | 17% | 0.171 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 178.9 | -164.9 | 69.7 | 0 | 0 | 0 | 111.7 | E101 S102 E103 I107 L108 E109 K127 I128 | E101-N105 WeakPolarHBondContact O-CB 3.46Å; E101-N105 PolarHBondContact O-N 3.12Å; S102-N105 PolarHBondContact O-N 3.13Å; E103-N105 PolarHBondContact O-N 2.75Å; N105-I107 PolarHBondContact O-N 2.78Å; N105-L108 WeakPolarHBondContact O-CB 3.45Å; N105-L108 PolarHBondContact O-N 3.44Å; N105-E109 VanDerWaalsContact O-CG 3.32Å; N105-E109 WeakPolarHBondContact O-CG 3.37Å; N105-E109 PolarHBondContact O-N 2.88Å; N105-K127 HydrophobicContact CB-CB 4.5Å; N105-K127 HydrophobicContact CB-CG 4.23Å; N105-K127 WeakPolarHBondContact OD1-CA 3.28Å; N105-K127 WeakPolarHBondContact OD1-CB 3.22Å; N105-I128 PolarHBondContact OD1-N 2.81Å |
| 106 | A | 96.3 | Very high | 95.1 | Very high | 57 Ų | 57 | 70 Ų | 70 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S102 E103 L108 E109 A110 | S102-A106 WeakPolarHBondContact O-CB 3.44Å; S102-A106 PolarHBondContact O-N 3.02Å; E103-A106 PolarHBondContact O-N 3.34Å; A106-L108 VanDerWaalsContact C-N 3.34Å; A106-E109 PolarHBondContact O-N 3.31Å; A106-A110 PolarHBondContact O-N 2.82Å |
| 107 | I | 96.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 66.3 Ų | 66.3 | 21% | 0.21 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 173.2 | -66.8 | 165.9 | 0 | 0 | 0 | 110.4 | L94 A97 E103 Q104 N105 A110 I111 | L94-I107 HydrophobicContact CD1-CG2 4.46Å; A97-I107 HydrophobicContact CB-CD1 4.03Å; E103-I107 WeakPolarHBondContact O-CG1 3.26Å; E103-I107 PolarHBondContact O-N 3.39Å; Q104-I107 PolarHBondContact O-N 2.99Å; N105-I107 PolarHBondContact O-N 2.78Å; I107-A110 PolarHBondContact O-N 2.77Å; I107-I111 HydrophobicContact CG2-CD1 4.02Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 2.74Å; I107-I111 VanDerWaalsContact O-N 3.13Å |
| 108 | L | 97.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 178.5 | -65.3 | 170.7 | 0 | 0 | 0 | 112 | L94 Q104 N105 A106 A110 I111 V112 I128 I137 | L94-L108 HydrophobicContact CD1-CD1 4.07Å; L94-L108 HydrophobicContact CD1-CD2 3.66Å; L94-L108 HydrophobicContact CD1-CG 3.63Å; L94-L108 HydrophobicContact CD2-CD2 4.19Å; Q104-L108 WeakPolarHBondContact O-CG 3.42Å; Q104-L108 PolarHBondContact O-N 2.87Å; N105-L108 WeakPolarHBondContact O-CB 3.45Å; N105-L108 PolarHBondContact O-N 3.44Å; A106-L108 VanDerWaalsContact C-N 3.34Å; L108-A110 VanDerWaalsContact C-N 3.35Å; L108-I111 PolarHBondContact O-N 3.17Å; L108-V112 WeakPolarHBondContact O-CG2 3.5Å; L108-V112 PolarHBondContact O-N 2.96Å; L108-I128 HydrophobicContact CB-CB 3.99Å; L108-I128 HydrophobicContact CB-CD1 3.68Å; L108-I128 HydrophobicContact CB-CG1 4.42Å; L108-I128 HydrophobicContact CB-CG2 4.14Å; L108-I128 HydrophobicContact CD1-CB 3.97Å; L108-I128 HydrophobicContact CD1-CG2 4.2Å; L108-I137 HydrophobicContact CD2-CD1 4.19Å; L108-I137 HydrophobicContact CD2-CG1 3.97Å |
| 109 | E | 96.3 | Very high | 95.8 | Very high | 60 Ų | 60 | 62.4 Ų | 62.4 | 28% | 0.28 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 176.9 | -71.9 | -65.7 | 174.1 | 0 | 0 | 111.8 | N105 A106 V112 T113 I128 R254 | N105-E109 VanDerWaalsContact O-CG 3.32Å; N105-E109 WeakPolarHBondContact O-CG 3.37Å; N105-E109 PolarHBondContact O-N 2.88Å; A106-E109 PolarHBondContact O-N 3.31Å; E109-V112 PolarHBondContact O-N 3.23Å; E109-T113 WeakPolarHBondContact O-CB 3.31Å; E109-T113 PolarHBondContact O-N 3.45Å; E109-T113 PolarHBondContact O-OG1 3.49Å; E109-I128 HydrophobicContact CB-CD1 4.39Å; E109-I128 HydrophobicContact CG-CD1 3.81Å; E109-I128 WeakPolarHBondContact OE1-CD1 3.2Å; E109-R254 VanDerWaalsContact CD-NH1 3.32Å; E109-R254 IonicContact OE1-CZ 2.75Å; E109-R254 IonicContact OE1-NH1 3.55Å; E109-R254 PolarHBondContact OE1-NH1 3.4Å; E109-R254 IonicContact OE2-CZ 3.83Å; E109-R254 IonicContact OE2-NH1 3.26Å; E109-R254 PolarHBondContact OE2-NH1 3.4Å |
| 110 | A | 97.4 | Very high | 96.1 | Very high | 58 Ų | 58 | 64.8 Ų | 64.8 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A106 I107 L108 T113 E114 | A106-A110 PolarHBondContact O-N 2.82Å; I107-A110 PolarHBondContact O-N 2.77Å; L108-A110 VanDerWaalsContact C-N 3.35Å; A110-T113 PolarHBondContact O-N 3.14Å; A110-E114 WeakPolarHBondContact O-CB 3.4Å; A110-E114 PolarHBondContact O-N 3.45Å |
| 111 | I | 97.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 179.1 | -65.3 | 167.6 | 0 | 0 | 0 | 111.5 | L86 E90 I107 L108 T113 R115 I137 | L86-I111 HydrophobicContact CD2-CD1 3.73Å; L86-I111 HydrophobicContact CD2-CG2 4.35Å; E90-I111 HydrophobicContact CB-CD1 3.95Å; E90-I111 HydrophobicContact CG-CD1 3.76Å; E90-I111 HydrophobicContact CG-CG1 4.35Å; I107-I111 HydrophobicContact CG2-CD1 4.02Å; I107-I111 WeakPolarHBondContact O-CG1 3.41Å; I107-I111 PolarHBondContact O-N 2.74Å; I107-I111 VanDerWaalsContact O-N 3.13Å; L108-I111 PolarHBondContact O-N 3.17Å; I111-T113 VanDerWaalsContact C-N 3.28Å; I111-T113 PolarHBondContact O-N 3.46Å; I111-R115 WeakPolarHBondContact O-CB 3.38Å; I111-R115 WeakPolarHBondContact O-CG 3.26Å; I111-R115 PolarHBondContact O-N 2.68Å; I111-R115 VanDerWaalsContact O-N 3.12Å; I111-I137 HydrophobicContact CB-CD1 4.16Å; I111-I137 HydrophobicContact CG2-CD1 3.69Å |
| 112 | V | 97.5 | Very high | 96.5 | Very high | 10 Ų | 10 | 53.9 Ų | 53.9 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 177 | 165.9 | 0 | 0 | 0 | 0 | 110.6 | L108 E109 N116 L117 I128 I137 | L108-V112 WeakPolarHBondContact O-CG2 3.5Å; L108-V112 PolarHBondContact O-N 2.96Å; E109-V112 PolarHBondContact O-N 3.23Å; V112-N116 WeakPolarHBondContact O-CA 3.2Å; V112-N116 PolarHBondContact O-N 3.14Å; V112-L117 HydrophobicContact CG1-CB 4.27Å; V112-L117 HydrophobicContact CG2-CD1 4.4Å; V112-L117 PolarHBondContact O-N 3.07Å; V112-I128 HydrophobicContact CG2-CD1 3.95Å; V112-I137 HydrophobicContact CG2-CD1 4.02Å; V112-I137 HydrophobicContact CG2-CG2 4.34Å |
| 113 | T | 97 | Very high | 96.5 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 65% | 0.65 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -70 | -49 | -178.1 | -58 | 0 | 0 | 0 | 0 | 111.6 | E109 A110 I111 R115 N116 | E109-T113 WeakPolarHBondContact O-CB 3.31Å; E109-T113 PolarHBondContact O-N 3.45Å; E109-T113 PolarHBondContact O-OG1 3.49Å; A110-T113 PolarHBondContact O-N 3.14Å; I111-T113 VanDerWaalsContact C-N 3.28Å; I111-T113 PolarHBondContact O-N 3.46Å; T113-R115 VanDerWaalsContact C-N 3.26Å; T113-R115 PolarHBondContact O-N 3.36Å; T113-N116 PolarHBondContact O-N 3.22Å; T113-N116 VanDerWaalsContact O-N 3.17Å |
| 114 | E | 97.4 | Very high | 96.3 | Very high | 157 Ų | 157 | 50.4 Ų | 50.4 | 73% | 0.734 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -56.9 | -41.2 | 179.6 | -177.2 | -174.4 | 171.1 | 0 | 0 | 111.9 | A110 | A110-E114 WeakPolarHBondContact O-CB 3.4Å; A110-E114 PolarHBondContact O-N 3.45Å |
| 115 | R | 97.3 | Very high | 96.2 | Very high | 69 Ų | 69 | 53 Ų | 53 | 26% | 0.26 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -0.9 | -177.5 | -62.4 | 175.6 | -176.1 | -170.5 | 0.3 | 114 | Q83 H85 E90 I111 T113 L117 | Q83-R115 PolarHBondContact O-NH1 3.14Å; H85-R115 PolarHBondContact O-NH1 3.47Å; E90-R115 IonicContact OE1-CZ 3.56Å; E90-R115 IonicContact OE1-NE 3.94Å; E90-R115 IonicContact OE1-NH2 2.59Å; E90-R115 PolarHBondContact OE1-NH2 3.07Å; E90-R115 IonicContact OE2-CZ 3.55Å; E90-R115 IonicContact OE2-NH1 3.94Å; E90-R115 IonicContact OE2-NH2 2.63Å; E90-R115 PolarHBondContact OE2-NH2 3.49Å; I111-R115 WeakPolarHBondContact O-CB 3.38Å; I111-R115 WeakPolarHBondContact O-CG 3.26Å; I111-R115 PolarHBondContact O-N 2.68Å; I111-R115 VanDerWaalsContact O-N 3.12Å; T113-R115 VanDerWaalsContact C-N 3.26Å; T113-R115 PolarHBondContact O-N 3.36Å; R115-L117 VanDerWaalsContact C-N 3.3Å; R115-L117 HydrophobicContact CB-CD1 4.44Å; R115-L117 HydrophobicContact CB-CD2 3.98Å; R115-L117 HydrophobicContact CB-CG 3.82Å; R115-L117 PolarHBondContact O-N 2.88Å |
| 116 | N | 96.9 | Very high | 96 | Very high | 141 Ų | 141 | 53.1 Ų | 53.1 | 75% | 0.754 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 48.4 | -174.4 | -167.7 | 38.5 | 0 | 0 | 0 | 112.9 | V112 T113 | V112-N116 WeakPolarHBondContact O-CA 3.2Å; V112-N116 PolarHBondContact O-N 3.14Å; T113-N116 PolarHBondContact O-N 3.22Å; T113-N116 VanDerWaalsContact O-N 3.17Å |
| 117 | L | 97.7 | Very high | 95.9 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | trans | -75.6 | 132.5 | -179 | -60.1 | 179.5 | 0 | 0 | 0 | 110.7 | Q83 F84 V112 R115 V119 I137 | Q83-L117 HydrophobicContact CB-CD2 4.08Å; Q83-L117 HydrophobicContact CG-CD2 3.72Å; F84-L117 HydrophobicContact CD1-CD1 4.15Å; F84-L117 HydrophobicContact CD1-CD2 4.4Å; F84-L117 HydrophobicContact CE1-CB 4.23Å; F84-L117 HydrophobicContact CE1-CD1 4.49Å; F84-L117 HydrophobicContact CE1-CD2 4.34Å; F84-L117 HydrophobicContact CZ-CD2 4.45Å; V112-L117 HydrophobicContact CG1-CB 4.27Å; V112-L117 HydrophobicContact CG2-CD1 4.4Å; V112-L117 PolarHBondContact O-N 3.07Å; R115-L117 VanDerWaalsContact C-N 3.3Å; R115-L117 HydrophobicContact CB-CD1 4.44Å; R115-L117 HydrophobicContact CB-CD2 3.98Å; R115-L117 HydrophobicContact CB-CG 3.82Å; R115-L117 PolarHBondContact O-N 2.88Å; L117-V119 HydrophobicContact CB-CG2 4.06Å; L117-V119 PolarHBondContact O-N 3.16Å; L117-I137 HydrophobicContact CD1-CD1 4.15Å | ||
| 118 | P | 96.4 | Very high | 95.9 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 8% | 0.078 | 28% | 0.28 | C | S | . | . | trans | -76.9 | 72.9 | 177.3 | 33.1 | -36 | 0 | 0 | 0 | 110.3 | F84 Y120 N295 | F84-P118 HydrophobicContact CZ-CG 4.18Å; P118-Y120 HydrophobicContact CB-CE2 3.99Å; P118-N295 WeakPolarHBondContact CB-OD1 3.38Å | ||
| 119 | V | 97.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | trans | -121.9 | 107.9 | 178.3 | -178 | 0 | 0 | 0 | 0 | 107.5 | F84 L117 I137 R254 | F84-V119 HydrophobicContact CD1-CG2 4.36Å; F84-V119 HydrophobicContact CE1-CG2 3.73Å; L117-V119 HydrophobicContact CB-CG2 4.06Å; L117-V119 PolarHBondContact O-N 3.16Å; V119-I137 HydrophobicContact CG2-CG2 4.1Å; V119-R254 VanDerWaalsContact CB-NH2 3.31Å; V119-R254 PolarHBondContact O-NE 3.2Å; V119-R254 PolarHBondContact O-NH2 2.9Å | ||
| 120 | Y | 96.4 | Very high | 96 | Very high | 123 Ų | 123 | 50.7 Ų | 50.7 | 48% | 0.482 | 28% | 0.283 | S | S | . | . | trans | -116.2 | -12.2 | -177.6 | -55.6 | -80.4 | 0 | 0 | 0 | 112.1 | P118 D140 L253 R254 Y298 | P118-Y120 HydrophobicContact CB-CE2 3.99Å; Y120-D140 PolarHBondContact N-OD1 3.05Å; Y120-D140 PolarHBondContact N-OD2 2.85Å; Y120-L253 WeakPolarHBondContact O-CA 3.29Å; Y120-R254 WeakPolarHBondContact O-CG 3.46Å; Y120-R254 PolarHBondContact O-N 3.44Å; Y120-Y298 AromaticContact CD2-CE2 3.81Å; Y120-Y298 HydrophobicContact CD2-CE2 3.81Å; Y120-Y298 HydrophobicContact CE2-CE2 4.41Å; Y120-Y298 HydrophobicContact CG-CE2 4.39Å | ||
| 121 | L | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -90.5 | 154.3 | 178.4 | -56.4 | -176.1 | 0 | 0 | 0 | 112.9 | D140 P251 R252 L253 L262 F263 Y298 | L121-D140 VanDerWaalsContact CB-OD1 3.28Å; L121-D140 WeakPolarHBondContact CB-OD1 3.49Å; L121-D140 HydrophobicContact CD1-CB 3.98Å; L121-D140 HydrophobicContact CG-CB 4.05Å; L121-D140 WeakPolarHBondContact CG-OD1 3.36Å; L121-D140 PolarHBondContact N-OD1 3.45Å; L121-P251 HydrophobicContact CD1-CB 4.07Å; L121-P251 HydrophobicContact CD2-CB 4.22Å; L121-R252 CarbonylContact C-O 3.48Å; L121-R252 WeakPolarHBondContact CA-O 3.45Å; L121-R252 WeakPolarHBondContact CD2-O 3.24Å; L121-L253 HydrophobicContact CD2-CD2 4.23Å; L121-L262 HydrophobicContact CD2-CD2 3.49Å; L121-L262 VanDerWaalsContact CD2-CD2 3.49Å; L121-F263 HydrophobicContact CD1-CE2 4.36Å; L121-F263 HydrophobicContact CD1-CZ 4.04Å; L121-F263 HydrophobicContact CD2-CZ 4.44Å; L121-Y298 HydrophobicContact CD2-CE1 4.23Å |
| 122 | S | 95.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -117.5 | 166.4 | 170.6 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | G126 K127 R252 | S122-G126 WeakPolarHBondContact CB-O 3.35Å; S122-K127 CarbonylContact C-O 3.59Å; S122-K127 VanDerWaalsContact CA-O 3.25Å; S122-K127 WeakPolarHBondContact CA-O 3.3Å; S122-K127 WeakPolarHBondContact CB-O 3.49Å; S122-R252 PolarHBondContact N-O 3.49Å; S122-R252 WeakPolarHBondContact OG-CD 3.42Å |
| 123 | G | 94.1 | Very high | 95.8 | Very high | 16 Ų | 16 | 56 Ų | 56 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | trans | -71.4 | 179.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D125 G126 K127 | G123-D125 PolarHBondContact O-N 3.05Å; G123-G126 PolarHBondContact O-N 3.26Å; G123-K127 PolarHBondContact N-O 3.48Å | ||
| 124 | S | 90.5 | Very high | 95.8 | Very high | 109 Ų | 109 | 52.2 Ų | 52.2 | 76% | 0.762 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -26.9 | 173.6 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | G126 R252 | S124-G126 VanDerWaalsContact C-N 3.26Å; S124-R252 PolarHBondContact O-NH1 3.49Å |
| 125 | D | 91.5 | Very high | 95.8 | Very high | 92 Ų | 92 | 45.7 Ų | 45.7 | 49% | 0.492 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 2.5 | 173.8 | 65.8 | -19.3 | 0 | 0 | 0 | 113.4 | G123 K127 | G123-D125 PolarHBondContact O-N 3.05Å; D125-K127 VanDerWaalsContact C-N 3.27Å; D125-K127 PolarHBondContact O-N 2.95Å; D125-K127 PolarHBondContact OD1-N 3.42Å; D125-K127 VanDerWaalsContact OD2-CD 3.26Å; D125-K127 WeakPolarHBondContact OD2-CD 3.32Å; D125-K127 VanDerWaalsContact OD2-CE 3.26Å; D125-K127 WeakPolarHBondContact OD2-CE 3.15Å; D125-K127 IonicContact OD2-NZ 3.37Å; D125-K127 PolarHBondContact OD2-NZ 2.86Å |
| 126 | G | 92 | Very high | 95.8 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 36% | 0.361 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 79.9 | 1.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S122 G123 S124 | S122-G126 WeakPolarHBondContact CB-O 3.35Å; G123-G126 PolarHBondContact O-N 3.26Å; S124-G126 VanDerWaalsContact C-N 3.26Å |
| 127 | K | 94.2 | Very high | 95.9 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -95.2 | 163.9 | -176.9 | -61.5 | 174.4 | -143.1 | 147.1 | 0 | 112.7 | E101 N105 S122 G123 D125 R129 | E101-K127 HydrophobicContact CB-CD 4.32Å; E101-K127 IonicContact OE1-NZ 3.54Å; E101-K127 PolarHBondContact OE1-NZ 2.75Å; E101-K127 WeakPolarHBondContact OE2-CE 3.35Å; E101-K127 IonicContact OE2-NZ 3.91Å; E101-K127 PolarHBondContact OE2-NZ 2.62Å; N105-K127 HydrophobicContact CB-CB 4.5Å; N105-K127 HydrophobicContact CB-CG 4.23Å; N105-K127 WeakPolarHBondContact OD1-CA 3.28Å; N105-K127 WeakPolarHBondContact OD1-CB 3.22Å; S122-K127 CarbonylContact C-O 3.59Å; S122-K127 VanDerWaalsContact CA-O 3.25Å; S122-K127 WeakPolarHBondContact CA-O 3.3Å; S122-K127 WeakPolarHBondContact CB-O 3.49Å; G123-K127 PolarHBondContact N-O 3.48Å; D125-K127 VanDerWaalsContact C-N 3.27Å; D125-K127 PolarHBondContact O-N 2.95Å; D125-K127 PolarHBondContact OD1-N 3.42Å; D125-K127 VanDerWaalsContact OD2-CD 3.26Å; D125-K127 WeakPolarHBondContact OD2-CD 3.32Å; D125-K127 VanDerWaalsContact OD2-CE 3.26Å; D125-K127 WeakPolarHBondContact OD2-CE 3.15Å; D125-K127 IonicContact OD2-NZ 3.37Å; D125-K127 PolarHBondContact OD2-NZ 2.86Å; K127-R129 PolarHBondContact O-N 3.48Å |
| 128 | I | 97 | Very high | 95.9 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -58.5 | 131.8 | 170.1 | -70 | 170.1 | 0 | 0 | 0 | 109.6 | N105 L108 E109 V112 V130 I137 | N105-I128 PolarHBondContact OD1-N 2.81Å; L108-I128 HydrophobicContact CB-CB 3.99Å; L108-I128 HydrophobicContact CB-CD1 3.68Å; L108-I128 HydrophobicContact CB-CG1 4.42Å; L108-I128 HydrophobicContact CB-CG2 4.14Å; L108-I128 HydrophobicContact CD1-CB 3.97Å; L108-I128 HydrophobicContact CD1-CG2 4.2Å; E109-I128 HydrophobicContact CB-CD1 4.39Å; E109-I128 HydrophobicContact CG-CD1 3.81Å; E109-I128 WeakPolarHBondContact OE1-CD1 3.2Å; V112-I128 HydrophobicContact CG2-CD1 3.95Å; I128-V130 PolarHBondContact O-N 3.3Å; I128-I137 HydrophobicContact CG2-CG2 3.74Å |
| 129 | R | 97.5 | Very high | 96 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 17% | 0.17 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -75 | 118.3 | -179.1 | -67.7 | 168.8 | 50.4 | 162.7 | -0.4 | 110.5 | K127 K138 S142 H143 | K127-R129 PolarHBondContact O-N 3.48Å; R129-K138 HydrophobicContact CB-CB 4.05Å; R129-K138 HydrophobicContact CB-CD 4.22Å; R129-K138 WeakPolarHBondContact O-CB 3.48Å; R129-K138 PolarHBondContact O-N 3.09Å; R129-S142 PolarHBondContact NH2-O 2.81Å; R129-H143 PolarHBondContact NH2-CD2 3.22Å; R129-H143 PolarHBondContact NH2-CE1 3.18Å; R129-H143 PolarHBondContact NH2-ND1 3.38Å; R129-H143 PolarHBondContact NH2-NE2 2.97Å |
| 130 | V | 97.5 | Very high | 96 | Very high | 30 Ų | 30 | 36.8 Ų | 36.8 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 155.3 | 173.1 | 67.6 | 0 | 0 | 0 | 0 | 111.2 | L86 W91 L94 I128 L136 K138 | L86-V130 HydrophobicContact CD1-CG2 4.06Å; W91-V130 HydrophobicContact CZ3-CG2 4.07Å; L94-V130 HydrophobicContact CD2-CG2 3.98Å; I128-V130 PolarHBondContact O-N 3.3Å; V130-L136 VanDerWaalsContact CG2-O 3.32Å; V130-L136 WeakPolarHBondContact CG2-O 3.24Å; V130-K138 VanDerWaalsContact O-CE 3.3Å; V130-K138 WeakPolarHBondContact O-CE 3.18Å; V130-K138 PolarHBondContact O-NZ 2.89Å |
| 131 | C | 97.7 | Very high | 96.1 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 113.9 | 167.2 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | V133 C134 A135 L136 K138 H144 C151 | C131-V133 VanDerWaalsContact C-N 3.3Å; C131-V133 PolarHBondContact O-N 2.88Å; C131-C134 HydrophobicContact CB-CB 4.13Å; C131-C134 PolarHBondContact SG-N 2.78Å; C131-C134 VanDerWaalsContact SG-N 3.36Å; C131-A135 WeakPolarHBondContact O-CA 3.28Å; C131-A135 PolarHBondContact O-N 3.37Å; C131-L136 HydrophobicContact CB-CD1 4.2Å; C131-L136 HydrophobicContact CB-CG 4.2Å; C131-L136 PolarHBondContact N-O 3.18Å; C131-L136 PolarHBondContact O-N 2.63Å; C131-K138 HydrophobicContact CB-CD 4.49Å; C131-K138 HydrophobicContact CB-CG 4.14Å; C131-H144 PolarHBondContact SG-ND1 3.07Å; C131-C151 WeakPolarHBondContact CB-SG 3.3Å; C131-C151 PolarHBondContact SG-SG 3.43Å |
| 132 | N | 95 | Very high | 96.2 | Very high | 103 Ų | 103 | 30.9 Ų | 30.9 | 55% | 0.551 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -24.7 | -180 | -60.9 | -18.5 | 0 | 0 | 0 | 113.9 | W91 | W91-N132 HydrophobicContact CH2-CB 4.08Å; W91-N132 HydrophobicContact CZ2-CB 4.5Å |
| 133 | V | 95.2 | Very high | 96.3 | Very high | 80 Ų | 80 | 32.3 Ų | 32.3 | 49% | 0.485 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -43.7 | 178.4 | -178.1 | 0 | 0 | 0 | 0 | 111 | C131 | C131-V133 VanDerWaalsContact C-N 3.3Å; C131-V133 PolarHBondContact O-N 2.88Å |
| 134 | C | 96.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 33.9 Ų | 33.9 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -7.3 | -178.3 | -60 | 0 | 0 | 0 | 0 | 113.8 | C131 L136 H144 C151 | C131-C134 HydrophobicContact CB-CB 4.13Å; C131-C134 PolarHBondContact SG-N 2.78Å; C131-C134 VanDerWaalsContact SG-N 3.36Å; C134-L136 HydrophobicContact CB-CD2 3.49Å; C134-L136 VanDerWaalsContact CB-CD2 3.49Å; C134-L136 HydrophobicContact CB-CG 3.77Å; C134-L136 PolarHBondContact O-N 2.78Å; C134-H144 VanDerWaalsContact SG-CE1 3.57Å; C134-H144 PolarHBondContact SG-ND1 2.79Å; C134-C151 PolarHBondContact SG-N 3.3Å; C134-C151 VanDerWaalsContact SG-N 3.42Å |
| 135 | A | 97.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 28.9 Ų | 28.9 | 16% | 0.157 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 56 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L86 W91 C131 | L86-A135 WeakPolarHBondContact CB-O 3.32Å; L86-A135 PolarHBondContact N-O 3.36Å; W91-A135 HydrophobicContact CD2-CB 3.72Å; W91-A135 HydrophobicContact CE3-CB 3.75Å; W91-A135 HydrophobicContact CG-CB 4.23Å; W91-A135 HydrophobicContact CZ3-CB 4.22Å; C131-A135 WeakPolarHBondContact O-CA 3.28Å; C131-A135 PolarHBondContact O-N 3.37Å |
| 136 | L | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 151.3 | -179.4 | 65.8 | 83.1 | 0 | 0 | 0 | 112.1 | P80 F84 V130 C131 C134 K138 C151 | P80-L136 HydrophobicContact CB-CD2 4.24Å; P80-L136 HydrophobicContact CG-CD1 4.25Å; P80-L136 HydrophobicContact CG-CD2 4.08Å; F84-L136 CarbonylContact O-C 3.43Å; F84-L136 VanDerWaalsContact O-CA 3.32Å; F84-L136 WeakPolarHBondContact O-CA 3.28Å; F84-L136 VanDerWaalsContact O-CB 3.31Å; F84-L136 WeakPolarHBondContact O-CB 3.27Å; V130-L136 VanDerWaalsContact CG2-O 3.32Å; V130-L136 WeakPolarHBondContact CG2-O 3.24Å; C131-L136 HydrophobicContact CB-CD1 4.2Å; C131-L136 HydrophobicContact CB-CG 4.2Å; C131-L136 PolarHBondContact N-O 3.18Å; C131-L136 PolarHBondContact O-N 2.63Å; C134-L136 HydrophobicContact CB-CD2 3.49Å; C134-L136 VanDerWaalsContact CB-CD2 3.49Å; C134-L136 HydrophobicContact CB-CG 3.77Å; C134-L136 PolarHBondContact O-N 2.78Å; L136-K138 HydrophobicContact CD1-CG 4.04Å; L136-C151 HydrophobicContact CD1-CB 4.25Å; L136-C151 HydrophobicContact CD2-CB 4.09Å |
| 137 | I | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 122.2 | 164.5 | -62.8 | 172.1 | 0 | 0 | 0 | 106.7 | F84 L86 L108 I111 V112 L117 V119 I128 P139 | F84-I137 WeakPolarHBondContact CB-O 3.48Å; F84-I137 WeakPolarHBondContact CD1-O 3.25Å; F84-I137 PolarHBondContact O-N 2.86Å; L86-I137 HydrophobicContact CD2-CD1 4.03Å; L86-I137 HydrophobicContact CD2-CG1 3.97Å; L86-I137 HydrophobicContact CG-CG1 4.44Å; L108-I137 HydrophobicContact CD2-CD1 4.19Å; L108-I137 HydrophobicContact CD2-CG1 3.97Å; I111-I137 HydrophobicContact CB-CD1 4.16Å; I111-I137 HydrophobicContact CG2-CD1 3.69Å; V112-I137 HydrophobicContact CG2-CD1 4.02Å; V112-I137 HydrophobicContact CG2-CG2 4.34Å; L117-I137 HydrophobicContact CD1-CD1 4.15Å; V119-I137 HydrophobicContact CG2-CG2 4.1Å; I128-I137 HydrophobicContact CG2-CG2 3.74Å; I137-P139 WeakPolarHBondContact O-CD 3.42Å |
| 138 | K | 98.4 | Very high | 96.9 | Very high | 41 Ų | 41 | 31.9 Ų | 31.9 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -70.4 | 120.3 | -177.6 | -70.6 | -179.9 | -179.9 | 165.2 | 0 | 108.9 | R129 V130 C131 L136 S142 | R129-K138 HydrophobicContact CB-CB 4.05Å; R129-K138 HydrophobicContact CB-CD 4.22Å; R129-K138 WeakPolarHBondContact O-CB 3.48Å; R129-K138 PolarHBondContact O-N 3.09Å; V130-K138 VanDerWaalsContact O-CE 3.3Å; V130-K138 WeakPolarHBondContact O-CE 3.18Å; V130-K138 PolarHBondContact O-NZ 2.89Å; C131-K138 HydrophobicContact CB-CD 4.49Å; C131-K138 HydrophobicContact CB-CG 4.14Å; L136-K138 HydrophobicContact CD1-CG 4.04Å; K138-S142 WeakPolarHBondContact CB-OG 3.34Å |
| 139 | P | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -51.6 | 153.8 | 164.3 | -21.2 | 27.1 | 0 | 0 | 0 | 111.2 | P80 F84 I137 R141 S142 L153 V294 | P80-P139 HydrophobicContact CB-CG 3.77Å; P80-P139 HydrophobicContact CG-CG 3.98Å; F84-P139 HydrophobicContact CB-CG 4.48Å; F84-P139 HydrophobicContact CD1-CB 4.24Å; F84-P139 HydrophobicContact CD1-CG 3.61Å; F84-P139 HydrophobicContact CD2-CG 3.96Å; F84-P139 HydrophobicContact CE1-CB 3.82Å; F84-P139 HydrophobicContact CE1-CG 3.66Å; F84-P139 HydrophobicContact CE2-CG 4.01Å; F84-P139 HydrophobicContact CG-CG 3.75Å; F84-P139 HydrophobicContact CZ-CB 3.97Å; F84-P139 HydrophobicContact CZ-CG 3.86Å; I137-P139 WeakPolarHBondContact O-CD 3.42Å; P139-R141 PolarHBondContact O-N 3.3Å; P139-S142 VanDerWaalsContact CD-OG 3.22Å; P139-S142 WeakPolarHBondContact CD-OG 3.31Å; P139-S142 VanDerWaalsContact O-CB 3.27Å; P139-S142 WeakPolarHBondContact O-CB 3.34Å; P139-S142 PolarHBondContact O-N 3.15Å; P139-S142 PolarHBondContact O-OG 3.42Å; P139-L153 HydrophobicContact CB-CD2 4.05Å; P139-L153 HydrophobicContact CG-CD2 3.81Å; P139-V294 HydrophobicContact CB-CG1 4.02Å; P139-V294 HydrophobicContact CG-CG1 4.21Å |
| 140 | D | 98 | Very high | 96.8 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 140.4 | 175 | -68.5 | -24.7 | 0 | 0 | 0 | 110.6 | Y120 L121 S142 W296 Y298 | Y120-D140 PolarHBondContact N-OD1 3.05Å; Y120-D140 PolarHBondContact N-OD2 2.85Å; L121-D140 VanDerWaalsContact CB-OD1 3.28Å; L121-D140 WeakPolarHBondContact CB-OD1 3.49Å; L121-D140 HydrophobicContact CD1-CB 3.98Å; L121-D140 HydrophobicContact CG-CB 4.05Å; L121-D140 WeakPolarHBondContact CG-OD1 3.36Å; L121-D140 PolarHBondContact N-OD1 3.45Å; D140-S142 PolarHBondContact O-N 3.4Å; D140-S142 VanDerWaalsContact O-N 3.08Å; D140-W296 PolarHBondContact O-NE1 2.96Å; D140-Y298 PolarHBondContact OD2-OH 3.46Å |
| 141 | R | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 1.6 | -175.6 | -44 | -174.6 | 71.4 | 171 | 7.4 | 115.9 | P139 H143 K154 M155 N241 E246 F263 W296 | P139-R141 PolarHBondContact O-N 3.3Å; R141-H143 PolarHBondContact O-CD2 2.81Å; R141-K154 HydrophobicContact CB-CG 4.49Å; R141-K154 VanDerWaalsContact O-CA 3.28Å; R141-K154 WeakPolarHBondContact O-CA 3.29Å; R141-K154 PolarHBondContact O-N 2.83Å; R141-M155 PolarHBondContact O-N 2.82Å; R141-N241 PolarHBondContact NH1-OD1 3Å; R141-N241 PolarHBondContact NH2-O 3.4Å; R141-E246 WeakPolarHBondContact CB-OE1 3.48Å; R141-E246 VanDerWaalsContact CG-OE1 3.31Å; R141-E246 WeakPolarHBondContact CG-OE1 3.22Å; R141-E246 IonicContact CZ-OE1 3.25Å; R141-E246 IonicContact CZ-OE2 2.7Å; R141-E246 IonicContact NE-OE1 2.8Å; R141-E246 PolarHBondContact NE-OE1 3.49Å; R141-E246 IonicContact NE-OE2 3.67Å; R141-E246 IonicContact NH2-OE1 3.84Å; R141-E246 IonicContact NH2-OE2 3.01Å; R141-E246 PolarHBondContact NH2-OE2 2.93Å; R141-F263 HydrophobicContact CG-CE1 4.32Å; R141-F263 HydrophobicContact CG-CE2 3.8Å; R141-F263 HydrophobicContact CG-CZ 3.6Å; R141-W296 HydrophobicContact CB-CZ2 4.25Å; R141-W296 HydrophobicContact CG-CD2 4.35Å; R141-W296 HydrophobicContact CG-CG 4.42Å; R141-W296 HydrophobicContact CG-CZ2 4.49Å |
| 142 | S | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -85.2 | 143.1 | 176.9 | 75.7 | 0 | 0 | 0 | 0 | 112.7 | R129 K138 P139 D140 L152 | R129-S142 PolarHBondContact NH2-O 2.81Å; K138-S142 WeakPolarHBondContact CB-OG 3.34Å; P139-S142 VanDerWaalsContact CD-OG 3.22Å; P139-S142 WeakPolarHBondContact CD-OG 3.31Å; P139-S142 VanDerWaalsContact O-CB 3.27Å; P139-S142 WeakPolarHBondContact O-CB 3.34Å; P139-S142 PolarHBondContact O-N 3.15Å; P139-S142 PolarHBondContact O-OG 3.42Å; D140-S142 PolarHBondContact O-N 3.4Å; D140-S142 VanDerWaalsContact O-N 3.08Å; S142-L152 VanDerWaalsContact CA-O 3.22Å; S142-L152 WeakPolarHBondContact CA-O 3.02Å; S142-L152 VanDerWaalsContact CB-O 3.26Å; S142-L152 WeakPolarHBondContact CB-O 3.43Å | ||
| 143 | H | 98.1 | Very high | 97.1 | Very high | 36 Ų | 36 | 26.3 Ų | 26.3 | 17% | 0.167 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 153.3 | 176.9 | -66.5 | -109.2 | 0 | 0 | 0 | 111.3 | R129 R141 C151 L152 M155 L245 | R129-H143 PolarHBondContact NH2-CD2 3.22Å; R129-H143 PolarHBondContact NH2-CE1 3.18Å; R129-H143 PolarHBondContact NH2-ND1 3.38Å; R129-H143 PolarHBondContact NH2-NE2 2.97Å; R141-H143 PolarHBondContact O-CD2 2.81Å; H143-C151 CarbonylContact O-C 3.48Å; H143-C151 WeakPolarHBondContact O-CA 3.5Å; H143-L152 PolarHBondContact N-O 3.07Å; H143-L152 PolarHBondContact O-N 2.84Å; H143-M155 HydrophobicContact CB-CB 3.99Å; H143-M155 HydrophobicContact CB-CG 4.37Å; H143-M155 HydrophobicContact CB-SD 3.77Å; H143-L245 HydrophobicContact CB-CD1 3.94Å |
| 144 | H | 98 | Very high | 97.2 | Very high | 50 Ų | 50 | 22.9 Ų | 22.9 | 23% | 0.231 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.4 | 173.3 | -176 | 90 | 0 | 0 | 0 | 109.3 | C131 C134 | C131-H144 PolarHBondContact SG-ND1 3.07Å; C134-H144 VanDerWaalsContact SG-CE1 3.57Å; C134-H144 PolarHBondContact SG-ND1 2.79Å |
| 145 | C | 97.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 3% | 0.027 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 116.1 | 170.7 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | T147 C148 G149 V150 L152 M155 C165 | C145-T147 VanDerWaalsContact C-N 3.31Å; C145-T147 PolarHBondContact O-N 3.21Å; C145-T147 PolarHBondContact SG-N 3.35Å; C145-C148 HydrophobicContact CB-CB 3.87Å; C145-C148 PolarHBondContact O-N 3.28Å; C145-C148 PolarHBondContact SG-N 2.79Å; C145-G149 WeakPolarHBondContact O-CA 3.32Å; C145-G149 PolarHBondContact O-N 2.82Å; C145-V150 PolarHBondContact N-O 3.27Å; C145-V150 PolarHBondContact O-N 3.32Å; C145-L152 HydrophobicContact CB-CD1 4.26Å; C145-M155 HydrophobicContact CB-CE 3.5Å; C145-M155 VanDerWaalsContact CB-CE 3.5Å; C145-M155 HydrophobicContact CB-SD 3.75Å; C145-C165 PolarHBondContact SG-SG 3.28Å |
| 146 | S | 94.1 | Very high | 97.3 | Very high | 104 Ų | 104 | 21.5 Ų | 21.5 | 73% | 0.727 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -37 | 175.9 | 51.3 | 0 | 0 | 0 | 0 | 112.8 | G149 | S146-G149 PolarHBondContact O-N 2.93Š|
| 147 | T | 93.3 | Very high | 97.3 | Very high | 74 Ų | 74 | 23.7 Ų | 23.7 | 45% | 0.454 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -43.9 | 177.4 | -48.3 | 0 | 0 | 0 | 0 | 112.4 | I10 C145 H158 | I10-T147 VanDerWaalsContact CD1-O 3.25Å; I10-T147 WeakPolarHBondContact CD1-O 3.48Å; C145-T147 VanDerWaalsContact C-N 3.31Å; C145-T147 PolarHBondContact O-N 3.21Å; C145-T147 PolarHBondContact SG-N 3.35Å; T147-H158 WeakPolarHBondContact CG2-NE2 3.21Å |
| 148 | C | 93.8 | Very high | 97.3 | Very high | 40 Ų | 40 | 25.8 Ų | 25.8 | 27% | 0.27 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -19.2 | 178.2 | -66.5 | 0 | 0 | 0 | 0 | 111.9 | C145 V150 H158 C165 | C145-C148 HydrophobicContact CB-CB 3.87Å; C145-C148 PolarHBondContact O-N 3.28Å; C145-C148 PolarHBondContact SG-N 2.79Å; C148-V150 VanDerWaalsContact C-N 3.33Å; C148-V150 HydrophobicContact CB-CG2 4.19Å; C148-V150 PolarHBondContact O-N 3.09Å; C148-H158 PolarHBondContact SG-ND1 3.31Å; C148-C165 WeakPolarHBondContact CB-SG 3.38Å; C148-C165 WeakPolarHBondContact SG-CB 3.22Å; C148-C165 CovalentContact SG-SG 2.09Å; C148-C165 PolarHBondContact SG-SG 3.21Å |
| 149 | G | 95.1 | Very high | 97.3 | Very high | 34 Ų | 34 | 24.1 Ų | 24.1 | 35% | 0.351 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 15.3 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | C145 S146 | C145-G149 WeakPolarHBondContact O-CA 3.32Å; C145-G149 PolarHBondContact O-N 2.82Å; S146-G149 PolarHBondContact O-N 2.93Å |
| 150 | V | 96.8 | Very high | 97.2 | Very high | 35 Ų | 35 | 27.5 Ų | 27.5 | 21% | 0.212 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 157.1 | -173.2 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | Q79 C145 C148 L152 | Q79-V150 HydrophobicContact CG-CB 4.32Å; Q79-V150 HydrophobicContact CG-CG2 4.18Å; C145-V150 PolarHBondContact N-O 3.27Å; C145-V150 PolarHBondContact O-N 3.32Å; C148-V150 VanDerWaalsContact C-N 3.33Å; C148-V150 HydrophobicContact CB-CG2 4.19Å; C148-V150 PolarHBondContact O-N 3.09Å; V150-L152 HydrophobicContact CG2-CD2 3.73Å; V150-L152 HydrophobicContact CG2-CG 4.27Å |
| 151 | C | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 142.1 | 165.7 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | P80 C131 C134 L136 H143 | P80-C151 WeakPolarHBondContact CD-O 3.41Å; P80-C151 HydrophobicContact CG-CB 3.82Å; C131-C151 WeakPolarHBondContact CB-SG 3.3Å; C131-C151 PolarHBondContact SG-SG 3.43Å; C134-C151 PolarHBondContact SG-N 3.3Å; C134-C151 VanDerWaalsContact SG-N 3.42Å; L136-C151 HydrophobicContact CD1-CB 4.25Å; L136-C151 HydrophobicContact CD2-CB 4.09Å; H143-C151 CarbonylContact O-C 3.48Å; H143-C151 WeakPolarHBondContact O-CA 3.5Å |
| 152 | L | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 141.2 | -178.9 | -59.2 | 175.4 | 0 | 0 | 0 | 110.7 | P77 I78 Q79 S142 H143 C145 V150 M155 C165 | P77-L152 HydrophobicContact CB-CB 4.48Å; P77-L152 HydrophobicContact CB-CD1 3.82Å; P77-L152 HydrophobicContact CB-CD2 3.73Å; P77-L152 HydrophobicContact CB-CG 4.22Å; P77-L152 HydrophobicContact CG-CD1 3.74Å; P77-L152 HydrophobicContact CG-CD2 3.54Å; P77-L152 HydrophobicContact CG-CG 4.25Å; I78-L152 WeakPolarHBondContact O-CA 3.18Å; Q79-L152 HydrophobicContact CG-CD2 4.09Å; S142-L152 VanDerWaalsContact CA-O 3.22Å; S142-L152 WeakPolarHBondContact CA-O 3.02Å; S142-L152 VanDerWaalsContact CB-O 3.26Å; S142-L152 WeakPolarHBondContact CB-O 3.43Å; H143-L152 PolarHBondContact N-O 3.07Å; H143-L152 PolarHBondContact O-N 2.84Å; C145-L152 HydrophobicContact CB-CD1 4.26Å; V150-L152 HydrophobicContact CG2-CD2 3.73Å; V150-L152 HydrophobicContact CG2-CG 4.27Å; L152-M155 HydrophobicContact CB-CB 4.17Å; L152-C165 HydrophobicContact CD1-CB 3.17Å; L152-C165 WeakPolarHBondContact CD1-SG 3.16Å |
| 153 | L | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | 135.7 | 177.9 | -62 | -175 | 0 | 0 | 0 | 111.3 | I78 P80 P139 M155 F168 V294 | I78-L153 HydrophobicContact CB-CD1 4.25Å; I78-L153 HydrophobicContact CG2-CD1 3.6Å; I78-L153 HydrophobicContact CG2-CG 4.25Å; I78-L153 PolarHBondContact O-N 3.42Å; P80-L153 HydrophobicContact CB-CD2 4.43Å; P80-L153 HydrophobicContact CG-CD2 4.17Å; P139-L153 HydrophobicContact CB-CD2 4.05Å; P139-L153 HydrophobicContact CG-CD2 3.81Å; L153-M155 PolarHBondContact O-N 3.45Å; L153-M155 VanDerWaalsContact O-N 3.14Å; L153-F168 HydrophobicContact CB-CB 4.1Å; L153-F168 WeakPolarHBondContact O-CB 3.19Å; L153-F168 PolarHBondContact O-N 3.42Å; L153-V294 HydrophobicContact CD1-CG1 3.99Å; L153-V294 HydrophobicContact CD2-CG1 3.73Å |
| 154 | K | 98 | Very high | 97.1 | Very high | 9 Ų | 9 | 34.5 Ų | 34.5 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 40.4 | 48.6 | -175.5 | -161.4 | -171.5 | 178.3 | 171.2 | 0 | 112.2 | R141 D156 G167 F168 W296 | R141-K154 HydrophobicContact CB-CG 4.49Å; R141-K154 VanDerWaalsContact O-CA 3.28Å; R141-K154 WeakPolarHBondContact O-CA 3.29Å; R141-K154 PolarHBondContact O-N 2.83Å; K154-D156 PolarHBondContact O-N 3.06Å; K154-G167 CarbonylContact O-C 3.55Å; K154-G167 WeakPolarHBondContact O-CA 3.48Å; K154-F168 HydrophobicContact CB-CB 3.82Å; K154-F168 HydrophobicContact CD-CD2 4.37Å; K154-F168 PolarHBondContact O-N 3.31Å; K154-W296 HydrophobicContact CB-CH2 3.65Å; K154-W296 HydrophobicContact CB-CZ2 3.84Å; K154-W296 HydrophobicContact CD-CH2 3.61Å; K154-W296 HydrophobicContact CD-CZ2 4.48Å; K154-W296 HydrophobicContact CD-CZ3 3.93Å; K154-W296 HydrophobicContact CG-CH2 3.88Å; K154-W296 HydrophobicContact CG-CZ2 4.29Å |
| 155 | M | 98.3 | Very high | 97.1 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 6% | 0.064 | 19% | 0.186 | C | C | . | . | trans | -62.4 | 130.4 | -177.3 | -178.9 | -176.9 | 167.6 | 0 | 0 | 109.6 | R141 H143 C145 L152 L153 L245 | R141-M155 PolarHBondContact O-N 2.82Å; H143-M155 HydrophobicContact CB-CB 3.99Å; H143-M155 HydrophobicContact CB-CG 4.37Å; H143-M155 HydrophobicContact CB-SD 3.77Å; C145-M155 HydrophobicContact CB-CE 3.5Å; C145-M155 VanDerWaalsContact CB-CE 3.5Å; C145-M155 HydrophobicContact CB-SD 3.75Å; L152-M155 HydrophobicContact CB-CB 4.17Å; L153-M155 PolarHBondContact O-N 3.45Å; L153-M155 VanDerWaalsContact O-N 3.14Å; M155-L245 HydrophobicContact CB-CD1 4.44Å; M155-L245 HydrophobicContact CE-CD1 4.32Å; M155-L245 HydrophobicContact CG-CD1 4.08Å; M155-L245 HydrophobicContact SD-CD1 4.22Å | ||
| 156 | D | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 31.9 Ų | 31.9 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | trans | -99 | -60.9 | 173.5 | -169.8 | 75.7 | 0 | 0 | 0 | 110.5 | K154 I166 H234 S243 T244 L245 | K154-D156 PolarHBondContact O-N 3.06Å; D156-I166 HydrophobicContact CB-CB 4.41Å; D156-I166 HydrophobicContact CB-CG2 4.26Å; D156-I166 PolarHBondContact N-O 2.79Å; D156-H234 IonicContact OD2-CE1 3.6Å; D156-H234 PolarHBondContact OD2-CE1 3.13Å; D156-S243 VanDerWaalsContact OD1-CA 3.31Å; D156-S243 WeakPolarHBondContact OD1-CA 3.1Å; D156-S243 WeakPolarHBondContact OD1-CB 3.42Å; D156-T244 PolarHBondContact OD1-N 3.29Å; D156-T244 PolarHBondContact OD1-OG1 2.86Å; D156-T244 VanDerWaalsContact OD1-OG1 3.09Å; D156-T244 PolarHBondContact OD2-OG1 3.01Å; D156-L245 WeakPolarHBondContact O-CD1 3.27Å; D156-L245 VanDerWaalsContact O-CG 3.27Å; D156-L245 WeakPolarHBondContact O-CG 3.29Å | ||
| 157 | H | 97.9 | Very high | 97.4 | Very high | 48 Ų | 48 | 27 Ų | 27 | 22% | 0.222 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 169.6 | 174.6 | 65.5 | -78.6 | 0 | 0 | 0 | 111.5 | C159 I166 F174 | H157-C159 WeakPolarHBondContact NE2-CB 3.45Å; H157-I166 PolarHBondContact N-O 2.94Å; H157-I166 PolarHBondContact O-N 3.24Å; H157-F174 AromaticContact CE1-CE1 3.85Å; H157-F174 AromaticContact CE1-CZ 3.67Å; H157-F174 AromaticContact NE2-CZ 3.96Å |
| 158 | H | 97.7 | Very high | 97.6 | Very high | 44 Ų | 44 | 23.7 Ų | 23.7 | 20% | 0.204 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.7 | 163.3 | -176.7 | 90.5 | 0 | 0 | 0 | 109.1 | T147 C148 P160 C165 | T147-H158 WeakPolarHBondContact CG2-NE2 3.21Å; C148-H158 PolarHBondContact SG-ND1 3.31Å; H158-P160 WeakPolarHBondContact O-CD 3.47Å; H158-C165 PolarHBondContact ND1-SG 2.09Å |
| 159 | C | 97.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.034 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 110 | -174.1 | -177.8 | 0 | 0 | 0 | 0 | 110.6 | H157 W161 T162 N163 N164 I166 | H157-C159 WeakPolarHBondContact NE2-CB 3.45Å; C159-W161 PolarHBondContact O-N 3.01Å; C159-T162 VanDerWaalsContact CB-OG1 3.3Å; C159-T162 WeakPolarHBondContact CB-OG1 3.45Å; C159-T162 PolarHBondContact O-N 3.39Å; C159-T162 PolarHBondContact O-OG1 3.49Å; C159-N163 PolarHBondContact O-N 3.35Å; C159-N164 PolarHBondContact N-O 2.86Å; C159-N164 PolarHBondContact O-N 2.93Å; C159-I166 HydrophobicContact CB-CD1 4.26Å; C159-I166 HydrophobicContact CB-CG1 3.88Å |
| 160 | P | 96.6 | Very high | 97.9 | Very high | 72 Ų | 72 | 22.4 Ų | 22.4 | 47% | 0.468 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -31.2 | 177.6 | -24.1 | 35.4 | 0 | 0 | 0 | 113 | P21 H158 T162 N163 | P21-P160 HydrophobicContact CG-CB 4.42Å; H158-P160 WeakPolarHBondContact O-CD 3.47Å; P160-T162 VanDerWaalsContact C-N 3.26Å; P160-T162 PolarHBondContact O-N 2.98Å; P160-N163 PolarHBondContact O-N 3.45Å |
| 161 | W | 97.7 | Very high | 98 | Very high | 125 Ų | 125 | 21.2 Ų | 21.2 | 47% | 0.473 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -16.9 | -179.9 | -59.5 | 107.1 | 0 | 0 | 0 | 114.1 | P21 F24 I25 Y69 C159 | P21-W161 HydrophobicContact CB-CD2 4.24Å; P21-W161 HydrophobicContact CB-CE3 3.63Å; P21-W161 HydrophobicContact CB-CZ3 3.99Å; F24-W161 AromaticContact CD1-CZ3 3.96Å; F24-W161 HydrophobicContact CD1-CZ3 3.96Å; F24-W161 HydrophobicContact CE1-CZ3 4.38Å; I25-W161 HydrophobicContact CD1-CB 3.93Å; I25-W161 HydrophobicContact CD1-CD2 4.23Å; I25-W161 HydrophobicContact CD1-CE3 3.6Å; I25-W161 HydrophobicContact CD1-CG 4.41Å; I25-W161 HydrophobicContact CD1-CZ3 4.45Å; I25-W161 HydrophobicContact CG1-CE3 3.98Å; I25-W161 HydrophobicContact CG1-CZ3 4.39Å; Y69-W161 WeakPolarHBondContact CE2-O 3.49Å; Y69-W161 PolarHBondContact OH-O 2.87Å; C159-W161 PolarHBondContact O-N 3.01Å |
| 162 | T | 97.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114 | -1.7 | 172.7 | 58.3 | 0 | 0 | 0 | 0 | 112 | Y69 A72 C159 P160 N164 | Y69-T162 HydrophobicContact CD2-CG2 4.42Å; Y69-T162 HydrophobicContact CE2-CG2 4.11Å; A72-T162 HydrophobicContact CB-CG2 3.96Å; C159-T162 VanDerWaalsContact CB-OG1 3.3Å; C159-T162 WeakPolarHBondContact CB-OG1 3.45Å; C159-T162 PolarHBondContact O-N 3.39Å; C159-T162 PolarHBondContact O-OG1 3.49Å; P160-T162 VanDerWaalsContact C-N 3.26Å; P160-T162 PolarHBondContact O-N 2.98Å; T162-N164 PolarHBondContact O-N 3.11Å; T162-N164 VanDerWaalsContact O-N 3.12Å |
| 163 | N | 97.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 21.5 Ų | 21.5 | 23% | 0.23 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 37.6 | -170.3 | -165.7 | 24.1 | 0 | 0 | 0 | 112.6 | G18 W19 V22 C159 P160 | G18-N163 WeakPolarHBondContact O-CB 3.27Å; G18-N163 VanDerWaalsContact O-CG 3.3Å; W19-N163 VanDerWaalsContact CE2-ND2 3.29Å; W19-N163 PolarHBondContact NE1-ND2 3.04Å; W19-N163 VanDerWaalsContact NE1-ND2 3.19Å; V22-N163 HydrophobicContact CG2-CB 3.78Å; C159-N163 PolarHBondContact O-N 3.35Å; P160-N163 PolarHBondContact O-N 3.45Å |
| 164 | N | 97.6 | Very high | 97.9 | Very high | 17 Ų | 17 | 21.6 Ų | 21.6 | 9% | 0.091 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 151.5 | -173.2 | -164.6 | 14.3 | 0 | 0 | 0 | 110.6 | A72 I73 V75 P77 C159 T162 N170 | A72-N164 PolarHBondContact O-ND2 3.36Å; I73-N164 PolarHBondContact O-ND2 3.16Å; V75-N164 PolarHBondContact O-ND2 3.41Å; P77-N164 VanDerWaalsContact CD-OD1 3.27Å; P77-N164 WeakPolarHBondContact CD-OD1 3.34Å; C159-N164 PolarHBondContact N-O 2.86Å; C159-N164 PolarHBondContact O-N 2.93Å; T162-N164 PolarHBondContact O-N 3.11Å; T162-N164 VanDerWaalsContact O-N 3.12Å; N164-N170 PolarHBondContact ND2-ND2 2.79Å; N164-N170 VanDerWaalsContact ND2-ND2 3.16Å |
| 165 | C | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 128.8 | 171.9 | -78.9 | 0 | 0 | 0 | 0 | 109.6 | P77 C145 C148 L152 H158 N170 | P77-C165 HydrophobicContact CB-CB 4.35Å; P77-C165 HydrophobicContact CG-CB 3.98Å; C145-C165 PolarHBondContact SG-SG 3.28Å; C148-C165 WeakPolarHBondContact CB-SG 3.38Å; C148-C165 WeakPolarHBondContact SG-CB 3.22Å; C148-C165 CovalentContact SG-SG 2.09Å; C148-C165 PolarHBondContact SG-SG 3.21Å; L152-C165 HydrophobicContact CD1-CB 3.17Å; L152-C165 WeakPolarHBondContact CD1-SG 3.16Å; H158-C165 PolarHBondContact ND1-SG 2.09Å; C165-N170 PolarHBondContact O-ND2 3.37Å |
| 166 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.4 | 174.8 | -51.4 | -51.7 | 0 | 0 | 0 | 108.6 | D156 H157 C159 N170 H171 F174 | D156-I166 HydrophobicContact CB-CB 4.41Å; D156-I166 HydrophobicContact CB-CG2 4.26Å; D156-I166 PolarHBondContact N-O 2.79Å; H157-I166 PolarHBondContact N-O 2.94Å; H157-I166 PolarHBondContact O-N 3.24Å; C159-I166 HydrophobicContact CB-CD1 4.26Å; C159-I166 HydrophobicContact CB-CG1 3.88Å; I166-N170 WeakPolarHBondContact CA-OD1 3.24Å; I166-H171 HydrophobicContact CG2-CB 4.35Å; I166-F174 HydrophobicContact CD1-CB 4.03Å; I166-F174 HydrophobicContact CD1-CD2 3.9Å; I166-F174 HydrophobicContact CD1-CG 4.1Å; I166-F174 HydrophobicContact CG1-CB 4.41Å; I166-F174 HydrophobicContact CG1-CD2 4.01Å; I166-F174 HydrophobicContact CG1-CE2 4.45Å; I166-F174 HydrophobicContact CG1-CG 4.09Å; I166-F174 HydrophobicContact CG2-CB 3.97Å; I166-F174 HydrophobicContact CG2-CD1 4.18Å; I166-F174 HydrophobicContact CG2-CG 4.08Å |
| 167 | G | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -160.7 | -158.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | K154 H169 N170 H171 | K154-G167 CarbonylContact O-C 3.55Å; K154-G167 WeakPolarHBondContact O-CA 3.48Å; G167-H169 VanDerWaalsContact C-N 3.3Å; G167-H169 PolarHBondContact O-N 2.77Å; G167-H169 VanDerWaalsContact O-N 3.07Å; G167-N170 PolarHBondContact N-OD1 3.44Å; G167-N170 PolarHBondContact O-N 3.48Å; G167-N170 PolarHBondContact O-OD1 3.26Å; G167-H171 WeakPolarHBondContact O-CB 3.27Å; G167-H171 PolarHBondContact O-N 3.5Å |
| 168 | F | 98.1 | Very high | 98 | Very high | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.4 | -50.4 | -170.6 | 177.9 | -112.7 | 0 | 0 | 0 | 114.6 | I78 L153 K154 T289 P290 G291 W296 | I78-F168 HydrophobicContact CD1-CD1 4.44Å; L153-F168 HydrophobicContact CB-CB 4.1Å; L153-F168 WeakPolarHBondContact O-CB 3.19Å; L153-F168 PolarHBondContact O-N 3.42Å; K154-F168 HydrophobicContact CB-CB 3.82Å; K154-F168 HydrophobicContact CD-CD2 4.37Å; K154-F168 PolarHBondContact O-N 3.31Å; F168-T289 HydrophobicContact CD2-CG2 4.28Å; F168-T289 HydrophobicContact CE2-CG2 3.73Å; F168-T289 HydrophobicContact CZ-CG2 4.14Å; F168-P290 WeakPolarHBondContact CE2-O 3.34Å; F168-P290 WeakPolarHBondContact CZ-O 3.36Å; F168-G291 WeakPolarHBondContact CZ-O 3.44Å; F168-W296 AromaticContact CD2-CH2 3.68Å; F168-W296 HydrophobicContact CD2-CH2 3.68Å; F168-W296 HydrophobicContact CD2-CZ3 4.24Å; F168-W296 HydrophobicContact CE2-CH2 4.1Å; F168-W296 HydrophobicContact CE2-CZ3 4.3Å |
| 169 | H | 97.3 | Very high | 98 | Very high | 47 Ų | 47 | 18.6 Ų | 18.6 | 22% | 0.218 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -29.4 | -170.1 | -171.8 | -149.6 | 0 | 0 | 0 | 114.7 | V75 P76 I78 G167 F287 | V75-H169 WeakPolarHBondContact CG1-CE1 3.22Å; V75-H169 WeakPolarHBondContact CG1-ND1 3.39Å; P76-H169 PolarHBondContact O-ND1 3.38Å; I78-H169 HydrophobicContact CD1-CB 3.65Å; I78-H169 HydrophobicContact CG1-CB 3.73Å; G167-H169 VanDerWaalsContact C-N 3.3Å; G167-H169 PolarHBondContact O-N 2.77Å; G167-H169 VanDerWaalsContact O-N 3.07Å; H169-F287 AromaticContact CD2-CD2 3.83Å; H169-F287 AromaticContact CD2-CE2 3.56Å |
| 170 | N | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | 0.3 | -173.3 | 65.8 | -5 | 0 | 0 | 0 | 114.3 | V75 N164 C165 I166 G167 K172 Y173 F174 | V75-N170 HydrophobicContact CB-CB 4.24Å; V75-N170 HydrophobicContact CG1-CB 4.18Å; V75-N170 PolarHBondContact O-ND2 3.47Å; N164-N170 PolarHBondContact ND2-ND2 2.79Å; N164-N170 VanDerWaalsContact ND2-ND2 3.16Å; C165-N170 PolarHBondContact O-ND2 3.37Å; I166-N170 WeakPolarHBondContact CA-OD1 3.24Å; G167-N170 PolarHBondContact N-OD1 3.44Å; G167-N170 PolarHBondContact O-N 3.48Å; G167-N170 PolarHBondContact O-OD1 3.26Å; N170-K172 VanDerWaalsContact C-N 3.31Å; N170-K172 PolarHBondContact O-N 3.48Å; N170-Y173 HydrophobicContact CB-CD2 3.96Å; N170-Y173 PolarHBondContact O-N 3.18Å; N170-F174 PolarHBondContact O-N 2.86Å; N170-F174 VanDerWaalsContact O-N 3.07Å |
| 171 | H | 98.3 | Very high | 98.2 | Very high | 9 Ų | 9 | 16.5 Ų | 16.5 | 4% | 0.042 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -56.2 | -43 | 178.8 | -173.3 | -150.7 | 0 | 0 | 0 | 112.5 | I166 G167 Y173 F174 I175 | I166-H171 HydrophobicContact CG2-CB 4.35Å; G167-H171 WeakPolarHBondContact O-CB 3.27Å; G167-H171 PolarHBondContact O-N 3.5Å; H171-Y173 PolarHBondContact O-N 2.9Å; H171-F174 WeakPolarHBondContact O-CB 3.26Å; H171-F174 PolarHBondContact O-N 3.22Å; H171-I175 WeakPolarHBondContact O-CG1 3.42Å; H171-I175 PolarHBondContact O-N 3.14Å; H171-I175 VanDerWaalsContact O-N 3.09Å |
| 172 | K | 98.1 | Very high | 98.2 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.009 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -56.1 | -49.6 | 174 | -179.5 | -173.2 | 172.4 | -173.2 | 0 | 111.5 | N170 F174 I175 V176 F275 L281 L284 V286 T288 | N170-K172 VanDerWaalsContact C-N 3.31Å; N170-K172 PolarHBondContact O-N 3.48Å; K172-F174 VanDerWaalsContact C-N 3.26Å; K172-F174 PolarHBondContact O-N 3.01Å; K172-I175 PolarHBondContact O-N 2.91Å; K172-V176 HydrophobicContact CG-CG2 4.17Å; K172-V176 WeakPolarHBondContact O-CB 3.38Å; K172-V176 VanDerWaalsContact O-CG2 3.29Å; K172-V176 WeakPolarHBondContact O-CG2 3.41Å; K172-V176 PolarHBondContact O-N 3.32Å; K172-F275 HydrophobicContact CD-CD1 4.45Å; K172-F275 HydrophobicContact CG-CD1 3.96Å; K172-F275 HydrophobicContact CG-CE1 4.33Å; K172-L281 PolarHBondContact NZ-O 2.93Å; K172-L284 WeakPolarHBondContact CE-O 3.25Å; K172-L284 PolarHBondContact NZ-O 3.43Å; K172-V286 WeakPolarHBondContact CE-O 3.11Å; K172-V286 PolarHBondContact NZ-O 2.85Å; K172-T288 WeakPolarHBondContact CD-OG1 3.39Å; K172-T288 PolarHBondContact NZ-OG1 3.44Å |
| 173 | Y | 98.5 | Very high | 98.3 | Very high | 7 Ų | 7 | 14.5 Ų | 14.5 | 3% | 0.027 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.9 | -39.5 | -178 | -56.1 | -50.1 | 0 | 0 | 0 | 111.7 | K71 V75 N170 H171 V176 F177 P285 F287 | K71-Y173 HydrophobicContact CB-CD1 3.83Å; K71-Y173 HydrophobicContact CB-CD2 4.15Å; K71-Y173 HydrophobicContact CB-CE1 4.33Å; K71-Y173 HydrophobicContact CB-CG 3.72Å; K71-Y173 HydrophobicContact CD-CE1 4.38Å; K71-Y173 HydrophobicContact CG-CD1 4.3Å; K71-Y173 HydrophobicContact CG-CE1 4.39Å; V75-Y173 HydrophobicContact CB-CD2 4.1Å; V75-Y173 HydrophobicContact CB-CE2 3.99Å; V75-Y173 HydrophobicContact CG1-CD2 4.37Å; V75-Y173 HydrophobicContact CG1-CE2 3.94Å; V75-Y173 HydrophobicContact CG2-CD2 4.02Å; V75-Y173 HydrophobicContact CG2-CE2 3.66Å; N170-Y173 HydrophobicContact CB-CD2 3.96Å; N170-Y173 PolarHBondContact O-N 3.18Å; H171-Y173 PolarHBondContact O-N 2.9Å; Y173-V176 PolarHBondContact O-N 2.73Å; Y173-F177 VanDerWaalsContact O-CB 3.22Å; Y173-F177 WeakPolarHBondContact O-CB 3.43Å; Y173-F177 PolarHBondContact O-N 2.91Å; Y173-P285 HydrophobicContact CD1-CB 3.98Å; Y173-P285 HydrophobicContact CE1-CB 4.46Å; Y173-P285 VanDerWaalsContact CE1-O 3.3Å; Y173-P285 WeakPolarHBondContact CE1-O 3.34Å; Y173-F287 WeakPolarHBondContact OH-CA 3.39Å; Y173-F287 VanDerWaalsContact OH-CB 3.27Å; Y173-F287 WeakPolarHBondContact OH-CB 3.35Å; Y173-F287 PolarHBondContact OH-N 3.38Å; Y173-F287 VanDerWaalsContact OH-N 3.14Å |
| 174 | F | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 13 Ų | 13 | 1% | 0.013 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 175.6 | 177.5 | -104.3 | 0 | 0 | 0 | 112.3 | H157 I166 N170 H171 K172 F177 L178 L230 H234 | H157-F174 AromaticContact CE1-CE1 3.85Å; H157-F174 AromaticContact CE1-CZ 3.67Å; H157-F174 AromaticContact NE2-CZ 3.96Å; I166-F174 HydrophobicContact CD1-CB 4.03Å; I166-F174 HydrophobicContact CD1-CD2 3.9Å; I166-F174 HydrophobicContact CD1-CG 4.1Å; I166-F174 HydrophobicContact CG1-CB 4.41Å; I166-F174 HydrophobicContact CG1-CD2 4.01Å; I166-F174 HydrophobicContact CG1-CE2 4.45Å; I166-F174 HydrophobicContact CG1-CG 4.09Å; I166-F174 HydrophobicContact CG2-CB 3.97Å; I166-F174 HydrophobicContact CG2-CD1 4.18Å; I166-F174 HydrophobicContact CG2-CG 4.08Å; N170-F174 PolarHBondContact O-N 2.86Å; N170-F174 VanDerWaalsContact O-N 3.07Å; H171-F174 WeakPolarHBondContact O-CB 3.26Å; H171-F174 PolarHBondContact O-N 3.22Å; K172-F174 VanDerWaalsContact C-N 3.26Å; K172-F174 PolarHBondContact O-N 3.01Å; F174-F177 HydrophobicContact CD2-CD1 4.27Å; F174-F177 WeakPolarHBondContact O-CB 3.37Å; F174-F177 PolarHBondContact O-N 3.17Å; F174-L178 HydrophobicContact CD1-CD1 4.12Å; F174-L178 HydrophobicContact CE1-CD1 3.52Å; F174-L178 HydrophobicContact CE1-CG 4.32Å; F174-L178 HydrophobicContact CE2-CD1 4.37Å; F174-L178 HydrophobicContact CE2-CD2 4.5Å; F174-L178 HydrophobicContact CE2-CG 4.41Å; F174-L178 HydrophobicContact CZ-CD1 3.67Å; F174-L178 HydrophobicContact CZ-CD2 4.39Å; F174-L178 HydrophobicContact CZ-CG 4.18Å; F174-L178 WeakPolarHBondContact O-CG 3.37Å; F174-L178 PolarHBondContact O-N 2.66Å; F174-L230 HydrophobicContact CZ-CD2 4.35Å; F174-H234 AromaticContact CE1-CD2 3.73Å; F174-H234 AromaticContact CE1-CE1 3.72Å; F174-H234 AromaticContact CE1-ND1 3.98Å; F174-H234 AromaticContact CE1-NE2 3.54Å |
| 175 | I | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.2 | -41.2 | 178.4 | -61.4 | 156 | 0 | 0 | 0 | 111.5 | H171 K172 F177 L178 S179 H234 M235 V238 T274 F275 | H171-I175 WeakPolarHBondContact O-CG1 3.42Å; H171-I175 PolarHBondContact O-N 3.14Å; H171-I175 VanDerWaalsContact O-N 3.09Å; K172-I175 PolarHBondContact O-N 2.91Å; I175-F177 VanDerWaalsContact C-N 3.32Å; I175-F177 PolarHBondContact O-N 3.43Å; I175-L178 PolarHBondContact O-N 3.41Å; I175-S179 WeakPolarHBondContact O-CB 3.41Å; I175-S179 PolarHBondContact O-N 2.91Å; I175-S179 PolarHBondContact O-OG 2.75Å; I175-H234 HydrophobicContact CG1-CB 4.41Å; I175-M235 HydrophobicContact CG2-CE 3.61Å; I175-M235 HydrophobicContact CG2-SD 3.82Å; I175-V238 HydrophobicContact CD1-CG2 3.49Å; I175-V238 VanDerWaalsContact CD1-CG2 3.49Å; I175-T274 HydrophobicContact CD1-CG2 3.59Å; I175-F275 HydrophobicContact CB-CZ 4.27Å; I175-F275 HydrophobicContact CD1-CZ 4.31Å; I175-F275 HydrophobicContact CG2-CE1 4.23Å; I175-F275 HydrophobicContact CG2-CZ 3.68Å |
| 176 | V | 98.3 | Very high | 98.4 | Very high | 4 Ų | 4 | 18.8 Ų | 18.8 | 2% | 0.024 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.1 | -39.1 | 176.5 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | K172 Y173 S179 W180 F275 A282 I283 P285 | K172-V176 HydrophobicContact CG-CG2 4.17Å; K172-V176 WeakPolarHBondContact O-CB 3.38Å; K172-V176 VanDerWaalsContact O-CG2 3.29Å; K172-V176 WeakPolarHBondContact O-CG2 3.41Å; K172-V176 PolarHBondContact O-N 3.32Å; Y173-V176 PolarHBondContact O-N 2.73Å; V176-S179 PolarHBondContact O-N 3.32Å; V176-W180 PolarHBondContact O-N 3.24Å; V176-F275 HydrophobicContact CG2-CE1 4.19Å; V176-A282 WeakPolarHBondContact CG2-O 3.23Å; V176-I283 WeakPolarHBondContact CG1-O 3.43Å; V176-P285 HydrophobicContact CG1-CB 4.32Å |
| 177 | F | 98.5 | Very high | 98.4 | Very high | 12 Ų | 12 | 20.2 Ų | 20.2 | 5% | 0.053 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.1 | -51.4 | 172.6 | 155.6 | -113.7 | 0 | 0 | 0 | 112.1 | F65 S68 Y69 Y173 F174 I175 S179 W180 G181 | F65-F177 HydrophobicContact CD2-CD2 4.14Å; F65-F177 HydrophobicContact CD2-CE2 4.16Å; F65-F177 AromaticContact CE2-CD2 3.81Å; F65-F177 HydrophobicContact CE2-CD2 3.81Å; F65-F177 AromaticContact CE2-CE2 3.38Å; F65-F177 HydrophobicContact CE2-CE2 3.38Å; F65-F177 HydrophobicContact CE2-CZ 4.44Å; F65-F177 AromaticContact CZ-CE2 3.87Å; F65-F177 HydrophobicContact CZ-CE2 3.87Å; S68-F177 WeakPolarHBondContact OG-CA 3.27Å; Y69-F177 HydrophobicContact CD2-CD1 4.44Å; Y69-F177 AromaticContact CD2-CD2 3.65Å; Y69-F177 HydrophobicContact CD2-CD2 3.65Å; Y69-F177 HydrophobicContact CD2-CE1 4.14Å; Y69-F177 AromaticContact CD2-CE2 3.25Å; Y69-F177 HydrophobicContact CD2-CE2 3.25Å; Y69-F177 HydrophobicContact CD2-CG 4.22Å; Y69-F177 AromaticContact CD2-CZ 3.54Å; Y69-F177 HydrophobicContact CD2-CZ 3.54Å; Y69-F177 HydrophobicContact CE2-CE1 4.46Å; Y69-F177 AromaticContact CE2-CE2 3.97Å; Y69-F177 HydrophobicContact CE2-CE2 3.97Å; Y69-F177 AromaticContact CE2-CZ 3.84Å; Y69-F177 HydrophobicContact CE2-CZ 3.84Å; Y69-F177 AromaticContact CG-CD2 3.98Å; Y69-F177 HydrophobicContact CG-CD2 3.98Å; Y69-F177 AromaticContact CG-CE2 3.74Å; Y69-F177 HydrophobicContact CG-CE2 3.74Å; Y69-F177 HydrophobicContact CG-CZ 4.44Å; Y173-F177 VanDerWaalsContact O-CB 3.22Å; Y173-F177 WeakPolarHBondContact O-CB 3.43Å; Y173-F177 PolarHBondContact O-N 2.91Å; F174-F177 HydrophobicContact CD2-CD1 4.27Å; F174-F177 WeakPolarHBondContact O-CB 3.37Å; F174-F177 PolarHBondContact O-N 3.17Å; I175-F177 VanDerWaalsContact C-N 3.32Å; I175-F177 PolarHBondContact O-N 3.43Å; F177-S179 VanDerWaalsContact C-N 3.28Å; F177-S179 PolarHBondContact O-N 3.18Å; F177-W180 PolarHBondContact O-N 2.92Å; F177-G181 PolarHBondContact O-N 3.44Å |
| 178 | L | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.021 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 176.7 | -67.3 | 178.2 | 0 | 0 | 0 | 111.6 | F174 I175 G181 V182 L230 A231 | F174-L178 HydrophobicContact CD1-CD1 4.12Å; F174-L178 HydrophobicContact CE1-CD1 3.52Å; F174-L178 HydrophobicContact CE1-CG 4.32Å; F174-L178 HydrophobicContact CE2-CD1 4.37Å; F174-L178 HydrophobicContact CE2-CD2 4.5Å; F174-L178 HydrophobicContact CE2-CG 4.41Å; F174-L178 HydrophobicContact CZ-CD1 3.67Å; F174-L178 HydrophobicContact CZ-CD2 4.39Å; F174-L178 HydrophobicContact CZ-CG 4.18Å; F174-L178 WeakPolarHBondContact O-CG 3.37Å; F174-L178 PolarHBondContact O-N 2.66Å; I175-L178 PolarHBondContact O-N 3.41Å; L178-G181 PolarHBondContact O-N 3.32Å; L178-V182 WeakPolarHBondContact O-CG2 3.24Å; L178-V182 PolarHBondContact O-N 2.93Å; L178-L230 HydrophobicContact CD1-CD2 4.12Å; L178-L230 HydrophobicContact CD1-CG 3.83Å; L178-L230 HydrophobicContact CD2-CD2 3.78Å; L178-L230 HydrophobicContact CD2-CG 4.25Å; L178-A231 HydrophobicContact CB-CB 3.93Å |
| 179 | S | 98.4 | Very high | 98.5 | Very high | 34 Ų | 34 | 22 Ų | 22 | 24% | 0.238 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.4 | -47.3 | -178.4 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | I175 V176 F177 G181 V182 V183 M235 | I175-S179 WeakPolarHBondContact O-CB 3.41Å; I175-S179 PolarHBondContact O-N 2.91Å; I175-S179 PolarHBondContact O-OG 2.75Å; V176-S179 PolarHBondContact O-N 3.32Å; F177-S179 VanDerWaalsContact C-N 3.28Å; F177-S179 PolarHBondContact O-N 3.18Å; S179-G181 VanDerWaalsContact C-N 3.31Å; S179-G181 PolarHBondContact O-N 3.29Å; S179-V182 PolarHBondContact O-N 3.5Å; S179-V183 WeakPolarHBondContact O-CG2 3.35Å; S179-V183 PolarHBondContact O-N 3Å; S179-M235 WeakPolarHBondContact OG-CE 3.33Å |
| 180 | W | 98.6 | Very high | 98.5 | Very high | 33 Ų | 33 | 23 Ų | 23 | 13% | 0.125 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.2 | -29.7 | 175.5 | -77.6 | 116.6 | 0 | 0 | 0 | 112.7 | F61 L64 F65 V176 F177 V183 Y184 I283 | F61-W180 HydrophobicContact CD1-CE3 4.07Å; F61-W180 HydrophobicContact CD1-CH2 4.47Å; F61-W180 AromaticContact CD1-CZ3 3.5Å; F61-W180 HydrophobicContact CD1-CZ3 3.5Å; F61-W180 VanDerWaalsContact CD1-CZ3 3.5Å; F61-W180 AromaticContact CE1-CZ3 3.82Å; F61-W180 HydrophobicContact CE1-CZ3 3.82Å; L64-W180 HydrophobicContact CB-CD2 3.61Å; L64-W180 HydrophobicContact CB-CE3 4.06Å; L64-W180 HydrophobicContact CB-CG 3.83Å; L64-W180 HydrophobicContact CB-CZ2 4.35Å; L64-W180 HydrophobicContact CD1-CD2 4.14Å; L64-W180 HydrophobicContact CD1-CE3 4.13Å; L64-W180 HydrophobicContact CD1-CH2 3.47Å; L64-W180 VanDerWaalsContact CD1-CH2 3.47Å; L64-W180 HydrophobicContact CD1-CZ2 3.46Å; L64-W180 VanDerWaalsContact CD1-CZ2 3.46Å; L64-W180 HydrophobicContact CD1-CZ3 3.81Å; L64-W180 HydrophobicContact CG-CD2 4.45Å; L64-W180 HydrophobicContact CG-CZ2 4.33Å; F65-W180 HydrophobicContact CB-CB 4.28Å; V176-W180 PolarHBondContact O-N 3.24Å; F177-W180 PolarHBondContact O-N 2.92Å; W180-V183 HydrophobicContact CE3-CB 4.03Å; W180-V183 HydrophobicContact CE3-CG1 4Å; W180-V183 HydrophobicContact CE3-CG2 4.43Å; W180-V183 HydrophobicContact CZ3-CB 4.36Å; W180-V183 HydrophobicContact CZ3-CG1 3.91Å; W180-V183 PolarHBondContact O-N 3.09Å; W180-Y184 WeakPolarHBondContact O-CB 3.26Å; W180-Y184 PolarHBondContact O-N 3.34Å; W180-I283 HydrophobicContact CZ2-CB 4.19Å; W180-I283 HydrophobicContact CZ2-CD1 4.44Å; W180-I283 PolarHBondContact NE1-O 3.01Å |
| 181 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F177 L178 S179 Y184 C185 | F177-G181 PolarHBondContact O-N 3.44Å; L178-G181 PolarHBondContact O-N 3.32Å; S179-G181 VanDerWaalsContact C-N 3.31Å; S179-G181 PolarHBondContact O-N 3.29Å; G181-Y184 PolarHBondContact O-N 3.46Å; G181-C185 WeakPolarHBondContact O-CB 3.41Å; G181-C185 PolarHBondContact O-N 3.45Å; G181-C185 PolarHBondContact O-SG 3.02Å; G181-C185 VanDerWaalsContact O-SG 3.39Å |
| 182 | V | 98.7 | Very high | 98.5 | Very high | 29 Ų | 29 | 23.2 Ų | 23.2 | 18% | 0.176 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.8 | -49.3 | 172 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L178 S179 Y184 C185 F186 Q227 L228 A231 | L178-V182 WeakPolarHBondContact O-CG2 3.24Å; L178-V182 PolarHBondContact O-N 2.93Å; S179-V182 PolarHBondContact O-N 3.5Å; V182-Y184 VanDerWaalsContact C-N 3.34Å; V182-Y184 PolarHBondContact O-N 3.36Å; V182-C185 PolarHBondContact O-N 3.37Å; V182-F186 WeakPolarHBondContact O-CB 3.33Å; V182-F186 PolarHBondContact O-N 2.7Å; V182-Q227 HydrophobicContact CG2-CB 3.9Å; V182-L228 HydrophobicContact CG1-CD1 4.03Å; V182-L228 HydrophobicContact CG2-CB 4.2Å; V182-A231 HydrophobicContact CG2-CB 4.09Å |
| 183 | V | 98.7 | Very high | 98.6 | Very high | 54 Ų | 54 | 25 Ų | 25 | 33% | 0.327 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 179.6 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | F61 S179 W180 F186 F187 | F61-V183 HydrophobicContact CD1-CG1 3.88Å; F61-V183 HydrophobicContact CD2-CG1 4.05Å; F61-V183 HydrophobicContact CE1-CG1 3.94Å; F61-V183 HydrophobicContact CE2-CG1 4.1Å; F61-V183 HydrophobicContact CG-CG1 3.93Å; F61-V183 HydrophobicContact CZ-CG1 4.05Å; S179-V183 WeakPolarHBondContact O-CG2 3.35Å; S179-V183 PolarHBondContact O-N 3Å; W180-V183 HydrophobicContact CE3-CB 4.03Å; W180-V183 HydrophobicContact CE3-CG1 4Å; W180-V183 HydrophobicContact CE3-CG2 4.43Å; W180-V183 HydrophobicContact CZ3-CB 4.36Å; W180-V183 HydrophobicContact CZ3-CG1 3.91Å; W180-V183 PolarHBondContact O-N 3.09Å; V183-F186 PolarHBondContact O-N 3.4Å; V183-F187 WeakPolarHBondContact O-CB 3.4Å; V183-F187 PolarHBondContact O-N 2.99Å |
| 184 | Y | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 28.1 Ų | 28.1 | 4% | 0.043 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -51.2 | 177.7 | 178.8 | -116.2 | 0 | 0 | 0 | 111.8 | S32 F58 F61 L62 W180 G181 V182 F187 I188 | S32-Y184 PolarHBondContact OG-OH 2.87Å; F58-Y184 AromaticContact CD2-CE2 3.9Å; F58-Y184 HydrophobicContact CD2-CE2 3.9Å; F58-Y184 HydrophobicContact CE2-CD2 4.5Å; F58-Y184 AromaticContact CE2-CE2 3.39Å; F58-Y184 HydrophobicContact CE2-CE2 3.39Å; F58-Y184 AromaticContact CE2-CZ 3.75Å; F58-Y184 VanDerWaalsContact CE2-OH 3.31Å; F58-Y184 WeakPolarHBondContact CE2-OH 3.2Å; F58-Y184 AromaticContact CZ-CE2 3.89Å; F58-Y184 HydrophobicContact CZ-CE2 3.89Å; F58-Y184 WeakPolarHBondContact CZ-OH 3.45Å; F61-Y184 HydrophobicContact CB-CD2 4.25Å; L62-Y184 HydrophobicContact CB-CD2 4.41Å; L62-Y184 HydrophobicContact CB-CE2 3.94Å; L62-Y184 HydrophobicContact CD1-CE2 4.01Å; W180-Y184 WeakPolarHBondContact O-CB 3.26Å; W180-Y184 PolarHBondContact O-N 3.34Å; G181-Y184 PolarHBondContact O-N 3.46Å; V182-Y184 VanDerWaalsContact C-N 3.34Å; V182-Y184 PolarHBondContact O-N 3.36Å; Y184-F187 PolarHBondContact O-N 2.87Å; Y184-I188 HydrophobicContact CD1-CD1 4.11Å; Y184-I188 HydrophobicContact CD2-CD1 4.34Å; Y184-I188 HydrophobicContact CE1-CD1 3.64Å; Y184-I188 HydrophobicContact CE2-CD1 3.9Å; Y184-I188 HydrophobicContact CG-CD1 4.43Å; Y184-I188 WeakPolarHBondContact O-CG1 3.32Å; Y184-I188 PolarHBondContact O-N 3.12Å; Y184-I188 VanDerWaalsContact O-N 3.1Å |
| 185 | C | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 29 Ų | 29 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 176.8 | -71.6 | 0 | 0 | 0 | 0 | 111.8 | G181 V182 F187 I188 I189 | G181-C185 WeakPolarHBondContact O-CB 3.41Å; G181-C185 PolarHBondContact O-N 3.45Å; G181-C185 PolarHBondContact O-SG 3.02Å; G181-C185 VanDerWaalsContact O-SG 3.39Å; V182-C185 PolarHBondContact O-N 3.37Å; C185-F187 VanDerWaalsContact C-N 3.34Å; C185-F187 PolarHBondContact O-N 2.85Å; C185-I188 PolarHBondContact O-N 3.45Å; C185-I189 WeakPolarHBondContact O-CD1 3.32Å; C185-I189 WeakPolarHBondContact O-CG1 3.16Å; C185-I189 PolarHBondContact O-N 2.9Å |
| 186 | F | 98.6 | Very high | 98.3 | Very high | 132 Ų | 132 | 31.3 Ų | 31.3 | 58% | 0.579 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -60.8 | -43.5 | 179.2 | -176.5 | -107.8 | 0 | 0 | 0 | 111.9 | V182 V183 I188 I189 C190 | V182-F186 WeakPolarHBondContact O-CB 3.33Å; V182-F186 PolarHBondContact O-N 2.7Å; V183-F186 PolarHBondContact O-N 3.4Å; F186-I188 PolarHBondContact O-N 3.31Å; F186-I189 PolarHBondContact O-N 2.93Å; F186-C190 VanDerWaalsContact CZ-SG 3.51Å; F186-C190 PolarHBondContact O-N 3.39Å; F186-C190 PolarHBondContact O-SG 3.35Å; F186-C190 VanDerWaalsContact O-SG 3.38Å |
| 187 | F | 98.8 | Very high | 98.2 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 176.2 | -177.3 | -102.9 | 0 | 0 | 0 | 112.1 | Y36 F57 F58 F61 V183 Y184 C185 I189 C190 T191 | Y36-F187 HydrophobicContact CE1-CE1 4.34Å; Y36-F187 AromaticContact CZ-CE1 3.77Å; Y36-F187 WeakPolarHBondContact OH-CE1 3.42Å; F57-F187 HydrophobicContact CB-CD2 4.47Å; F57-F187 HydrophobicContact CB-CE1 4.18Å; F57-F187 HydrophobicContact CB-CE2 3.65Å; F57-F187 HydrophobicContact CB-CZ 3.48Å; F57-F187 VanDerWaalsContact CB-CZ 3.48Å; F57-F187 HydrophobicContact CG-CE2 4.42Å; F58-F187 HydrophobicContact CB-CD1 4.49Å; F58-F187 HydrophobicContact CB-CE1 3.89Å; F61-F187 HydrophobicContact CD2-CB 3.76Å; F61-F187 HydrophobicContact CD2-CD1 4.08Å; F61-F187 HydrophobicContact CD2-CD2 4.09Å; F61-F187 AromaticContact CD2-CG 3.7Å; F61-F187 HydrophobicContact CD2-CG 3.7Å; F61-F187 HydrophobicContact CE2-CB 3.94Å; F61-F187 HydrophobicContact CE2-CD1 4.43Å; F61-F187 AromaticContact CE2-CD2 3.62Å; F61-F187 HydrophobicContact CE2-CD2 3.62Å; F61-F187 HydrophobicContact CE2-CE2 4.21Å; F61-F187 AromaticContact CE2-CG 3.73Å; F61-F187 HydrophobicContact CE2-CG 3.73Å; V183-F187 WeakPolarHBondContact O-CB 3.4Å; V183-F187 PolarHBondContact O-N 2.99Å; Y184-F187 PolarHBondContact O-N 2.87Å; C185-F187 VanDerWaalsContact C-N 3.34Å; C185-F187 PolarHBondContact O-N 2.85Å; F187-I189 PolarHBondContact O-N 3.44Å; F187-C190 PolarHBondContact O-N 3.39Å; F187-T191 HydrophobicContact CD2-CG2 4.24Å; F187-T191 HydrophobicContact CE1-CG2 4.16Å; F187-T191 HydrophobicContact CE2-CG2 3.83Å; F187-T191 HydrophobicContact CZ-CG2 3.78Å; F187-T191 WeakPolarHBondContact O-CB 3.27Å; F187-T191 WeakPolarHBondContact O-CG2 3.23Å; F187-T191 PolarHBondContact O-N 3.18Å; F187-T191 PolarHBondContact O-OG1 3.01Å |
| 188 | I | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 175 | -69.3 | 167.6 | 0 | 0 | 0 | 110.7 | Y36 F58 Y184 C185 F186 C190 T191 S192 L216 A220 | Y36-I188 HydrophobicContact CD2-CB 4.48Å; Y36-I188 HydrophobicContact CD2-CG1 3.88Å; Y36-I188 HydrophobicContact CD2-CG2 4.35Å; Y36-I188 HydrophobicContact CE2-CB 4.49Å; Y36-I188 HydrophobicContact CE2-CG1 4.1Å; F58-I188 HydrophobicContact CD2-CG1 4.44Å; F58-I188 HydrophobicContact CE2-CD1 4.17Å; F58-I188 HydrophobicContact CE2-CG1 4.13Å; Y184-I188 HydrophobicContact CD1-CD1 4.11Å; Y184-I188 HydrophobicContact CD2-CD1 4.34Å; Y184-I188 HydrophobicContact CE1-CD1 3.64Å; Y184-I188 HydrophobicContact CE2-CD1 3.9Å; Y184-I188 HydrophobicContact CG-CD1 4.43Å; Y184-I188 WeakPolarHBondContact O-CG1 3.32Å; Y184-I188 PolarHBondContact O-N 3.12Å; Y184-I188 VanDerWaalsContact O-N 3.1Å; C185-I188 PolarHBondContact O-N 3.45Å; F186-I188 PolarHBondContact O-N 3.31Å; I188-C190 PolarHBondContact O-N 3.12Å; I188-T191 PolarHBondContact O-N 3.35Å; I188-T191 PolarHBondContact O-OG1 3.27Å; I188-S192 VanDerWaalsContact O-CB 3.31Å; I188-S192 WeakPolarHBondContact O-CB 3.4Å; I188-S192 PolarHBondContact O-N 2.84Å; I188-S192 PolarHBondContact O-OG 3.32Å; I188-L216 HydrophobicContact CD1-CD1 4.34Å; I188-L216 HydrophobicContact CG2-CD1 3.84Å; I188-L216 HydrophobicContact CG2-CD2 4.21Å; I188-L216 HydrophobicContact CG2-CG 3.65Å; I188-A220 HydrophobicContact CB-CB 3.98Å; I188-A220 HydrophobicContact CG2-CB 3.57Å |
| 189 | I | 98.7 | Very high | 97.9 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 21% | 0.21 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.1 | -52.3 | 179.9 | -68.4 | 161.2 | 0 | 0 | 0 | 110.3 | C185 F186 F187 T191 S192 A193 F217 A220 A221 | C185-I189 WeakPolarHBondContact O-CD1 3.32Å; C185-I189 WeakPolarHBondContact O-CG1 3.16Å; C185-I189 PolarHBondContact O-N 2.9Å; F186-I189 PolarHBondContact O-N 2.93Å; F187-I189 PolarHBondContact O-N 3.44Å; I189-T191 PolarHBondContact O-N 3.26Å; I189-S192 PolarHBondContact O-N 3.45Å; I189-A193 WeakPolarHBondContact O-CB 3.3Å; I189-A193 PolarHBondContact O-N 2.89Å; I189-F217 HydrophobicContact CB-CE2 4.49Å; I189-F217 HydrophobicContact CG2-CD2 4.49Å; I189-F217 HydrophobicContact CG2-CE2 3.78Å; I189-F217 HydrophobicContact CG2-CZ 4.21Å; I189-A220 HydrophobicContact CG1-CB 3.98Å; I189-A221 HydrophobicContact CD1-CB 4.31Å |
| 190 | C | 98.5 | Very high | 97.8 | Very high | 68 Ų | 68 | 43.9 Ų | 43.9 | 46% | 0.459 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.3 | -43.8 | -177.9 | -70.7 | 0 | 0 | 0 | 0 | 112.8 | F186 F187 I188 | F186-C190 VanDerWaalsContact CZ-SG 3.51Å; F186-C190 PolarHBondContact O-N 3.39Å; F186-C190 PolarHBondContact O-SG 3.35Å; F186-C190 VanDerWaalsContact O-SG 3.38Å; F187-C190 PolarHBondContact O-N 3.39Å; I188-C190 PolarHBondContact O-N 3.12Å |
| 191 | T | 98.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 8% | 0.08 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -80.4 | -24 | -175.4 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | Y36 F54 F187 I188 I189 Y195 | Y36-T191 WeakPolarHBondContact CE2-OG1 3.33Å; Y36-T191 VanDerWaalsContact OH-CB 3.26Å; Y36-T191 WeakPolarHBondContact OH-CB 3.28Å; Y36-T191 PolarHBondContact OH-OG1 3.1Å; F54-T191 HydrophobicContact CD1-CG2 3.76Å; F54-T191 HydrophobicContact CD2-CG2 4.37Å; F54-T191 HydrophobicContact CE1-CG2 3.47Å; F54-T191 VanDerWaalsContact CE1-CG2 3.47Å; F54-T191 HydrophobicContact CE2-CG2 4.12Å; F54-T191 HydrophobicContact CG-CG2 4.23Å; F54-T191 HydrophobicContact CZ-CG2 3.67Å; F187-T191 HydrophobicContact CD2-CG2 4.24Å; F187-T191 HydrophobicContact CE1-CG2 4.16Å; F187-T191 HydrophobicContact CE2-CG2 3.83Å; F187-T191 HydrophobicContact CZ-CG2 3.78Å; F187-T191 WeakPolarHBondContact O-CB 3.27Å; F187-T191 WeakPolarHBondContact O-CG2 3.23Å; F187-T191 PolarHBondContact O-N 3.18Å; F187-T191 PolarHBondContact O-OG1 3.01Å; I188-T191 PolarHBondContact O-N 3.35Å; I188-T191 PolarHBondContact O-OG1 3.27Å; I189-T191 PolarHBondContact O-N 3.26Å; T191-Y195 WeakPolarHBondContact O-CD2 3.38Å |
| 192 | S | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -95 | -7 | 175.9 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | I188 I189 S194 Y195 F196 F217 | I188-S192 VanDerWaalsContact O-CB 3.31Å; I188-S192 WeakPolarHBondContact O-CB 3.4Å; I188-S192 PolarHBondContact O-N 2.84Å; I188-S192 PolarHBondContact O-OG 3.32Å; I189-S192 PolarHBondContact O-N 3.45Å; S192-S194 PolarHBondContact O-N 3.19Å; S192-Y195 PolarHBondContact O-N 3.19Å; S192-F196 WeakPolarHBondContact O-CB 3.42Å; S192-F196 PolarHBondContact O-N 3.08Å; S192-F217 WeakPolarHBondContact OG-CD2 3.43Å |
| 193 | A | 98.3 | Very high | 97 | Very high | 40 Ų | 40 | 59.3 Ų | 59.3 | 33% | 0.331 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I189 F196 A197 F217 | I189-A193 WeakPolarHBondContact O-CB 3.3Å; I189-A193 PolarHBondContact O-N 2.89Å; A193-F196 PolarHBondContact O-N 2.93Å; A193-A197 PolarHBondContact O-N 3.04Å; A193-F217 HydrophobicContact CB-CE2 3.98Å |
| 194 | S | 97.1 | Very high | 96.8 | Very high | 72 Ų | 72 | 64.3 Ų | 64.3 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 178 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | S192 A197 E198 | S192-S194 PolarHBondContact O-N 3.19Å; S194-A197 WeakPolarHBondContact O-CB 3.39Å; S194-A197 PolarHBondContact O-N 3.33Å; S194-E198 WeakPolarHBondContact O-CB 3.48Å; S194-E198 PolarHBondContact O-N 3.48Å |
| 195 | Y | 96.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 68.3 Ų | 68.3 | 9% | 0.086 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.7 | -36.8 | 178 | -59.7 | -84.4 | 0 | 0 | 0 | 112.3 | L40 Q44 V45 F54 T191 S192 E198 F199 | L40-Y195 HydrophobicContact CD1-CD1 3.94Å; L40-Y195 HydrophobicContact CD1-CD2 3.39Å; L40-Y195 HydrophobicContact CD1-CE1 4.16Å; L40-Y195 HydrophobicContact CD1-CE2 3.63Å; L40-Y195 HydrophobicContact CD1-CG 3.55Å; Q44-Y195 HydrophobicContact CB-CD1 3.87Å; Q44-Y195 HydrophobicContact CB-CE1 3.79Å; V45-Y195 HydrophobicContact CG2-CE2 4.42Å; V45-Y195 WeakPolarHBondContact CG2-OH 3.48Å; F54-Y195 HydrophobicContact CE2-CE2 4.41Å; T191-Y195 WeakPolarHBondContact O-CD2 3.38Å; S192-Y195 PolarHBondContact O-N 3.19Å; Y195-E198 PolarHBondContact O-N 2.93Å; Y195-F199 PolarHBondContact O-N 3.34Å |
| 196 | F | 96.6 | Very high | 95.9 | Very high | 48 Ų | 48 | 74 Ų | 74 | 21% | 0.211 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 169.4 | 178 | -87.2 | 0 | 0 | 0 | 110.9 | S192 A193 E198 F199 W200 L214 F217 I218 | S192-F196 WeakPolarHBondContact O-CB 3.42Å; S192-F196 PolarHBondContact O-N 3.08Å; A193-F196 PolarHBondContact O-N 2.93Å; F196-E198 VanDerWaalsContact C-N 3.35Å; F196-E198 PolarHBondContact O-N 3.46Å; F196-F199 WeakPolarHBondContact O-CB 3.06Å; F196-F199 PolarHBondContact O-N 3.47Å; F196-W200 AromaticContact CD1-NE1 3.97Å; F196-W200 AromaticContact CE1-CD1 3.7Å; F196-W200 AromaticContact CE1-NE1 3.38Å; F196-W200 AromaticContact CE2-NE1 3.69Å; F196-W200 AromaticContact CZ-NE1 3.22Å; F196-L214 HydrophobicContact CD2-CD1 3.62Å; F196-L214 HydrophobicContact CE2-CD1 3.39Å; F196-L214 HydrophobicContact CZ-CD1 4.33Å; F196-F217 HydrophobicContact CB-CB 4.25Å; F196-F217 HydrophobicContact CB-CD1 4.4Å; F196-F217 HydrophobicContact CB-CD2 4.04Å; F196-F217 HydrophobicContact CB-CG 3.97Å; F196-F217 HydrophobicContact CD1-CD1 4.28Å; F196-F217 HydrophobicContact CD1-CE1 4.22Å; F196-F217 HydrophobicContact CD2-CB 3.74Å; F196-F217 AromaticContact CD2-CD1 3.4Å; F196-F217 HydrophobicContact CD2-CD1 3.4Å; F196-F217 HydrophobicContact CD2-CD2 4.47Å; F196-F217 HydrophobicContact CD2-CE1 4.12Å; F196-F217 AromaticContact CD2-CG 3.61Å; F196-F217 HydrophobicContact CD2-CG 3.61Å; F196-F217 HydrophobicContact CE1-CD1 4.45Å; F196-F217 HydrophobicContact CE1-CE1 4.27Å; F196-F217 AromaticContact CE2-CD1 3.59Å; F196-F217 HydrophobicContact CE2-CD1 3.59Å; F196-F217 HydrophobicContact CE2-CE1 4.16Å; F196-F217 HydrophobicContact CE2-CG 4.27Å; F196-F217 HydrophobicContact CG-CB 4.28Å; F196-F217 AromaticContact CG-CD1 3.77Å; F196-F217 HydrophobicContact CG-CD1 3.77Å; F196-F217 HydrophobicContact CG-CD2 4.26Å; F196-F217 HydrophobicContact CG-CE1 4.15Å; F196-F217 AromaticContact CG-CG 3.84Å; F196-F217 HydrophobicContact CG-CG 3.84Å; F196-F217 HydrophobicContact CZ-CD1 4.14Å; F196-F217 HydrophobicContact CZ-CE1 4.24Å; F196-I218 HydrophobicContact CE2-CD1 4.37Å; F196-I218 HydrophobicContact CE2-CG1 4.03Å |
| 197 | A | 97.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 69.5 Ų | 69.5 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A193 S194 F199 W200 R201 | A193-A197 PolarHBondContact O-N 3.04Å; S194-A197 WeakPolarHBondContact O-CB 3.39Å; S194-A197 PolarHBondContact O-N 3.33Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.27Å; A197-W200 PolarHBondContact O-N 2.66Å; A197-R201 PolarHBondContact O-N 2.88Å |
| 198 | E | 94.7 | Very high | 95.6 | Very high | 84 Ų | 84 | 72.8 Ų | 72.8 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 176.6 | -169.5 | -174.6 | 155.7 | 0 | 0 | 112.1 | S194 Y195 F196 W200 R201 Y202 R210 | S194-E198 WeakPolarHBondContact O-CB 3.48Å; S194-E198 PolarHBondContact O-N 3.48Å; Y195-E198 PolarHBondContact O-N 2.93Å; F196-E198 VanDerWaalsContact C-N 3.35Å; F196-E198 PolarHBondContact O-N 3.46Å; E198-W200 VanDerWaalsContact C-N 3.27Å; E198-W200 PolarHBondContact O-N 3.47Å; E198-R201 PolarHBondContact O-N 3.46Å; E198-R201 VanDerWaalsContact O-N 3.12Å; E198-Y202 HydrophobicContact CG-CD2 3.69Å; E198-Y202 HydrophobicContact CG-CE2 3.99Å; E198-Y202 PolarHBondContact O-N 2.94Å; E198-R210 VanDerWaalsContact C-NH2 3.26Å; E198-R210 PolarHBondContact O-NH2 3.49Å |
| 199 | F | 95.3 | Very high | 95.4 | Very high | 24 Ų | 24 | 74.1 Ų | 74.1 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -49.7 | -50.3 | 173.2 | -177.1 | -86 | 0 | 0 | 0 | 111.1 | Y195 F196 A197 Y202 R210 F211 L214 | Y195-F199 PolarHBondContact O-N 3.34Å; F196-F199 WeakPolarHBondContact O-CB 3.06Å; F196-F199 PolarHBondContact O-N 3.47Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.27Å; F199-Y202 CarbonylContact O-C 3.57Å; F199-R210 VanDerWaalsContact CA-NH2 3.32Å; F199-R210 HydrophobicContact CD2-CB 4Å; F199-R210 HydrophobicContact CE2-CB 4.32Å; F199-F211 HydrophobicContact CE2-CD1 4.09Å; F199-F211 HydrophobicContact CE2-CE1 4.1Å; F199-F211 HydrophobicContact CE2-CG 4.32Å; F199-F211 HydrophobicContact CE2-CZ 4.33Å; F199-F211 HydrophobicContact CZ-CD1 4.06Å; F199-F211 AromaticContact CZ-CE1 3.67Å; F199-F211 HydrophobicContact CZ-CE1 3.67Å; F199-F211 AromaticContact CZ-CZ 3.99Å; F199-F211 HydrophobicContact CZ-CZ 3.99Å; F199-L214 HydrophobicContact CD1-CD1 3.96Å; F199-L214 HydrophobicContact CD1-CD2 4.17Å; F199-L214 HydrophobicContact CD2-CB 4.26Å; F199-L214 HydrophobicContact CE1-CD1 4.31Å; F199-L214 HydrophobicContact CE1-CD2 3.72Å; F199-L214 HydrophobicContact CE2-CB 4.44Å; F199-L214 HydrophobicContact CE2-CD2 4.12Å; F199-L214 HydrophobicContact CG-CB 4.46Å; F199-L214 HydrophobicContact CG-CD1 4.26Å; F199-L214 HydrophobicContact CZ-CD2 3.7Å |
| 200 | W | 95.4 | Very high | 95.3 | Very high | 153 Ų | 153 | 72.9 Ų | 72.9 | 58% | 0.58 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -75.2 | -25.7 | -179.4 | -61.2 | 109.5 | 0 | 0 | 0 | 113.8 | F196 A197 E198 L214 | F196-W200 AromaticContact CD1-NE1 3.97Å; F196-W200 AromaticContact CE1-CD1 3.7Å; F196-W200 AromaticContact CE1-NE1 3.38Å; F196-W200 AromaticContact CE2-NE1 3.69Å; F196-W200 AromaticContact CZ-NE1 3.22Å; A197-W200 PolarHBondContact O-N 2.66Å; E198-W200 VanDerWaalsContact C-N 3.27Å; E198-W200 PolarHBondContact O-N 3.47Å; W200-L214 HydrophobicContact CZ2-CD1 3.9Å |
| 201 | R | 95.7 | Very high | 95.2 | Very high | 188 Ų | 188 | 73.2 Ų | 73.2 | 71% | 0.709 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -73 | -31.2 | 176.4 | -168.7 | 173.2 | 178.8 | 87.5 | -0.4 | 112.6 | A197 E198 P203 | A197-R201 PolarHBondContact O-N 2.88Å; E198-R201 PolarHBondContact O-N 3.46Å; E198-R201 VanDerWaalsContact O-N 3.12Å; R201-P203 VanDerWaalsContact C-CD 3.49Å |
| 202 | Y | 93.6 | Very high | 95.2 | Very high | 121 Ų | 121 | 74.5 Ų | 74.5 | 48% | 0.475 | 38% | 0.38 | S | S | . | . | trans | -127.6 | 66.9 | -178.8 | -54.9 | -77.2 | 0 | 0 | 0 | 111.6 | E198 F199 N204 N205 R210 | E198-Y202 HydrophobicContact CG-CD2 3.69Å; E198-Y202 HydrophobicContact CG-CE2 3.99Å; E198-Y202 PolarHBondContact O-N 2.94Å; F199-Y202 CarbonylContact O-C 3.57Å; Y202-N204 PolarHBondContact O-N 3.37Å; Y202-N205 PolarHBondContact O-N 3.47Å; Y202-R210 PolarHBondContact O-NH1 2.99Å | ||
| 203 | P | 91.1 | Very high | 95.2 | Very high | 77 Ų | 77 | 74.6 Ų | 74.6 | 50% | 0.5 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -22.8 | -172.1 | 26.6 | -35.2 | 0 | 0 | 0 | 113.7 | R201 N205 | R201-P203 VanDerWaalsContact C-CD 3.49Å; P203-N205 VanDerWaalsContact C-N 3.31Å; P203-N205 PolarHBondContact O-N 2.97Å |
| 204 | N | 93.4 | Very high | 95.1 | Very high | 159 Ų | 159 | 73.2 Ų | 73.2 | 85% | 0.85 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -14.6 | -179.6 | -62.8 | -26.3 | 0 | 0 | 0 | 113.5 | Y202 I206 | Y202-N204 PolarHBondContact O-N 3.37Å; N204-I206 PolarHBondContact O-N 3.05Å |
| 205 | N | 89.9 | Confident | 95.2 | Very high | 95 Ų | 95 | 74.9 Ų | 74.9 | 51% | 0.508 | 37% | 0.366 | S | S | . | . | trans | -89.4 | 78.1 | 178.8 | 177.8 | 13.2 | 0 | 0 | 0 | 109.9 | Y202 P203 R210 | Y202-N205 PolarHBondContact O-N 3.47Å; P203-N205 VanDerWaalsContact C-N 3.31Å; P203-N205 PolarHBondContact O-N 2.97Å; N205-R210 VanDerWaalsContact CB-NH1 3.33Å; N205-R210 WeakPolarHBondContact O-CD 3.43Å; N205-R210 PolarHBondContact O-NH1 3.45Å | ||
| 206 | I | 89.2 | Confident | 95.3 | Very high | 125 Ų | 125 | 74 Ų | 74 | 64% | 0.641 | 36% | 0.362 | S | S | * | . | trans | -81.5 | 123.1 | -176.7 | -69.6 | 168.6 | 0 | 0 | 0 | 110.3 | N204 F211 | N204-I206 PolarHBondContact O-N 3.05Å; I206-F211 HydrophobicContact CG2-CE2 3.82Å | ||
| 207 | S | 94.6 | Very high | 95.4 | Very high | 39 Ų | 39 | 73.5 Ų | 73.5 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | trans | -143.9 | 152.1 | 166.7 | 70.6 | 0 | 0 | 0 | 0 | 111 | D209 R210 F211 | S207-D209 PolarHBondContact O-N 3.39Å; S207-R210 PolarHBondContact O-N 3.07Å; S207-R210 VanDerWaalsContact OG-CG 3.23Å; S207-R210 WeakPolarHBondContact OG-CG 3.12Å; S207-R210 PolarHBondContact OG-N 3.31Å; S207-F211 WeakPolarHBondContact O-CD2 3.09Å; S207-F211 PolarHBondContact O-N 3.36Å | ||
| 208 | V | 95.8 | Very high | 95.4 | Very high | 100 Ų | 100 | 73.9 Ų | 73.9 | 61% | 0.606 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.7 | -42.5 | 179.2 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | R210 F211 Q212 | V208-R210 PolarHBondContact O-N 3.33Å; V208-F211 WeakPolarHBondContact O-CB 3.4Å; V208-F211 PolarHBondContact O-N 3.36Å; V208-Q212 HydrophobicContact CG1-CG 4.46Å; V208-Q212 WeakPolarHBondContact O-CG 3.37Å; V208-Q212 PolarHBondContact O-N 2.78Å |
| 209 | D | 95.8 | Very high | 95.6 | Very high | 30 Ų | 30 | 71.6 Ų | 71.6 | 16% | 0.16 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.3 | -37.1 | -179.1 | -62 | -63.5 | 0 | 0 | 0 | 113.4 | S39 V43 Q44 S207 F211 Q212 V213 | S39-D209 VanDerWaalsContact CB-OD1 3.32Å; S39-D209 WeakPolarHBondContact CB-OD1 3.35Å; S39-D209 PolarHBondContact OG-OD1 3.49Å; V43-D209 HydrophobicContact CB-CB 4.49Å; V43-D209 HydrophobicContact CG1-CB 4.07Å; Q44-D209 PolarHBondContact NE2-O 2.66Å; S207-D209 PolarHBondContact O-N 3.39Å; D209-F211 VanDerWaalsContact C-N 3.33Å; D209-Q212 WeakPolarHBondContact O-CB 3.46Å; D209-Q212 PolarHBondContact O-N 3.29Å; D209-V213 PolarHBondContact O-N 3.05Å |
| 210 | R | 95.8 | Very high | 95.8 | Very high | 15 Ų | 15 | 70.8 Ų | 70.8 | 6% | 0.057 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.3 | -37.9 | 175.6 | -72.4 | -176.9 | 92 | -154.7 | 5.6 | 111.6 | E198 F199 Y202 N205 S207 V208 V213 L214 | E198-R210 VanDerWaalsContact C-NH2 3.26Å; E198-R210 PolarHBondContact O-NH2 3.49Å; F199-R210 VanDerWaalsContact CA-NH2 3.32Å; F199-R210 HydrophobicContact CD2-CB 4Å; F199-R210 HydrophobicContact CE2-CB 4.32Å; Y202-R210 PolarHBondContact O-NH1 2.99Å; N205-R210 VanDerWaalsContact CB-NH1 3.33Å; N205-R210 WeakPolarHBondContact O-CD 3.43Å; N205-R210 PolarHBondContact O-NH1 3.45Å; S207-R210 PolarHBondContact O-N 3.07Å; S207-R210 VanDerWaalsContact OG-CG 3.23Å; S207-R210 WeakPolarHBondContact OG-CG 3.12Å; S207-R210 PolarHBondContact OG-N 3.31Å; V208-R210 PolarHBondContact O-N 3.33Å; R210-V213 PolarHBondContact O-N 3.32Å; R210-L214 WeakPolarHBondContact O-CB 3.46Å; R210-L214 PolarHBondContact O-N 3.49Å |
| 211 | F | 97.1 | Very high | 95.9 | Very high | 76 Ų | 76 | 65.1 Ų | 65.1 | 33% | 0.333 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 171.5 | -82.4 | -72.5 | 0 | 0 | 0 | 112.6 | F199 I206 S207 V208 D209 V213 L214 F215 | F199-F211 HydrophobicContact CE2-CD1 4.09Å; F199-F211 HydrophobicContact CE2-CE1 4.1Å; F199-F211 HydrophobicContact CE2-CG 4.32Å; F199-F211 HydrophobicContact CE2-CZ 4.33Å; F199-F211 HydrophobicContact CZ-CD1 4.06Å; F199-F211 AromaticContact CZ-CE1 3.67Å; F199-F211 HydrophobicContact CZ-CE1 3.67Å; F199-F211 AromaticContact CZ-CZ 3.99Å; F199-F211 HydrophobicContact CZ-CZ 3.99Å; I206-F211 HydrophobicContact CG2-CE2 3.82Å; S207-F211 WeakPolarHBondContact O-CD2 3.09Å; S207-F211 PolarHBondContact O-N 3.36Å; V208-F211 WeakPolarHBondContact O-CB 3.4Å; V208-F211 PolarHBondContact O-N 3.36Å; D209-F211 VanDerWaalsContact C-N 3.33Å; F211-V213 VanDerWaalsContact C-N 3.32Å; F211-V213 PolarHBondContact O-N 3.16Å; F211-L214 HydrophobicContact CD1-CD2 4.09Å; F211-L214 HydrophobicContact CE1-CD2 4.4Å; F211-L214 WeakPolarHBondContact O-CB 3.36Å; F211-L214 PolarHBondContact O-N 3.39Å; F211-F215 HydrophobicContact CB-CE2 4.4Å; F211-F215 HydrophobicContact CD1-CE2 4.18Å; F211-F215 WeakPolarHBondContact O-CD2 3.37Å; F211-F215 PolarHBondContact O-N 2.97Å |
| 212 | Q | 97.9 | Very high | 96 | Very high | 39 Ų | 39 | 62 Ų | 62 | 18% | 0.182 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 174.9 | -67.2 | -63.5 | -28.6 | 0 | 0 | 111.2 | Y34 A35 V208 D209 F215 L216 | Y34-Q212 HydrophobicContact CE1-CG 4.14Å; A35-Q212 HydrophobicContact CB-CB 4.17Å; V208-Q212 HydrophobicContact CG1-CG 4.46Å; V208-Q212 WeakPolarHBondContact O-CG 3.37Å; V208-Q212 PolarHBondContact O-N 2.78Å; D209-Q212 WeakPolarHBondContact O-CB 3.46Å; D209-Q212 PolarHBondContact O-N 3.29Å; Q212-F215 PolarHBondContact O-N 3.47Å; Q212-L216 WeakPolarHBondContact O-CB 3.15Å; Q212-L216 PolarHBondContact O-N 3.4Å |
| 213 | V | 97.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.012 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.8 | -37.5 | 178.7 | 176.8 | 0 | 0 | 0 | 0 | 112.4 | L40 D209 R210 F211 L216 F217 | L40-V213 HydrophobicContact CB-CG2 3.7Å; L40-V213 HydrophobicContact CD1-CG1 4.21Å; L40-V213 HydrophobicContact CD1-CG2 4.23Å; D209-V213 PolarHBondContact O-N 3.05Å; R210-V213 PolarHBondContact O-N 3.32Å; F211-V213 VanDerWaalsContact C-N 3.32Å; F211-V213 PolarHBondContact O-N 3.16Å; V213-L216 PolarHBondContact O-N 3.47Å; V213-F217 PolarHBondContact O-N 2.7Å |
| 214 | L | 97.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.5 | -53.6 | 172.1 | 175.5 | 72.4 | 0 | 0 | 0 | 111.4 | F196 F199 W200 R210 F211 L216 F217 I218 | F196-L214 HydrophobicContact CD2-CD1 3.62Å; F196-L214 HydrophobicContact CE2-CD1 3.39Å; F196-L214 HydrophobicContact CZ-CD1 4.33Å; F199-L214 HydrophobicContact CD1-CD1 3.96Å; F199-L214 HydrophobicContact CD1-CD2 4.17Å; F199-L214 HydrophobicContact CD2-CB 4.26Å; F199-L214 HydrophobicContact CE1-CD1 4.31Å; F199-L214 HydrophobicContact CE1-CD2 3.72Å; F199-L214 HydrophobicContact CE2-CB 4.44Å; F199-L214 HydrophobicContact CE2-CD2 4.12Å; F199-L214 HydrophobicContact CG-CB 4.46Å; F199-L214 HydrophobicContact CG-CD1 4.26Å; F199-L214 HydrophobicContact CZ-CD2 3.7Å; W200-L214 HydrophobicContact CZ2-CD1 3.9Å; R210-L214 WeakPolarHBondContact O-CB 3.46Å; R210-L214 PolarHBondContact O-N 3.49Å; F211-L214 HydrophobicContact CD1-CD2 4.09Å; F211-L214 HydrophobicContact CE1-CD2 4.4Å; F211-L214 WeakPolarHBondContact O-CB 3.36Å; F211-L214 PolarHBondContact O-N 3.39Å; L214-L216 VanDerWaalsContact C-N 3.33Å; L214-L216 PolarHBondContact O-N 2.82Å; L214-F217 PolarHBondContact O-N 3.04Å; L214-I218 HydrophobicContact CD1-CD1 4.22Å; L214-I218 HydrophobicContact CG-CD1 4.15Å; L214-I218 WeakPolarHBondContact O-CG1 3.45Å; L214-I218 PolarHBondContact O-N 2.98Å |
| 215 | F | 98.1 | Very high | 96.8 | Very high | 107 Ų | 107 | 54.2 Ų | 54.2 | 47% | 0.469 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.1 | -35.8 | -180 | -72.1 | -60.2 | 0 | 0 | 0 | 112 | W31 F211 Q212 F217 I218 V219 | W31-F215 HydrophobicContact CH2-CB 3.94Å; W31-F215 HydrophobicContact CZ2-CB 3.93Å; F211-F215 HydrophobicContact CB-CE2 4.4Å; F211-F215 HydrophobicContact CD1-CE2 4.18Å; F211-F215 WeakPolarHBondContact O-CD2 3.37Å; F211-F215 PolarHBondContact O-N 2.97Å; Q212-F215 PolarHBondContact O-N 3.47Å; F215-F217 VanDerWaalsContact C-N 3.34Å; F215-F217 PolarHBondContact O-N 3.43Å; F215-I218 PolarHBondContact O-N 2.9Å; F215-V219 WeakPolarHBondContact O-CB 3.32Å; F215-V219 VanDerWaalsContact O-CG2 3.27Å; F215-V219 WeakPolarHBondContact O-CG2 3.24Å; F215-V219 PolarHBondContact O-N 3.45Å |
| 216 | L | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 176.4 | 177.3 | 63.6 | 0 | 0 | 0 | 111.2 | W31 A35 Y36 I188 Q212 V213 L214 A220 | W31-L216 HydrophobicContact CH2-CB 4.3Å; A35-L216 HydrophobicContact CB-CB 4.19Å; A35-L216 HydrophobicContact CB-CD1 4.25Å; A35-L216 HydrophobicContact CB-CD2 4.02Å; A35-L216 HydrophobicContact CB-CG 4.4Å; Y36-L216 HydrophobicContact CD2-CD2 3.94Å; Y36-L216 HydrophobicContact CG-CD2 4.43Å; I188-L216 HydrophobicContact CD1-CD1 4.34Å; I188-L216 HydrophobicContact CG2-CD1 3.84Å; I188-L216 HydrophobicContact CG2-CD2 4.21Å; I188-L216 HydrophobicContact CG2-CG 3.65Å; Q212-L216 WeakPolarHBondContact O-CB 3.15Å; Q212-L216 PolarHBondContact O-N 3.4Å; V213-L216 PolarHBondContact O-N 3.47Å; L214-L216 VanDerWaalsContact C-N 3.33Å; L214-L216 PolarHBondContact O-N 2.82Å; L216-A220 WeakPolarHBondContact O-CB 3.28Å; L216-A220 PolarHBondContact O-N 2.88Å |
| 217 | F | 98.6 | Very high | 97.5 | Very high | 38 Ų | 38 | 49.5 Ų | 49.5 | 17% | 0.167 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.6 | -48.5 | 175.8 | -178.9 | -85.8 | 0 | 0 | 0 | 111.7 | I189 S192 A193 F196 V213 L214 F215 A220 A221 | I189-F217 HydrophobicContact CB-CE2 4.49Å; I189-F217 HydrophobicContact CG2-CD2 4.49Å; I189-F217 HydrophobicContact CG2-CE2 3.78Å; I189-F217 HydrophobicContact CG2-CZ 4.21Å; S192-F217 WeakPolarHBondContact OG-CD2 3.43Å; A193-F217 HydrophobicContact CB-CE2 3.98Å; F196-F217 HydrophobicContact CB-CB 4.25Å; F196-F217 HydrophobicContact CB-CD1 4.4Å; F196-F217 HydrophobicContact CB-CD2 4.04Å; F196-F217 HydrophobicContact CB-CG 3.97Å; F196-F217 HydrophobicContact CD1-CD1 4.28Å; F196-F217 HydrophobicContact CD1-CE1 4.22Å; F196-F217 HydrophobicContact CD2-CB 3.74Å; F196-F217 AromaticContact CD2-CD1 3.4Å; F196-F217 HydrophobicContact CD2-CD1 3.4Å; F196-F217 HydrophobicContact CD2-CD2 4.47Å; F196-F217 HydrophobicContact CD2-CE1 4.12Å; F196-F217 AromaticContact CD2-CG 3.61Å; F196-F217 HydrophobicContact CD2-CG 3.61Å; F196-F217 HydrophobicContact CE1-CD1 4.45Å; F196-F217 HydrophobicContact CE1-CE1 4.27Å; F196-F217 AromaticContact CE2-CD1 3.59Å; F196-F217 HydrophobicContact CE2-CD1 3.59Å; F196-F217 HydrophobicContact CE2-CE1 4.16Å; F196-F217 HydrophobicContact CE2-CG 4.27Å; F196-F217 HydrophobicContact CG-CB 4.28Å; F196-F217 AromaticContact CG-CD1 3.77Å; F196-F217 HydrophobicContact CG-CD1 3.77Å; F196-F217 HydrophobicContact CG-CD2 4.26Å; F196-F217 HydrophobicContact CG-CE1 4.15Å; F196-F217 AromaticContact CG-CG 3.84Å; F196-F217 HydrophobicContact CG-CG 3.84Å; F196-F217 HydrophobicContact CZ-CD1 4.14Å; F196-F217 HydrophobicContact CZ-CE1 4.24Å; V213-F217 PolarHBondContact O-N 2.7Å; L214-F217 PolarHBondContact O-N 3.04Å; F215-F217 VanDerWaalsContact C-N 3.34Å; F215-F217 PolarHBondContact O-N 3.43Å; F217-A220 PolarHBondContact O-N 2.88Å; F217-A221 WeakPolarHBondContact O-CB 3.41Å; F217-A221 PolarHBondContact O-N 3.47Å |
| 218 | I | 98.5 | Very high | 97.7 | Very high | 65 Ų | 65 | 51.7 Ų | 51.7 | 33% | 0.333 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.2 | -49.1 | -177.8 | -66 | 168.7 | 0 | 0 | 0 | 111.1 | F196 L214 F215 A221 M222 | F196-I218 HydrophobicContact CE2-CD1 4.37Å; F196-I218 HydrophobicContact CE2-CG1 4.03Å; L214-I218 HydrophobicContact CD1-CD1 4.22Å; L214-I218 HydrophobicContact CG-CD1 4.15Å; L214-I218 WeakPolarHBondContact O-CG1 3.45Å; L214-I218 PolarHBondContact O-N 2.98Å; F215-I218 PolarHBondContact O-N 2.9Å; I218-A221 PolarHBondContact O-N 2.87Å; I218-M222 HydrophobicContact CG2-SD 4.15Å; I218-M222 WeakPolarHBondContact O-CG 3.5Å; I218-M222 PolarHBondContact O-N 3.2Å |
| 219 | V | 98.5 | Very high | 97.8 | Very high | 37 Ų | 37 | 49.1 Ų | 49.1 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 179.8 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | V28 W31 F215 A221 M222 F223 | V28-V219 HydrophobicContact CG1-CG1 4.11Å; W31-V219 HydrophobicContact CH2-CB 4.33Å; W31-V219 HydrophobicContact CH2-CG2 4.12Å; W31-V219 HydrophobicContact CZ3-CB 4.02Å; W31-V219 HydrophobicContact CZ3-CG1 4.05Å; W31-V219 HydrophobicContact CZ3-CG2 4.09Å; F215-V219 WeakPolarHBondContact O-CB 3.32Å; F215-V219 VanDerWaalsContact O-CG2 3.27Å; F215-V219 WeakPolarHBondContact O-CG2 3.24Å; F215-V219 PolarHBondContact O-N 3.45Å; V219-A221 VanDerWaalsContact C-N 3.32Å; V219-A221 PolarHBondContact O-N 3.41Å; V219-M222 PolarHBondContact O-N 3.11Å; V219-F223 HydrophobicContact CG1-CD2 3.62Å; V219-F223 HydrophobicContact CG1-CE2 3.76Å; V219-F223 WeakPolarHBondContact O-CD2 3.46Å; V219-F223 PolarHBondContact O-N 3.28Å |
| 220 | A | 98.8 | Very high | 98 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 5% | 0.05 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I188 I189 L216 F217 G224 | I188-A220 HydrophobicContact CB-CB 3.98Å; I188-A220 HydrophobicContact CG2-CB 3.57Å; I189-A220 HydrophobicContact CG1-CB 3.98Å; L216-A220 WeakPolarHBondContact O-CB 3.28Å; L216-A220 PolarHBondContact O-N 2.88Å; F217-A220 PolarHBondContact O-N 2.88Å; A220-G224 VanDerWaalsContact O-CA 3.31Å; A220-G224 WeakPolarHBondContact O-CA 3.17Å; A220-G224 PolarHBondContact O-N 3.41Å |
| 221 | A | 98.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 50.9 Ų | 50.9 | 28% | 0.281 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I189 F217 I218 V219 L225 | I189-A221 HydrophobicContact CD1-CB 4.31Å; F217-A221 WeakPolarHBondContact O-CB 3.41Å; F217-A221 PolarHBondContact O-N 3.47Å; I218-A221 PolarHBondContact O-N 2.87Å; V219-A221 VanDerWaalsContact C-N 3.32Å; V219-A221 PolarHBondContact O-N 3.41Å; A221-L225 WeakPolarHBondContact O-CB 3.24Å; A221-L225 PolarHBondContact O-N 3.43Å |
| 222 | M | 98.1 | Very high | 98.1 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 61% | 0.606 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.6 | -52.8 | 178.5 | -70.2 | 175.9 | 65 | 0 | 0 | 112.1 | I218 V219 G224 C226 | I218-M222 HydrophobicContact CG2-SD 4.15Å; I218-M222 WeakPolarHBondContact O-CG 3.5Å; I218-M222 PolarHBondContact O-N 3.2Å; V219-M222 PolarHBondContact O-N 3.11Å; M222-G224 VanDerWaalsContact C-N 3.35Å; M222-C226 PolarHBondContact O-N 3.35Å; M222-C226 PolarHBondContact O-SG 3.44Å; M222-C226 VanDerWaalsContact O-SG 3.4Å |
| 223 | F | 97.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 52.6 Ų | 52.6 | 26% | 0.263 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 178.3 | -83.9 | -85 | 0 | 0 | 0 | 111.9 | F24 V28 V219 Q227 | F24-F223 HydrophobicContact CE1-CE1 4.37Å; F24-F223 AromaticContact CE1-CZ 3.66Å; F24-F223 HydrophobicContact CE1-CZ 3.66Å; F24-F223 HydrophobicContact CZ-CZ 4.12Å; V28-F223 HydrophobicContact CG1-CE2 4.1Å; V28-F223 HydrophobicContact CG1-CZ 4.42Å; V28-F223 HydrophobicContact CG2-CE2 4.46Å; V28-F223 HydrophobicContact CG2-CZ 4.35Å; V219-F223 HydrophobicContact CG1-CD2 3.62Å; V219-F223 HydrophobicContact CG1-CE2 3.76Å; V219-F223 WeakPolarHBondContact O-CD2 3.46Å; V219-F223 PolarHBondContact O-N 3.28Å; F223-Q227 VanDerWaalsContact O-CB 3.27Å; F223-Q227 WeakPolarHBondContact O-CB 3.46Å; F223-Q227 VanDerWaalsContact O-CG 3.29Å; F223-Q227 WeakPolarHBondContact O-CG 3.41Å; F223-Q227 PolarHBondContact O-N 2.87Å; F223-Q227 PolarHBondContact O-NE2 2.91Å |
| 224 | G | 98.3 | Very high | 98.2 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 8% | 0.082 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A220 M222 L228 | A220-G224 VanDerWaalsContact O-CA 3.31Å; A220-G224 WeakPolarHBondContact O-CA 3.17Å; A220-G224 PolarHBondContact O-N 3.41Å; M222-G224 VanDerWaalsContact C-N 3.35Å; G224-L228 WeakPolarHBondContact O-CB 3.25Å; G224-L228 PolarHBondContact O-N 3.12Å |
| 225 | L | 98.2 | Very high | 98.3 | Very high | 126 Ų | 126 | 55 Ų | 55 | 66% | 0.66 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.3 | -47.4 | 178.2 | -178.9 | 62 | 0 | 0 | 0 | 112.1 | A221 L228 G229 | A221-L225 WeakPolarHBondContact O-CB 3.24Å; A221-L225 PolarHBondContact O-N 3.43Å; L225-L228 PolarHBondContact O-N 2.96Å; L225-G229 PolarHBondContact O-N 3.11Å; L225-G229 VanDerWaalsContact O-N 3.13Å |
| 226 | C | 97.7 | Very high | 98.3 | Very high | 95 Ų | 95 | 56.4 Ų | 56.4 | 64% | 0.642 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -62.8 | -44.8 | 178.5 | -69.4 | 0 | 0 | 0 | 0 | 111.9 | M222 G229 L230 | M222-C226 PolarHBondContact O-N 3.35Å; M222-C226 PolarHBondContact O-SG 3.44Å; M222-C226 VanDerWaalsContact O-SG 3.4Å; C226-G229 PolarHBondContact O-N 3.3Å; C226-L230 PolarHBondContact O-N 3.13Å; C226-L230 VanDerWaalsContact O-N 3.16Å |
| 227 | Q | 96.8 | Very high | 98.3 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 12% | 0.117 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.1 | -36.5 | 177.4 | -75.4 | -177.9 | 87.1 | 0 | 0 | 112.1 | V182 F223 G229 L230 A231 | V182-Q227 HydrophobicContact CG2-CB 3.9Å; F223-Q227 VanDerWaalsContact O-CB 3.27Å; F223-Q227 WeakPolarHBondContact O-CB 3.46Å; F223-Q227 VanDerWaalsContact O-CG 3.29Å; F223-Q227 WeakPolarHBondContact O-CG 3.41Å; F223-Q227 PolarHBondContact O-N 2.87Å; F223-Q227 PolarHBondContact O-NE2 2.91Å; Q227-G229 VanDerWaalsContact C-N 3.34Å; Q227-G229 PolarHBondContact O-N 2.8Å; Q227-L230 PolarHBondContact O-N 3.4Å; Q227-A231 WeakPolarHBondContact O-CB 3.37Å; Q227-A231 PolarHBondContact O-N 2.68Å |
| 228 | L | 98.5 | Very high | 98.3 | Very high | 85 Ų | 85 | 54.7 Ų | 54.7 | 45% | 0.445 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 176.3 | 178.2 | 63 | 0 | 0 | 0 | 111.2 | V182 G224 L225 S232 | V182-L228 HydrophobicContact CG1-CD1 4.03Å; V182-L228 HydrophobicContact CG2-CB 4.2Å; G224-L228 WeakPolarHBondContact O-CB 3.25Å; G224-L228 PolarHBondContact O-N 3.12Å; L225-L228 PolarHBondContact O-N 2.96Å; L228-S232 VanDerWaalsContact O-CB 3.25Å; L228-S232 WeakPolarHBondContact O-CB 3.42Å; L228-S232 PolarHBondContact O-N 3.41Å; L228-S232 PolarHBondContact O-OG 3.41Å |
| 229 | G | 98.3 | Very high | 98.3 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.6 | -49 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L225 C226 Q227 S232 Y233 | L225-G229 PolarHBondContact O-N 3.11Å; L225-G229 VanDerWaalsContact O-N 3.13Å; C226-G229 PolarHBondContact O-N 3.3Å; Q227-G229 VanDerWaalsContact C-N 3.34Å; Q227-G229 PolarHBondContact O-N 2.8Å; G229-S232 PolarHBondContact O-N 3.42Å; G229-Y233 PolarHBondContact O-N 3.44Å |
| 230 | L | 98.2 | Very high | 98.2 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 39% | 0.387 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | -179.8 | -173.6 | 60.3 | 0 | 0 | 0 | 112.4 | F174 L178 C226 Q227 S232 Y233 H234 | F174-L230 HydrophobicContact CZ-CD2 4.35Å; L178-L230 HydrophobicContact CD1-CD2 4.12Å; L178-L230 HydrophobicContact CD1-CG 3.83Å; L178-L230 HydrophobicContact CD2-CD2 3.78Å; L178-L230 HydrophobicContact CD2-CG 4.25Å; C226-L230 PolarHBondContact O-N 3.13Å; C226-L230 VanDerWaalsContact O-N 3.16Å; Q227-L230 PolarHBondContact O-N 3.4Å; L230-S232 VanDerWaalsContact C-N 3.34Å; L230-S232 PolarHBondContact O-N 2.85Å; L230-Y233 PolarHBondContact O-N 2.86Å; L230-H234 VanDerWaalsContact CD1-CD2 3.5Å; L230-H234 WeakPolarHBondContact CD1-CD2 3.46Å; L230-H234 PolarHBondContact O-CD2 3.42Å; L230-H234 VanDerWaalsContact O-CD2 3.29Å; L230-H234 PolarHBondContact O-N 3.48Å |
| 231 | A | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 52 Ų | 52 | 7% | 0.066 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L178 V182 Q227 Y233 H234 M235 | L178-A231 HydrophobicContact CB-CB 3.93Å; V182-A231 HydrophobicContact CG2-CB 4.09Å; Q227-A231 WeakPolarHBondContact O-CB 3.37Å; Q227-A231 PolarHBondContact O-N 2.68Å; A231-Y233 VanDerWaalsContact C-N 3.34Å; A231-Y233 PolarHBondContact O-N 2.89Å; A231-H234 PolarHBondContact O-N 3.44Å; A231-M235 WeakPolarHBondContact O-CB 3.34Å; A231-M235 VanDerWaalsContact O-CG 3.24Å; A231-M235 WeakPolarHBondContact O-CG 3.41Å; A231-M235 PolarHBondContact O-N 3.34Å |
| 232 | S | 98.5 | Very high | 98.1 | Very high | 63 Ų | 63 | 50.7 Ų | 50.7 | 44% | 0.441 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 179.1 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | L228 G229 L230 M235 Y236 | L228-S232 VanDerWaalsContact O-CB 3.25Å; L228-S232 WeakPolarHBondContact O-CB 3.42Å; L228-S232 PolarHBondContact O-N 3.41Å; L228-S232 PolarHBondContact O-OG 3.41Å; G229-S232 PolarHBondContact O-N 3.42Å; L230-S232 VanDerWaalsContact C-N 3.34Å; L230-S232 PolarHBondContact O-N 2.85Å; S232-M235 PolarHBondContact O-N 3.34Å; S232-Y236 WeakPolarHBondContact O-CB 3.47Å; S232-Y236 PolarHBondContact O-N 3.06Å |
| 233 | Y | 98.6 | Very high | 98.1 | Very high | 89 Ų | 89 | 44.9 Ų | 44.9 | 35% | 0.349 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.5 | -47.7 | 176.3 | 179.4 | -109.6 | 0 | 0 | 0 | 112 | G229 L230 A231 M235 Y236 L237 T244 | G229-Y233 PolarHBondContact O-N 3.44Å; L230-Y233 PolarHBondContact O-N 2.86Å; A231-Y233 VanDerWaalsContact C-N 3.34Å; A231-Y233 PolarHBondContact O-N 2.89Å; Y233-M235 VanDerWaalsContact C-N 3.33Å; Y233-M235 PolarHBondContact O-N 2.92Å; Y233-Y236 HydrophobicContact CD2-CD1 4.39Å; Y233-Y236 HydrophobicContact CE2-CD1 4.47Å; Y233-Y236 WeakPolarHBondContact O-CB 3.25Å; Y233-Y236 PolarHBondContact O-N 3.28Å; Y233-L237 HydrophobicContact CD1-CD1 4.03Å; Y233-L237 HydrophobicContact CD1-CG 4.37Å; Y233-L237 HydrophobicContact CE1-CD1 3.45Å; Y233-L237 VanDerWaalsContact CE1-CD1 3.45Å; Y233-L237 HydrophobicContact CE1-CD2 4.48Å; Y233-L237 HydrophobicContact CE1-CG 4.01Å; Y233-L237 HydrophobicContact CE2-CD2 4.2Å; Y233-L237 HydrophobicContact CE2-CG 4.31Å; Y233-L237 WeakPolarHBondContact O-CG 3.22Å; Y233-L237 PolarHBondContact O-N 3.48Å; Y233-T244 HydrophobicContact CE1-CG2 4.46Å |
| 234 | H | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.7 | -34.8 | 177.2 | -80.7 | -78.9 | 0 | 0 | 0 | 112.7 | D156 F174 I175 L230 A231 L237 V238 | D156-H234 IonicContact OD2-CE1 3.6Å; D156-H234 PolarHBondContact OD2-CE1 3.13Å; F174-H234 AromaticContact CE1-CD2 3.73Å; F174-H234 AromaticContact CE1-CE1 3.72Å; F174-H234 AromaticContact CE1-ND1 3.98Å; F174-H234 AromaticContact CE1-NE2 3.54Å; I175-H234 HydrophobicContact CG1-CB 4.41Å; L230-H234 VanDerWaalsContact CD1-CD2 3.5Å; L230-H234 WeakPolarHBondContact CD1-CD2 3.46Å; L230-H234 PolarHBondContact O-CD2 3.42Å; L230-H234 VanDerWaalsContact O-CD2 3.29Å; L230-H234 PolarHBondContact O-N 3.48Å; A231-H234 PolarHBondContact O-N 3.44Å; H234-L237 PolarHBondContact O-N 3.22Å; H234-V238 WeakPolarHBondContact O-CG2 3.33Å; H234-V238 PolarHBondContact O-N 3.4Å |
| 235 | M | 98.3 | Very high | 98 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 30% | 0.296 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 172.3 | -74.4 | -64.9 | -165.7 | 0 | 0 | 112 | I175 S179 A231 S232 Y233 V238 G239 F271 F275 | I175-M235 HydrophobicContact CG2-CE 3.61Å; I175-M235 HydrophobicContact CG2-SD 3.82Å; S179-M235 WeakPolarHBondContact OG-CE 3.33Å; A231-M235 WeakPolarHBondContact O-CB 3.34Å; A231-M235 VanDerWaalsContact O-CG 3.24Å; A231-M235 WeakPolarHBondContact O-CG 3.41Å; A231-M235 PolarHBondContact O-N 3.34Å; S232-M235 PolarHBondContact O-N 3.34Å; Y233-M235 VanDerWaalsContact C-N 3.33Å; Y233-M235 PolarHBondContact O-N 2.92Å; M235-V238 PolarHBondContact O-N 3.16Å; M235-G239 PolarHBondContact O-N 3.45Å; M235-F271 HydrophobicContact SD-CE1 4.01Å; M235-F271 HydrophobicContact SD-CZ 4.42Å; M235-F275 HydrophobicContact CE-CZ 4.25Å; M235-F275 HydrophobicContact SD-CE2 4.47Å; M235-F275 HydrophobicContact SD-CZ 4.21Å |
| 236 | Y | 98.5 | Very high | 98 | Very high | 137 Ų | 137 | 39.7 Ų | 39.7 | 54% | 0.537 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 171.7 | 162 | -101.8 | 0 | 0 | 0 | 111.4 | S232 Y233 V238 G239 I240 | S232-Y236 WeakPolarHBondContact O-CB 3.47Å; S232-Y236 PolarHBondContact O-N 3.06Å; Y233-Y236 HydrophobicContact CD2-CD1 4.39Å; Y233-Y236 HydrophobicContact CE2-CD1 4.47Å; Y233-Y236 WeakPolarHBondContact O-CB 3.25Å; Y233-Y236 PolarHBondContact O-N 3.28Å; Y236-V238 VanDerWaalsContact C-N 3.35Å; Y236-V238 PolarHBondContact O-N 2.87Å; Y236-G239 WeakPolarHBondContact O-CA 3.21Å; Y236-G239 PolarHBondContact O-N 2.99Å; Y236-I240 HydrophobicContact CD1-CD1 4.45Å; Y236-I240 HydrophobicContact CE1-CD1 3.72Å; Y236-I240 HydrophobicContact CE2-CD1 4.26Å; Y236-I240 HydrophobicContact CE2-CG2 4.21Å; Y236-I240 PolarHBondContact O-N 3.44Å; Y236-I240 VanDerWaalsContact O-N 3.14Å |
| 237 | L | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 177.4 | -69.8 | -173 | 0 | 0 | 0 | 112.6 | Y233 H234 G239 I240 N241 L242 T247 | Y233-L237 HydrophobicContact CD1-CD1 4.03Å; Y233-L237 HydrophobicContact CD1-CG 4.37Å; Y233-L237 HydrophobicContact CE1-CD1 3.45Å; Y233-L237 VanDerWaalsContact CE1-CD1 3.45Å; Y233-L237 HydrophobicContact CE1-CD2 4.48Å; Y233-L237 HydrophobicContact CE1-CG 4.01Å; Y233-L237 HydrophobicContact CE2-CD2 4.2Å; Y233-L237 HydrophobicContact CE2-CG 4.31Å; Y233-L237 WeakPolarHBondContact O-CG 3.22Å; Y233-L237 PolarHBondContact O-N 3.48Å; H234-L237 PolarHBondContact O-N 3.22Å; L237-G239 VanDerWaalsContact C-N 3.31Å; L237-G239 PolarHBondContact O-N 2.89Å; L237-I240 HydrophobicContact CD2-CD1 4.41Å; L237-I240 CarbonylContact O-C 3.25Å; L237-I240 WeakPolarHBondContact O-CG1 3.21Å; L237-I240 PolarHBondContact O-N 2.97Å; L237-N241 WeakPolarHBondContact O-CA 3.03Å; L237-N241 PolarHBondContact O-N 3.1Å; L237-L242 PolarHBondContact O-N 2.67Å; L237-T247 HydrophobicContact CD2-CG2 3.52Å |
| 238 | V | 98.2 | Very high | 97.8 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.8 | -42.4 | 171.5 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | I175 H234 M235 Y236 I240 N241 N270 F271 T274 F275 | I175-V238 HydrophobicContact CD1-CG2 3.49Å; I175-V238 VanDerWaalsContact CD1-CG2 3.49Å; H234-V238 WeakPolarHBondContact O-CG2 3.33Å; H234-V238 PolarHBondContact O-N 3.4Å; M235-V238 PolarHBondContact O-N 3.16Å; Y236-V238 VanDerWaalsContact C-N 3.35Å; Y236-V238 PolarHBondContact O-N 2.87Å; V238-I240 PolarHBondContact O-N 3.38Å; V238-I240 VanDerWaalsContact O-N 3.15Å; V238-N241 PolarHBondContact O-N 3.46Å; V238-N241 VanDerWaalsContact O-N 3.09Å; V238-N270 WeakPolarHBondContact O-CB 3.26Å; V238-F271 HydrophobicContact CG1-CB 4.48Å; V238-F271 HydrophobicContact CG1-CD1 4.02Å; V238-F271 HydrophobicContact CG1-CD2 4.07Å; V238-F271 HydrophobicContact CG1-CE1 4.24Å; V238-F271 HydrophobicContact CG1-CE2 4.32Å; V238-F271 HydrophobicContact CG1-CG 3.93Å; V238-F271 HydrophobicContact CG1-CZ 4.39Å; V238-T274 HydrophobicContact CG2-CG2 4.15Å; V238-F275 HydrophobicContact CG1-CD2 4.45Å; V238-F275 HydrophobicContact CG1-CE2 4Å |
| 239 | G | 98.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -24.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | M235 Y236 L237 N270 | M235-G239 PolarHBondContact O-N 3.45Å; Y236-G239 WeakPolarHBondContact O-CA 3.21Å; Y236-G239 PolarHBondContact O-N 2.99Å; L237-G239 VanDerWaalsContact C-N 3.31Å; L237-G239 PolarHBondContact O-N 2.89Å; G239-N270 PolarHBondContact O-ND2 2.99Å |
| 240 | I | 97.4 | Very high | 97.5 | Very high | 37 Ų | 37 | 48.9 Ų | 48.9 | 19% | 0.19 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 6.4 | 176.4 | 65.8 | 174.5 | 0 | 0 | 0 | 114.1 | Y236 L237 V238 L242 | Y236-I240 HydrophobicContact CD1-CD1 4.45Å; Y236-I240 HydrophobicContact CE1-CD1 3.72Å; Y236-I240 HydrophobicContact CE2-CD1 4.26Å; Y236-I240 HydrophobicContact CE2-CG2 4.21Å; Y236-I240 PolarHBondContact O-N 3.44Å; Y236-I240 VanDerWaalsContact O-N 3.14Å; L237-I240 HydrophobicContact CD2-CD1 4.41Å; L237-I240 CarbonylContact O-C 3.25Å; L237-I240 WeakPolarHBondContact O-CG1 3.21Å; L237-I240 PolarHBondContact O-N 2.97Å; V238-I240 PolarHBondContact O-N 3.38Å; V238-I240 VanDerWaalsContact O-N 3.15Å; I240-L242 HydrophobicContact CD1-CB 4.43Å; I240-L242 HydrophobicContact CD1-CD1 3.77Å; I240-L242 HydrophobicContact CD1-CG 4.2Å; I240-L242 HydrophobicContact CG1-CB 4.27Å; I240-L242 HydrophobicContact CG1-CD1 4.28Å; I240-L242 HydrophobicContact CG1-CG 4.16Å; I240-L242 PolarHBondContact O-N 2.68Å |
| 241 | N | 98 | Very high | 97.4 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 43.1 | -178.1 | -162 | 1.1 | 0 | 0 | 0 | 115.3 | R141 L237 V238 F263 N270 | R141-N241 PolarHBondContact NH1-OD1 3Å; R141-N241 PolarHBondContact NH2-O 3.4Å; L237-N241 WeakPolarHBondContact O-CA 3.03Å; L237-N241 PolarHBondContact O-N 3.1Å; V238-N241 PolarHBondContact O-N 3.46Å; V238-N241 VanDerWaalsContact O-N 3.09Å; N241-F263 HydrophobicContact CB-CB 4.18Å; N241-F263 VanDerWaalsContact CB-O 3.26Å; N241-F263 WeakPolarHBondContact CB-O 3.49Å; N241-F263 PolarHBondContact ND2-O 3.39Å; N241-N270 HydrophobicContact CB-CB 3.99Å |
| 242 | L | 98 | Very high | 97.3 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | trans | -110.9 | 151.6 | 171.3 | -66.4 | -178.8 | 0 | 0 | 0 | 111.1 | L237 I240 E246 T247 Y250 | L237-L242 PolarHBondContact O-N 2.67Å; I240-L242 HydrophobicContact CD1-CB 4.43Å; I240-L242 HydrophobicContact CD1-CD1 3.77Å; I240-L242 HydrophobicContact CD1-CG 4.2Å; I240-L242 HydrophobicContact CG1-CB 4.27Å; I240-L242 HydrophobicContact CG1-CD1 4.28Å; I240-L242 HydrophobicContact CG1-CG 4.16Å; I240-L242 PolarHBondContact O-N 2.68Å; L242-E246 WeakPolarHBondContact CA-OE2 3.31Å; L242-E246 HydrophobicContact CB-CB 4.42Å; L242-E246 HydrophobicContact CD2-CB 4.07Å; L242-T247 HydrophobicContact CB-CG2 4.45Å; L242-T247 HydrophobicContact CD1-CG2 4.38Å; L242-Y250 HydrophobicContact CD1-CE1 4.4Å | ||
| 243 | S | 97.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.014 | 22% | 0.217 | C | C | . | . | trans | -87.3 | 161.8 | 159.4 | 80.9 | 0 | 0 | 0 | 0 | 110.5 | D156 L245 E246 T247 | D156-S243 VanDerWaalsContact OD1-CA 3.31Å; D156-S243 WeakPolarHBondContact OD1-CA 3.1Å; D156-S243 WeakPolarHBondContact OD1-CB 3.42Å; S243-L245 VanDerWaalsContact C-N 3.25Å; S243-L245 PolarHBondContact O-N 3.27Å; S243-E246 PolarHBondContact N-OE2 2.85Å; S243-E246 WeakPolarHBondContact O-CB 3.2Å; S243-E246 PolarHBondContact O-N 3.36Å; S243-E246 VanDerWaalsContact OG-CG 3.32Å; S243-E246 WeakPolarHBondContact OG-CG 3.42Å; S243-E246 PolarHBondContact OG-N 3.26Å; S243-T247 PolarHBondContact O-N 3.09Å | ||
| 244 | T | 97.6 | Very high | 96.8 | Very high | 26 Ų | 26 | 46.3 Ų | 46.3 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.5 | -43.6 | 175.1 | -53.8 | 0 | 0 | 0 | 0 | 110.8 | D156 Y233 E246 T247 F248 | D156-T244 PolarHBondContact OD1-N 3.29Å; D156-T244 PolarHBondContact OD1-OG1 2.86Å; D156-T244 VanDerWaalsContact OD1-OG1 3.09Å; D156-T244 PolarHBondContact OD2-OG1 3.01Å; Y233-T244 HydrophobicContact CE1-CG2 4.46Å; T244-E246 VanDerWaalsContact C-N 3.33Å; T244-E246 PolarHBondContact O-N 2.85Å; T244-T247 PolarHBondContact O-N 3.48Å; T244-T247 PolarHBondContact O-OG1 2.88Å; T244-F248 HydrophobicContact CG2-CE2 4.11Å; T244-F248 VanDerWaalsContact O-CD2 3.26Å; T244-F248 WeakPolarHBondContact O-CD2 3.46Å |
| 245 | L | 96.7 | Very high | 96.4 | Very high | 53 Ų | 53 | 50 Ų | 50 | 28% | 0.277 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 176.7 | -76.4 | 170.2 | 0 | 0 | 0 | 112.9 | H143 M155 D156 S243 T247 F248 H249 | H143-L245 HydrophobicContact CB-CD1 3.94Å; M155-L245 HydrophobicContact CB-CD1 4.44Å; M155-L245 HydrophobicContact CE-CD1 4.32Å; M155-L245 HydrophobicContact CG-CD1 4.08Å; M155-L245 HydrophobicContact SD-CD1 4.22Å; D156-L245 WeakPolarHBondContact O-CD1 3.27Å; D156-L245 VanDerWaalsContact O-CG 3.27Å; D156-L245 WeakPolarHBondContact O-CG 3.29Å; S243-L245 VanDerWaalsContact C-N 3.25Å; S243-L245 PolarHBondContact O-N 3.27Å; L245-T247 PolarHBondContact O-N 3.37Å; L245-F248 PolarHBondContact O-N 3.37Å; L245-F248 VanDerWaalsContact O-N 3.17Å; L245-H249 PolarHBondContact O-N 3.3Å |
| 246 | E | 97 | Very high | 96.1 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.023 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.3 | -18.2 | 179 | -68.6 | 166.6 | 166.8 | 0 | 0 | 112.4 | R141 L242 S243 T244 H249 Y250 | R141-E246 WeakPolarHBondContact CB-OE1 3.48Å; R141-E246 VanDerWaalsContact CG-OE1 3.31Å; R141-E246 WeakPolarHBondContact CG-OE1 3.22Å; R141-E246 IonicContact CZ-OE1 3.25Å; R141-E246 IonicContact CZ-OE2 2.7Å; R141-E246 IonicContact NE-OE1 2.8Å; R141-E246 PolarHBondContact NE-OE1 3.49Å; R141-E246 IonicContact NE-OE2 3.67Å; R141-E246 IonicContact NH2-OE1 3.84Å; R141-E246 IonicContact NH2-OE2 3.01Å; R141-E246 PolarHBondContact NH2-OE2 2.93Å; L242-E246 WeakPolarHBondContact CA-OE2 3.31Å; L242-E246 HydrophobicContact CB-CB 4.42Å; L242-E246 HydrophobicContact CD2-CB 4.07Å; S243-E246 PolarHBondContact N-OE2 2.85Å; S243-E246 WeakPolarHBondContact O-CB 3.2Å; S243-E246 PolarHBondContact O-N 3.36Å; S243-E246 VanDerWaalsContact OG-CG 3.32Å; S243-E246 WeakPolarHBondContact OG-CG 3.42Å; S243-E246 PolarHBondContact OG-N 3.26Å; T244-E246 VanDerWaalsContact C-N 3.33Å; T244-E246 PolarHBondContact O-N 2.85Å; E246-H249 CarbonylContact O-C 3.59Å; E246-H249 VanDerWaalsContact O-C 3.25Å; E246-Y250 WeakPolarHBondContact O-CA 3.41Å; E246-Y250 VanDerWaalsContact O-CD1 3.27Å; E246-Y250 WeakPolarHBondContact O-CD1 3.38Å; E246-Y250 PolarHBondContact O-N 2.94Å |
| 247 | T | 96.4 | Very high | 95.8 | Very high | 33 Ų | 33 | 49 Ų | 49 | 20% | 0.202 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -74.5 | -25.8 | 171.8 | 71.5 | 0 | 0 | 0 | 0 | 113.7 | L237 L242 S243 T244 L245 | L237-T247 HydrophobicContact CD2-CG2 3.52Å; L242-T247 HydrophobicContact CB-CG2 4.45Å; L242-T247 HydrophobicContact CD1-CG2 4.38Å; S243-T247 PolarHBondContact O-N 3.09Å; T244-T247 PolarHBondContact O-N 3.48Å; T244-T247 PolarHBondContact O-OG1 2.88Å; L245-T247 PolarHBondContact O-N 3.37Å |
| 248 | F | 95.4 | Very high | 95.7 | Very high | 148 Ų | 148 | 52 Ų | 52 | 65% | 0.649 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -82.5 | -34.6 | 175.3 | -65.9 | -74.7 | 0 | 0 | 0 | 111.8 | T244 L245 | T244-F248 HydrophobicContact CG2-CE2 4.11Å; T244-F248 VanDerWaalsContact O-CD2 3.26Å; T244-F248 WeakPolarHBondContact O-CD2 3.46Å; L245-F248 PolarHBondContact O-N 3.37Å; L245-F248 VanDerWaalsContact O-N 3.17Å |
| 249 | H | 93.1 | Very high | 95.6 | Very high | 149 Ų | 149 | 53.6 Ų | 53.6 | 69% | 0.69 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -135 | 95.2 | 177.3 | -61.6 | -70.8 | 0 | 0 | 0 | 109.4 | L245 E246 | L245-H249 PolarHBondContact O-N 3.3Å; E246-H249 CarbonylContact O-C 3.59Å; E246-H249 VanDerWaalsContact O-C 3.25Å |
| 250 | Y | 96.5 | Very high | 95.4 | Very high | 114 Ų | 114 | 59.1 Ų | 59.1 | 45% | 0.447 | 31% | 0.308 | S | S | . | . | trans | -56.5 | 140.1 | 179.9 | -63.5 | -48.1 | 0 | 0 | 0 | 111.2 | L242 E246 K260 | L242-Y250 HydrophobicContact CD1-CE1 4.4Å; E246-Y250 WeakPolarHBondContact O-CA 3.41Å; E246-Y250 VanDerWaalsContact O-CD1 3.27Å; E246-Y250 WeakPolarHBondContact O-CD1 3.38Å; E246-Y250 PolarHBondContact O-N 2.94Å; Y250-K260 HydrophobicContact CD1-CB 3.64Å; Y250-K260 HydrophobicContact CD2-CB 4.25Å; Y250-K260 HydrophobicContact CE1-CB 3.65Å; Y250-K260 HydrophobicContact CE2-CB 4.26Å; Y250-K260 HydrophobicContact CG-CB 3.97Å | ||
| 251 | P | 96.7 | Very high | 95.4 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.052 | 31% | 0.308 | C | S | . | . | trans | -65.4 | 146.9 | -178.8 | 30.9 | -36.7 | 0 | 0 | 0 | 110 | L121 D259 L262 F263 | L121-P251 HydrophobicContact CD1-CB 4.07Å; L121-P251 HydrophobicContact CD2-CB 4.22Å; P251-D259 WeakPolarHBondContact CG-O 3.33Å; P251-D259 PolarHBondContact O-N 3.44Å; P251-L262 HydrophobicContact CB-CD2 3.83Å; P251-L262 HydrophobicContact CG-CB 3.97Å; P251-L262 HydrophobicContact CG-CD2 3.99Å; P251-F263 HydrophobicContact CB-CD2 4.46Å; P251-F263 HydrophobicContact CB-CE2 3.77Å; P251-F263 HydrophobicContact CG-CD2 3.98Å; P251-F263 HydrophobicContact CG-CE2 3.8Å | ||
| 252 | R | 94.9 | Very high | 95.3 | Very high | 50 Ų | 50 | 58.8 Ų | 58.8 | 19% | 0.189 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -134 | 124.9 | -176.9 | 172 | -173.6 | -75.5 | 168.6 | -7 | 108 | L121 S122 S124 G256 | L121-R252 CarbonylContact C-O 3.48Å; L121-R252 WeakPolarHBondContact CA-O 3.45Å; L121-R252 WeakPolarHBondContact CD2-O 3.24Å; S122-R252 PolarHBondContact N-O 3.49Å; S122-R252 WeakPolarHBondContact OG-CD 3.42Å; S124-R252 PolarHBondContact O-NH1 3.49Å; R252-G256 WeakPolarHBondContact CD-O 3.43Å; R252-G256 VanDerWaalsContact CG-O 3.23Å; R252-G256 WeakPolarHBondContact CG-O 3.41Å; R252-G256 PolarHBondContact NE-O 3.38Å |
| 253 | L | 95.7 | Very high | 95.3 | Very high | 54 Ų | 54 | 58.5 Ų | 58.5 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -65.8 | 148.8 | 167.8 | -68.9 | 172.5 | 0 | 0 | 0 | 110.1 | Y120 L121 G255 G256 L262 Y298 V300 | Y120-L253 WeakPolarHBondContact O-CA 3.29Å; L121-L253 HydrophobicContact CD2-CD2 4.23Å; L253-G255 PolarHBondContact O-N 3.43Å; L253-G256 WeakPolarHBondContact O-CA 3.38Å; L253-G256 PolarHBondContact O-N 3.05Å; L253-L262 HydrophobicContact CD1-CD1 3.8Å; L253-L262 HydrophobicContact CD2-CD1 4.19Å; L253-L262 HydrophobicContact CD2-CD2 4.27Å; L253-L262 HydrophobicContact CG-CD1 3.79Å; L253-L262 HydrophobicContact CG-CD2 4.14Å; L253-Y298 HydrophobicContact CD2-CD1 4.18Å; L253-Y298 HydrophobicContact CD2-CE1 4.15Å; L253-V300 HydrophobicContact CD1-CG2 4.22Å |
| 254 | R | 92.8 | Very high | 95.2 | Very high | 68 Ų | 68 | 60.6 Ų | 60.6 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | 126.3 | 175 | -68.2 | 174.5 | -169.8 | -170.6 | 0.9 | 111.1 | E109 V119 Y120 G256 | E109-R254 VanDerWaalsContact CD-NH1 3.32Å; E109-R254 IonicContact OE1-CZ 2.75Å; E109-R254 IonicContact OE1-NH1 3.55Å; E109-R254 PolarHBondContact OE1-NH1 3.4Å; E109-R254 IonicContact OE2-CZ 3.83Å; E109-R254 IonicContact OE2-NH1 3.26Å; E109-R254 PolarHBondContact OE2-NH1 3.4Å; V119-R254 VanDerWaalsContact CB-NH2 3.31Å; V119-R254 PolarHBondContact O-NE 3.2Å; V119-R254 PolarHBondContact O-NH2 2.9Å; Y120-R254 WeakPolarHBondContact O-CG 3.46Å; Y120-R254 PolarHBondContact O-N 3.44Å; R254-G256 PolarHBondContact O-N 3.26Å |
| 255 | G | 88.7 | Confident | 95.2 | Very high | 83 Ų | 83 | 60 Ų | 60 | 86% | 0.856 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | -5.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L253 | L253-G255 PolarHBondContact O-N 3.43Š|
| 256 | G | 91.4 | Very high | 95.2 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -90.8 | -179 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | R252 L253 R254 | R252-G256 WeakPolarHBondContact CD-O 3.43Å; R252-G256 VanDerWaalsContact CG-O 3.23Å; R252-G256 WeakPolarHBondContact CG-O 3.41Å; R252-G256 PolarHBondContact NE-O 3.38Å; L253-G256 WeakPolarHBondContact O-CA 3.38Å; L253-G256 PolarHBondContact O-N 3.05Å; R254-G256 PolarHBondContact O-N 3.26Å |
| 257 | Q | 93.3 | Very high | 95.1 | Very high | 147 Ų | 147 | 64.6 Ų | 64.6 | 69% | 0.687 | 35% | 0.345 | S | S | * | . | trans | -96.8 | 160.5 | 171.6 | -65 | -56.7 | -36 | 0 | 0 | 111 | D259 | Q257-D259 PolarHBondContact O-N 3.5Š| ||
| 258 | P | 95.9 | Very high | 95.1 | Very high | 64 Ų | 64 | 70.5 Ų | 70.5 | 42% | 0.416 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -59.4 | 128.7 | 173.7 | -18.7 | 32.8 | 0 | 0 | 0 | 110.6 | ||
| 259 | D | 95.8 | Very high | 95.2 | Very high | 36 Ų | 36 | 65.6 Ų | 65.6 | 19% | 0.193 | 34% | 0.342 | C | S | . | . | trans | -129.2 | 108.6 | -177.6 | 179.2 | 7.9 | 0 | 0 | 0 | 110.5 | P251 Q257 T261 L262 R299 | P251-D259 WeakPolarHBondContact CG-O 3.33Å; P251-D259 PolarHBondContact O-N 3.44Å; Q257-D259 PolarHBondContact O-N 3.5Å; D259-T261 PolarHBondContact O-N 3.26Å; D259-T261 WeakPolarHBondContact OD1-CA 3.29Å; D259-T261 PolarHBondContact OD1-N 3.48Å; D259-T261 PolarHBondContact OD1-OG1 2.97Å; D259-L262 HydrophobicContact CB-CB 4.16Å; D259-L262 WeakPolarHBondContact O-CB 3.46Å; D259-L262 PolarHBondContact O-N 3.34Å; D259-L262 PolarHBondContact OD2-N 2.94Å; D259-R299 IonicContact OD1-NH2 3.66Å; D259-R299 IonicContact OD2-CZ 3.16Å; D259-R299 IonicContact OD2-NH2 3.13Å; D259-R299 PolarHBondContact OD2-NH2 3.44Å | ||
| 260 | K | 95.5 | Very high | 95.4 | Very high | 127 Ų | 127 | 58.5 Ų | 58.5 | 55% | 0.552 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.8 | 176.6 | 73.5 | -178.1 | -178.3 | 178.1 | 0 | 113.7 | Y250 | Y250-K260 HydrophobicContact CD1-CB 3.64Å; Y250-K260 HydrophobicContact CD2-CB 4.25Å; Y250-K260 HydrophobicContact CE1-CB 3.65Å; Y250-K260 HydrophobicContact CE2-CB 4.26Å; Y250-K260 HydrophobicContact CG-CB 3.97Å |
| 261 | T | 96.3 | Very high | 95.5 | Very high | 32 Ų | 32 | 55.6 Ų | 55.6 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 6.7 | -176.3 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | D259 F263 N264 R299 | D259-T261 PolarHBondContact O-N 3.26Å; D259-T261 WeakPolarHBondContact OD1-CA 3.29Å; D259-T261 PolarHBondContact OD1-N 3.48Å; D259-T261 PolarHBondContact OD1-OG1 2.97Å; T261-F263 PolarHBondContact O-N 3.25Å; T261-F263 VanDerWaalsContact O-N 3.14Å; T261-N264 WeakPolarHBondContact O-CB 3.37Å; T261-N264 PolarHBondContact O-N 3.39Å; T261-R299 WeakPolarHBondContact O-CD 3.27Å; T261-R299 PolarHBondContact O-NE 3.37Å; T261-R299 PolarHBondContact OG1-NE 2.86Å; T261-R299 PolarHBondContact OG1-NH1 2.97Å; T261-R299 PolarHBondContact OG1-NH2 3.21Å |
| 262 | L | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -38.6 | -173 | -175.8 | 61.3 | 0 | 0 | 0 | 113.8 | L121 P251 L253 D259 Y298 R299 V300 | L121-L262 HydrophobicContact CD2-CD2 3.49Å; L121-L262 VanDerWaalsContact CD2-CD2 3.49Å; P251-L262 HydrophobicContact CB-CD2 3.83Å; P251-L262 HydrophobicContact CG-CB 3.97Å; P251-L262 HydrophobicContact CG-CD2 3.99Å; L253-L262 HydrophobicContact CD1-CD1 3.8Å; L253-L262 HydrophobicContact CD2-CD1 4.19Å; L253-L262 HydrophobicContact CD2-CD2 4.27Å; L253-L262 HydrophobicContact CG-CD1 3.79Å; L253-L262 HydrophobicContact CG-CD2 4.14Å; D259-L262 HydrophobicContact CB-CB 4.16Å; D259-L262 WeakPolarHBondContact O-CB 3.46Å; D259-L262 PolarHBondContact O-N 3.34Å; D259-L262 PolarHBondContact OD2-N 2.94Å; L262-Y298 HydrophobicContact CD1-CD1 4Å; L262-Y298 HydrophobicContact CD2-CD1 4.21Å; L262-Y298 HydrophobicContact CD2-CE1 4.25Å; L262-Y298 HydrophobicContact CG-CD1 3.9Å; L262-Y298 HydrophobicContact CG-CE1 4.4Å; L262-R299 WeakPolarHBondContact O-CB 3.4Å; L262-R299 PolarHBondContact O-N 3.49Å; L262-V300 HydrophobicContact CD1-CG2 4.27Å |
| 263 | F | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 3.6 | 179.6 | -63.3 | -65.1 | 0 | 0 | 0 | 113.5 | L121 R141 N241 P251 T261 L265 W296 Y298 | L121-F263 HydrophobicContact CD1-CE2 4.36Å; L121-F263 HydrophobicContact CD1-CZ 4.04Å; L121-F263 HydrophobicContact CD2-CZ 4.44Å; R141-F263 HydrophobicContact CG-CE1 4.32Å; R141-F263 HydrophobicContact CG-CE2 3.8Å; R141-F263 HydrophobicContact CG-CZ 3.6Å; N241-F263 HydrophobicContact CB-CB 4.18Å; N241-F263 VanDerWaalsContact CB-O 3.26Å; N241-F263 WeakPolarHBondContact CB-O 3.49Å; N241-F263 PolarHBondContact ND2-O 3.39Å; P251-F263 HydrophobicContact CB-CD2 4.46Å; P251-F263 HydrophobicContact CB-CE2 3.77Å; P251-F263 HydrophobicContact CG-CD2 3.98Å; P251-F263 HydrophobicContact CG-CE2 3.8Å; T261-F263 PolarHBondContact O-N 3.25Å; T261-F263 VanDerWaalsContact O-N 3.14Å; F263-L265 PolarHBondContact O-N 3.39Å; F263-W296 HydrophobicContact CD1-CB 4.38Å; F263-W296 HydrophobicContact CE1-CB 3.87Å; F263-W296 HydrophobicContact CE1-CG 4.31Å; F263-Y298 HydrophobicContact CD1-CD1 4.25Å; F263-Y298 HydrophobicContact CD1-CE1 4.25Å; F263-Y298 AromaticContact CE1-CD1 3.74Å; F263-Y298 HydrophobicContact CE1-CD1 3.74Å; F263-Y298 AromaticContact CE1-CE1 3.32Å; F263-Y298 HydrophobicContact CE1-CE1 3.32Å; F263-Y298 AromaticContact CE1-CZ 3.91Å; F263-Y298 HydrophobicContact CZ-CD1 4.41Å; F263-Y298 AromaticContact CZ-CE1 3.74Å; F263-Y298 HydrophobicContact CZ-CE1 3.74Å |
| 264 | N | 96.8 | Very high | 95.6 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | trans | -82.1 | 110.7 | -177.2 | -175.1 | -6.3 | 0 | 0 | 0 | 110.5 | T261 G266 N270 | T261-N264 WeakPolarHBondContact O-CB 3.37Å; T261-N264 PolarHBondContact O-N 3.39Å; N264-G266 PolarHBondContact OD1-N 3.42Å; N264-N270 PolarHBondContact OD1-ND2 3.3Å | ||
| 265 | L | 96.4 | Very high | 95.9 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | trans | -104.3 | 10.6 | -178.4 | -52.2 | 172.7 | 0 | 0 | 0 | 112.4 | F263 E269 N270 E273 R297 | F263-L265 PolarHBondContact O-N 3.39Å; L265-E269 HydrophobicContact CB-CB 3.71Å; L265-N270 PolarHBondContact N-OD1 3.27Å; L265-E273 HydrophobicContact CD1-CG 4.28Å; L265-R297 HydrophobicContact CD1-CB 3.65Å; L265-R297 HydrophobicContact CD1-CG 4.47Å; L265-R297 HydrophobicContact CD2-CB 4.23Å | ||
| 266 | G | 96.1 | Very high | 96.2 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | trans | 92.1 | 149.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N264 R268 E269 N270 | N264-G266 PolarHBondContact OD1-N 3.42Å; G266-R268 VanDerWaalsContact C-N 3.35Å; G266-R268 PolarHBondContact O-N 2.61Å; G266-E269 PolarHBondContact O-N 2.92Å; G266-N270 PolarHBondContact O-N 3Å; G266-N270 PolarHBondContact O-ND2 2.77Å; G266-N270 PolarHBondContact O-OD1 3.42Å | ||
| 267 | I | 96.6 | Very high | 96.2 | Very high | 120 Ų | 120 | 49.8 Ų | 49.8 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -50.8 | -50.9 | -167.4 | -62.2 | 172.8 | 0 | 0 | 0 | 112 | E269 N270 F271 | I267-E269 PolarHBondContact O-N 3.26Å; I267-N270 PolarHBondContact O-N 3.34Å; I267-F271 HydrophobicContact CG2-CD2 3.85Å; I267-F271 HydrophobicContact CG2-CE2 3.85Å; I267-F271 VanDerWaalsContact O-CD2 3.25Å; I267-F271 WeakPolarHBondContact O-CD2 3.5Å; I267-F271 PolarHBondContact O-N 2.69Å |
| 268 | R | 96.4 | Very high | 96.1 | Very high | 158 Ų | 158 | 46 Ų | 46 | 60% | 0.596 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -59.7 | -44.5 | -178.6 | -176 | -174 | -179.7 | -160.6 | 4.7 | 112.8 | G266 R272 F279 | G266-R268 VanDerWaalsContact C-N 3.35Å; G266-R268 PolarHBondContact O-N 2.61Å; R268-R272 VanDerWaalsContact NH2-NH2 3.13Å; R268-R272 WeakPolarHBondContact O-CG 3.14Å; R268-R272 PolarHBondContact O-N 2.9Å; R268-R272 VanDerWaalsContact O-N 3.09Å; R268-F279 HydrophobicContact CG-CE2 4.34Å; R268-F279 HydrophobicContact CG-CZ 4.28Å |
| 269 | E | 96.3 | Very high | 95.9 | Very high | 44 Ų | 44 | 46.5 Ų | 46.5 | 21% | 0.206 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71.5 | -37.8 | -179.7 | -68.8 | -55.6 | 120.9 | 0 | 0 | 111.3 | L265 G266 I267 F271 R272 E273 R297 | L265-E269 HydrophobicContact CB-CB 3.71Å; G266-E269 PolarHBondContact O-N 2.92Å; I267-E269 PolarHBondContact O-N 3.26Å; E269-F271 VanDerWaalsContact C-N 3.33Å; E269-F271 PolarHBondContact O-N 3.49Å; E269-R272 WeakPolarHBondContact O-CA 3.2Å; E269-R272 WeakPolarHBondContact O-CB 3.31Å; E269-R272 PolarHBondContact O-N 2.98Å; E269-R272 WeakPolarHBondContact OE1-CD 3.45Å; E269-R272 IonicContact OE1-CZ 3.73Å; E269-R272 IonicContact OE1-NE 2.88Å; E269-R272 IonicContact OE1-NH1 2.66Å; E269-R272 PolarHBondContact OE1-NH1 3.4Å; E269-E273 WeakPolarHBondContact O-CG 3.49Å; E269-E273 PolarHBondContact O-N 3.34Å; E269-R297 IonicContact OE2-CZ 2.99Å; E269-R297 IonicContact OE2-NH1 2.87Å; E269-R297 PolarHBondContact OE2-NH1 2.93Å; E269-R297 VanDerWaalsContact OE2-NH1 3.13Å; E269-R297 IonicContact OE2-NH2 2.78Å; E269-R297 PolarHBondContact OE2-NH2 2.79Å; E269-R297 VanDerWaalsContact OE2-NH2 3.16Å |
| 270 | N | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 175.1 | -61.5 | -19.9 | 0 | 0 | 0 | 112.2 | V238 G239 N241 N264 L265 G266 I267 R272 E273 | V238-N270 WeakPolarHBondContact O-CB 3.26Å; G239-N270 PolarHBondContact O-ND2 2.99Å; N241-N270 HydrophobicContact CB-CB 3.99Å; N264-N270 PolarHBondContact OD1-ND2 3.3Å; L265-N270 PolarHBondContact N-OD1 3.27Å; G266-N270 PolarHBondContact O-N 3Å; G266-N270 PolarHBondContact O-ND2 2.77Å; G266-N270 PolarHBondContact O-OD1 3.42Å; I267-N270 PolarHBondContact O-N 3.34Å; N270-R272 VanDerWaalsContact C-N 3.34Å; N270-E273 WeakPolarHBondContact O-CB 3.48Å; N270-E273 PolarHBondContact O-N 3.05Å |
| 271 | F | 97.8 | Very high | 95.7 | Very high | 53 Ų | 53 | 48.6 Ų | 48.6 | 23% | 0.232 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.9 | -38 | 171.9 | -88.1 | -102.4 | 0 | 0 | 0 | 111.6 | M235 V238 I267 E269 E273 T274 F275 F279 | M235-F271 HydrophobicContact SD-CE1 4.01Å; M235-F271 HydrophobicContact SD-CZ 4.42Å; V238-F271 HydrophobicContact CG1-CB 4.48Å; V238-F271 HydrophobicContact CG1-CD1 4.02Å; V238-F271 HydrophobicContact CG1-CD2 4.07Å; V238-F271 HydrophobicContact CG1-CE1 4.24Å; V238-F271 HydrophobicContact CG1-CE2 4.32Å; V238-F271 HydrophobicContact CG1-CG 3.93Å; V238-F271 HydrophobicContact CG1-CZ 4.39Å; I267-F271 HydrophobicContact CG2-CD2 3.85Å; I267-F271 HydrophobicContact CG2-CE2 3.85Å; I267-F271 VanDerWaalsContact O-CD2 3.25Å; I267-F271 WeakPolarHBondContact O-CD2 3.5Å; I267-F271 PolarHBondContact O-N 2.69Å; E269-F271 VanDerWaalsContact C-N 3.33Å; E269-F271 PolarHBondContact O-N 3.49Å; F271-E273 VanDerWaalsContact C-N 3.3Å; F271-E273 PolarHBondContact O-N 3.22Å; F271-T274 PolarHBondContact O-N 2.95Å; F271-T274 VanDerWaalsContact O-N 3.13Å; F271-F275 HydrophobicContact CB-CD2 4.36Å; F271-F275 AromaticContact CD1-CD2 3.69Å; F271-F275 HydrophobicContact CD1-CD2 3.69Å; F271-F275 AromaticContact CD1-CE2 3.55Å; F271-F275 HydrophobicContact CD1-CE2 3.55Å; F271-F275 HydrophobicContact CE1-CD2 4.48Å; F271-F275 AromaticContact CE1-CE2 3.91Å; F271-F275 HydrophobicContact CE1-CE2 3.91Å; F271-F275 HydrophobicContact CG-CD2 4.42Å; F271-F275 WeakPolarHBondContact O-CD2 3.33Å; F271-F275 PolarHBondContact O-N 3.12Å; F271-F279 HydrophobicContact CB-CE1 4.03Å; F271-F279 HydrophobicContact CB-CZ 4.4Å |
| 272 | R | 97.1 | Very high | 95.7 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 25% | 0.245 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -34.7 | 174.5 | -77.5 | 173.3 | 163.1 | 171.5 | -9.8 | 112.9 | R268 E269 N270 T274 G276 S277 F279 P290 | R268-R272 VanDerWaalsContact NH2-NH2 3.13Å; R268-R272 WeakPolarHBondContact O-CG 3.14Å; R268-R272 PolarHBondContact O-N 2.9Å; R268-R272 VanDerWaalsContact O-N 3.09Å; E269-R272 WeakPolarHBondContact O-CA 3.2Å; E269-R272 WeakPolarHBondContact O-CB 3.31Å; E269-R272 PolarHBondContact O-N 2.98Å; E269-R272 WeakPolarHBondContact OE1-CD 3.45Å; E269-R272 IonicContact OE1-CZ 3.73Å; E269-R272 IonicContact OE1-NE 2.88Å; E269-R272 IonicContact OE1-NH1 2.66Å; E269-R272 PolarHBondContact OE1-NH1 3.4Å; N270-R272 VanDerWaalsContact C-N 3.34Å; R272-T274 PolarHBondContact O-N 3.46Å; R272-T274 VanDerWaalsContact O-N 3.12Å; R272-G276 WeakPolarHBondContact O-CA 2.94Å; R272-G276 PolarHBondContact O-N 2.99Å; R272-S277 PolarHBondContact NE-OG 3.41Å; R272-F279 HydrophobicContact CG-CE1 4.47Å; R272-F279 HydrophobicContact CG-CE2 3.88Å; R272-F279 HydrophobicContact CG-CZ 3.59Å; R272-P290 VanDerWaalsContact O-CD 3.29Å; R272-P290 WeakPolarHBondContact O-CD 3.48Å; R272-P290 WeakPolarHBondContact O-CG 3.38Å |
| 273 | E | 96.7 | Very high | 95.6 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -19 | 175.3 | -67.8 | -70.7 | 110.2 | 0 | 0 | 113.3 | L265 E269 N270 F271 T289 R297 | L265-E273 HydrophobicContact CD1-CG 4.28Å; E269-E273 WeakPolarHBondContact O-CG 3.49Å; E269-E273 PolarHBondContact O-N 3.34Å; N270-E273 WeakPolarHBondContact O-CB 3.48Å; N270-E273 PolarHBondContact O-N 3.05Å; F271-E273 VanDerWaalsContact C-N 3.3Å; F271-E273 PolarHBondContact O-N 3.22Å; E273-T289 WeakPolarHBondContact O-CG2 3.22Å; E273-R297 IonicContact OE1-CZ 3.66Å; E273-R297 VanDerWaalsContact OE1-CZ 3.25Å; E273-R297 IonicContact OE1-NE 2.69Å; E273-R297 PolarHBondContact OE1-NE 3.42Å; E273-R297 IonicContact OE1-NH2 3.18Å; E273-R297 PolarHBondContact OE1-NH2 3.04Å |
| 274 | T | 96.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -112.9 | -41.6 | -179.6 | -57.8 | 0 | 0 | 0 | 0 | 112.8 | I175 V238 F271 R272 T289 | I175-T274 HydrophobicContact CD1-CG2 3.59Å; V238-T274 HydrophobicContact CG2-CG2 4.15Å; F271-T274 PolarHBondContact O-N 2.95Å; F271-T274 VanDerWaalsContact O-N 3.13Å; R272-T274 PolarHBondContact O-N 3.46Å; R272-T274 VanDerWaalsContact O-N 3.12Å; T274-T289 PolarHBondContact O-OG1 2.93Å |
| 275 | F | 97.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 53 Ų | 53 | 4% | 0.039 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -100.8 | -12.2 | -175.9 | -63 | -77.6 | 0 | 0 | 0 | 113.9 | K172 I175 V176 M235 V238 F271 A282 T288 | K172-F275 HydrophobicContact CD-CD1 4.45Å; K172-F275 HydrophobicContact CG-CD1 3.96Å; K172-F275 HydrophobicContact CG-CE1 4.33Å; I175-F275 HydrophobicContact CB-CZ 4.27Å; I175-F275 HydrophobicContact CD1-CZ 4.31Å; I175-F275 HydrophobicContact CG2-CE1 4.23Å; I175-F275 HydrophobicContact CG2-CZ 3.68Å; V176-F275 HydrophobicContact CG2-CE1 4.19Å; M235-F275 HydrophobicContact CE-CZ 4.25Å; M235-F275 HydrophobicContact SD-CE2 4.47Å; M235-F275 HydrophobicContact SD-CZ 4.21Å; V238-F275 HydrophobicContact CG1-CD2 4.45Å; V238-F275 HydrophobicContact CG1-CE2 4Å; F271-F275 HydrophobicContact CB-CD2 4.36Å; F271-F275 AromaticContact CD1-CD2 3.69Å; F271-F275 HydrophobicContact CD1-CD2 3.69Å; F271-F275 AromaticContact CD1-CE2 3.55Å; F271-F275 HydrophobicContact CD1-CE2 3.55Å; F271-F275 HydrophobicContact CE1-CD2 4.48Å; F271-F275 AromaticContact CE1-CE2 3.91Å; F271-F275 HydrophobicContact CE1-CE2 3.91Å; F271-F275 HydrophobicContact CG-CD2 4.42Å; F271-F275 WeakPolarHBondContact O-CD2 3.33Å; F271-F275 PolarHBondContact O-N 3.12Å; F275-A282 HydrophobicContact CB-CB 3.86Å; F275-A282 HydrophobicContact CD1-CB 3.83Å; F275-A282 HydrophobicContact CG-CB 4Å; F275-T288 WeakPolarHBondContact O-CB 3.31Å; F275-T288 PolarHBondContact O-OG1 3.17Å |
| 276 | G | 95.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 54.4 Ų | 54.4 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | trans | 66.6 | -152.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R272 T288 | R272-G276 WeakPolarHBondContact O-CA 2.94Å; R272-G276 PolarHBondContact O-N 2.99Å; G276-T288 VanDerWaalsContact CA-O 3.27Å; G276-T288 WeakPolarHBondContact CA-O 3.38Å | ||
| 277 | S | 91.3 | Very high | 95.6 | Very high | 67 Ų | 67 | 57.5 Ų | 57.5 | 47% | 0.469 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -142.5 | 147.7 | 174.2 | -72.3 | 0 | 0 | 0 | 0 | 109.5 | R272 | R272-S277 PolarHBondContact NE-OG 3.41Š|
| 278 | P | 92.9 | Very high | 95.6 | Very high | 67 Ų | 67 | 53 Ų | 53 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | S | Bend | cis | -78.2 | 152.1 | 2.2 | 36.9 | -39.3 | 0 | 0 | 0 | 112.4 | Q280 L281 | P278-Q280 PolarHBondContact O-N 3.43Å; P278-Q280 VanDerWaalsContact O-N 3.11Å; P278-L281 HydrophobicContact CG-CD1 4.27Å; P278-L281 HydrophobicContact CG-CG 4.21Å; P278-L281 PolarHBondContact O-N 3.37Å; P278-L281 VanDerWaalsContact O-N 3.08Å |
| 279 | F | 91.3 | Very high | 95.6 | Very high | 74 Ų | 74 | 45.9 Ų | 45.9 | 33% | 0.325 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -62.7 | -19.3 | -174.9 | -85.1 | -76.5 | 0 | 0 | 0 | 114 | R268 F271 R272 L281 A282 | R268-F279 HydrophobicContact CG-CE2 4.34Å; R268-F279 HydrophobicContact CG-CZ 4.28Å; F271-F279 HydrophobicContact CB-CE1 4.03Å; F271-F279 HydrophobicContact CB-CZ 4.4Å; R272-F279 HydrophobicContact CG-CE1 4.47Å; R272-F279 HydrophobicContact CG-CE2 3.88Å; R272-F279 HydrophobicContact CG-CZ 3.59Å; F279-L281 PolarHBondContact O-N 3.06Å; F279-A282 WeakPolarHBondContact O-CB 3.07Å; F279-A282 PolarHBondContact O-N 3Å |
| 280 | Q | 91.7 | Very high | 95.6 | Very high | 145 Ų | 145 | 46.5 Ų | 46.5 | 68% | 0.678 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -60 | -30 | 174.5 | -65.3 | 86.2 | -32.4 | 0 | 0 | 111.8 | P278 A282 | P278-Q280 PolarHBondContact O-N 3.43Å; P278-Q280 VanDerWaalsContact O-N 3.11Å; Q280-A282 VanDerWaalsContact C-N 3.27Å; Q280-A282 PolarHBondContact O-N 2.9Å |
| 281 | L | 95 | Very high | 95.5 | Very high | 63 Ų | 63 | 49.5 Ų | 49.5 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -82.9 | -2.5 | 175.6 | -60.9 | -177.7 | 0 | 0 | 0 | 112.9 | K172 P278 F279 I283 L284 V286 T288 | K172-L281 PolarHBondContact NZ-O 2.93Å; P278-L281 HydrophobicContact CG-CD1 4.27Å; P278-L281 HydrophobicContact CG-CG 4.21Å; P278-L281 PolarHBondContact O-N 3.37Å; P278-L281 VanDerWaalsContact O-N 3.08Å; F279-L281 PolarHBondContact O-N 3.06Å; L281-I283 VanDerWaalsContact C-N 3.28Å; L281-I283 PolarHBondContact O-N 3.38Å; L281-L284 HydrophobicContact CD2-CD1 4.01Å; L281-L284 PolarHBondContact O-N 2.89Å; L281-V286 HydrophobicContact CB-CG2 4.17Å; L281-V286 HydrophobicContact CD2-CG2 4.48Å; L281-T288 HydrophobicContact CB-CG2 4.02Å; L281-T288 HydrophobicContact CD1-CG2 4Å |
| 282 | A | 95 | Very high | 95.4 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 13% | 0.132 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -63.6 | -35.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V176 F275 F279 Q280 L284 | V176-A282 WeakPolarHBondContact CG2-O 3.23Å; F275-A282 HydrophobicContact CB-CB 3.86Å; F275-A282 HydrophobicContact CD1-CB 3.83Å; F275-A282 HydrophobicContact CG-CB 4Å; F279-A282 WeakPolarHBondContact O-CB 3.07Å; F279-A282 PolarHBondContact O-N 3Å; Q280-A282 VanDerWaalsContact C-N 3.27Å; Q280-A282 PolarHBondContact O-N 2.9Å; A282-L284 VanDerWaalsContact C-N 3.31Å |
| 283 | I | 95.6 | Very high | 95.4 | Very high | 103 Ų | 103 | 47.6 Ų | 47.6 | 53% | 0.528 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -79.6 | -12.4 | 179.6 | 67.9 | 173.3 | 0 | 0 | 0 | 113.3 | V176 W180 L281 | V176-I283 WeakPolarHBondContact CG1-O 3.43Å; W180-I283 HydrophobicContact CZ2-CB 4.19Å; W180-I283 HydrophobicContact CZ2-CD1 4.44Å; W180-I283 PolarHBondContact NE1-O 3.01Å; L281-I283 VanDerWaalsContact C-N 3.28Å; L281-I283 PolarHBondContact O-N 3.38Å |
| 284 | L | 97.5 | Very high | 95.4 | Very high | 53 Ų | 53 | 47 Ų | 47 | 28% | 0.277 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -98.2 | 139.9 | -179.3 | -65.1 | -179.8 | 0 | 0 | 0 | 110.6 | L64 W67 K172 L281 A282 V286 | L64-L284 HydrophobicContact CD2-CD2 4.01Å; W67-L284 HydrophobicContact CZ3-CD2 4.43Å; K172-L284 WeakPolarHBondContact CE-O 3.25Å; K172-L284 PolarHBondContact NZ-O 3.43Å; L281-L284 HydrophobicContact CD2-CD1 4.01Å; L281-L284 PolarHBondContact O-N 2.89Å; A282-L284 VanDerWaalsContact C-N 3.31Å; L284-V286 HydrophobicContact CB-CG1 4.42Å; L284-V286 HydrophobicContact CB-CG2 4Å; L284-V286 PolarHBondContact O-N 3.44Å |
| 285 | P | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -80.5 | 58.4 | 177.5 | 36.9 | -38 | 0 | 0 | 0 | 111.1 | W67 K71 Y173 V176 | W67-P285 HydrophobicContact CB-CG 4.07Å; W67-P285 HydrophobicContact CD2-CG 3.32Å; W67-P285 HydrophobicContact CE3-CG 3.81Å; W67-P285 HydrophobicContact CG-CG 3.44Å; W67-P285 VanDerWaalsContact CG-CG 3.44Å; W67-P285 HydrophobicContact CZ2-CG 4.2Å; W67-P285 HydrophobicContact CZ3-CG 4.42Å; K71-P285 HydrophobicContact CB-CB 4.35Å; K71-P285 VanDerWaalsContact CE-O 3.32Å; K71-P285 WeakPolarHBondContact CE-O 3.3Å; K71-P285 HydrophobicContact CG-CB 4.11Å; Y173-P285 HydrophobicContact CD1-CB 3.98Å; Y173-P285 HydrophobicContact CE1-CB 4.46Å; Y173-P285 VanDerWaalsContact CE1-O 3.3Å; Y173-P285 WeakPolarHBondContact CE1-O 3.34Å; V176-P285 HydrophobicContact CG1-CB 4.32Å |
| 286 | V | 96.7 | Very high | 95.4 | Very high | 44 Ų | 44 | 52 Ų | 52 | 27% | 0.267 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -112 | 147 | 172.4 | -64.1 | 0 | 0 | 0 | 0 | 109.8 | W67 K172 L281 L284 T288 | W67-V286 HydrophobicContact CH2-CG1 4.26Å; W67-V286 HydrophobicContact CZ2-CG1 4.1Å; K172-V286 WeakPolarHBondContact CE-O 3.11Å; K172-V286 PolarHBondContact NZ-O 2.85Å; L281-V286 HydrophobicContact CB-CG2 4.17Å; L281-V286 HydrophobicContact CD2-CG2 4.48Å; L284-V286 HydrophobicContact CB-CG1 4.42Å; L284-V286 HydrophobicContact CB-CG2 4Å; L284-V286 PolarHBondContact O-N 3.44Å; V286-T288 HydrophobicContact CG2-CG2 4.19Å; V286-T288 PolarHBondContact O-N 3.26Å |
| 287 | F | 95.7 | Very high | 95.4 | Very high | 98 Ų | 98 | 56.9 Ų | 56.9 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | trans | -70.3 | 123.4 | -179.4 | -172.3 | -106.8 | 0 | 0 | 0 | 110.3 | H169 Y173 T289 | H169-F287 AromaticContact CD2-CD2 3.83Å; H169-F287 AromaticContact CD2-CE2 3.56Å; Y173-F287 WeakPolarHBondContact OH-CA 3.39Å; Y173-F287 VanDerWaalsContact OH-CB 3.27Å; Y173-F287 WeakPolarHBondContact OH-CB 3.35Å; Y173-F287 PolarHBondContact OH-N 3.38Å; Y173-F287 VanDerWaalsContact OH-N 3.14Å; F287-T289 WeakPolarHBondContact CE1-O 3.31Å; F287-T289 VanDerWaalsContact CZ-O 3.26Å; F287-T289 WeakPolarHBondContact CZ-O 3.48Å | ||
| 288 | T | 96.8 | Very high | 95.5 | Very high | 26 Ų | 26 | 54.2 Ų | 54.2 | 16% | 0.16 | 29% | 0.292 | C | S | . | . | trans | -143.2 | 0.4 | 175.5 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | K172 F275 G276 L281 V286 P290 | K172-T288 WeakPolarHBondContact CD-OG1 3.39Å; K172-T288 PolarHBondContact NZ-OG1 3.44Å; F275-T288 WeakPolarHBondContact O-CB 3.31Å; F275-T288 PolarHBondContact O-OG1 3.17Å; G276-T288 VanDerWaalsContact CA-O 3.27Å; G276-T288 WeakPolarHBondContact CA-O 3.38Å; L281-T288 HydrophobicContact CB-CG2 4.02Å; L281-T288 HydrophobicContact CD1-CG2 4Å; V286-T288 HydrophobicContact CG2-CG2 4.19Å; V286-T288 PolarHBondContact O-N 3.26Å; T288-P290 WeakPolarHBondContact O-CD 3.4Å | ||
| 289 | T | 96.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | trans | -62 | 121.4 | -179.8 | -50.9 | 0 | 0 | 0 | 0 | 109.5 | F168 E273 T274 F287 | F168-T289 HydrophobicContact CD2-CG2 4.28Å; F168-T289 HydrophobicContact CE2-CG2 3.73Å; F168-T289 HydrophobicContact CZ-CG2 4.14Å; E273-T289 WeakPolarHBondContact O-CG2 3.22Å; T274-T289 PolarHBondContact O-OG1 2.93Å; F287-T289 WeakPolarHBondContact CE1-O 3.31Å; F287-T289 VanDerWaalsContact CZ-O 3.26Å; F287-T289 WeakPolarHBondContact CZ-O 3.48Å | ||
| 290 | P | 96.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | trans | -75.6 | 160.3 | 179.6 | 31.8 | -34.6 | 0 | 0 | 0 | 111.8 | F168 R272 T288 | F168-P290 WeakPolarHBondContact CE2-O 3.34Å; F168-P290 WeakPolarHBondContact CZ-O 3.36Å; R272-P290 VanDerWaalsContact O-CD 3.29Å; R272-P290 WeakPolarHBondContact O-CD 3.48Å; R272-P290 WeakPolarHBondContact O-CG 3.38Å; T288-P290 WeakPolarHBondContact O-CD 3.4Å | ||
| 291 | G | 95.4 | Very high | 94.8 | Very high | 63 Ų | 63 | 50.6 Ų | 50.6 | 65% | 0.649 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 90.8 | -177.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F168 | F168-G291 WeakPolarHBondContact CZ-O 3.44Š|
| 292 | D | 95.9 | Very high | 93.7 | Very high | 77 Ų | 77 | 50.8 Ų | 50.8 | 41% | 0.412 | 27% | 0.272 | S | S | . | . | trans | -109.9 | -4.4 | -177 | 58.6 | 9.9 | 0 | 0 | 0 | 113.2 | V294 N295 | D292-V294 VanDerWaalsContact C-N 3.32Å; D292-V294 HydrophobicContact CB-CG2 4.37Å; D292-V294 VanDerWaalsContact OD1-CG2 3.31Å; D292-V294 WeakPolarHBondContact OD1-CG2 3.43Å; D292-V294 PolarHBondContact OD1-N 3.21Å; D292-V294 WeakPolarHBondContact OD2-CG2 3.36Å; D292-N295 PolarHBondContact OD1-N 2.94Å; D292-N295 PolarHBondContact OD2-ND2 2.99Å | ||
| 293 | G | 96.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 79.2 | 8.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | W296 | G293-W296 VanDerWaalsContact C-CZ2 3.46Å; G293-W296 WeakPolarHBondContact O-CZ2 3.17Å |
| 294 | V | 97.7 | Very high | 91.7 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -124.8 | -32.3 | 174.3 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | P81 F84 P139 L153 D292 | P81-V294 HydrophobicContact CG-CG1 4.22Å; F84-V294 HydrophobicContact CE2-CB 4.34Å; F84-V294 HydrophobicContact CE2-CG1 3.93Å; F84-V294 HydrophobicContact CZ-CB 4.2Å; F84-V294 HydrophobicContact CZ-CG1 4.16Å; P139-V294 HydrophobicContact CB-CG1 4.02Å; P139-V294 HydrophobicContact CG-CG1 4.21Å; L153-V294 HydrophobicContact CD1-CG1 3.99Å; L153-V294 HydrophobicContact CD2-CG1 3.73Å; D292-V294 VanDerWaalsContact C-N 3.32Å; D292-V294 HydrophobicContact CB-CG2 4.37Å; D292-V294 VanDerWaalsContact OD1-CG2 3.31Å; D292-V294 WeakPolarHBondContact OD1-CG2 3.43Å; D292-V294 PolarHBondContact OD1-N 3.21Å; D292-V294 WeakPolarHBondContact OD2-CG2 3.36Å |
| 295 | N | 96.9 | Very high | 90.3 | Very high | 93 Ų | 93 | 55 Ų | 55 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | trans | -93.1 | 125.9 | 174.1 | -70.5 | -67.5 | 0 | 0 | 0 | 110.1 | P118 D292 | P118-N295 WeakPolarHBondContact CB-OD1 3.38Å; D292-N295 PolarHBondContact OD1-N 2.94Å; D292-N295 PolarHBondContact OD2-ND2 2.99Å | ||
| 296 | W | 95.9 | Very high | 89.1 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 10% | 0.098 | 31% | 0.307 | C | S | . | . | trans | -125.4 | 146.8 | -175.4 | -56.3 | 106.3 | 0 | 0 | 0 | 111.2 | D140 R141 K154 F168 F263 G293 Y298 | D140-W296 PolarHBondContact O-NE1 2.96Å; R141-W296 HydrophobicContact CB-CZ2 4.25Å; R141-W296 HydrophobicContact CG-CD2 4.35Å; R141-W296 HydrophobicContact CG-CG 4.42Å; R141-W296 HydrophobicContact CG-CZ2 4.49Å; K154-W296 HydrophobicContact CB-CH2 3.65Å; K154-W296 HydrophobicContact CB-CZ2 3.84Å; K154-W296 HydrophobicContact CD-CH2 3.61Å; K154-W296 HydrophobicContact CD-CZ2 4.48Å; K154-W296 HydrophobicContact CD-CZ3 3.93Å; K154-W296 HydrophobicContact CG-CH2 3.88Å; K154-W296 HydrophobicContact CG-CZ2 4.29Å; F168-W296 AromaticContact CD2-CH2 3.68Å; F168-W296 HydrophobicContact CD2-CH2 3.68Å; F168-W296 HydrophobicContact CD2-CZ3 4.24Å; F168-W296 HydrophobicContact CE2-CH2 4.1Å; F168-W296 HydrophobicContact CE2-CZ3 4.3Å; F263-W296 HydrophobicContact CD1-CB 4.38Å; F263-W296 HydrophobicContact CE1-CB 3.87Å; F263-W296 HydrophobicContact CE1-CG 4.31Å; G293-W296 VanDerWaalsContact C-CZ2 3.46Å; G293-W296 WeakPolarHBondContact O-CZ2 3.17Å; W296-Y298 HydrophobicContact CB-CE2 4.31Å; W296-Y298 WeakPolarHBondContact O-CD2 3.46Å; W296-Y298 WeakPolarHBondContact O-CE2 3.43Å | ||
| 297 | R | 95.4 | Very high | 87.8 | Confident | 105 Ų | 105 | 60 Ų | 60 | 40% | 0.396 | 32% | 0.315 | S | S | . | . | trans | -82.4 | 128 | 169 | -67.1 | -167.4 | -72.3 | 166 | -1.7 | 109.5 | L265 E269 E273 | L265-R297 HydrophobicContact CD1-CB 3.65Å; L265-R297 HydrophobicContact CD1-CG 4.47Å; L265-R297 HydrophobicContact CD2-CB 4.23Å; E269-R297 IonicContact OE2-CZ 2.99Å; E269-R297 IonicContact OE2-NH1 2.87Å; E269-R297 PolarHBondContact OE2-NH1 2.93Å; E269-R297 VanDerWaalsContact OE2-NH1 3.13Å; E269-R297 IonicContact OE2-NH2 2.78Å; E269-R297 PolarHBondContact OE2-NH2 2.79Å; E269-R297 VanDerWaalsContact OE2-NH2 3.16Å; E273-R297 IonicContact OE1-CZ 3.66Å; E273-R297 VanDerWaalsContact OE1-CZ 3.25Å; E273-R297 IonicContact OE1-NE 2.69Å; E273-R297 PolarHBondContact OE1-NE 3.42Å; E273-R297 IonicContact OE1-NH2 3.18Å; E273-R297 PolarHBondContact OE1-NH2 3.04Å | ||
| 298 | Y | 94.6 | Very high | 86.4 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | trans | -102 | 142.8 | 174.3 | -61.7 | -87.3 | 0 | 0 | 0 | 110.2 | Y120 L121 D140 L253 L262 F263 W296 V300 D301 | Y120-Y298 AromaticContact CD2-CE2 3.81Å; Y120-Y298 HydrophobicContact CD2-CE2 3.81Å; Y120-Y298 HydrophobicContact CE2-CE2 4.41Å; Y120-Y298 HydrophobicContact CG-CE2 4.39Å; L121-Y298 HydrophobicContact CD2-CE1 4.23Å; D140-Y298 PolarHBondContact OD2-OH 3.46Å; L253-Y298 HydrophobicContact CD2-CD1 4.18Å; L253-Y298 HydrophobicContact CD2-CE1 4.15Å; L262-Y298 HydrophobicContact CD1-CD1 4Å; L262-Y298 HydrophobicContact CD2-CD1 4.21Å; L262-Y298 HydrophobicContact CD2-CE1 4.25Å; L262-Y298 HydrophobicContact CG-CD1 3.9Å; L262-Y298 HydrophobicContact CG-CE1 4.4Å; F263-Y298 HydrophobicContact CD1-CD1 4.25Å; F263-Y298 HydrophobicContact CD1-CE1 4.25Å; F263-Y298 AromaticContact CE1-CD1 3.74Å; F263-Y298 HydrophobicContact CE1-CD1 3.74Å; F263-Y298 AromaticContact CE1-CE1 3.32Å; F263-Y298 HydrophobicContact CE1-CE1 3.32Å; F263-Y298 AromaticContact CE1-CZ 3.91Å; F263-Y298 HydrophobicContact CZ-CD1 4.41Å; F263-Y298 AromaticContact CZ-CE1 3.74Å; F263-Y298 HydrophobicContact CZ-CE1 3.74Å; W296-Y298 HydrophobicContact CB-CE2 4.31Å; W296-Y298 WeakPolarHBondContact O-CD2 3.46Å; W296-Y298 WeakPolarHBondContact O-CE2 3.43Å; Y298-V300 PolarHBondContact O-N 2.85Å; Y298-D301 PolarHBondContact O-N 3.28Å | ||
| 299 | R | 93.6 | Very high | 84.7 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.4 | -38.4 | 174.6 | -179.3 | 179 | 61.1 | 131.7 | 1.7 | 112 | D259 T261 L262 D301 Q302 D303 | D259-R299 IonicContact OD1-NH2 3.66Å; D259-R299 IonicContact OD2-CZ 3.16Å; D259-R299 IonicContact OD2-NH2 3.13Å; D259-R299 PolarHBondContact OD2-NH2 3.44Å; T261-R299 WeakPolarHBondContact O-CD 3.27Å; T261-R299 PolarHBondContact O-NE 3.37Å; T261-R299 PolarHBondContact OG1-NE 2.86Å; T261-R299 PolarHBondContact OG1-NH1 2.97Å; T261-R299 PolarHBondContact OG1-NH2 3.21Å; L262-R299 WeakPolarHBondContact O-CB 3.4Å; L262-R299 PolarHBondContact O-N 3.49Å; R299-D301 VanDerWaalsContact C-N 3.27Å; R299-D301 PolarHBondContact O-N 2.96Å; R299-Q302 WeakPolarHBondContact O-CA 3.46Å; R299-Q302 WeakPolarHBondContact O-CB 3.32Å; R299-Q302 PolarHBondContact O-N 3.2Å; R299-D303 PolarHBondContact O-N 3.45Å |
| 300 | V | 85.6 | Confident | 82.7 | Confident | 55 Ų | 55 | 70.4 Ų | 70.4 | 33% | 0.333 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.4 | -35.8 | -179.2 | -167.9 | 0 | 0 | 0 | 0 | 112 | L253 L262 Y298 Q302 D303 L304 | L253-V300 HydrophobicContact CD1-CG2 4.22Å; L262-V300 HydrophobicContact CD1-CG2 4.27Å; Y298-V300 PolarHBondContact O-N 2.85Å; V300-Q302 VanDerWaalsContact C-N 3.3Å; V300-Q302 PolarHBondContact O-N 3.06Å; V300-D303 PolarHBondContact O-N 3.43Å; V300-L304 HydrophobicContact CG1-CD1 4.44Å; V300-L304 WeakPolarHBondContact O-CG 3.39Å; V300-L304 PolarHBondContact O-N 2.95Å |
| 301 | D | 80.7 | Confident | 80.7 | Confident | 75 Ų | 75 | 71.8 Ų | 71.8 | 40% | 0.401 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 176.3 | -61 | -30.5 | 0 | 0 | 0 | 111.1 | Y298 R299 Q305 | Y298-D301 PolarHBondContact O-N 3.28Å; R299-D301 VanDerWaalsContact C-N 3.27Å; R299-D301 PolarHBondContact O-N 2.96Å; D301-Q305 WeakPolarHBondContact O-CB 3.49Å; D301-Q305 VanDerWaalsContact O-CG 3.22Å; D301-Q305 WeakPolarHBondContact O-CG 3.49Å; D301-Q305 PolarHBondContact O-N 2.86Å |
| 302 | Q | 72.3 | Confident | 78.1 | Confident | 67 Ų | 67 | 71.2 Ų | 71.2 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.3 | -41.5 | 176.5 | -169.9 | 176.7 | -0.7 | 0 | 0 | 111.4 | R299 V300 L304 Q305 N306 | R299-Q302 WeakPolarHBondContact O-CA 3.46Å; R299-Q302 WeakPolarHBondContact O-CB 3.32Å; R299-Q302 PolarHBondContact O-N 3.2Å; V300-Q302 VanDerWaalsContact C-N 3.3Å; V300-Q302 PolarHBondContact O-N 3.06Å; Q302-L304 VanDerWaalsContact C-N 3.34Å; Q302-L304 PolarHBondContact O-N 2.66Å; Q302-Q305 PolarHBondContact O-N 3.22Å; Q302-N306 WeakPolarHBondContact O-CB 3.33Å; Q302-N306 PolarHBondContact O-N 3.49Å; Q302-N306 PolarHBondContact O-ND2 2.94Å |
| 303 | D | 74.7 | Confident | 75.7 | Confident | 69 Ų | 69 | 76.3 Ų | 76.3 | 37% | 0.369 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 176 | -66 | -24.4 | 0 | 0 | 0 | 111.2 | R299 V300 N306 N307 | R299-D303 PolarHBondContact O-N 3.45Å; V300-D303 PolarHBondContact O-N 3.43Å; D303-N306 PolarHBondContact O-N 3.35Å; D303-N307 VanDerWaalsContact O-CB 3.32Å; D303-N307 WeakPolarHBondContact O-CB 3.41Å; D303-N307 PolarHBondContact O-N 3.31Å; D303-N307 PolarHBondContact O-ND2 3.23Å; D303-N307 VanDerWaalsContact O-ND2 3.08Å |
| 304 | L | 73.4 | Confident | 72.5 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 36% | 0.361 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 175.2 | -71.7 | 171.3 | 0 | 0 | 0 | 112.2 | V300 Q302 N308 | V300-L304 HydrophobicContact CG1-CD1 4.44Å; V300-L304 WeakPolarHBondContact O-CG 3.39Å; V300-L304 PolarHBondContact O-N 2.95Å; Q302-L304 VanDerWaalsContact C-N 3.34Å; Q302-L304 PolarHBondContact O-N 2.66Å; L304-N308 WeakPolarHBondContact O-CB 3.46Å; L304-N308 PolarHBondContact O-N 3.39Å; L304-N308 PolarHBondContact O-ND2 3.2Å |
| 305 | Q | 68.8 | Low | 69.3 | Low | 122 Ų | 122 | 88.1 Ų | 88.1 | 57% | 0.57 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64.3 | -45 | 175.6 | -73.9 | 169.8 | 17.5 | 0 | 0 | 111.8 | D301 Q302 N308 L309 | D301-Q305 WeakPolarHBondContact O-CB 3.49Å; D301-Q305 VanDerWaalsContact O-CG 3.22Å; D301-Q305 WeakPolarHBondContact O-CG 3.49Å; D301-Q305 PolarHBondContact O-N 2.86Å; Q302-Q305 PolarHBondContact O-N 3.22Å; Q305-N308 PolarHBondContact O-N 2.98Å; Q305-L309 VanDerWaalsContact O-CG 3.28Å; Q305-L309 WeakPolarHBondContact O-CG 3.46Å; Q305-L309 PolarHBondContact O-N 3.24Å |
| 306 | N | 70.9 | Confident | 66.1 | Low | 68 Ų | 68 | 88.9 Ų | 88.9 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 177.8 | -69.6 | -16.8 | 0 | 0 | 0 | 111.4 | Q302 D303 N308 L309 E310 | Q302-N306 WeakPolarHBondContact O-CB 3.33Å; Q302-N306 PolarHBondContact O-N 3.49Å; Q302-N306 PolarHBondContact O-ND2 2.94Å; D303-N306 PolarHBondContact O-N 3.35Å; N306-N308 VanDerWaalsContact C-N 3.31Å; N306-N308 PolarHBondContact O-N 3.46Å; N306-L309 PolarHBondContact O-N 3.43Å; N306-L309 VanDerWaalsContact O-N 3.1Å; N306-E310 WeakPolarHBondContact O-CG 3.23Å; N306-E310 PolarHBondContact O-N 3.24Å |
| 307 | N | 69.8 | Low | 63.2 | Low | 82 Ų | 82 | 92.9 Ų | 92.9 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 175.7 | -71.8 | -28.9 | 0 | 0 | 0 | 111.7 | D303 L309 E310 V311 | D303-N307 VanDerWaalsContact O-CB 3.32Å; D303-N307 WeakPolarHBondContact O-CB 3.41Å; D303-N307 PolarHBondContact O-N 3.31Å; D303-N307 PolarHBondContact O-ND2 3.23Å; D303-N307 VanDerWaalsContact O-ND2 3.08Å; N307-L309 VanDerWaalsContact C-N 3.3Å; N307-L309 PolarHBondContact O-N 2.98Å; N307-E310 PolarHBondContact O-N 3.33Å; N307-V311 VanDerWaalsContact O-CB 3.29Å; N307-V311 WeakPolarHBondContact O-CB 3.1Å; N307-V311 WeakPolarHBondContact O-CG2 3.47Å; N307-V311 PolarHBondContact O-N 3.05Å |
| 308 | N | 67.1 | Low | 60.3 | Low | 79 Ų | 79 | 94.2 Ų | 94.2 | 42% | 0.422 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68 | -28.5 | 175.8 | -72.2 | -21.5 | 0 | 0 | 0 | 112.7 | L304 Q305 N306 G312 | L304-N308 WeakPolarHBondContact O-CB 3.46Å; L304-N308 PolarHBondContact O-N 3.39Å; L304-N308 PolarHBondContact O-ND2 3.2Å; Q305-N308 PolarHBondContact O-N 2.98Å; N306-N308 VanDerWaalsContact C-N 3.31Å; N306-N308 PolarHBondContact O-N 3.46Å; N308-G312 VanDerWaalsContact O-CA 3.26Å; N308-G312 WeakPolarHBondContact O-CA 3.39Å; N308-G312 PolarHBondContact O-N 3.28Å |
| 309 | L | 61.4 | Low | 57.3 | Low | 126 Ų | 126 | 97.4 Ų | 97.4 | 66% | 0.66 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -76.9 | -39 | 173.7 | -70.1 | 169.1 | 0 | 0 | 0 | 111.9 | Q305 N306 N307 G312 | Q305-L309 VanDerWaalsContact O-CG 3.28Å; Q305-L309 WeakPolarHBondContact O-CG 3.46Å; Q305-L309 PolarHBondContact O-N 3.24Å; N306-L309 PolarHBondContact O-N 3.43Å; N306-L309 VanDerWaalsContact O-N 3.1Å; N307-L309 VanDerWaalsContact C-N 3.3Å; N307-L309 PolarHBondContact O-N 2.98Å; L309-G312 PolarHBondContact O-N 3.47Å |
| 310 | E | 54.6 | Low | 54.4 | Low | 146 Ų | 146 | 101.1 Ų | 101.1 | 68% | 0.682 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.2 | -43 | 174.9 | -72.9 | 180 | 179.9 | 0 | 0 | 111.7 | N306 N307 G312 | N306-E310 WeakPolarHBondContact O-CG 3.23Å; N306-E310 PolarHBondContact O-N 3.24Å; N307-E310 PolarHBondContact O-N 3.33Å; E310-G312 VanDerWaalsContact C-N 3.26Å; E310-G312 PolarHBondContact O-N 3.34Å |
| 311 | V | 54.1 | Low | 52.4 | Low | 86 Ų | 86 | 104.3 Ų | 104.3 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -73.9 | -20.7 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | N307 H313 T314 | N307-V311 VanDerWaalsContact O-CB 3.29Å; N307-V311 WeakPolarHBondContact O-CB 3.1Å; N307-V311 WeakPolarHBondContact O-CG2 3.47Å; N307-V311 PolarHBondContact O-N 3.05Å; V311-H313 PolarHBondContact O-N 2.89Å; V311-T314 CarbonylContact O-C 3.6Å; V311-T314 WeakPolarHBondContact O-CA 3.4Å; V311-T314 PolarHBondContact O-N 2.69Å; V311-T314 PolarHBondContact O-OG1 2.83Å |
| 312 | G | 39.8 | Very low | 50.2 | Low | 52 Ų | 52 | 103.3 Ų | 103.3 | 54% | 0.536 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.4 | -1.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | N308 L309 E310 | N308-G312 VanDerWaalsContact O-CA 3.26Å; N308-G312 WeakPolarHBondContact O-CA 3.39Å; N308-G312 PolarHBondContact O-N 3.28Å; L309-G312 PolarHBondContact O-N 3.47Å; E310-G312 VanDerWaalsContact C-N 3.26Å; E310-G312 PolarHBondContact O-N 3.34Å |
| 313 | H | 46 | Very low | 48.2 | Very low | 183 Ų | 183 | 107 Ų | 107 | 85% | 0.847 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 1.1 | 157.4 | -87.7 | -63 | 0 | 0 | 0 | 113.9 | V311 | V311-H313 PolarHBondContact O-N 2.89Š|
| 314 | T | 29.6 | Very low | 46.6 | Very low | 98 Ų | 98 | 110.8 Ų | 110.8 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -141.6 | 106.4 | 169.1 | 44.9 | 0 | 0 | 0 | 0 | 110.1 | V311 | V311-T314 CarbonylContact O-C 3.6Å; V311-T314 WeakPolarHBondContact O-CA 3.4Å; V311-T314 PolarHBondContact O-N 2.69Å; V311-T314 PolarHBondContact O-OG1 2.83Å |
| 315 | N | 29.4 | Very low | 44.9 | Very low | 158 Ų | 158 | 111.9 Ų | 111.9 | 85% | 0.845 | 63% | 0.626 | S | S | * | * | trans | 23.5 | 130.6 | 163.4 | -73.9 | -14.2 | 0 | 0 | 0 | 121.9 | ||||
| 316 | S | 30.8 | Very low | 43.2 | Very low | 110 Ų | 110 | 110.9 Ų | 110.9 | 77% | 0.769 | 62% | 0.624 | S | S | * | * | trans | 82.6 | 108.3 | 143.1 | -78 | 0 | 0 | 0 | 0 | 120.1 | V318 | S316-V318 PolarHBondContact O-N 3.33Š| ||
| 317 | S | 35 | Very low | 41.3 | Very low | 110 Ų | 110 | 114.5 Ų | 114.5 | 77% | 0.769 | 64% | 0.644 | S | S | * | * | trans | -18 | 115.7 | 136.6 | 53.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 318 | V | 34.2 | Very low | 39.6 | Very low | 133 Ų | 133 | 118.1 Ų | 118.1 | 81% | 0.806 | 66% | 0.663 | S | S | * | * | trans | 160.9 | 80.8 | 144.3 | 166.6 | 0 | 0 | 0 | 0 | 106.6 | S316 | S316-V318 PolarHBondContact O-N 3.33Š| ||
| 319 | L | 31.9 | Very low | 38.2 | Very low | 79 Ų | 79 | 118.7 Ų | 118.7 | 41% | 0.414 | 67% | 0.673 | S | S | . | * | trans | -161.9 | 44.2 | 164.9 | -124.2 | 131.3 | 0 | 0 | 0 | 112.5 | K323 | L319-K323 HydrophobicContact CD2-CD 3.62Å; L319-K323 HydrophobicContact CD2-CG 3.9Å | ||
| 320 | L | 33.4 | Very low | 36.9 | Very low | 157 Ų | 157 | 117 Ų | 117 | 82% | 0.822 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -97.1 | 131.6 | 158.8 | -82 | 151.7 | 0 | 0 | 0 | 106.7 | S322 | L320-S322 PolarHBondContact O-N 3.03Š|
| 321 | T | 42.3 | Very low | 35.8 | Very low | 122 Ų | 122 | 118 Ų | 118 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 73.4 | -6.7 | 170 | 58.7 | 0 | 0 | 0 | 0 | 122.4 | ||
| 322 | S | 34.2 | Very low | 34.6 | Very low | 53 Ų | 53 | 124.8 Ų | 124.8 | 37% | 0.371 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -84.3 | -20.2 | 176.4 | 66.8 | 0 | 0 | 0 | 0 | 116.1 | L320 I324 T325 N326 | L320-S322 PolarHBondContact O-N 3.03Å; S322-I324 PolarHBondContact O-N 3.19Å; S322-T325 PolarHBondContact O-N 3.12Å; S322-T325 PolarHBondContact O-OG1 3.24Å; S322-T325 VanDerWaalsContact O-OG1 3.11Å; S322-N326 PolarHBondContact O-N 3.47Å |
| 323 | K | 31.6 | Very low | 34.2 | Very low | 144 Ų | 144 | 129.5 Ų | 129.5 | 63% | 0.626 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -78.6 | -15.6 | -178.7 | -87.6 | -176.3 | 177.9 | 174.8 | 0 | 114.8 | L319 | L319-K323 HydrophobicContact CD2-CD 3.62Å; L319-K323 HydrophobicContact CD2-CG 3.9Å |
| 324 | I | 40.8 | Very low | 33.9 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -84.3 | -26.9 | 174.1 | -60.7 | 178 | 0 | 0 | 0 | 110.6 | S322 | S322-I324 PolarHBondContact O-N 3.19Å |
| 325 | T | 36.3 | Very low | 34.1 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 56% | 0.558 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -87.6 | -26.3 | 178.4 | 46.9 | 0 | 0 | 0 | 0 | 114.2 | S322 N327 | S322-T325 PolarHBondContact O-N 3.12Å; S322-T325 PolarHBondContact O-OG1 3.24Å; S322-T325 VanDerWaalsContact O-OG1 3.11Å; T325-N327 PolarHBondContact O-N 3.23Å |
| 326 | N | 33 | Very low | 34.3 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 54% | 0.54 | 73% | 0.733 | S | S | . | * | G | 310 helix | trans | -84.2 | -5.5 | -171.5 | -81 | 8.3 | 0 | 0 | 0 | 116.5 | S322 N328 | S322-N326 PolarHBondContact O-N 3.47Å; N326-N328 VanDerWaalsContact C-N 3.31Å |
| 327 | N | 31.7 | Very low | 34.5 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -84.4 | -0.9 | 173 | -88.2 | 4.4 | 0 | 0 | 0 | 114.5 | T325 | T325-N327 PolarHBondContact O-N 3.23Š|
| 328 | N | 35.4 | Very low | 34.5 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -107.1 | 12 | 177.4 | -82.1 | -12.8 | 0 | 0 | 0 | 114.5 | N326 | N326-N328 VanDerWaalsContact C-N 3.31Š|
| 329 | S | 36.6 | Very low | 34.5 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -137.7 | 57.9 | 177.4 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 330 | S | 34 | Very low | 34.7 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -150.6 | 78.2 | 160.9 | 65.5 | 0 | 0 | 0 | 0 | 109.8 | ||
| 331 | N | 31.9 | Very low | 34.8 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 89% | 0.888 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 176.1 | 66.1 | 153.7 | -93 | -12.6 | 0 | 0 | 0 | 108.9 | ||
| 332 | R | 29.6 | Very low | 34.2 | Very low | 228 Ų | 228 | 141.9 Ų | 141.9 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -146.7 | 130.1 | 152 | -67.9 | -166.8 | -166.9 | 177 | 5.3 | 107.2 | ||
| 333 | D | 31.4 | Very low | 34.2 | Very low | 152 Ų | 152 | 149.3 Ų | 149.3 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | 84.2 | 76.7 | 159.8 | -43.3 | -28 | 0 | 0 | 0 | 116.5 | ||||
| 334 | E | 37.9 | Very low | 34.4 | Very low | 275 Ų | 275 | 149.8 Ų | 149.8 | 100% | 1.285 | 78% | 0.783 | S | S | * | * | -155.1 | 0 | 120 | -96.6 | 175.9 | -164.2 | 0 | 0 | 107.7 |
Retrieved 334 of 334 residues in 68.9 ms
(Link to these results)