| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.3 | Very low | 46.8 | Very low | 244 Ų | 244 | 151.4 Ų | 151.4 | 100% | 1.202 | 88% | 0.878 | S | S | * | * | 0 | 107.7 | 0 | -76.1 | 174.8 | 169.6 | 0 | 0 | 107.9 | |||||
| 2 | A | 38.7 | Very low | 50.1 | Low | 107 Ų | 107 | 143.3 Ų | 143.3 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | trans | -82.3 | 115.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | A4 | A2-A4 PolarHBondContact O-N 3.27Š| ||
| 3 | T | 41.8 | Very low | 53.5 | Low | 137 Ų | 137 | 135.3 Ų | 135.3 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -71.9 | 111.5 | 173.7 | 47.4 | 0 | 0 | 0 | 0 | 109.2 | K5 | T3-K5 PolarHBondContact O-N 3.38Š| ||
| 4 | A | 45.6 | Very low | 56.5 | Low | 100 Ų | 100 | 128.9 Ų | 128.9 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 125.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | A2 | A2-A4 PolarHBondContact O-N 3.27Š|
| 5 | K | 39.8 | Very low | 59.3 | Low | 194 Ų | 194 | 120.5 Ų | 120.5 | 84% | 0.843 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 139.7 | 168.7 | -74.2 | -177.8 | 176.2 | -179.4 | 0 | 109.5 | T3 | T3-K5 PolarHBondContact O-N 3.38Š|
| 6 | P | 42.4 | Very low | 61.7 | Low | 128 Ų | 128 | 117.8 Ų | 117.8 | 83% | 0.831 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.2 | -180 | 28 | -31.5 | 0 | 0 | 0 | 110.4 | ||
| 7 | K | 44.6 | Very low | 63.8 | Low | 215 Ų | 215 | 110.8 Ų | 110.8 | 94% | 0.935 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 123.3 | 175.3 | -74.2 | 179.2 | 175.9 | 176.8 | 0 | 109.8 | ||
| 8 | G | 45 | Very low | 65.7 | Low | 73 Ų | 73 | 105.1 Ų | 105.1 | 75% | 0.753 | 61% | 0.605 | S | S | * | * | trans | 75.5 | 82.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | N10 | G8-N10 PolarHBondContact O-N 3.22Š| ||
| 9 | Q | 45.8 | Very low | 67.3 | Low | 196 Ų | 196 | 99.5 Ų | 99.5 | 92% | 0.916 | 57% | 0.573 | S | S | * | * | trans | -66 | 112.1 | 148.1 | -86.5 | 175.2 | -12.4 | 0 | 0 | 106.9 | S11 | Q9-S11 VanDerWaalsContact C-N 3.33Å; Q9-S11 PolarHBondContact O-N 2.93Å | ||
| 10 | N | 54.5 | Low | 68.7 | Low | 164 Ų | 164 | 94.6 Ų | 94.6 | 88% | 0.877 | 55% | 0.545 | S | S | * | . | trans | -66.4 | 98.1 | 170.8 | -139.3 | 20.3 | 0 | 0 | 0 | 106.2 | G8 L12 | G8-N10 PolarHBondContact O-N 3.22Å; N10-L12 PolarHBondContact O-N 3.3Å | ||
| 11 | S | 78.1 | Confident | 70 | Confident | 107 Ų | 107 | 90.1 Ų | 90.1 | 75% | 0.748 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 124.2 | 178.6 | 56.7 | 0 | 0 | 0 | 0 | 108.2 | Q9 | Q9-S11 VanDerWaalsContact C-N 3.33Å; Q9-S11 PolarHBondContact O-N 2.93Å |
| 12 | L | 86.9 | Confident | 72.6 | Confident | 55 Ų | 55 | 79.7 Ų | 79.7 | 29% | 0.288 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 141.8 | 174.7 | -62.7 | 172.7 | 0 | 0 | 0 | 110 | N10 L14 K54 E61 | N10-L12 PolarHBondContact O-N 3.3Å; L12-L14 PolarHBondContact O-N 2.93Å; L12-K54 HydrophobicContact CD1-CD 4.14Å; L12-K54 VanDerWaalsContact CD1-CE 3.46Å; L12-K54 HydrophobicContact CD1-CG 4.27Å; L12-E61 HydrophobicContact CD1-CG 4.21Å; L12-E61 HydrophobicContact CD2-CB 4.03Å; L12-E61 HydrophobicContact CD2-CG 3.93Å; L12-E61 WeakPolarHBondContact CD2-O 3.49Å |
| 13 | A | 93.8 | Very high | 75.1 | Confident | 39 Ų | 39 | 76.1 Ų | 76.1 | 32% | 0.322 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 126.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V62 Q63 | A13-V62 HydrophobicContact CB-CB 4.47Å; A13-V62 HydrophobicContact CB-CG1 4.09Å; A13-Q63 PolarHBondContact O-N 2.79Å |
| 14 | L | 96.4 | Very high | 77.4 | Confident | 46 Ų | 46 | 72.5 Ų | 72.5 | 24% | 0.241 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.1 | 176.8 | -174.5 | 66.5 | 0 | 0 | 0 | 109.2 | L12 K16 Q63 D65 K179 | L12-L14 PolarHBondContact O-N 2.93Å; L14-K16 HydrophobicContact CD2-CG 4.48Å; L14-K16 HydrophobicContact CG-CG 4.49Å; L14-Q63 CarbonylContact C-O 3.49Å; L14-Q63 VanDerWaalsContact CA-O 3.3Å; L14-Q63 WeakPolarHBondContact CA-O 3.5Å; L14-Q63 HydrophobicContact CD1-CB 3.91Å; L14-Q63 HydrophobicContact CD1-CG 3.77Å; L14-D65 HydrophobicContact CD1-CB 3.93Å; L14-D65 HydrophobicContact CG-CB 4.47Å; L14-K179 PolarHBondContact O-NZ 3Å |
| 15 | H | 97.7 | Very high | 79.8 | Confident | 3 Ų | 3 | 67.8 Ų | 67.8 | 1% | 0.014 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115.3 | 174.6 | -65.6 | -60.9 | 0 | 0 | 0 | 110 | Q63 I64 D65 E87 M172 I175 | H15-Q63 PolarHBondContact N-O 2.74Å; H15-I64 WeakPolarHBondContact O-CA 3.4Å; H15-D65 PolarHBondContact O-N 2.93Å; H15-E87 WeakPolarHBondContact CA-OE2 3.5Å; H15-M172 HydrophobicContact CB-CG 3.99Å; H15-M172 HydrophobicContact CB-SD 4.41Å; H15-I175 HydrophobicContact CB-CD1 4.37Å; H15-I175 VanDerWaalsContact ND1-CG2 3.31Å; H15-I175 WeakPolarHBondContact ND1-CG2 3.3Å |
| 16 | K | 97.8 | Very high | 82.4 | Confident | 76 Ų | 76 | 59.2 Ų | 59.2 | 33% | 0.33 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 109 | -178.6 | -61.3 | 179 | 179 | -176.9 | 0 | 111 | L14 D65 S85 E87 G88 | L14-K16 HydrophobicContact CD2-CG 4.48Å; L14-K16 HydrophobicContact CG-CG 4.49Å; K16-D65 CarbonylContact C-O 3.59Å; K16-D65 WeakPolarHBondContact CA-O 3.25Å; K16-D65 HydrophobicContact CG-CB 4.43Å; K16-S85 VanDerWaalsContact CD-O 3.32Å; K16-S85 WeakPolarHBondContact CD-O 3.41Å; K16-E87 HydrophobicContact CB-CB 4.3Å; K16-E87 HydrophobicContact CB-CG 4.04Å; K16-E87 HydrophobicContact CG-CG 4.5Å; K16-E87 PolarHBondContact N-OE2 3.26Å; K16-E87 WeakPolarHBondContact O-CA 3.37Å; K16-E87 WeakPolarHBondContact O-CB 3.24Å; K16-E87 PolarHBondContact O-N 2.81Å; K16-G88 PolarHBondContact O-N 3.41Å; K16-G88 VanDerWaalsContact O-N 3.09Å |
| 17 | V | 98.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 133.5 | 178.7 | 173 | 0 | 0 | 0 | 0 | 109.3 | M19 I64 D65 I66 L67 G88 L90 F168 L171 I175 | V17-M19 HydrophobicContact CG1-SD 4.37Å; V17-I64 HydrophobicContact CB-CD1 4.47Å; V17-I64 HydrophobicContact CG2-CD1 3.93Å; V17-I64 HydrophobicContact CG2-CG1 4.09Å; V17-D65 PolarHBondContact N-O 3.31Å; V17-I66 HydrophobicContact CB-CG1 4.48Å; V17-I66 CarbonylContact O-C 3.5Å; V17-I66 WeakPolarHBondContact O-CA 3.46Å; V17-L67 PolarHBondContact O-N 3.1Å; V17-G88 WeakPolarHBondContact CA-O 3.46Å; V17-L90 HydrophobicContact CG1-CD1 4.35Å; V17-L90 HydrophobicContact CG1-CG 4.13Å; V17-F168 HydrophobicContact CG1-CD1 4.41Å; V17-F168 HydrophobicContact CG1-CE1 4.4Å; V17-L171 HydrophobicContact CB-CD2 4.25Å; V17-L171 HydrophobicContact CG1-CD2 3.61Å; V17-L171 HydrophobicContact CG2-CD2 3.78Å; V17-L171 HydrophobicContact CG2-CG 4.43Å; V17-I175 HydrophobicContact CG2-CD1 4Å |
| 18 | I | 97.1 | Very high | 87.2 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.5 | 175 | -47.1 | -60.5 | 0 | 0 | 0 | 108.9 | V20 L67 T69 G88 F89 L90 | I18-V20 HydrophobicContact CG2-CG1 3.99Å; I18-L67 HydrophobicContact CD1-CB 3.63Å; I18-L67 HydrophobicContact CD1-CD2 3.87Å; I18-L67 HydrophobicContact CD1-CG 4.41Å; I18-L67 HydrophobicContact CG2-CD2 4.36Å; I18-T69 HydrophobicContact CG2-CG2 4.19Å; I18-G88 PolarHBondContact N-O 3.15Å; I18-F89 HydrophobicContact CB-CD1 3.79Å; I18-F89 HydrophobicContact CB-CE1 3.92Å; I18-F89 HydrophobicContact CG1-CD1 4.22Å; I18-F89 HydrophobicContact CG1-CE1 3.88Å; I18-F89 HydrophobicContact CG2-CD1 4.4Å; I18-F89 HydrophobicContact CG2-CE1 4.44Å; I18-F89 WeakPolarHBondContact O-CA 3.41Å; I18-L90 PolarHBondContact O-N 3.11Å |
| 19 | M | 96.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.2 | 172.1 | -53.4 | -60.3 | -73.7 | 0 | 0 | 109.1 | V17 K27 L30 I66 L67 T69 L90 V92 F168 | V17-M19 HydrophobicContact CG1-SD 4.37Å; M19-K27 HydrophobicContact CB-CB 4.09Å; M19-K27 HydrophobicContact CB-CD 4.25Å; M19-K27 HydrophobicContact CB-CG 4.39Å; M19-L30 HydrophobicContact CE-CB 4.2Å; M19-L30 HydrophobicContact CE-CD1 4.48Å; M19-I66 HydrophobicContact CG-CG2 3.68Å; M19-I66 HydrophobicContact SD-CG2 4Å; M19-L67 PolarHBondContact N-O 3.36Å; M19-T69 VanDerWaalsContact O-CG2 3.31Å; M19-T69 WeakPolarHBondContact O-CG2 3.42Å; M19-T69 PolarHBondContact O-OG1 3.4Å; M19-L90 HydrophobicContact CE-CB 4.29Å; M19-L90 HydrophobicContact CE-CD1 4.12Å; M19-L90 HydrophobicContact SD-CB 3.91Å; M19-L90 HydrophobicContact SD-CD1 3.79Å; M19-L90 HydrophobicContact SD-CG 4.26Å; M19-V92 HydrophobicContact CE-CG2 3.98Å; M19-F168 HydrophobicContact CE-CE1 4.36Å; M19-F168 HydrophobicContact CE-CZ 3.97Å; M19-F168 HydrophobicContact SD-CE1 3.75Å; M19-F168 HydrophobicContact SD-CZ 3.97Å |
| 20 | V | 95.4 | Very high | 92 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 156.6 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | I18 F83 F89 L90 C91 V92 F107 I111 | I18-V20 HydrophobicContact CG2-CG1 3.99Å; V20-F83 HydrophobicContact CG1-CE1 3.65Å; V20-F83 HydrophobicContact CG1-CZ 4.22Å; V20-F89 HydrophobicContact CG1-CD1 4.44Å; V20-L90 PolarHBondContact N-O 3.42Å; V20-C91 HydrophobicContact CG2-CB 3.86Å; V20-V92 PolarHBondContact O-N 3.06Å; V20-F107 HydrophobicContact CB-CD1 4.04Å; V20-F107 HydrophobicContact CB-CG 4.33Å; V20-F107 HydrophobicContact CG2-CB 4.2Å; V20-F107 HydrophobicContact CG2-CG 4.42Å; V20-I111 HydrophobicContact CG1-CD1 4.31Å; V20-I111 HydrophobicContact CG2-CD1 4.01Å |
| 21 | G | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | 140.1 | 160.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K27 G71 V92 F107 | G21-K27 PolarHBondContact O-NZ 2.81Å; G21-G71 WeakPolarHBondContact O-CA 3.41Å; G21-V92 VanDerWaalsContact CA-O 3.28Å; G21-V92 WeakPolarHBondContact CA-O 3.35Å; G21-F107 VanDerWaalsContact C-CE2 3.47Å; G21-F107 VanDerWaalsContact C-CZ 3.45Å; G21-F107 VanDerWaalsContact CA-CE2 3.43Å | ||
| 22 | S | 93.1 | Very high | 94.8 | Very high | 25 Ų | 25 | 19.9 Ų | 19.9 | 18% | 0.175 | 14% | 0.138 | C | C | . | . | trans | -57.3 | 165.2 | -179.5 | -55.8 | 0 | 0 | 0 | 0 | 112.8 | V25 K27 A103 | S22-V25 VanDerWaalsContact O-CG2 3.24Å; S22-V25 WeakPolarHBondContact O-CG2 3.41Å; S22-K27 PolarHBondContact O-NZ 3.24Å; S22-A103 WeakPolarHBondContact OG-CB 3.46Å | ||
| 23 | G | 91.1 | Very high | 95.2 | Very high | 33 Ų | 33 | 17.8 Ų | 17.8 | 34% | 0.34 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 145.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V25 | G23-V25 PolarHBondContact O-N 2.93Å; G23-V25 VanDerWaalsContact O-N 3.1Å |
| 24 | G | 91.2 | Very high | 95.4 | Very high | 61 Ų | 61 | 16 Ų | 16 | 63% | 0.629 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | -1.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | G26 K128 | G24-G26 PolarHBondContact O-N 2.88Å; G24-K128 WeakPolarHBondContact O-CE 3.33Å; G24-K128 PolarHBondContact O-NZ 2.85Å |
| 25 | V | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -71.2 | -16.4 | 178.7 | -56.5 | 0 | 0 | 0 | 0 | 113.8 | S22 G23 K27 V92 N127 | S22-V25 VanDerWaalsContact O-CG2 3.24Å; S22-V25 WeakPolarHBondContact O-CG2 3.41Å; G23-V25 PolarHBondContact O-N 2.93Å; G23-V25 VanDerWaalsContact O-N 3.1Å; V25-K27 HydrophobicContact CG2-CD 4.41Å; V25-K27 HydrophobicContact CG2-CG 3.72Å; V25-V92 HydrophobicContact CB-CG1 4.36Å; V25-V92 HydrophobicContact CG2-CB 4.02Å; V25-V92 HydrophobicContact CG2-CG1 3.92Å; V25-N127 PolarHBondContact O-ND2 3.47Å |
| 26 | G | 94.8 | Very high | 95.1 | Very high | 15 Ų | 15 | 20.5 Ų | 20.5 | 16% | 0.155 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 101.3 | 28.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G24 A29 L30 | G24-G26 PolarHBondContact O-N 2.88Å; G26-A29 PolarHBondContact O-N 3.48Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 3.41Å |
| 27 | K | 95.1 | Very high | 94.8 | Very high | 9 Ų | 9 | 21.6 Ų | 21.6 | 4% | 0.039 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -55.3 | -50.5 | 174.2 | -59.1 | -175.1 | -61.1 | -77 | 0 | 112.3 | M19 G21 S22 V25 L30 T31 D68 T69 A70 V92 | M19-K27 HydrophobicContact CB-CB 4.09Å; M19-K27 HydrophobicContact CB-CD 4.25Å; M19-K27 HydrophobicContact CB-CG 4.39Å; G21-K27 PolarHBondContact O-NZ 2.81Å; S22-K27 PolarHBondContact O-NZ 3.24Å; V25-K27 HydrophobicContact CG2-CD 4.41Å; V25-K27 HydrophobicContact CG2-CG 3.72Å; K27-L30 PolarHBondContact O-N 3.19Å; K27-T31 WeakPolarHBondContact O-CB 3.26Å; K27-T31 PolarHBondContact O-N 3.32Å; K27-T31 PolarHBondContact O-OG1 2.76Å; K27-D68 VanDerWaalsContact CB-OD1 3.29Å; K27-D68 WeakPolarHBondContact CB-OD1 3.24Å; K27-T69 WeakPolarHBondContact CE-O 3.37Å; K27-A70 PolarHBondContact NZ-O 2.81Å; K27-V92 HydrophobicContact CG-CB 4.28Å; K27-V92 HydrophobicContact CG-CG2 4.43Å |
| 28 | S | 93.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 27.4 Ų | 27.4 | 8% | 0.077 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.5 | -44.2 | 177.2 | -46 | 0 | 0 | 0 | 0 | 111.7 | L30 T31 L32 T46 D68 | S28-L30 VanDerWaalsContact C-N 3.34Å; S28-L30 PolarHBondContact O-N 3.03Å; S28-T31 PolarHBondContact O-N 3.16Å; S28-T31 VanDerWaalsContact O-N 3.13Å; S28-L32 WeakPolarHBondContact O-CB 3.4Å; S28-L32 WeakPolarHBondContact O-CG 3.48Å; S28-L32 PolarHBondContact O-N 2.9Å; S28-T46 PolarHBondContact OG-OG1 2.95Å; S28-D68 VanDerWaalsContact CA-OD2 3.23Å; S28-D68 WeakPolarHBondContact CA-OD2 2.87Å; S28-D68 WeakPolarHBondContact CB-OD2 3.4Å; S28-D68 PolarHBondContact N-OD1 3.09Å; S28-D68 PolarHBondContact OG-OD1 2.81Å; S28-D68 PolarHBondContact OG-OD2 2.69Å |
| 29 | A | 94.7 | Very high | 93.7 | Very high | 18 Ų | 18 | 30.6 Ų | 30.6 | 15% | 0.149 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.5 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G26 Q33 F39 A158 | G26-A29 PolarHBondContact O-N 3.48Å; A29-Q33 WeakPolarHBondContact O-CB 3.13Å; A29-Q33 PolarHBondContact O-N 2.82Å; A29-F39 HydrophobicContact CB-CD2 4.41Å; A29-F39 HydrophobicContact CB-CE2 4.15Å; A29-A158 HydrophobicContact CB-CB 3.67Å |
| 30 | L | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 174 | -72.8 | 172.1 | 0 | 0 | 0 | 112 | M19 G26 K27 S28 F34 V92 V125 N127 A158 V164 | M19-L30 HydrophobicContact CE-CB 4.2Å; M19-L30 HydrophobicContact CE-CD1 4.48Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 3.41Å; K27-L30 PolarHBondContact O-N 3.19Å; S28-L30 VanDerWaalsContact C-N 3.34Å; S28-L30 PolarHBondContact O-N 3.03Å; L30-F34 WeakPolarHBondContact O-CB 3.33Å; L30-F34 PolarHBondContact O-N 3.17Å; L30-V92 HydrophobicContact CD1-CG1 3.86Å; L30-V92 HydrophobicContact CD1-CG2 4.09Å; L30-V125 HydrophobicContact CD1-CG1 4.31Å; L30-N127 HydrophobicContact CD1-CB 4.3Å; L30-A158 HydrophobicContact CD2-CB 3.91Å; L30-A158 HydrophobicContact CG-CB 4.2Å; L30-V164 HydrophobicContact CD2-CG1 4.49Å; L30-V164 HydrophobicContact CD2-CG2 3.79Å |
| 31 | T | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -51.4 | 179.6 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | K27 S28 F34 M35 Y51 I66 D68 | K27-T31 WeakPolarHBondContact O-CB 3.26Å; K27-T31 PolarHBondContact O-N 3.32Å; K27-T31 PolarHBondContact O-OG1 2.76Å; S28-T31 PolarHBondContact O-N 3.16Å; S28-T31 VanDerWaalsContact O-N 3.13Å; T31-F34 PolarHBondContact O-N 3.08Å; T31-M35 HydrophobicContact CG2-CG 4.23Å; T31-M35 WeakPolarHBondContact O-CB 3.48Å; T31-M35 WeakPolarHBondContact O-CG 3.44Å; T31-M35 PolarHBondContact O-N 2.86Å; T31-Y51 HydrophobicContact CG2-CD2 3.54Å; T31-Y51 HydrophobicContact CG2-CE2 4.03Å; T31-Y51 HydrophobicContact CG2-CG 3.93Å; T31-I66 HydrophobicContact CG2-CB 4.27Å; T31-I66 HydrophobicContact CG2-CD1 4.3Å; T31-I66 HydrophobicContact CG2-CG2 3.8Å; T31-D68 HydrophobicContact CG2-CB 4.49Å |
| 32 | L | 94.4 | Very high | 90.4 | Very high | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.094 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 179.6 | -65.8 | 175.7 | 0 | 0 | 0 | 111.9 | S28 F34 M35 Y36 V40 Y43 Y51 | S28-L32 WeakPolarHBondContact O-CB 3.4Å; S28-L32 WeakPolarHBondContact O-CG 3.48Å; S28-L32 PolarHBondContact O-N 2.9Å; L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 2.93Å; L32-M35 PolarHBondContact O-N 2.8Å; L32-Y36 HydrophobicContact CD2-CD2 3.84Å; L32-Y36 HydrophobicContact CD2-CE2 3.75Å; L32-Y36 PolarHBondContact O-N 2.69Å; L32-V40 HydrophobicContact CD1-CG2 4.42Å; L32-Y43 HydrophobicContact CD1-CD2 3.78Å; L32-Y43 HydrophobicContact CD1-CE2 3.61Å; L32-Y51 HydrophobicContact CD2-CE1 3.87Å |
| 33 | Q | 96.2 | Very high | 89.1 | Confident | 12 Ų | 12 | 50.2 Ų | 50.2 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 174.9 | -179.2 | 63.4 | -88.2 | 0 | 0 | 110.9 | A29 D37 E38 A158 R161 V164 | A29-Q33 WeakPolarHBondContact O-CB 3.13Å; A29-Q33 PolarHBondContact O-N 2.82Å; Q33-D37 VanDerWaalsContact O-CA 3.26Å; Q33-D37 WeakPolarHBondContact O-CA 3.3Å; Q33-D37 PolarHBondContact O-N 2.75Å; Q33-D37 VanDerWaalsContact OE1-CA 3.3Å; Q33-E38 VanDerWaalsContact CA-O 3.24Å; Q33-E38 WeakPolarHBondContact CA-O 3.46Å; Q33-E38 PolarHBondContact N-O 2.78Å; Q33-A158 PolarHBondContact NE2-O 2.87Å; Q33-R161 HydrophobicContact CG-CB 4.4Å; Q33-R161 HydrophobicContact CG-CG 3.93Å; Q33-R161 PolarHBondContact O-NH1 3.08Å; Q33-V164 HydrophobicContact CB-CG1 4.27Å; Q33-V164 HydrophobicContact CG-CB 4.39Å; Q33-V164 HydrophobicContact CG-CG1 4.01Å; Q33-V164 HydrophobicContact CG-CG2 4.05Å |
| 34 | F | 97.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.009 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68 | -36.2 | 175.3 | 177.7 | -103.1 | 0 | 0 | 0 | 113.4 | L30 T31 L32 K53 V55 I64 I66 V164 D165 F168 F169 | L30-F34 WeakPolarHBondContact O-CB 3.33Å; L30-F34 PolarHBondContact O-N 3.17Å; T31-F34 PolarHBondContact O-N 3.08Å; L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 2.93Å; F34-K53 PolarHBondContact O-NZ 3.32Å; F34-V55 HydrophobicContact CZ-CG1 4.16Å; F34-I64 HydrophobicContact CE1-CD1 4.12Å; F34-I64 HydrophobicContact CE1-CG2 3.88Å; F34-I64 HydrophobicContact CZ-CD1 4.44Å; F34-I64 HydrophobicContact CZ-CG2 4.38Å; F34-I66 HydrophobicContact CD1-CD1 3.59Å; F34-I66 HydrophobicContact CE1-CD1 3.9Å; F34-V164 HydrophobicContact CB-CG1 3.91Å; F34-D165 WeakPolarHBondContact CD2-OD1 3.36Å; F34-F168 HydrophobicContact CB-CD2 3.65Å; F34-F168 HydrophobicContact CB-CE2 3.47Å; F34-F168 VanDerWaalsContact CB-CE2 3.47Å; F34-F168 HydrophobicContact CB-CZ 4.23Å; F34-F168 HydrophobicContact CD1-CD1 4.45Å; F34-F168 HydrophobicContact CD1-CD2 4.03Å; F34-F168 HydrophobicContact CD1-CE2 4.32Å; F34-F168 HydrophobicContact CD1-CG 4.12Å; F34-F168 HydrophobicContact CD2-CB 4.06Å; F34-F168 AromaticContact CD2-CD2 3.55Å; F34-F168 HydrophobicContact CD2-CD2 3.55Å; F34-F168 HydrophobicContact CD2-CE2 4.29Å; F34-F168 AromaticContact CD2-CG 4Å; F34-F168 HydrophobicContact CD2-CG 4Å; F34-F168 HydrophobicContact CE1-CB 4.37Å; F34-F168 HydrophobicContact CE1-CG 4.3Å; F34-F168 HydrophobicContact CE2-CB 3.78Å; F34-F168 HydrophobicContact CE2-CD2 4.17Å; F34-F168 HydrophobicContact CE2-CG 4.18Å; F34-F168 HydrophobicContact CG-CB 4.45Å; F34-F168 AromaticContact CG-CD2 3.45Å; F34-F168 HydrophobicContact CG-CD2 3.45Å; F34-F168 VanDerWaalsContact CG-CD2 3.45Å; F34-F168 AromaticContact CG-CE2 3.78Å; F34-F168 HydrophobicContact CG-CE2 3.78Å; F34-F168 AromaticContact CG-CG 3.95Å; F34-F168 HydrophobicContact CG-CG 3.95Å; F34-F168 HydrophobicContact CG-CZ 4.49Å; F34-F168 HydrophobicContact CZ-CB 3.94Å; F34-F168 HydrophobicContact CZ-CG 4.32Å; F34-F169 HydrophobicContact CE2-CD2 4.18Å; F34-F169 AromaticContact CE2-CE2 3.87Å; F34-F169 HydrophobicContact CE2-CE2 3.87Å; F34-F169 HydrophobicContact CZ-CE2 4.36Å |
| 35 | M | 94.8 | Very high | 86.8 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76 | -48 | -175.8 | -73.2 | -64.2 | -60.2 | 0 | 0 | 112.4 | T31 L32 Y51 K53 I66 | T31-M35 HydrophobicContact CG2-CG 4.23Å; T31-M35 WeakPolarHBondContact O-CB 3.48Å; T31-M35 WeakPolarHBondContact O-CG 3.44Å; T31-M35 PolarHBondContact O-N 2.86Å; L32-M35 PolarHBondContact O-N 2.8Å; M35-Y51 HydrophobicContact CE-CD1 4.45Å; M35-Y51 HydrophobicContact CG-CD1 4.31Å; M35-Y51 HydrophobicContact CG-CG 4.3Å; M35-K53 HydrophobicContact CE-CB 3.78Å; M35-K53 HydrophobicContact CE-CD 4.5Å; M35-K53 PolarHBondContact O-NZ 2.9Å; M35-K53 HydrophobicContact SD-CB 3.63Å; M35-K53 HydrophobicContact SD-CD 4.08Å; M35-K53 HydrophobicContact SD-CG 4.5Å; M35-I66 HydrophobicContact SD-CD1 4.24Å |
| 36 | Y | 93.7 | Very high | 85.2 | Confident | 127 Ų | 127 | 60.8 Ų | 60.8 | 50% | 0.498 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -122.7 | -1.2 | -165.4 | -54.2 | -60.6 | 0 | 0 | 0 | 114.3 | L32 E38 Y51 | L32-Y36 HydrophobicContact CD2-CD2 3.84Å; L32-Y36 HydrophobicContact CD2-CE2 3.75Å; L32-Y36 PolarHBondContact O-N 2.69Å; Y36-E38 PolarHBondContact O-N 2.75Å; Y36-Y51 HydrophobicContact CE2-CD1 4.2Å; Y36-Y51 HydrophobicContact CE2-CE1 4.13Å |
| 37 | D | 92.4 | Very high | 83.9 | Confident | 99 Ų | 99 | 69.4 Ų | 69.4 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 59.2 | 31.3 | -176.1 | -52.3 | -25.3 | 0 | 0 | 0 | 113.1 | Q33 R161 | Q33-D37 VanDerWaalsContact O-CA 3.26Å; Q33-D37 WeakPolarHBondContact O-CA 3.3Å; Q33-D37 PolarHBondContact O-N 2.75Å; Q33-D37 VanDerWaalsContact OE1-CA 3.3Å; D37-R161 IonicContact OD1-CZ 3.47Å; D37-R161 IonicContact OD1-NH1 3.19Å; D37-R161 PolarHBondContact OD1-NH1 3.43Å; D37-R161 IonicContact OD1-NH2 2.81Å; D37-R161 PolarHBondContact OD1-NH2 3.29Å |
| 38 | E | 86 | Confident | 82.8 | Confident | 122 Ų | 122 | 70.8 Ų | 70.8 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | trans | -121.2 | 143.7 | -179.2 | -71.2 | -177.2 | 176.1 | 0 | 0 | 111.5 | Q33 Y36 | Q33-E38 VanDerWaalsContact CA-O 3.24Å; Q33-E38 WeakPolarHBondContact CA-O 3.46Å; Q33-E38 PolarHBondContact N-O 2.78Å; Y36-E38 PolarHBondContact O-N 2.75Å | ||
| 39 | F | 85.4 | Confident | 82.5 | Confident | 74 Ų | 74 | 73.9 Ų | 73.9 | 33% | 0.325 | 37% | 0.371 | S | S | . | . | trans | -112 | 117.1 | 170 | 178.1 | -115.6 | 0 | 0 | 0 | 109.6 | A29 E41 A158 K159 | A29-F39 HydrophobicContact CB-CD2 4.41Å; A29-F39 HydrophobicContact CB-CE2 4.15Å; F39-E41 HydrophobicContact CD1-CG 3.84Å; F39-E41 HydrophobicContact CE1-CB 4.42Å; F39-E41 HydrophobicContact CE1-CG 3.19Å; F39-E41 HydrophobicContact CZ-CG 3.87Å; F39-A158 HydrophobicContact CD2-CB 4.16Å; F39-A158 HydrophobicContact CE2-CB 4.16Å; F39-K159 HydrophobicContact CD1-CB 4.2Å; F39-K159 HydrophobicContact CD1-CG 4.02Å; F39-K159 HydrophobicContact CD2-CB 4.43Å; F39-K159 HydrophobicContact CE1-CB 3.85Å; F39-K159 HydrophobicContact CE1-CD 3.98Å; F39-K159 HydrophobicContact CE1-CG 3.74Å; F39-K159 HydrophobicContact CE2-CB 4.15Å; F39-K159 HydrophobicContact CG-CB 4.46Å; F39-K159 HydrophobicContact CZ-CB 3.86Å; F39-K159 HydrophobicContact CZ-CD 4.43Å; F39-K159 HydrophobicContact CZ-CG 4.24Å | ||
| 40 | V | 77.8 | Confident | 82.3 | Confident | 59 Ų | 59 | 76 Ų | 76 | 36% | 0.358 | 38% | 0.384 | S | S | . | . | trans | -103.6 | 111.7 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | L32 | L32-V40 HydrophobicContact CD1-CG2 4.42Š| ||
| 41 | E | 72 | Confident | 82.2 | Confident | 131 Ų | 131 | 77 Ų | 77 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -70.8 | -45 | -179.7 | -77.9 | -172.3 | 167 | 0 | 0 | 111.8 | F39 Y43 K159 | F39-E41 HydrophobicContact CD1-CG 3.84Å; F39-E41 HydrophobicContact CE1-CB 4.42Å; F39-E41 HydrophobicContact CE1-CG 3.19Å; F39-E41 HydrophobicContact CZ-CG 3.87Å; E41-Y43 PolarHBondContact O-N 3.11Å; E41-K159 IonicContact OE1-NZ 3.71Å; E41-K159 PolarHBondContact OE1-NZ 3.42Å |
| 42 | D | 67 | Low | 82.2 | Confident | 156 Ų | 156 | 83.3 Ų | 83.3 | 83% | 0.834 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -97.2 | 82.6 | 179.6 | -65.1 | -40.8 | 0 | 0 | 0 | 110.3 | ||
| 43 | Y | 66.3 | Low | 82.3 | Confident | 92 Ų | 92 | 85.3 Ų | 85.3 | 36% | 0.361 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -97.4 | 126.4 | 173.5 | -164.5 | -97.5 | 0 | 0 | 0 | 110.6 | L32 E41 T46 | L32-Y43 HydrophobicContact CD1-CD2 3.78Å; L32-Y43 HydrophobicContact CD1-CE2 3.61Å; E41-Y43 PolarHBondContact O-N 3.11Å; Y43-T46 HydrophobicContact CE1-CG2 4.16Å; Y43-T46 VanDerWaalsContact CE1-OG1 3.24Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.3Å |
| 44 | E | 66.4 | Low | 82.3 | Confident | 167 Ų | 167 | 90.5 Ų | 90.5 | 78% | 0.78 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 139 | 172.5 | -68.9 | -169.8 | 155.6 | 0 | 0 | 110.2 | T46 | E44-T46 PolarHBondContact O-N 2.9Š|
| 45 | P | 67.4 | Low | 82.3 | Confident | 131 Ų | 131 | 91.1 Ų | 91.1 | 85% | 0.851 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -46.9 | 119.7 | 177.1 | -28.8 | 34.9 | 0 | 0 | 0 | 112.2 | K47 | P45-K47 PolarHBondContact O-N 3.47Š|
| 46 | T | 61.8 | Low | 82.4 | Confident | 18 Ų | 18 | 95 Ų | 95 | 11% | 0.11 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -62 | 128.9 | -168.5 | -36.5 | 0 | 0 | 0 | 0 | 111.8 | S28 Y43 E44 D68 A70 | S28-T46 PolarHBondContact OG-OG1 2.95Å; Y43-T46 HydrophobicContact CE1-CG2 4.16Å; Y43-T46 VanDerWaalsContact CE1-OG1 3.24Å; Y43-T46 WeakPolarHBondContact CE1-OG1 3.3Å; E44-T46 PolarHBondContact O-N 2.9Å; T46-D68 WeakPolarHBondContact CG2-OD2 3.09Å; T46-A70 WeakPolarHBondContact O-CB 3.38Å |
| 47 | K | 67.3 | Low | 82.6 | Confident | 196 Ų | 196 | 89 Ų | 89 | 85% | 0.852 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 121.2 | 151.3 | -175.4 | 178.3 | -179 | 179.7 | 0 | 106.6 | P45 D49 | P45-K47 PolarHBondContact O-N 3.47Å; K47-D49 PolarHBondContact O-N 3.23Å |
| 48 | A | 72.5 | Confident | 82.7 | Confident | 38 Ų | 38 | 88.4 Ų | 88.4 | 31% | 0.314 | 44% | 0.444 | S | S | . | . | trans | -41.4 | 129.1 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D68 | A48-D68 CarbonylContact C-O 3.58Å; A48-D68 VanDerWaalsContact CA-O 3.23Å; A48-D68 WeakPolarHBondContact CA-O 3.36Å | ||
| 49 | D | 86.3 | Confident | 83.1 | Confident | 77 Ų | 77 | 86 Ų | 86 | 41% | 0.412 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 152.7 | -172.6 | -156.5 | -2.4 | 0 | 0 | 0 | 111.9 | K47 Y51 D68 | K47-D49 PolarHBondContact O-N 3.23Å; D49-Y51 HydrophobicContact CB-CE2 3.85Å; D49-D68 PolarHBondContact N-O 2.86Å; D49-D68 PolarHBondContact O-N 3.25Å |
| 50 | S | 91.1 | Very high | 83.5 | Confident | 62 Ų | 62 | 87 Ų | 87 | 43% | 0.434 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.4 | -176.9 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | D65 I66 | S50-D65 PolarHBondContact OG-OD1 3.27Å; S50-I66 CarbonylContact C-O 3.38Å; S50-I66 WeakPolarHBondContact CA-O 3.36Å |
| 51 | Y | 94.7 | Very high | 84.4 | Confident | 21 Ų | 21 | 88.6 Ų | 88.6 | 8% | 0.082 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 134.6 | -177.7 | -63.8 | -90.2 | 0 | 0 | 0 | 110.1 | T31 L32 M35 Y36 D49 D65 I66 D68 | T31-Y51 HydrophobicContact CG2-CD2 3.54Å; T31-Y51 HydrophobicContact CG2-CE2 4.03Å; T31-Y51 HydrophobicContact CG2-CG 3.93Å; L32-Y51 HydrophobicContact CD2-CE1 3.87Å; M35-Y51 HydrophobicContact CE-CD1 4.45Å; M35-Y51 HydrophobicContact CG-CD1 4.31Å; M35-Y51 HydrophobicContact CG-CG 4.3Å; Y36-Y51 HydrophobicContact CE2-CD1 4.2Å; Y36-Y51 HydrophobicContact CE2-CE1 4.13Å; D49-Y51 HydrophobicContact CB-CE2 3.85Å; Y51-D65 CarbonylContact O-C 3.56Å; Y51-D65 WeakPolarHBondContact O-CA 3.47Å; Y51-I66 PolarHBondContact N-O 3.25Å; Y51-I66 PolarHBondContact O-N 2.74Å; Y51-D68 HydrophobicContact CD2-CB 4.39Å; Y51-D68 HydrophobicContact CE2-CB 4.07Å |
| 52 | R | 96.6 | Very high | 85.6 | Confident | 133 Ų | 133 | 82.4 Ų | 82.4 | 50% | 0.502 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.9 | -177.9 | -168.5 | 176.8 | -77.3 | -170.9 | 3.3 | 112 | Q63 I64 D65 | R52-Q63 HydrophobicContact CG-CG 3.52Å; R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.33Å; R52-I64 WeakPolarHBondContact CG-O 3.48Å; R52-D65 IonicContact CZ-OD2 3.37Å; R52-D65 IonicContact NE-OD2 3.05Å; R52-D65 PolarHBondContact NE-OD2 3.18Å; R52-D65 IonicContact NH2-OD2 2.9Å; R52-D65 PolarHBondContact NH2-OD2 2.97Å |
| 53 | K | 94.8 | Very high | 87.1 | Confident | 59 Ų | 59 | 77.1 Ų | 77.1 | 26% | 0.257 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 143.5 | -179.2 | -174.2 | 167.8 | 177.5 | 170.8 | 0 | 110.4 | F34 M35 V55 Q63 I64 | F34-K53 PolarHBondContact O-NZ 3.32Å; M35-K53 HydrophobicContact CE-CB 3.78Å; M35-K53 HydrophobicContact CE-CD 4.5Å; M35-K53 PolarHBondContact O-NZ 2.9Å; M35-K53 HydrophobicContact SD-CB 3.63Å; M35-K53 HydrophobicContact SD-CD 4.08Å; M35-K53 HydrophobicContact SD-CG 4.5Å; K53-V55 HydrophobicContact CD-CG1 4.36Å; K53-V55 HydrophobicContact CG-CG1 4Å; K53-Q63 WeakPolarHBondContact O-CA 3.3Å; K53-I64 HydrophobicContact CB-CG2 4.11Å; K53-I64 PolarHBondContact N-O 3.42Å; K53-I64 VanDerWaalsContact N-O 3.08Å; K53-I64 WeakPolarHBondContact O-CG2 3.35Å; K53-I64 PolarHBondContact O-N 3.36Å |
| 54 | K | 97.4 | Very high | 88.6 | Confident | 121 Ų | 121 | 72.8 Ų | 72.8 | 53% | 0.526 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 134.8 | 167.7 | -68.2 | 178.5 | 160.2 | -148.4 | 0 | 108.7 | L12 E61 V62 | L12-K54 HydrophobicContact CD1-CD 4.14Å; L12-K54 VanDerWaalsContact CD1-CE 3.46Å; L12-K54 HydrophobicContact CD1-CG 4.27Å; K54-E61 WeakPolarHBondContact CD-OE1 3.38Å; K54-E61 IonicContact NZ-OE1 2.7Å; K54-E61 PolarHBondContact NZ-OE1 3.38Å; K54-V62 WeakPolarHBondContact CA-O 3.47Å |
| 55 | V | 96.9 | Very high | 90.1 | Very high | 15 Ų | 15 | 65.8 Ų | 65.8 | 9% | 0.091 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 157.8 | -177.6 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | F34 K53 V62 I64 F169 M172 | F34-V55 HydrophobicContact CZ-CG1 4.16Å; K53-V55 HydrophobicContact CD-CG1 4.36Å; K53-V55 HydrophobicContact CG-CG1 4Å; V55-V62 HydrophobicContact CG2-CG2 3.69Å; V55-V62 PolarHBondContact N-O 3.49Å; V55-V62 PolarHBondContact O-N 2.82Å; V55-V62 VanDerWaalsContact O-O 3.11Å; V55-I64 HydrophobicContact CG1-CG2 4.41Å; V55-I64 HydrophobicContact CG2-CG2 4.48Å; V55-F169 HydrophobicContact CB-CE1 4.47Å; V55-F169 HydrophobicContact CB-CZ 4.11Å; V55-M172 HydrophobicContact CG2-CE 3.93Å; V55-M172 HydrophobicContact CG2-SD 4.05Å |
| 56 | V | 97.3 | Very high | 91.5 | Very high | 97 Ų | 97 | 59.5 Ų | 59.5 | 59% | 0.588 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 104.4 | 174.2 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | E60 F169 | V56-E60 CarbonylContact C-O 3.53Å; V56-E60 WeakPolarHBondContact CA-O 3.43Å; V56-F169 WeakPolarHBondContact O-CE1 3.39Å |
| 57 | L | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 105.4 | 179.4 | 178.9 | 66.2 | 0 | 0 | 0 | 109.9 | G59 E60 V62 F169 M172 R173 R176 | L57-G59 PolarHBondContact O-N 2.85Å; L57-E60 PolarHBondContact N-O 3.15Å; L57-E60 PolarHBondContact O-N 3.42Å; L57-E60 VanDerWaalsContact O-N 3.11Å; L57-V62 HydrophobicContact CB-CG1 4.34Å; L57-V62 HydrophobicContact CB-CG2 3.59Å; L57-V62 HydrophobicContact CD2-CG2 4.24Å; L57-F169 HydrophobicContact CD1-CD1 3.59Å; L57-F169 HydrophobicContact CD1-CE1 4.27Å; L57-M172 HydrophobicContact CD1-CB 4.23Å; L57-M172 HydrophobicContact CD1-CE 4.39Å; L57-M172 HydrophobicContact CD2-CB 3.81Å; L57-R173 HydrophobicContact CD1-CG 3.93Å; L57-R176 PolarHBondContact O-NH1 3.05Å |
| 58 | D | 94.8 | Very high | 94.3 | Very high | 87 Ų | 87 | 50.4 Ų | 50.4 | 47% | 0.465 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 41.9 | -179.9 | -49.2 | -36.4 | 0 | 0 | 0 | 113.3 | R173 R176 | D58-R173 IonicContact OD1-CZ 2.74Å; D58-R173 IonicContact OD1-NE 2.63Å; D58-R173 PolarHBondContact OD1-NE 3.41Å; D58-R173 VanDerWaalsContact OD1-NE 3.09Å; D58-R173 IonicContact OD1-NH2 3.94Å; D58-R173 PolarHBondContact OD1-NH2 3.44Å; D58-R173 IonicContact OD2-NE 2.89Å; D58-R173 PolarHBondContact OD2-NE 2.94Å; D58-R176 IonicContact OD2-CZ 3.41Å; D58-R176 IonicContact OD2-NH1 3.16Å; D58-R176 PolarHBondContact OD2-NH1 2.89Å; D58-R176 IonicContact OD2-NH2 3.09Å; D58-R176 PolarHBondContact OD2-NH2 3.42Å |
| 59 | G | 94.3 | Very high | 95 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 73% | 0.732 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.7 | -4.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | L57 | L57-G59 PolarHBondContact O-N 2.85Š|
| 60 | E | 94.9 | Very high | 94.5 | Very high | 96 Ų | 96 | 46.7 Ų | 46.7 | 45% | 0.449 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.8 | 177.4 | -170.4 | 178.2 | 178.3 | 0 | 0 | 111.2 | V56 L57 V62 | V56-E60 CarbonylContact C-O 3.53Å; V56-E60 WeakPolarHBondContact CA-O 3.43Å; L57-E60 PolarHBondContact N-O 3.15Å; L57-E60 PolarHBondContact O-N 3.42Å; L57-E60 VanDerWaalsContact O-N 3.11Å; E60-V62 HydrophobicContact CB-CG1 4.48Å; E60-V62 HydrophobicContact CG-CG1 4.19Å; E60-V62 PolarHBondContact O-N 3.23Å |
| 61 | E | 97.1 | Very high | 93.2 | Very high | 93 Ų | 93 | 44.6 Ų | 44.6 | 44% | 0.435 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 119.6 | 171.8 | -168.9 | -173.1 | 171.1 | 0 | 0 | 109.1 | L12 K54 | L12-E61 HydrophobicContact CD1-CG 4.21Å; L12-E61 HydrophobicContact CD2-CB 4.03Å; L12-E61 HydrophobicContact CD2-CG 3.93Å; L12-E61 WeakPolarHBondContact CD2-O 3.49Å; K54-E61 WeakPolarHBondContact CD-OE1 3.38Å; K54-E61 IonicContact NZ-OE1 2.7Å; K54-E61 PolarHBondContact NZ-OE1 3.38Å |
| 62 | V | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 168.3 | 177.2 | -56.6 | 0 | 0 | 0 | 0 | 109.8 | A13 K54 V55 L57 E60 M172 | A13-V62 HydrophobicContact CB-CB 4.47Å; A13-V62 HydrophobicContact CB-CG1 4.09Å; K54-V62 WeakPolarHBondContact CA-O 3.47Å; V55-V62 HydrophobicContact CG2-CG2 3.69Å; V55-V62 PolarHBondContact N-O 3.49Å; V55-V62 PolarHBondContact O-N 2.82Å; V55-V62 VanDerWaalsContact O-O 3.11Å; L57-V62 HydrophobicContact CB-CG1 4.34Å; L57-V62 HydrophobicContact CB-CG2 3.59Å; L57-V62 HydrophobicContact CD2-CG2 4.24Å; E60-V62 HydrophobicContact CB-CG1 4.48Å; E60-V62 HydrophobicContact CG-CG1 4.19Å; E60-V62 PolarHBondContact O-N 3.23Å; V62-M172 HydrophobicContact CG2-SD 4.38Å |
| 63 | Q | 97.8 | Very high | 90.1 | Very high | 46 Ų | 46 | 46 Ų | 46 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.2 | 174.8 | -169.8 | 164 | 51.6 | 0 | 0 | 109.6 | A13 L14 H15 R52 K53 | A13-Q63 PolarHBondContact O-N 2.79Å; L14-Q63 CarbonylContact C-O 3.49Å; L14-Q63 VanDerWaalsContact CA-O 3.3Å; L14-Q63 WeakPolarHBondContact CA-O 3.5Å; L14-Q63 HydrophobicContact CD1-CB 3.91Å; L14-Q63 HydrophobicContact CD1-CG 3.77Å; H15-Q63 PolarHBondContact N-O 2.74Å; R52-Q63 HydrophobicContact CG-CG 3.52Å; K53-Q63 WeakPolarHBondContact O-CA 3.3Å |
| 64 | I | 98.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 138.4 | 171.3 | -171.4 | 177.2 | 0 | 0 | 0 | 109 | H15 V17 F34 R52 K53 V55 I66 F168 M172 | H15-I64 WeakPolarHBondContact O-CA 3.4Å; V17-I64 HydrophobicContact CB-CD1 4.47Å; V17-I64 HydrophobicContact CG2-CD1 3.93Å; V17-I64 HydrophobicContact CG2-CG1 4.09Å; F34-I64 HydrophobicContact CE1-CD1 4.12Å; F34-I64 HydrophobicContact CE1-CG2 3.88Å; F34-I64 HydrophobicContact CZ-CD1 4.44Å; F34-I64 HydrophobicContact CZ-CG2 4.38Å; R52-I64 VanDerWaalsContact CA-O 3.3Å; R52-I64 WeakPolarHBondContact CA-O 3.33Å; R52-I64 WeakPolarHBondContact CG-O 3.48Å; K53-I64 HydrophobicContact CB-CG2 4.11Å; K53-I64 PolarHBondContact N-O 3.42Å; K53-I64 VanDerWaalsContact N-O 3.08Å; K53-I64 WeakPolarHBondContact O-CG2 3.35Å; K53-I64 PolarHBondContact O-N 3.36Å; V55-I64 HydrophobicContact CG1-CG2 4.41Å; V55-I64 HydrophobicContact CG2-CG2 4.48Å; I64-I66 HydrophobicContact CD1-CD1 4Å; I64-I66 HydrophobicContact CD1-CG1 3.77Å; I64-I66 HydrophobicContact CG1-CD1 4.46Å; I64-I66 HydrophobicContact CG1-CG1 3.85Å; I64-F168 HydrophobicContact CD1-CB 4.3Å; I64-F168 HydrophobicContact CD1-CD1 3.97Å; I64-M172 HydrophobicContact CB-SD 3.76Å; I64-M172 HydrophobicContact CD1-CE 4.26Å; I64-M172 HydrophobicContact CD1-CG 4.07Å; I64-M172 HydrophobicContact CD1-SD 3.81Å; I64-M172 HydrophobicContact CG1-CG 4.41Å; I64-M172 HydrophobicContact CG1-SD 3.99Å |
| 65 | D | 97.7 | Very high | 87.2 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 109.5 | 173.7 | -169.9 | -24 | 0 | 0 | 0 | 107.5 | L14 H15 K16 V17 S50 Y51 R52 | L14-D65 HydrophobicContact CD1-CB 3.93Å; L14-D65 HydrophobicContact CG-CB 4.47Å; H15-D65 PolarHBondContact O-N 2.93Å; K16-D65 CarbonylContact C-O 3.59Å; K16-D65 WeakPolarHBondContact CA-O 3.25Å; K16-D65 HydrophobicContact CG-CB 4.43Å; V17-D65 PolarHBondContact N-O 3.31Å; S50-D65 PolarHBondContact OG-OD1 3.27Å; Y51-D65 CarbonylContact O-C 3.56Å; Y51-D65 WeakPolarHBondContact O-CA 3.47Å; R52-D65 IonicContact CZ-OD2 3.37Å; R52-D65 IonicContact NE-OD2 3.05Å; R52-D65 PolarHBondContact NE-OD2 3.18Å; R52-D65 IonicContact NH2-OD2 2.9Å; R52-D65 PolarHBondContact NH2-OD2 2.97Å |
| 66 | I | 97.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 118.1 | -176.3 | -54.1 | 168.9 | 0 | 0 | 0 | 107.7 | V17 M19 T31 F34 M35 S50 Y51 I64 F168 | V17-I66 HydrophobicContact CB-CG1 4.48Å; V17-I66 CarbonylContact O-C 3.5Å; V17-I66 WeakPolarHBondContact O-CA 3.46Å; M19-I66 HydrophobicContact CG-CG2 3.68Å; M19-I66 HydrophobicContact SD-CG2 4Å; T31-I66 HydrophobicContact CG2-CB 4.27Å; T31-I66 HydrophobicContact CG2-CD1 4.3Å; T31-I66 HydrophobicContact CG2-CG2 3.8Å; F34-I66 HydrophobicContact CD1-CD1 3.59Å; F34-I66 HydrophobicContact CE1-CD1 3.9Å; M35-I66 HydrophobicContact SD-CD1 4.24Å; S50-I66 CarbonylContact C-O 3.38Å; S50-I66 WeakPolarHBondContact CA-O 3.36Å; Y51-I66 PolarHBondContact N-O 3.25Å; Y51-I66 PolarHBondContact O-N 2.74Å; I64-I66 HydrophobicContact CD1-CD1 4Å; I64-I66 HydrophobicContact CD1-CG1 3.77Å; I64-I66 HydrophobicContact CG1-CD1 4.46Å; I64-I66 HydrophobicContact CG1-CG1 3.85Å; I66-F168 HydrophobicContact CD1-CD1 3.9Å; I66-F168 HydrophobicContact CD1-CE1 3.56Å; I66-F168 HydrophobicContact CD1-CZ 4.16Å; I66-F168 HydrophobicContact CG1-CD1 4.39Å; I66-F168 HydrophobicContact CG1-CE1 4.1Å; I66-F168 HydrophobicContact CG2-CE1 4.18Å |
| 67 | L | 95.3 | Very high | 85.1 | Confident | 22 Ų | 22 | 53 Ų | 53 | 12% | 0.115 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 110.1 | 167 | -175.1 | 71 | 0 | 0 | 0 | 109.1 | V17 I18 M19 T69 Y82 | V17-L67 PolarHBondContact O-N 3.1Å; I18-L67 HydrophobicContact CD1-CB 3.63Å; I18-L67 HydrophobicContact CD1-CD2 3.87Å; I18-L67 HydrophobicContact CD1-CG 4.41Å; I18-L67 HydrophobicContact CG2-CD2 4.36Å; M19-L67 PolarHBondContact N-O 3.36Å; L67-T69 HydrophobicContact CD2-CG2 4.3Å; L67-T69 HydrophobicContact CG-CG2 4.32Å; L67-Y82 HydrophobicContact CD2-CD1 3.41Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.41Å; L67-Y82 HydrophobicContact CD2-CD2 3.8Å; L67-Y82 HydrophobicContact CD2-CE1 3.96Å; L67-Y82 HydrophobicContact CD2-CE2 4.28Å; L67-Y82 HydrophobicContact CD2-CG 3.34Å |
| 68 | D | 91.4 | Very high | 84.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 118.8 | 171.1 | -175.1 | 32.4 | 0 | 0 | 0 | 109.7 | K27 S28 T31 T46 A48 D49 Y51 | K27-D68 VanDerWaalsContact CB-OD1 3.29Å; K27-D68 WeakPolarHBondContact CB-OD1 3.24Å; S28-D68 VanDerWaalsContact CA-OD2 3.23Å; S28-D68 WeakPolarHBondContact CA-OD2 2.87Å; S28-D68 WeakPolarHBondContact CB-OD2 3.4Å; S28-D68 PolarHBondContact N-OD1 3.09Å; S28-D68 PolarHBondContact OG-OD1 2.81Å; S28-D68 PolarHBondContact OG-OD2 2.69Å; T31-D68 HydrophobicContact CG2-CB 4.49Å; T46-D68 WeakPolarHBondContact CG2-OD2 3.09Å; A48-D68 CarbonylContact C-O 3.58Å; A48-D68 VanDerWaalsContact CA-O 3.23Å; A48-D68 WeakPolarHBondContact CA-O 3.36Å; D49-D68 PolarHBondContact N-O 2.86Å; D49-D68 PolarHBondContact O-N 3.25Å; Y51-D68 HydrophobicContact CD2-CB 4.39Å; Y51-D68 HydrophobicContact CE2-CB 4.07Å |
| 69 | T | 86.7 | Confident | 83.8 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | trans | -98.7 | 152.7 | -176.8 | 66.8 | 0 | 0 | 0 | 0 | 110.6 | I18 M19 K27 L67 G71 E73 | I18-T69 HydrophobicContact CG2-CG2 4.19Å; M19-T69 VanDerWaalsContact O-CG2 3.31Å; M19-T69 WeakPolarHBondContact O-CG2 3.42Å; M19-T69 PolarHBondContact O-OG1 3.4Å; K27-T69 WeakPolarHBondContact CE-O 3.37Å; L67-T69 HydrophobicContact CD2-CG2 4.3Å; L67-T69 HydrophobicContact CG-CG2 4.32Å; T69-G71 PolarHBondContact O-N 3.5Å; T69-E73 WeakPolarHBondContact CB-OE1 3.32Å; T69-E73 WeakPolarHBondContact CG2-OE1 3.24Å | ||
| 70 | A | 75.5 | Confident | 83.6 | Confident | 31 Ų | 31 | 53 Ų | 53 | 26% | 0.256 | 28% | 0.279 | S | S | . | . | trans | -61.7 | -27.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | K27 T46 | K27-A70 PolarHBondContact NZ-O 2.81Å; T46-A70 WeakPolarHBondContact O-CB 3.38Å | ||
| 71 | G | 64.8 | Low | 83.2 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 19% | 0.186 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 77.6 | 6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | G21 T69 | G21-G71 WeakPolarHBondContact O-CA 3.41Å; T69-G71 PolarHBondContact O-N 3.5Å |
| 72 | Q | 63.3 | Low | 82.8 | Confident | 145 Ų | 145 | 51.5 Ų | 51.5 | 68% | 0.678 | 27% | 0.272 | S | S | * | . | trans | -136.4 | 43.6 | 178 | -66.5 | -175.5 | -23.8 | 0 | 0 | 110.6 | D74 | Q72-D74 PolarHBondContact O-N 3.38Š| ||
| 73 | E | 63.9 | Low | 82.6 | Confident | 37 Ų | 37 | 51.7 Ų | 51.7 | 17% | 0.173 | 27% | 0.273 | C | S | . | . | trans | -71.8 | 96.3 | -178.6 | -64.7 | -174.9 | -176.2 | 0 | 0 | 110.5 | T69 Y75 R79 Y82 | T69-E73 WeakPolarHBondContact CB-OE1 3.32Å; T69-E73 WeakPolarHBondContact CG2-OE1 3.24Å; E73-Y75 PolarHBondContact O-N 2.83Å; E73-R79 HydrophobicContact CB-CB 4.39Å; E73-R79 PolarHBondContact O-NH1 3.35Å; E73-R79 VanDerWaalsContact OE2-CA 3.26Å; E73-R79 WeakPolarHBondContact OE2-CA 3.39Å; E73-R79 WeakPolarHBondContact OE2-CB 3.35Å; E73-Y82 WeakPolarHBondContact OE1-CE2 3.29Å; E73-Y82 VanDerWaalsContact OE2-CD2 3.3Å; E73-Y82 WeakPolarHBondContact OE2-CD2 3.43Å; E73-Y82 WeakPolarHBondContact OE2-CE2 3.31Å | ||
| 74 | D | 59.6 | Low | 82.4 | Confident | 150 Ų | 150 | 55.9 Ų | 55.9 | 80% | 0.802 | 29% | 0.287 | S | S | * | . | trans | -62.4 | -20.1 | -177.6 | -68.3 | -36.1 | 0 | 0 | 0 | 113.5 | Q72 | Q72-D74 PolarHBondContact O-N 3.38Š| ||
| 75 | Y | 69.8 | Low | 82.1 | Confident | 171 Ų | 171 | 58.6 Ų | 58.6 | 67% | 0.671 | 31% | 0.306 | S | S | * | . | trans | -105.1 | 100.7 | -179.5 | -67.4 | -81.6 | 0 | 0 | 0 | 111.8 | E73 A77 I78 R79 | E73-Y75 PolarHBondContact O-N 2.83Å; Y75-A77 PolarHBondContact O-N 2.7Å; Y75-A77 VanDerWaalsContact O-N 3.09Å; Y75-I78 HydrophobicContact CG-CD1 4.45Å; Y75-I78 PolarHBondContact O-N 3.06Å; Y75-R79 PolarHBondContact O-N 3.28Å | ||
| 76 | A | 74.4 | Confident | 82 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -51.5 | -36.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I78 R79 D80 | A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 2.91Å; A76-R79 PolarHBondContact O-N 3.29Å; A76-D80 WeakPolarHBondContact O-CB 3.42Å; A76-D80 VanDerWaalsContact O-CG 3.27Å; A76-D80 PolarHBondContact O-N 2.8Å |
| 77 | A | 77.1 | Confident | 82 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 58% | 0.579 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.4 | -34.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y75 N81 | Y75-A77 PolarHBondContact O-N 2.7Å; Y75-A77 VanDerWaalsContact O-N 3.09Å; A77-N81 VanDerWaalsContact O-CG 3.28Å; A77-N81 PolarHBondContact O-N 3.22Å; A77-N81 PolarHBondContact O-ND2 3.42Å |
| 78 | I | 78.8 | Confident | 82.1 | Confident | 75 Ų | 75 | 59.3 Ų | 59.3 | 39% | 0.385 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.7 | -48.1 | 177.9 | -66.4 | 179.8 | 0 | 0 | 0 | 109 | Y75 A76 D80 N81 Y82 | Y75-I78 HydrophobicContact CG-CD1 4.45Å; Y75-I78 PolarHBondContact O-N 3.06Å; A76-I78 VanDerWaalsContact C-N 3.34Å; A76-I78 PolarHBondContact O-N 2.91Å; I78-D80 PolarHBondContact O-N 2.98Å; I78-N81 WeakPolarHBondContact O-CB 3.47Å; I78-N81 PolarHBondContact O-N 2.74Å; I78-N81 VanDerWaalsContact O-N 3.08Å; I78-Y82 HydrophobicContact CG2-CD2 4.11Å; I78-Y82 HydrophobicContact CG2-CE1 4.38Å; I78-Y82 HydrophobicContact CG2-CE2 3.27Å; I78-Y82 VanDerWaalsContact CG2-CZ 3.41Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.34Å; I78-Y82 WeakPolarHBondContact O-CD2 3.48Å; I78-Y82 PolarHBondContact O-N 3.31Å |
| 79 | R | 84.3 | Confident | 82.4 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 19% | 0.185 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.5 | -46.5 | 176.3 | -173.6 | 178.7 | 62.8 | -134.8 | 3 | 112.6 | E73 Y75 A76 N81 Y82 F83 | E73-R79 HydrophobicContact CB-CB 4.39Å; E73-R79 PolarHBondContact O-NH1 3.35Å; E73-R79 VanDerWaalsContact OE2-CA 3.26Å; E73-R79 WeakPolarHBondContact OE2-CA 3.39Å; E73-R79 WeakPolarHBondContact OE2-CB 3.35Å; Y75-R79 PolarHBondContact O-N 3.28Å; A76-R79 PolarHBondContact O-N 3.29Å; R79-N81 PolarHBondContact O-N 2.98Å; R79-Y82 WeakPolarHBondContact O-CB 3.33Å; R79-Y82 PolarHBondContact O-N 2.87Å; R79-Y82 VanDerWaalsContact O-N 3.11Å; R79-F83 HydrophobicContact CG-CD2 4.14Å; R79-F83 HydrophobicContact CG-CE1 3.98Å; R79-F83 HydrophobicContact CG-CE2 3.54Å; R79-F83 HydrophobicContact CG-CZ 3.46Å; R79-F83 VanDerWaalsContact CG-CZ 3.46Å; R79-F83 WeakPolarHBondContact O-CG 3.25Å; R79-F83 PolarHBondContact O-N 3.46Å |
| 80 | D | 89.3 | Confident | 83 | Confident | 35 Ų | 35 | 59 Ų | 59 | 19% | 0.187 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.2 | -32.6 | 178.4 | -75.5 | 5.4 | 0 | 0 | 0 | 112 | A76 I78 R84 V114 | A76-D80 WeakPolarHBondContact O-CB 3.42Å; A76-D80 VanDerWaalsContact O-CG 3.27Å; A76-D80 PolarHBondContact O-N 2.8Å; I78-D80 PolarHBondContact O-N 2.98Å; D80-R84 VanDerWaalsContact O-CB 3.26Å; D80-R84 WeakPolarHBondContact O-CB 3.5Å; D80-R84 PolarHBondContact O-N 3.34Å; D80-R84 PolarHBondContact O-NH1 3.26Å; D80-V114 HydrophobicContact CB-CG1 4.5Å; D80-V114 HydrophobicContact CB-CG2 4.2Å; D80-V114 WeakPolarHBondContact O-CG1 3.35Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.29Å |
| 81 | N | 88.3 | Confident | 84.1 | Confident | 90 Ų | 90 | 57.6 Ų | 57.6 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 174.8 | -72.1 | -25 | 0 | 0 | 0 | 112 | A77 I78 R79 R84 S85 | A77-N81 VanDerWaalsContact O-CG 3.28Å; A77-N81 PolarHBondContact O-N 3.22Å; A77-N81 PolarHBondContact O-ND2 3.42Å; I78-N81 WeakPolarHBondContact O-CB 3.47Å; I78-N81 PolarHBondContact O-N 2.74Å; I78-N81 VanDerWaalsContact O-N 3.08Å; R79-N81 PolarHBondContact O-N 2.98Å; N81-R84 PolarHBondContact O-N 3Å; N81-R84 PolarHBondContact OD1-NH1 3.01Å; N81-R84 VanDerWaalsContact OD1-NH1 3.12Å; N81-S85 WeakPolarHBondContact O-CB 3.02Å; N81-S85 PolarHBondContact O-N 3.45Å; N81-S85 PolarHBondContact O-OG 3.46Å |
| 82 | Y | 88.8 | Confident | 85.7 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 26% | 0.263 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 174.2 | -57.6 | -37 | 0 | 0 | 0 | 111.4 | L67 E73 I78 R79 R84 S85 G86 | L67-Y82 HydrophobicContact CD2-CD1 3.41Å; L67-Y82 VanDerWaalsContact CD2-CD1 3.41Å; L67-Y82 HydrophobicContact CD2-CD2 3.8Å; L67-Y82 HydrophobicContact CD2-CE1 3.96Å; L67-Y82 HydrophobicContact CD2-CE2 4.28Å; L67-Y82 HydrophobicContact CD2-CG 3.34Å; E73-Y82 WeakPolarHBondContact OE1-CE2 3.29Å; E73-Y82 VanDerWaalsContact OE2-CD2 3.3Å; E73-Y82 WeakPolarHBondContact OE2-CD2 3.43Å; E73-Y82 WeakPolarHBondContact OE2-CE2 3.31Å; I78-Y82 HydrophobicContact CG2-CD2 4.11Å; I78-Y82 HydrophobicContact CG2-CE1 4.38Å; I78-Y82 HydrophobicContact CG2-CE2 3.27Å; I78-Y82 VanDerWaalsContact CG2-CZ 3.41Å; I78-Y82 WeakPolarHBondContact CG2-OH 3.34Å; I78-Y82 WeakPolarHBondContact O-CD2 3.48Å; I78-Y82 PolarHBondContact O-N 3.31Å; R79-Y82 WeakPolarHBondContact O-CB 3.33Å; R79-Y82 PolarHBondContact O-N 2.87Å; R79-Y82 VanDerWaalsContact O-N 3.11Å; Y82-R84 VanDerWaalsContact C-N 3.35Å; Y82-R84 PolarHBondContact O-N 3.4Å; Y82-S85 PolarHBondContact O-N 2.88Å; Y82-S85 PolarHBondContact O-OG 3.36Å; Y82-G86 PolarHBondContact O-N 3.1Å |
| 83 | F | 92.1 | Very high | 87.4 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 177 | -65 | -9.4 | 0 | 0 | 0 | 112 | V20 R79 S85 F89 Q110 I111 V114 K115 | V20-F83 HydrophobicContact CG1-CE1 3.65Å; V20-F83 HydrophobicContact CG1-CZ 4.22Å; R79-F83 HydrophobicContact CG-CD2 4.14Å; R79-F83 HydrophobicContact CG-CE1 3.98Å; R79-F83 HydrophobicContact CG-CE2 3.54Å; R79-F83 HydrophobicContact CG-CZ 3.46Å; R79-F83 VanDerWaalsContact CG-CZ 3.46Å; R79-F83 WeakPolarHBondContact O-CG 3.25Å; R79-F83 PolarHBondContact O-N 3.46Å; F83-S85 VanDerWaalsContact C-N 3.34Å; F83-S85 PolarHBondContact O-N 3.32Å; F83-F89 HydrophobicContact CB-CE1 4.4Å; F83-F89 AromaticContact CD1-CE1 3.83Å; F83-F89 HydrophobicContact CD1-CE1 3.83Å; F83-F89 HydrophobicContact CG-CE1 4.38Å; F83-F89 WeakPolarHBondContact O-CZ 3.29Å; F83-Q110 HydrophobicContact CD2-CB 4.45Å; F83-Q110 HydrophobicContact CE2-CB 3.86Å; F83-I111 HydrophobicContact CD1-CG1 4.12Å; F83-I111 HydrophobicContact CD2-CG1 4.02Å; F83-I111 HydrophobicContact CE1-CG1 4.13Å; F83-I111 HydrophobicContact CE2-CG1 4.02Å; F83-I111 HydrophobicContact CG-CG1 4.06Å; F83-I111 HydrophobicContact CZ-CG1 4.07Å; F83-V114 HydrophobicContact CB-CB 4.06Å; F83-V114 HydrophobicContact CB-CG1 3.82Å; F83-V114 HydrophobicContact CD2-CG2 4.36Å; F83-K115 WeakPolarHBondContact O-CD 3.37Å; F83-K115 WeakPolarHBondContact O-CE 3.4Å; F83-K115 PolarHBondContact O-NZ 3.18Å |
| 84 | R | 93.6 | Very high | 89 | Confident | 135 Ų | 135 | 48 Ų | 48 | 51% | 0.509 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.7 | -39.1 | 176.5 | -165.7 | 175.1 | -62.1 | 99 | 5 | 112.2 | D80 N81 Y82 V114 K115 | D80-R84 VanDerWaalsContact O-CB 3.26Å; D80-R84 WeakPolarHBondContact O-CB 3.5Å; D80-R84 PolarHBondContact O-N 3.34Å; D80-R84 PolarHBondContact O-NH1 3.26Å; N81-R84 PolarHBondContact O-N 3Å; N81-R84 PolarHBondContact OD1-NH1 3.01Å; N81-R84 VanDerWaalsContact OD1-NH1 3.12Å; Y82-R84 VanDerWaalsContact C-N 3.35Å; Y82-R84 PolarHBondContact O-N 3.4Å; R84-V114 HydrophobicContact CB-CG1 4.04Å; R84-K115 PolarHBondContact O-NZ 3.01Å |
| 85 | S | 92.3 | Very high | 90.9 | Very high | 56 Ų | 56 | 40.9 Ų | 40.9 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -85.3 | -23.7 | -176.5 | 64.4 | 0 | 0 | 0 | 0 | 115.4 | K16 N81 Y82 F83 | K16-S85 VanDerWaalsContact CD-O 3.32Å; K16-S85 WeakPolarHBondContact CD-O 3.41Å; N81-S85 WeakPolarHBondContact O-CB 3.02Å; N81-S85 PolarHBondContact O-N 3.45Å; N81-S85 PolarHBondContact O-OG 3.46Å; Y82-S85 PolarHBondContact O-N 2.88Å; Y82-S85 PolarHBondContact O-OG 3.36Å; F83-S85 VanDerWaalsContact C-N 3.34Å; F83-S85 PolarHBondContact O-N 3.32Å |
| 86 | G | 95.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | trans | -65.8 | 144.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y82 K115 | Y82-G86 PolarHBondContact O-N 3.1Å; G86-K115 VanDerWaalsContact O-CE 3.26Å; G86-K115 WeakPolarHBondContact O-CE 3.48Å; G86-K115 PolarHBondContact O-NZ 3.38Å | ||
| 87 | E | 97.4 | Very high | 93.3 | Very high | 57 Ų | 57 | 35 Ų | 35 | 27% | 0.266 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -102.9 | -23.7 | 178.9 | -65.3 | 173.4 | 151.4 | 0 | 0 | 112.1 | H15 K16 P121 I175 K179 | H15-E87 WeakPolarHBondContact CA-OE2 3.5Å; K16-E87 HydrophobicContact CB-CB 4.3Å; K16-E87 HydrophobicContact CB-CG 4.04Å; K16-E87 HydrophobicContact CG-CG 4.5Å; K16-E87 PolarHBondContact N-OE2 3.26Å; K16-E87 WeakPolarHBondContact O-CA 3.37Å; K16-E87 WeakPolarHBondContact O-CB 3.24Å; K16-E87 PolarHBondContact O-N 2.81Å; E87-P121 WeakPolarHBondContact O-CD 3.14Å; E87-P121 WeakPolarHBondContact O-CG 3.24Å; E87-I175 HydrophobicContact CB-CD1 4.17Å; E87-I175 HydrophobicContact CB-CG1 4.26Å; E87-I175 HydrophobicContact CB-CG2 3.75Å; E87-K179 WeakPolarHBondContact OE1-CE 3.47Å; E87-K179 IonicContact OE1-NZ 2.81Å; E87-K179 PolarHBondContact OE1-NZ 3.38Å; E87-K179 VanDerWaalsContact OE2-CE 3.25Å; E87-K179 WeakPolarHBondContact OE2-CE 3.35Å; E87-K179 IonicContact OE2-NZ 2.95Å; E87-K179 PolarHBondContact OE2-NZ 3.03Å |
| 88 | G | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 162.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K16 V17 I18 P121 | K16-G88 PolarHBondContact O-N 3.41Å; K16-G88 VanDerWaalsContact O-N 3.09Å; V17-G88 WeakPolarHBondContact CA-O 3.46Å; I18-G88 PolarHBondContact N-O 3.15Å; G88-P121 VanDerWaalsContact CA-O 3.27Å; G88-P121 WeakPolarHBondContact CA-O 3.48Å |
| 89 | F | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.7 | -170.3 | -59 | -89.8 | 0 | 0 | 0 | 111.3 | I18 V20 F83 I111 K115 P121 F122 L123 | I18-F89 HydrophobicContact CB-CD1 3.79Å; I18-F89 HydrophobicContact CB-CE1 3.92Å; I18-F89 HydrophobicContact CG1-CD1 4.22Å; I18-F89 HydrophobicContact CG1-CE1 3.88Å; I18-F89 HydrophobicContact CG2-CD1 4.4Å; I18-F89 HydrophobicContact CG2-CE1 4.44Å; I18-F89 WeakPolarHBondContact O-CA 3.41Å; V20-F89 HydrophobicContact CG1-CD1 4.44Å; F83-F89 HydrophobicContact CB-CE1 4.4Å; F83-F89 AromaticContact CD1-CE1 3.83Å; F83-F89 HydrophobicContact CD1-CE1 3.83Å; F83-F89 HydrophobicContact CG-CE1 4.38Å; F83-F89 WeakPolarHBondContact O-CZ 3.29Å; F89-I111 HydrophobicContact CB-CD1 4.04Å; F89-I111 HydrophobicContact CD1-CD1 3.51Å; F89-I111 HydrophobicContact CD1-CG1 3.91Å; F89-I111 HydrophobicContact CD1-CG2 4.27Å; F89-I111 HydrophobicContact CD2-CD1 4.49Å; F89-I111 HydrophobicContact CD2-CG2 3.74Å; F89-I111 HydrophobicContact CE1-CD1 4.1Å; F89-I111 HydrophobicContact CE1-CG1 3.97Å; F89-I111 HydrophobicContact CE1-CG2 4.15Å; F89-I111 HydrophobicContact CE2-CG2 3.6Å; F89-I111 HydrophobicContact CG-CD1 3.75Å; F89-I111 HydrophobicContact CG-CG1 4.36Å; F89-I111 HydrophobicContact CG-CG2 4.09Å; F89-I111 HydrophobicContact CZ-CG1 4.45Å; F89-I111 HydrophobicContact CZ-CG2 3.81Å; F89-K115 HydrophobicContact CE2-CG 4.31Å; F89-K115 HydrophobicContact CZ-CG 4.49Å; F89-P121 PolarHBondContact N-O 3.07Å; F89-F122 HydrophobicContact CB-CD2 3.82Å; F89-F122 HydrophobicContact CB-CE2 4.38Å; F89-F122 WeakPolarHBondContact O-CA 3.23Å; F89-L123 PolarHBondContact O-N 3.02Å |
| 90 | L | 98.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 108.2 | 164.3 | -67.1 | -174.3 | 0 | 0 | 0 | 108.1 | V17 I18 M19 V20 V92 L123 V125 V167 F168 L171 | V17-L90 HydrophobicContact CG1-CD1 4.35Å; V17-L90 HydrophobicContact CG1-CG 4.13Å; I18-L90 PolarHBondContact O-N 3.11Å; M19-L90 HydrophobicContact CE-CB 4.29Å; M19-L90 HydrophobicContact CE-CD1 4.12Å; M19-L90 HydrophobicContact SD-CB 3.91Å; M19-L90 HydrophobicContact SD-CD1 3.79Å; M19-L90 HydrophobicContact SD-CG 4.26Å; V20-L90 PolarHBondContact N-O 3.42Å; L90-V92 HydrophobicContact CB-CG2 4.35Å; L90-V92 PolarHBondContact O-N 3.3Å; L90-L123 HydrophobicContact CD2-CB 3.73Å; L90-L123 HydrophobicContact CD2-CD2 4.3Å; L90-V125 HydrophobicContact CD2-CG2 4.14Å; L90-V167 HydrophobicContact CD1-CB 4.37Å; L90-V167 HydrophobicContact CD1-CG2 4.06Å; L90-V167 HydrophobicContact CD2-CB 4.18Å; L90-F168 HydrophobicContact CD1-CD1 3.66Å; L90-F168 HydrophobicContact CD1-CE1 3.51Å; L90-F168 HydrophobicContact CD1-CE2 4.42Å; L90-F168 HydrophobicContact CD1-CG 4.19Å; L90-F168 HydrophobicContact CD1-CZ 3.92Å; L90-L171 HydrophobicContact CD2-CB 4.03Å; L90-L171 HydrophobicContact CD2-CD2 3.65Å; L90-L171 HydrophobicContact CD2-CG 4.37Å; L90-L171 HydrophobicContact CG-CD2 3.68Å |
| 91 | C | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 99.5 | 177 | -171 | 0 | 0 | 0 | 0 | 109.6 | V20 F122 L123 V125 | V20-C91 HydrophobicContact CG2-CB 3.86Å; C91-F122 HydrophobicContact CB-CE1 3.7Å; C91-F122 HydrophobicContact CB-CE2 3.75Å; C91-F122 HydrophobicContact CB-CZ 3.16Å; C91-L123 PolarHBondContact N-O 3.09Å; C91-V125 PolarHBondContact O-N 3.37Å |
| 92 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.3 | -171.5 | -169.5 | 0 | 0 | 0 | 0 | 110.1 | M19 V20 G21 V25 K27 L30 L90 V125 N127 | M19-V92 HydrophobicContact CE-CG2 3.98Å; V20-V92 PolarHBondContact O-N 3.06Å; G21-V92 VanDerWaalsContact CA-O 3.28Å; G21-V92 WeakPolarHBondContact CA-O 3.35Å; V25-V92 HydrophobicContact CB-CG1 4.36Å; V25-V92 HydrophobicContact CG2-CB 4.02Å; V25-V92 HydrophobicContact CG2-CG1 3.92Å; K27-V92 HydrophobicContact CG-CB 4.28Å; K27-V92 HydrophobicContact CG-CG2 4.43Å; L30-V92 HydrophobicContact CD1-CG1 3.86Å; L30-V92 HydrophobicContact CD1-CG2 4.09Å; L90-V92 HydrophobicContact CB-CG2 4.35Å; L90-V92 PolarHBondContact O-N 3.3Å; V92-V125 WeakPolarHBondContact CA-O 3.26Å; V92-V125 HydrophobicContact CG2-CB 4.28Å; V92-N127 HydrophobicContact CG1-CB 3.8Å |
| 93 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 167.1 | 166 | 72.4 | -85.7 | 0 | 0 | 0 | 110 | I95 F101 T104 L124 V125 G126 N127 V137 A142 Y153 | F93-I95 HydrophobicContact CE2-CG2 4.1Å; F93-F101 HydrophobicContact CB-CB 4.43Å; F93-F101 AromaticContact CD1-CD2 3.91Å; F93-F101 HydrophobicContact CD1-CD2 3.91Å; F93-F101 HydrophobicContact CD2-CB 3.69Å; F93-F101 AromaticContact CD2-CD2 3.92Å; F93-F101 HydrophobicContact CD2-CD2 3.92Å; F93-F101 HydrophobicContact CD2-CG 4.21Å; F93-F101 AromaticContact CE1-CD2 3.76Å; F93-F101 HydrophobicContact CE1-CD2 3.76Å; F93-F101 HydrophobicContact CE1-CE2 4.16Å; F93-F101 HydrophobicContact CE2-CB 4.12Å; F93-F101 AromaticContact CE2-CD2 3.8Å; F93-F101 HydrophobicContact CE2-CD2 3.8Å; F93-F101 HydrophobicContact CE2-CG 4.23Å; F93-F101 HydrophobicContact CG-CB 4.09Å; F93-F101 AromaticContact CG-CD2 3.98Å; F93-F101 HydrophobicContact CG-CD2 3.98Å; F93-F101 AromaticContact CZ-CD2 3.71Å; F93-F101 HydrophobicContact CZ-CD2 3.71Å; F93-F101 HydrophobicContact CZ-CE2 4.13Å; F93-T104 HydrophobicContact CB-CG2 3.84Å; F93-T104 HydrophobicContact CD1-CG2 4.12Å; F93-T104 HydrophobicContact CG-CG2 4.31Å; F93-L124 HydrophobicContact CD1-CD1 3.83Å; F93-L124 HydrophobicContact CD1-CG 4.42Å; F93-L124 HydrophobicContact CE1-CD1 3.91Å; F93-L124 HydrophobicContact CE1-CG 4Å; F93-V125 VanDerWaalsContact CD1-O 3.25Å; F93-V125 WeakPolarHBondContact CD1-O 3.04Å; F93-V125 PolarHBondContact N-O 2.9Å; F93-G126 VanDerWaalsContact CE1-CA 3.49Å; F93-G126 VanDerWaalsContact CZ-CA 3.48Å; F93-N127 PolarHBondContact O-N 2.77Å; F93-V137 HydrophobicContact CE2-CB 3.99Å; F93-V137 HydrophobicContact CE2-CG1 3.74Å; F93-V137 HydrophobicContact CE2-CG2 4.23Å; F93-V137 HydrophobicContact CZ-CG1 4.21Å; F93-A142 HydrophobicContact CZ-CB 3.95Å; F93-Y153 HydrophobicContact CE1-CD2 4.5Å; F93-Y153 AromaticContact CE1-CE2 3.76Å; F93-Y153 HydrophobicContact CE1-CE2 3.76Å; F93-Y153 AromaticContact CZ-CE2 3.74Å; F93-Y153 HydrophobicContact CZ-CE2 3.74Å |
| 94 | S | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 126.5 | 174.5 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | T96 E97 S100 K128 | S94-T96 PolarHBondContact O-N 3.33Å; S94-T96 PolarHBondContact OG-OG1 2.96Å; S94-E97 PolarHBondContact O-N 2.77Å; S94-S100 PolarHBondContact N-OG 3.11Å; S94-S100 PolarHBondContact O-OG 2.99Å; S94-K128 VanDerWaalsContact OG-CD 3.27Å; S94-K128 WeakPolarHBondContact OG-CD 3.46Å; S94-K128 WeakPolarHBondContact OG-CE 3.35Å; S94-K128 PolarHBondContact OG-NZ 3.08Å |
| 95 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17.9 | 177.2 | 65.8 | 159 | 0 | 0 | 0 | 112.7 | F93 N127 K128 R135 Q136 V137 | F93-I95 HydrophobicContact CE2-CG2 4.1Å; I95-N127 PolarHBondContact N-O 2.52Å; I95-K128 WeakPolarHBondContact CD1-O 3.3Å; I95-K128 WeakPolarHBondContact CG1-O 3.23Å; I95-R135 HydrophobicContact CD1-CB 4.43Å; I95-R135 HydrophobicContact CD1-CG 4.43Å; I95-Q136 PolarHBondContact O-N 3.23Å; I95-V137 PolarHBondContact O-N 2.9Å |
| 96 | T | 98.4 | Very high | 97.7 | Very high | 25 Ų | 25 | 27.4 Ų | 27.4 | 15% | 0.153 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5 | 179.2 | 73.2 | 0 | 0 | 0 | 0 | 113.9 | S94 L131 R134 Q136 | S94-T96 PolarHBondContact O-N 3.33Å; S94-T96 PolarHBondContact OG-OG1 2.96Å; T96-L131 HydrophobicContact CG2-CB 3.66Å; T96-L131 HydrophobicContact CG2-CD1 4.08Å; T96-R134 VanDerWaalsContact CA-O 3.32Å; T96-R134 WeakPolarHBondContact CA-O 3.46Å; T96-R134 WeakPolarHBondContact CB-O 3.39Å; T96-R134 HydrophobicContact CG2-CB 3.9Å; T96-Q136 PolarHBondContact O-NE2 2.97Å; T96-Q136 VanDerWaalsContact O-NE2 3.09Å; T96-Q136 PolarHBondContact O-OE1 2.8Å |
| 97 | E | 98 | Very high | 97.7 | Very high | 69 Ų | 69 | 28.8 Ų | 28.8 | 32% | 0.322 | 17% | 0.167 | S | C | . | . | trans | -144.2 | 97.6 | -173.8 | -174.5 | 179.1 | -159.3 | 0 | 0 | 110.3 | S94 E99 S100 F101 | S94-E97 PolarHBondContact O-N 2.77Å; E97-E99 VanDerWaalsContact C-N 3.27Å; E97-E99 PolarHBondContact O-N 2.96Å; E97-S100 WeakPolarHBondContact O-CB 3.41Å; E97-S100 PolarHBondContact O-N 2.9Å; E97-S100 VanDerWaalsContact O-N 3.1Å; E97-S100 PolarHBondContact O-OG 3.38Å; E97-F101 PolarHBondContact O-N 3Å | ||
| 98 | A | 98.1 | Very high | 97.6 | Very high | 45 Ų | 45 | 26.9 Ų | 26.9 | 37% | 0.372 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.9 | -33.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | S100 F101 A102 Q136 V137 | A98-S100 VanDerWaalsContact C-N 3.31Å; A98-S100 PolarHBondContact O-N 3.19Å; A98-F101 WeakPolarHBondContact O-CB 3.45Å; A98-F101 PolarHBondContact O-N 2.97Å; A98-A102 PolarHBondContact O-N 3.19Å; A98-Q136 HydrophobicContact CB-CB 4.28Å; A98-Q136 VanDerWaalsContact N-OE1 3.09Å; A98-V137 HydrophobicContact CB-CG2 4.4Å |
| 99 | E | 97.8 | Very high | 97.4 | Very high | 158 Ų | 158 | 32.9 Ų | 32.9 | 74% | 0.738 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -62.1 | -38.6 | 176.2 | -65 | -175.3 | -178.2 | 0 | 0 | 111.9 | E97 F101 A102 A103 | E97-E99 VanDerWaalsContact C-N 3.27Å; E97-E99 PolarHBondContact O-N 2.96Å; E99-F101 VanDerWaalsContact C-N 3.28Å; E99-F101 PolarHBondContact O-N 2.88Å; E99-A102 PolarHBondContact O-N 3.05Å; E99-A103 PolarHBondContact O-N 2.99Å |
| 100 | S | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.8 | -35.3 | 176.5 | 79.4 | 0 | 0 | 0 | 0 | 112 | S94 E97 A98 | S94-S100 PolarHBondContact N-OG 3.11Å; S94-S100 PolarHBondContact O-OG 2.99Å; E97-S100 WeakPolarHBondContact O-CB 3.41Å; E97-S100 PolarHBondContact O-N 2.9Å; E97-S100 VanDerWaalsContact O-N 3.1Å; E97-S100 PolarHBondContact O-OG 3.38Å; A98-S100 VanDerWaalsContact C-N 3.31Å; A98-S100 PolarHBondContact O-N 3.19Å |
| 101 | F | 98.6 | Very high | 97 | Very high | 7 Ų | 7 | 34.8 Ų | 34.8 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.8 | -47.5 | 173 | 177.7 | -120.3 | 0 | 0 | 0 | 110.5 | F93 E97 A98 E99 A103 T104 L124 V137 E141 A142 R145 | F93-F101 HydrophobicContact CB-CB 4.43Å; F93-F101 AromaticContact CD1-CD2 3.91Å; F93-F101 HydrophobicContact CD1-CD2 3.91Å; F93-F101 HydrophobicContact CD2-CB 3.69Å; F93-F101 AromaticContact CD2-CD2 3.92Å; F93-F101 HydrophobicContact CD2-CD2 3.92Å; F93-F101 HydrophobicContact CD2-CG 4.21Å; F93-F101 AromaticContact CE1-CD2 3.76Å; F93-F101 HydrophobicContact CE1-CD2 3.76Å; F93-F101 HydrophobicContact CE1-CE2 4.16Å; F93-F101 HydrophobicContact CE2-CB 4.12Å; F93-F101 AromaticContact CE2-CD2 3.8Å; F93-F101 HydrophobicContact CE2-CD2 3.8Å; F93-F101 HydrophobicContact CE2-CG 4.23Å; F93-F101 HydrophobicContact CG-CB 4.09Å; F93-F101 AromaticContact CG-CD2 3.98Å; F93-F101 HydrophobicContact CG-CD2 3.98Å; F93-F101 AromaticContact CZ-CD2 3.71Å; F93-F101 HydrophobicContact CZ-CD2 3.71Å; F93-F101 HydrophobicContact CZ-CE2 4.13Å; E97-F101 PolarHBondContact O-N 3Å; A98-F101 WeakPolarHBondContact O-CB 3.45Å; A98-F101 PolarHBondContact O-N 2.97Å; E99-F101 VanDerWaalsContact C-N 3.28Å; E99-F101 PolarHBondContact O-N 2.88Å; F101-A103 VanDerWaalsContact C-N 3.27Å; F101-A103 PolarHBondContact O-N 2.87Å; F101-T104 WeakPolarHBondContact O-CB 3.32Å; F101-T104 WeakPolarHBondContact O-CG2 3.38Å; F101-T104 PolarHBondContact O-N 3.01Å; F101-T104 PolarHBondContact O-OG1 3.02Å; F101-L124 HydrophobicContact CE2-CD2 4.28Å; F101-V137 HydrophobicContact CB-CG1 4.21Å; F101-V137 HydrophobicContact CB-CG2 3.72Å; F101-V137 HydrophobicContact CD1-CG1 3.73Å; F101-V137 HydrophobicContact CD1-CG2 4.32Å; F101-V137 HydrophobicContact CD2-CG1 4.1Å; F101-V137 HydrophobicContact CE1-CG1 4.03Å; F101-V137 HydrophobicContact CE2-CG1 4.37Å; F101-V137 HydrophobicContact CG-CG1 3.77Å; F101-V137 HydrophobicContact CG-CG2 4.18Å; F101-V137 HydrophobicContact CZ-CG1 4.34Å; F101-E141 HydrophobicContact CE1-CG 3.79Å; F101-E141 HydrophobicContact CZ-CG 4.13Å; F101-A142 HydrophobicContact CE2-CB 3.98Å; F101-A142 HydrophobicContact CZ-CB 4.21Å; F101-R145 HydrophobicContact CE2-CB 4.5Å; F101-R145 HydrophobicContact CZ-CB 4.04Å; F101-R145 VanDerWaalsContact CZ-NE 3.29Å; F101-R145 PolarHBondContact O-NH1 2.85Å |
| 102 | A | 98 | Very high | 96.8 | Very high | 56 Ų | 56 | 36.7 Ų | 36.7 | 46% | 0.463 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -53.6 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A98 E99 T104 A105 | A98-A102 PolarHBondContact O-N 3.19Å; E99-A102 PolarHBondContact O-N 3.05Å; A102-T104 PolarHBondContact O-N 3.01Å; A102-T104 VanDerWaalsContact O-N 3.13Å; A102-A105 PolarHBondContact O-N 3.46Å |
| 103 | A | 96.7 | Very high | 96.6 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -19 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S22 E99 F101 A105 D106 F107 | S22-A103 WeakPolarHBondContact OG-CB 3.46Å; E99-A103 PolarHBondContact O-N 2.99Å; F101-A103 VanDerWaalsContact C-N 3.27Å; F101-A103 PolarHBondContact O-N 2.87Å; A103-A105 PolarHBondContact O-N 3.45Å; A103-D106 PolarHBondContact O-N 2.84Å; A103-D106 VanDerWaalsContact O-N 3.15Å; A103-F107 HydrophobicContact CB-CE2 4.3Å; A103-F107 WeakPolarHBondContact O-CD2 3.47Å; A103-F107 PolarHBondContact O-N 2.79Å |
| 104 | T | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -29.6 | 177.5 | 60.5 | 0 | 0 | 0 | 0 | 113 | F93 F101 A102 F107 R108 L124 R145 W149 | F93-T104 HydrophobicContact CB-CG2 3.84Å; F93-T104 HydrophobicContact CD1-CG2 4.12Å; F93-T104 HydrophobicContact CG-CG2 4.31Å; F101-T104 WeakPolarHBondContact O-CB 3.32Å; F101-T104 WeakPolarHBondContact O-CG2 3.38Å; F101-T104 PolarHBondContact O-N 3.01Å; F101-T104 PolarHBondContact O-OG1 3.02Å; A102-T104 PolarHBondContact O-N 3.01Å; A102-T104 VanDerWaalsContact O-N 3.13Å; T104-F107 PolarHBondContact O-N 3.33Å; T104-R108 WeakPolarHBondContact O-CB 3.31Å; T104-R108 PolarHBondContact O-N 2.63Å; T104-L124 HydrophobicContact CG2-CD1 3.97Å; T104-R145 PolarHBondContact OG1-NH1 2.9Å; T104-W149 WeakPolarHBondContact OG1-CH2 3.34Å |
| 105 | A | 97.2 | Very high | 96.1 | Very high | 42 Ų | 42 | 46.6 Ų | 46.6 | 35% | 0.347 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.7 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | A102 A103 F107 R108 E109 W149 | A102-A105 PolarHBondContact O-N 3.46Å; A103-A105 PolarHBondContact O-N 3.45Å; A105-F107 PolarHBondContact O-N 3.14Å; A105-R108 WeakPolarHBondContact O-CB 3.29Å; A105-R108 PolarHBondContact O-N 3.29Å; A105-E109 PolarHBondContact O-N 3.22Å; A105-W149 HydrophobicContact CB-CZ2 4.24Å |
| 106 | D | 94.8 | Very high | 95.8 | Very high | 93 Ų | 93 | 55.3 Ų | 55.3 | 50% | 0.497 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 179.4 | -61.1 | -16.9 | 0 | 0 | 0 | 111.1 | A103 R108 E109 Q110 | A103-D106 PolarHBondContact O-N 2.84Å; A103-D106 VanDerWaalsContact O-N 3.15Å; D106-R108 VanDerWaalsContact C-N 3.35Å; D106-R108 PolarHBondContact O-N 3.02Å; D106-E109 PolarHBondContact O-N 3.23Å; D106-Q110 WeakPolarHBondContact O-CB 3.48Å; D106-Q110 WeakPolarHBondContact O-CG 3.25Å; D106-Q110 PolarHBondContact O-N 3.3Å |
| 107 | F | 94.7 | Very high | 95.3 | Very high | 30 Ų | 30 | 56.1 Ų | 56.1 | 13% | 0.132 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.7 | -70.9 | -67.2 | 0 | 0 | 0 | 111.4 | V20 G21 A103 T104 A105 Q110 I111 | V20-F107 HydrophobicContact CB-CD1 4.04Å; V20-F107 HydrophobicContact CB-CG 4.33Å; V20-F107 HydrophobicContact CG2-CB 4.2Å; V20-F107 HydrophobicContact CG2-CG 4.42Å; G21-F107 VanDerWaalsContact C-CE2 3.47Å; G21-F107 VanDerWaalsContact C-CZ 3.45Å; G21-F107 VanDerWaalsContact CA-CE2 3.43Å; A103-F107 HydrophobicContact CB-CE2 4.3Å; A103-F107 WeakPolarHBondContact O-CD2 3.47Å; A103-F107 PolarHBondContact O-N 2.79Å; T104-F107 PolarHBondContact O-N 3.33Å; A105-F107 PolarHBondContact O-N 3.14Å; F107-Q110 PolarHBondContact O-N 2.89Å; F107-I111 WeakPolarHBondContact O-CB 3.1Å; F107-I111 WeakPolarHBondContact O-CD1 3.43Å; F107-I111 VanDerWaalsContact O-CG1 3.22Å; F107-I111 WeakPolarHBondContact O-CG1 3.26Å; F107-I111 PolarHBondContact O-N 2.91Å |
| 108 | R | 95.4 | Very high | 94.6 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 6% | 0.064 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60 | -50.3 | 177.1 | 179.7 | 65.5 | 175.3 | 169 | 5.6 | 110.8 | T104 A105 D106 Q110 I111 L112 E118 F122 W149 | T104-R108 WeakPolarHBondContact O-CB 3.31Å; T104-R108 PolarHBondContact O-N 2.63Å; A105-R108 WeakPolarHBondContact O-CB 3.29Å; A105-R108 PolarHBondContact O-N 3.29Å; D106-R108 VanDerWaalsContact C-N 3.35Å; D106-R108 PolarHBondContact O-N 3.02Å; R108-Q110 PolarHBondContact O-N 3.18Å; R108-I111 PolarHBondContact O-N 3.02Å; R108-L112 HydrophobicContact CG-CD1 4.21Å; R108-L112 HydrophobicContact CG-CG 4.42Å; R108-L112 VanDerWaalsContact O-CG 3.3Å; R108-L112 WeakPolarHBondContact O-CG 3.22Å; R108-L112 PolarHBondContact O-N 3.35Å; R108-E118 PolarHBondContact NH2-O 3.31Å; R108-F122 HydrophobicContact CB-CE2 4.35Å; R108-F122 HydrophobicContact CB-CZ 4.17Å; R108-F122 HydrophobicContact CG-CZ 4.46Å; R108-W149 HydrophobicContact CB-CH2 4.19Å; R108-W149 HydrophobicContact CB-CZ2 4.37Å; R108-W149 HydrophobicContact CB-CZ3 4.37Å; R108-W149 HydrophobicContact CG-CD2 4.32Å; R108-W149 HydrophobicContact CG-CE3 4.42Å |
| 109 | E | 94.8 | Very high | 94.1 | Very high | 126 Ų | 126 | 61.9 Ų | 61.9 | 59% | 0.589 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.4 | -46.6 | 179.9 | -171.9 | -172.8 | 168.2 | 0 | 0 | 111.7 | A105 D106 I111 L112 R113 | A105-E109 PolarHBondContact O-N 3.22Å; D106-E109 PolarHBondContact O-N 3.23Å; E109-I111 PolarHBondContact O-N 3.49Å; E109-L112 PolarHBondContact O-N 3.43Å; E109-R113 WeakPolarHBondContact O-CB 3.3Å; E109-R113 PolarHBondContact O-N 2.89Å |
| 110 | Q | 93.1 | Very high | 93.7 | Very high | 42 Ų | 42 | 54.6 Ų | 54.6 | 20% | 0.196 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 179.2 | -69.4 | 174.4 | 8.2 | 0 | 0 | 112.3 | F83 D106 F107 R108 R113 V114 | F83-Q110 HydrophobicContact CD2-CB 4.45Å; F83-Q110 HydrophobicContact CE2-CB 3.86Å; D106-Q110 WeakPolarHBondContact O-CB 3.48Å; D106-Q110 WeakPolarHBondContact O-CG 3.25Å; D106-Q110 PolarHBondContact O-N 3.3Å; F107-Q110 PolarHBondContact O-N 2.89Å; R108-Q110 PolarHBondContact O-N 3.18Å; Q110-R113 PolarHBondContact O-N 3.31Å; Q110-V114 WeakPolarHBondContact O-CG2 3.47Å; Q110-V114 PolarHBondContact O-N 3.14Å |
| 111 | I | 94.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.2 | -50.4 | 176.4 | -72.1 | 162.3 | 0 | 0 | 0 | 109.9 | V20 F83 F89 F107 R108 E109 R113 V114 K115 F122 | V20-I111 HydrophobicContact CG1-CD1 4.31Å; V20-I111 HydrophobicContact CG2-CD1 4.01Å; F83-I111 HydrophobicContact CD1-CG1 4.12Å; F83-I111 HydrophobicContact CD2-CG1 4.02Å; F83-I111 HydrophobicContact CE1-CG1 4.13Å; F83-I111 HydrophobicContact CE2-CG1 4.02Å; F83-I111 HydrophobicContact CG-CG1 4.06Å; F83-I111 HydrophobicContact CZ-CG1 4.07Å; F89-I111 HydrophobicContact CB-CD1 4.04Å; F89-I111 HydrophobicContact CD1-CD1 3.51Å; F89-I111 HydrophobicContact CD1-CG1 3.91Å; F89-I111 HydrophobicContact CD1-CG2 4.27Å; F89-I111 HydrophobicContact CD2-CD1 4.49Å; F89-I111 HydrophobicContact CD2-CG2 3.74Å; F89-I111 HydrophobicContact CE1-CD1 4.1Å; F89-I111 HydrophobicContact CE1-CG1 3.97Å; F89-I111 HydrophobicContact CE1-CG2 4.15Å; F89-I111 HydrophobicContact CE2-CG2 3.6Å; F89-I111 HydrophobicContact CG-CD1 3.75Å; F89-I111 HydrophobicContact CG-CG1 4.36Å; F89-I111 HydrophobicContact CG-CG2 4.09Å; F89-I111 HydrophobicContact CZ-CG1 4.45Å; F89-I111 HydrophobicContact CZ-CG2 3.81Å; F107-I111 WeakPolarHBondContact O-CB 3.1Å; F107-I111 WeakPolarHBondContact O-CD1 3.43Å; F107-I111 VanDerWaalsContact O-CG1 3.22Å; F107-I111 WeakPolarHBondContact O-CG1 3.26Å; F107-I111 PolarHBondContact O-N 2.91Å; R108-I111 PolarHBondContact O-N 3.02Å; E109-I111 PolarHBondContact O-N 3.49Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 3.48Å; I111-V114 PolarHBondContact O-N 3.44Å; I111-K115 HydrophobicContact CG2-CG 4.07Å; I111-K115 VanDerWaalsContact O-CB 3.25Å; I111-K115 WeakPolarHBondContact O-CB 3.42Å; I111-K115 VanDerWaalsContact O-CG 3.31Å; I111-K115 WeakPolarHBondContact O-CG 3.46Å; I111-K115 PolarHBondContact O-N 2.85Å; I111-F122 HydrophobicContact CD1-CD2 4.36Å; I111-F122 HydrophobicContact CD1-CE2 3.94Å |
| 112 | L | 93.9 | Very high | 93.7 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 21% | 0.209 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.9 | -41.8 | -179.1 | -68.9 | -171.8 | 0 | 0 | 0 | 111.9 | R108 E109 V114 K115 E116 D117 | R108-L112 HydrophobicContact CG-CD1 4.21Å; R108-L112 HydrophobicContact CG-CG 4.42Å; R108-L112 VanDerWaalsContact O-CG 3.3Å; R108-L112 WeakPolarHBondContact O-CG 3.22Å; R108-L112 PolarHBondContact O-N 3.35Å; E109-L112 PolarHBondContact O-N 3.43Å; L112-V114 PolarHBondContact O-N 3.03Å; L112-K115 PolarHBondContact O-N 3.1Å; L112-E116 WeakPolarHBondContact O-CA 3.27Å; L112-E116 PolarHBondContact O-N 2.93Å; L112-D117 VanDerWaalsContact CD2-O 3.23Å; L112-D117 WeakPolarHBondContact CD2-O 3.38Å |
| 113 | R | 94.2 | Very high | 93.7 | Very high | 138 Ų | 138 | 51.9 Ų | 51.9 | 52% | 0.521 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 176.3 | -172.9 | -173.4 | 72.8 | -145.1 | 2.3 | 112.2 | E109 Q110 I111 | E109-R113 WeakPolarHBondContact O-CB 3.3Å; E109-R113 PolarHBondContact O-N 2.89Å; Q110-R113 PolarHBondContact O-N 3.31Å; I111-R113 VanDerWaalsContact C-N 3.32Å; I111-R113 PolarHBondContact O-N 3.48Å |
| 114 | V | 94.1 | Very high | 93.8 | Very high | 18 Ų | 18 | 51 Ų | 51 | 11% | 0.109 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -76.8 | -31.3 | -178.5 | 175 | 0 | 0 | 0 | 0 | 112 | D80 F83 R84 Q110 I111 L112 | D80-V114 HydrophobicContact CB-CG1 4.5Å; D80-V114 HydrophobicContact CB-CG2 4.2Å; D80-V114 WeakPolarHBondContact O-CG1 3.35Å; D80-V114 WeakPolarHBondContact OD1-CG2 3.29Å; F83-V114 HydrophobicContact CB-CB 4.06Å; F83-V114 HydrophobicContact CB-CG1 3.82Å; F83-V114 HydrophobicContact CD2-CG2 4.36Å; R84-V114 HydrophobicContact CB-CG1 4.04Å; Q110-V114 WeakPolarHBondContact O-CG2 3.47Å; Q110-V114 PolarHBondContact O-N 3.14Å; I111-V114 PolarHBondContact O-N 3.44Å; L112-V114 PolarHBondContact O-N 3.03Å |
| 115 | K | 92.3 | Very high | 93.9 | Very high | 52 Ų | 52 | 51 Ų | 51 | 23% | 0.226 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -78.5 | -26.7 | 177.5 | -75.1 | -52.5 | -155.9 | -170.1 | 0 | 113.9 | F83 R84 G86 F89 I111 L112 D117 A120 | F83-K115 WeakPolarHBondContact O-CD 3.37Å; F83-K115 WeakPolarHBondContact O-CE 3.4Å; F83-K115 PolarHBondContact O-NZ 3.18Å; R84-K115 PolarHBondContact O-NZ 3.01Å; G86-K115 VanDerWaalsContact O-CE 3.26Å; G86-K115 WeakPolarHBondContact O-CE 3.48Å; G86-K115 PolarHBondContact O-NZ 3.38Å; F89-K115 HydrophobicContact CE2-CG 4.31Å; F89-K115 HydrophobicContact CZ-CG 4.49Å; I111-K115 HydrophobicContact CG2-CG 4.07Å; I111-K115 VanDerWaalsContact O-CB 3.25Å; I111-K115 WeakPolarHBondContact O-CB 3.42Å; I111-K115 VanDerWaalsContact O-CG 3.31Å; I111-K115 WeakPolarHBondContact O-CG 3.46Å; I111-K115 PolarHBondContact O-N 2.85Å; L112-K115 PolarHBondContact O-N 3.1Å; K115-D117 HydrophobicContact CB-CB 4.2Å; K115-D117 PolarHBondContact O-N 2.91Å; K115-A120 HydrophobicContact CB-CB 4.5Å; K115-A120 HydrophobicContact CG-CB 4.23Å |
| 116 | E | 92.4 | Very high | 93.9 | Very high | 182 Ų | 182 | 49 Ų | 49 | 85% | 0.85 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 36.6 | -170.9 | -57.6 | 178.8 | 177.1 | 0 | 0 | 111.7 | L112 | L112-E116 WeakPolarHBondContact O-CA 3.27Å; L112-E116 PolarHBondContact O-N 2.93Å |
| 117 | D | 87.7 | Confident | 94.1 | Very high | 43 Ų | 43 | 44.7 Ų | 44.7 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | trans | -158.1 | 107.1 | -168.1 | 169.3 | 22.8 | 0 | 0 | 0 | 112.4 | L112 K115 S119 A120 R178 | L112-D117 VanDerWaalsContact CD2-O 3.23Å; L112-D117 WeakPolarHBondContact CD2-O 3.38Å; K115-D117 HydrophobicContact CB-CB 4.2Å; K115-D117 PolarHBondContact O-N 2.91Å; D117-S119 PolarHBondContact O-N 3Å; D117-S119 PolarHBondContact OD1-N 3.44Å; D117-S119 PolarHBondContact OD1-OG 3.37Å; D117-A120 PolarHBondContact O-N 2.97Å; D117-R178 IonicContact OD1-CZ 3.51Å; D117-R178 IonicContact OD1-NH2 2.92Å; D117-R178 PolarHBondContact OD1-NH2 3.13Å; D117-R178 IonicContact OD2-CZ 3.1Å; D117-R178 IonicContact OD2-NE 3.42Å; D117-R178 PolarHBondContact OD2-NE 3.02Å; D117-R178 IonicContact OD2-NH1 3.82Å; D117-R178 IonicContact OD2-NH2 2.57Å; D117-R178 PolarHBondContact OD2-NH2 2.84Å | ||
| 118 | E | 84.4 | Confident | 94.3 | Very high | 163 Ų | 163 | 46 Ų | 46 | 76% | 0.762 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -21 | -179.3 | -65 | -172.4 | 166.7 | 0 | 0 | 114 | R108 | R108-E118 PolarHBondContact NH2-O 3.31Š|
| 119 | S | 86.2 | Confident | 94.4 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 50% | 0.503 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 5 | -174.9 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | D117 R178 | D117-S119 PolarHBondContact O-N 3Å; D117-S119 PolarHBondContact OD1-N 3.44Å; D117-S119 PolarHBondContact OD1-OG 3.37Å; S119-R178 VanDerWaalsContact CB-NH1 3.28Å; S119-R178 PolarHBondContact O-NH1 3.48Å; S119-R178 VanDerWaalsContact OG-CZ 3.24Å; S119-R178 PolarHBondContact OG-NH1 3.05Å; S119-R178 PolarHBondContact OG-NH2 2.97Å |
| 120 | A | 90.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | trans | -49.6 | 130.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K115 D117 F122 | K115-A120 HydrophobicContact CB-CB 4.5Å; K115-A120 HydrophobicContact CG-CB 4.23Å; D117-A120 PolarHBondContact O-N 2.97Å; A120-F122 WeakPolarHBondContact O-CB 3.46Å; A120-F122 PolarHBondContact O-N 2.93Å | ||
| 121 | P | 97.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.045 | 22% | 0.218 | C | C | . | . | trans | -53.9 | 123.5 | -177.2 | -28.5 | 37.1 | 0 | 0 | 0 | 111.3 | E87 G88 F89 L171 E174 I175 R178 | E87-P121 WeakPolarHBondContact O-CD 3.14Å; E87-P121 WeakPolarHBondContact O-CG 3.24Å; G88-P121 VanDerWaalsContact CA-O 3.27Å; G88-P121 WeakPolarHBondContact CA-O 3.48Å; F89-P121 PolarHBondContact N-O 3.07Å; P121-L171 HydrophobicContact CB-CD1 3.86Å; P121-E174 HydrophobicContact CB-CB 3.87Å; P121-E174 HydrophobicContact CG-CB 4.45Å; P121-I175 HydrophobicContact CB-CG1 3.91Å; P121-I175 HydrophobicContact CG-CG1 4.11Å; P121-R178 VanDerWaalsContact CD-CD 3.45Å; P121-R178 HydrophobicContact CG-CB 4.35Å | ||
| 122 | F | 97.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 127.1 | -166.4 | -174.2 | -77.1 | 0 | 0 | 0 | 110.1 | F89 C91 R108 I111 A120 W149 V151 E174 | F89-F122 HydrophobicContact CB-CD2 3.82Å; F89-F122 HydrophobicContact CB-CE2 4.38Å; F89-F122 WeakPolarHBondContact O-CA 3.23Å; C91-F122 HydrophobicContact CB-CE1 3.7Å; C91-F122 HydrophobicContact CB-CE2 3.75Å; C91-F122 HydrophobicContact CB-CZ 3.16Å; R108-F122 HydrophobicContact CB-CE2 4.35Å; R108-F122 HydrophobicContact CB-CZ 4.17Å; R108-F122 HydrophobicContact CG-CZ 4.46Å; I111-F122 HydrophobicContact CD1-CD2 4.36Å; I111-F122 HydrophobicContact CD1-CE2 3.94Å; A120-F122 WeakPolarHBondContact O-CB 3.46Å; A120-F122 PolarHBondContact O-N 2.93Å; F122-W149 AromaticContact CE1-CE3 3.98Å; F122-W149 HydrophobicContact CE1-CE3 3.98Å; F122-W149 AromaticContact CE1-CZ3 3.96Å; F122-W149 HydrophobicContact CE1-CZ3 3.96Å; F122-W149 HydrophobicContact CZ-CE3 4.48Å; F122-W149 HydrophobicContact CZ-CZ3 4.15Å; F122-V151 HydrophobicContact CB-CG1 4.16Å; F122-V151 HydrophobicContact CD1-CB 4.2Å; F122-V151 HydrophobicContact CD1-CG1 3.89Å; F122-V151 HydrophobicContact CD1-CG2 4.09Å; F122-V151 HydrophobicContact CE1-CG2 4.43Å; F122-V151 HydrophobicContact CG-CG1 4.42Å; F122-V151 WeakPolarHBondContact O-CB 3.29Å; F122-E174 PolarHBondContact N-OE2 3.28Å |
| 123 | L | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 136 | 172.2 | -93.8 | 69.5 | 0 | 0 | 0 | 110 | F89 L90 C91 V125 C152 V167 D170 L171 E174 | F89-L123 PolarHBondContact O-N 3.02Å; L90-L123 HydrophobicContact CD2-CB 3.73Å; L90-L123 HydrophobicContact CD2-CD2 4.3Å; C91-L123 PolarHBondContact N-O 3.09Å; L123-V125 HydrophobicContact CB-CG2 4.32Å; L123-C152 HydrophobicContact CG-CB 4.16Å; L123-V167 HydrophobicContact CD2-CB 4.33Å; L123-V167 HydrophobicContact CD2-CG1 4.48Å; L123-D170 HydrophobicContact CD2-CB 4.01Å; L123-L171 HydrophobicContact CD1-CB 4.19Å; L123-L171 HydrophobicContact CD1-CD1 4.01Å; L123-E174 VanDerWaalsContact CD1-OE1 3.28Å; L123-E174 WeakPolarHBondContact CD1-OE1 3.2Å |
| 124 | L | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 124.8 | 168.7 | -177.8 | 61.3 | 0 | 0 | 0 | 109.1 | F93 F101 T104 R145 A146 W149 V151 C152 Y153 V154 | F93-L124 HydrophobicContact CD1-CD1 3.83Å; F93-L124 HydrophobicContact CD1-CG 4.42Å; F93-L124 HydrophobicContact CE1-CD1 3.91Å; F93-L124 HydrophobicContact CE1-CG 4Å; F101-L124 HydrophobicContact CE2-CD2 4.28Å; T104-L124 HydrophobicContact CG2-CD1 3.97Å; L124-R145 HydrophobicContact CD2-CG 4.49Å; L124-A146 HydrophobicContact CD2-CB 4.14Å; L124-W149 HydrophobicContact CD1-CZ3 4.13Å; L124-W149 HydrophobicContact CD2-CZ3 4.33Å; L124-V151 HydrophobicContact CB-CG2 4.38Å; L124-C152 PolarHBondContact N-O 2.76Å; L124-Y153 HydrophobicContact CB-CD2 4.34Å; L124-Y153 HydrophobicContact CD2-CD2 4.19Å; L124-Y153 HydrophobicContact CG-CD2 3.99Å; L124-Y153 WeakPolarHBondContact O-CA 2.96Å; L124-Y153 WeakPolarHBondContact O-CD2 3.31Å; L124-V154 PolarHBondContact O-N 3.41Å |
| 125 | V | 98.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 113.3 | -171.6 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | L30 L90 C91 V92 F93 L123 V154 T156 V167 | L30-V125 HydrophobicContact CD1-CG1 4.31Å; L90-V125 HydrophobicContact CD2-CG2 4.14Å; C91-V125 PolarHBondContact O-N 3.37Å; V92-V125 WeakPolarHBondContact CA-O 3.26Å; V92-V125 HydrophobicContact CG2-CB 4.28Å; F93-V125 VanDerWaalsContact CD1-O 3.25Å; F93-V125 WeakPolarHBondContact CD1-O 3.04Å; F93-V125 PolarHBondContact N-O 2.9Å; L123-V125 HydrophobicContact CB-CG2 4.32Å; V125-V154 WeakPolarHBondContact CA-O 3.48Å; V125-T156 HydrophobicContact CG1-CG2 3.67Å; V125-T156 VanDerWaalsContact CG1-OG1 3.31Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.42Å; V125-V167 HydrophobicContact CG1-CG1 4.31Å; V125-V167 HydrophobicContact CG2-CB 4.27Å; V125-V167 HydrophobicContact CG2-CG1 3.95Å |
| 126 | G | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 97.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F93 V154 E155 T156 | F93-G126 VanDerWaalsContact CE1-CA 3.49Å; F93-G126 VanDerWaalsContact CZ-CA 3.48Å; G126-V154 PolarHBondContact N-O 2.57Å; G126-E155 CarbonylContact O-C 3.53Å; G126-E155 WeakPolarHBondContact O-CA 3.5Å; G126-T156 PolarHBondContact O-N 3.21Å |
| 127 | N | 98.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 165.3 | -178 | -170.2 | 33.5 | 0 | 0 | 0 | 112.1 | V25 L30 V92 F93 I95 T156 A158 | V25-N127 PolarHBondContact O-ND2 3.47Å; L30-N127 HydrophobicContact CD1-CB 4.3Å; V92-N127 HydrophobicContact CG1-CB 3.8Å; F93-N127 PolarHBondContact O-N 2.77Å; I95-N127 PolarHBondContact N-O 2.52Å; N127-T156 CarbonylContact C-O 3.54Å; N127-T156 VanDerWaalsContact CA-O 3.31Å; N127-T156 WeakPolarHBondContact CA-O 3.34Å; N127-T156 PolarHBondContact OD1-O 2.84Å; N127-T156 PolarHBondContact OD1-OG1 3.39Å; N127-A158 PolarHBondContact OD1-N 3.29Å |
| 128 | K | 98.1 | Very high | 96.6 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | trans | 70.2 | 37.2 | -177.8 | -43.8 | -171.6 | -164.2 | 169.7 | 0 | 113.3 | G24 S94 I95 D130 L131 T156 | G24-K128 WeakPolarHBondContact O-CE 3.33Å; G24-K128 PolarHBondContact O-NZ 2.85Å; S94-K128 VanDerWaalsContact OG-CD 3.27Å; S94-K128 WeakPolarHBondContact OG-CD 3.46Å; S94-K128 WeakPolarHBondContact OG-CE 3.35Å; S94-K128 PolarHBondContact OG-NZ 3.08Å; I95-K128 WeakPolarHBondContact CD1-O 3.3Å; I95-K128 WeakPolarHBondContact CG1-O 3.23Å; K128-D130 PolarHBondContact O-N 2.92Å; K128-D130 VanDerWaalsContact O-N 3.11Å; K128-L131 HydrophobicContact CB-CD1 4.1Å; K128-L131 HydrophobicContact CB-CG 4.34Å; K128-L131 HydrophobicContact CD-CD1 4.12Å; K128-L131 PolarHBondContact O-N 2.88Å; K128-T156 PolarHBondContact N-O 2.88Å | ||
| 129 | S | 98.4 | Very high | 97.2 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -13.7 | 175.2 | 64.4 | 0 | 0 | 0 | 0 | 114.3 | L131 T156 S157 | S129-L131 PolarHBondContact O-N 2.82Å; S129-T156 PolarHBondContact N-O 3.48Å; S129-T156 PolarHBondContact OG-O 2.69Å; S129-S157 WeakPolarHBondContact OG-CB 3.46Å |
| 130 | D | 98.1 | Very high | 97.7 | Very high | 58 Ų | 58 | 51.5 Ų | 51.5 | 31% | 0.31 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -14.8 | 169.7 | 56.5 | -74.6 | 0 | 0 | 0 | 113.8 | K128 S157 T160 | K128-D130 PolarHBondContact O-N 2.92Å; K128-D130 VanDerWaalsContact O-N 3.11Å; D130-S157 VanDerWaalsContact CG-OG 3.25Å; D130-S157 WeakPolarHBondContact OD1-CB 3.49Å; D130-S157 PolarHBondContact OD1-OG 2.62Å; D130-T160 HydrophobicContact CB-CG2 3.99Å |
| 131 | L | 97.1 | Very high | 98 | Very high | 58 Ų | 58 | 55.1 Ų | 55.1 | 30% | 0.304 | 27% | 0.27 | S | S | . | . | trans | -102.3 | 46.7 | -179.1 | -58.6 | -178.1 | 0 | 0 | 0 | 112.2 | T96 K128 S129 D133 R134 R135 | T96-L131 HydrophobicContact CG2-CB 3.66Å; T96-L131 HydrophobicContact CG2-CD1 4.08Å; K128-L131 HydrophobicContact CB-CD1 4.1Å; K128-L131 HydrophobicContact CB-CG 4.34Å; K128-L131 HydrophobicContact CD-CD1 4.12Å; K128-L131 PolarHBondContact O-N 2.88Å; S129-L131 PolarHBondContact O-N 2.82Å; L131-D133 VanDerWaalsContact C-N 3.28Å; L131-D133 PolarHBondContact O-N 3.19Å; L131-R134 PolarHBondContact O-N 3.23Å; L131-R135 PolarHBondContact O-N 3.18Å | ||
| 132 | E | 97.4 | Very high | 98.1 | Very high | 102 Ų | 102 | 54.8 Ų | 54.8 | 48% | 0.477 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -56.2 | -39 | -175.8 | -167.6 | 61.2 | -149.3 | 0 | 0 | 112.9 | R134 R135 | E132-R134 PolarHBondContact O-N 3.42Å; E132-R135 VanDerWaalsContact CD-NE 3.27Å; E132-R135 VanDerWaalsContact O-CB 3.23Å; E132-R135 WeakPolarHBondContact O-CB 3.26Å; E132-R135 PolarHBondContact O-N 2.87Å; E132-R135 WeakPolarHBondContact OE1-CD 3.34Å; E132-R135 IonicContact OE1-CZ 3.6Å; E132-R135 IonicContact OE1-NE 2.76Å; E132-R135 PolarHBondContact OE1-NE 2.83Å; E132-R135 IonicContact OE1-NH2 3.6Å; E132-R135 IonicContact OE2-CZ 3.36Å; E132-R135 IonicContact OE2-NE 3.13Å; E132-R135 PolarHBondContact OE2-NE 3.05Å; E132-R135 VanDerWaalsContact OE2-NE 3.13Å; E132-R135 IonicContact OE2-NH2 2.73Å; E132-R135 PolarHBondContact OE2-NH2 3.38Å |
| 133 | D | 97.8 | Very high | 98 | Very high | 173 Ų | 173 | 60.1 Ų | 60.1 | 93% | 0.925 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -62.7 | -15.9 | 178.1 | -61.3 | -38.4 | 0 | 0 | 0 | 113.8 | L131 | L131-D133 VanDerWaalsContact C-N 3.28Å; L131-D133 PolarHBondContact O-N 3.19Å |
| 134 | R | 97.8 | Very high | 98 | Very high | 174 Ų | 174 | 62.7 Ų | 62.7 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -111.5 | 11.6 | 179.4 | -58.7 | -175.7 | -176.4 | -178.8 | 1.9 | 112.4 | T96 L131 E132 Q136 | T96-R134 VanDerWaalsContact CA-O 3.32Å; T96-R134 WeakPolarHBondContact CA-O 3.46Å; T96-R134 WeakPolarHBondContact CB-O 3.39Å; T96-R134 HydrophobicContact CG2-CB 3.9Å; L131-R134 PolarHBondContact O-N 3.23Å; E132-R134 PolarHBondContact O-N 3.42Å; R134-Q136 PolarHBondContact O-N 3.11Å |
| 135 | R | 98.5 | Very high | 98 | Very high | 57 Ų | 57 | 65.3 Ų | 65.3 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | trans | -59.7 | 126.7 | -179.1 | -178 | 179.7 | -71.9 | -92 | 6.5 | 110.5 | I95 L131 E132 V137 E155 | I95-R135 HydrophobicContact CD1-CB 4.43Å; I95-R135 HydrophobicContact CD1-CG 4.43Å; L131-R135 PolarHBondContact O-N 3.18Å; E132-R135 VanDerWaalsContact CD-NE 3.27Å; E132-R135 VanDerWaalsContact O-CB 3.23Å; E132-R135 WeakPolarHBondContact O-CB 3.26Å; E132-R135 PolarHBondContact O-N 2.87Å; E132-R135 WeakPolarHBondContact OE1-CD 3.34Å; E132-R135 IonicContact OE1-CZ 3.6Å; E132-R135 IonicContact OE1-NE 2.76Å; E132-R135 PolarHBondContact OE1-NE 2.83Å; E132-R135 IonicContact OE1-NH2 3.6Å; E132-R135 IonicContact OE2-CZ 3.36Å; E132-R135 IonicContact OE2-NE 3.13Å; E132-R135 PolarHBondContact OE2-NE 3.05Å; E132-R135 VanDerWaalsContact OE2-NE 3.13Å; E132-R135 IonicContact OE2-NH2 2.73Å; E132-R135 PolarHBondContact OE2-NH2 3.38Å; R135-V137 VanDerWaalsContact CD-O 3.24Å; R135-V137 WeakPolarHBondContact CD-O 3.49Å; R135-V137 WeakPolarHBondContact CG-O 3.21Å; R135-V137 PolarHBondContact NH1-O 3.44Å; R135-E155 IonicContact CZ-OE1 3.51Å; R135-E155 IonicContact CZ-OE2 3.73Å; R135-E155 IonicContact NH1-OE1 2.77Å; R135-E155 PolarHBondContact NH1-OE1 2.95Å; R135-E155 IonicContact NH1-OE2 3.74Å; R135-E155 IonicContact NH2-OE1 3.35Å; R135-E155 PolarHBondContact NH2-OE1 2.92Å; R135-E155 IonicContact NH2-OE2 2.81Å; R135-E155 PolarHBondContact NH2-OE2 2.86Å | ||
| 136 | Q | 98.6 | Very high | 97.9 | Very high | 121 Ų | 121 | 65.4 Ų | 65.4 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | trans | -110.9 | -20.9 | 170.3 | -62.5 | -176.6 | 8.6 | 0 | 0 | 111.8 | I95 T96 A98 R134 | I95-Q136 PolarHBondContact O-N 3.23Å; T96-Q136 PolarHBondContact O-NE2 2.97Å; T96-Q136 VanDerWaalsContact O-NE2 3.09Å; T96-Q136 PolarHBondContact O-OE1 2.8Å; A98-Q136 HydrophobicContact CB-CB 4.28Å; A98-Q136 VanDerWaalsContact N-OE1 3.09Å; R134-Q136 PolarHBondContact O-N 3.11Å | ||
| 137 | V | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -113.6 | 112 | 179.8 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | F93 I95 A98 F101 R135 E141 A142 | F93-V137 HydrophobicContact CE2-CB 3.99Å; F93-V137 HydrophobicContact CE2-CG1 3.74Å; F93-V137 HydrophobicContact CE2-CG2 4.23Å; F93-V137 HydrophobicContact CZ-CG1 4.21Å; I95-V137 PolarHBondContact O-N 2.9Å; A98-V137 HydrophobicContact CB-CG2 4.4Å; F101-V137 HydrophobicContact CB-CG1 4.21Å; F101-V137 HydrophobicContact CB-CG2 3.72Å; F101-V137 HydrophobicContact CD1-CG1 3.73Å; F101-V137 HydrophobicContact CD1-CG2 4.32Å; F101-V137 HydrophobicContact CD2-CG1 4.1Å; F101-V137 HydrophobicContact CE1-CG1 4.03Å; F101-V137 HydrophobicContact CE2-CG1 4.37Å; F101-V137 HydrophobicContact CG-CG1 3.77Å; F101-V137 HydrophobicContact CG-CG2 4.18Å; F101-V137 HydrophobicContact CZ-CG1 4.34Å; R135-V137 VanDerWaalsContact CD-O 3.24Å; R135-V137 WeakPolarHBondContact CD-O 3.49Å; R135-V137 WeakPolarHBondContact CG-O 3.21Å; R135-V137 PolarHBondContact NH1-O 3.44Å; V137-E141 WeakPolarHBondContact CA-OE1 3.31Å; V137-E141 HydrophobicContact CG1-CG 3.68Å; V137-A142 HydrophobicContact CG1-CB 4.38Å |
| 138 | S | 98.3 | Very high | 97.6 | Very high | 45 Ų | 45 | 80.1 Ų | 80.1 | 32% | 0.315 | 39% | 0.392 | S | S | . | . | trans | -62.7 | 149.4 | 174.7 | 65.8 | 0 | 0 | 0 | 0 | 112 | E140 E141 A142 | S138-E140 PolarHBondContact O-N 2.9Å; S138-E141 PolarHBondContact N-OE1 3.12Å; S138-E141 WeakPolarHBondContact O-CG 3.31Å; S138-E141 WeakPolarHBondContact OG-CB 3.19Å; S138-E141 VanDerWaalsContact OG-CG 3.31Å; S138-E141 WeakPolarHBondContact OG-CG 3.33Å; S138-E141 PolarHBondContact OG-N 3.49Å; S138-E141 PolarHBondContact OG-OE1 3.23Å; S138-A142 PolarHBondContact O-N 3Å | ||
| 139 | A | 96.8 | Very high | 97.4 | Very high | 31 Ų | 31 | 79.9 Ų | 79.9 | 26% | 0.256 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.1 | -28.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K143 | A139-K143 VanDerWaalsContact O-CB 3.32Å; A139-K143 WeakPolarHBondContact O-CB 3.39Å; A139-K143 WeakPolarHBondContact O-CD 3.38Å; A139-K143 WeakPolarHBondContact O-CG 3.4Å; A139-K143 PolarHBondContact O-N 3.15Å |
| 140 | E | 97.8 | Very high | 97.2 | Very high | 161 Ų | 161 | 82 Ų | 82 | 75% | 0.752 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -67.9 | -47.8 | -179.3 | -68 | 171.2 | -177.3 | 0 | 0 | 111.8 | S138 A142 K143 A144 | S138-E140 PolarHBondContact O-N 2.9Å; E140-A142 VanDerWaalsContact C-N 3.34Å; E140-A142 PolarHBondContact O-N 2.8Å; E140-K143 PolarHBondContact O-N 3Å; E140-A144 WeakPolarHBondContact O-CB 3.28Å; E140-A144 PolarHBondContact O-N 3.28Å |
| 141 | E | 97.7 | Very high | 97.1 | Very high | 81 Ų | 81 | 80.4 Ų | 80.4 | 38% | 0.379 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.6 | -37.1 | 179.2 | 79.6 | -168.7 | 111.3 | 0 | 0 | 112.2 | F101 V137 S138 A144 R145 | F101-E141 HydrophobicContact CE1-CG 3.79Å; F101-E141 HydrophobicContact CZ-CG 4.13Å; V137-E141 WeakPolarHBondContact CA-OE1 3.31Å; V137-E141 HydrophobicContact CG1-CG 3.68Å; S138-E141 PolarHBondContact N-OE1 3.12Å; S138-E141 WeakPolarHBondContact O-CG 3.31Å; S138-E141 WeakPolarHBondContact OG-CB 3.19Å; S138-E141 VanDerWaalsContact OG-CG 3.31Å; S138-E141 WeakPolarHBondContact OG-CG 3.33Å; S138-E141 PolarHBondContact OG-N 3.49Å; S138-E141 PolarHBondContact OG-OE1 3.23Å; E141-A144 PolarHBondContact O-N 3.11Å; E141-R145 PolarHBondContact O-N 2.86Å |
| 142 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69 | -39.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F93 F101 V137 S138 E140 R145 A146 Y153 | F93-A142 HydrophobicContact CZ-CB 3.95Å; F101-A142 HydrophobicContact CE2-CB 3.98Å; F101-A142 HydrophobicContact CZ-CB 4.21Å; V137-A142 HydrophobicContact CG1-CB 4.38Å; S138-A142 PolarHBondContact O-N 3Å; E140-A142 VanDerWaalsContact C-N 3.34Å; E140-A142 PolarHBondContact O-N 2.8Å; A142-R145 PolarHBondContact O-N 2.56Å; A142-A146 PolarHBondContact O-N 3.41Å; A142-Y153 HydrophobicContact CB-CD1 4.25Å; A142-Y153 HydrophobicContact CB-CD2 4.08Å; A142-Y153 HydrophobicContact CB-CE1 3.74Å; A142-Y153 HydrophobicContact CB-CE2 3.57Å; A142-Y153 HydrophobicContact CB-CG 4.38Å |
| 143 | K | 97.2 | Very high | 97 | Very high | 113 Ų | 113 | 77.6 Ų | 77.6 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 172 | -76.4 | 172.6 | -175.2 | 176.4 | 0 | 111.8 | A139 E140 R145 A146 E147 Y153 | A139-K143 VanDerWaalsContact O-CB 3.32Å; A139-K143 WeakPolarHBondContact O-CB 3.39Å; A139-K143 WeakPolarHBondContact O-CD 3.38Å; A139-K143 WeakPolarHBondContact O-CG 3.4Å; A139-K143 PolarHBondContact O-N 3.15Å; E140-K143 PolarHBondContact O-N 3Å; K143-R145 VanDerWaalsContact C-N 3.26Å; K143-R145 PolarHBondContact O-N 2.99Å; K143-A146 PolarHBondContact O-N 3Å; K143-A146 VanDerWaalsContact O-N 3.09Å; K143-E147 WeakPolarHBondContact O-CG 3.22Å; K143-E147 PolarHBondContact O-N 2.94Å; K143-Y153 HydrophobicContact CG-CD1 3.6Å; K143-Y153 HydrophobicContact CG-CE1 4.24Å; K143-Y153 HydrophobicContact CG-CG 4.47Å |
| 144 | A | 98.1 | Very high | 97.1 | Very high | 54 Ų | 54 | 69.9 Ų | 69.9 | 45% | 0.446 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.5 | -39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E140 E141 Q148 | E140-A144 WeakPolarHBondContact O-CB 3.28Å; E140-A144 PolarHBondContact O-N 3.28Å; E141-A144 PolarHBondContact O-N 3.11Å; A144-Q148 WeakPolarHBondContact O-CB 2.84Å; A144-Q148 PolarHBondContact O-N 2.83Å |
| 145 | R | 97.6 | Very high | 97.1 | Very high | 55 Ų | 55 | 63.4 Ų | 63.4 | 21% | 0.208 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 174.2 | -176.5 | 175.3 | -66.4 | -178.8 | 4.1 | 112.6 | F101 T104 L124 E141 A142 K143 E147 Q148 W149 | F101-R145 HydrophobicContact CE2-CB 4.5Å; F101-R145 HydrophobicContact CZ-CB 4.04Å; F101-R145 VanDerWaalsContact CZ-NE 3.29Å; F101-R145 PolarHBondContact O-NH1 2.85Å; T104-R145 PolarHBondContact OG1-NH1 2.9Å; L124-R145 HydrophobicContact CD2-CG 4.49Å; E141-R145 PolarHBondContact O-N 2.86Å; A142-R145 PolarHBondContact O-N 2.56Å; K143-R145 VanDerWaalsContact C-N 3.26Å; K143-R145 PolarHBondContact O-N 2.99Å; R145-E147 VanDerWaalsContact C-N 3.32Å; R145-E147 PolarHBondContact O-N 3.41Å; R145-Q148 WeakPolarHBondContact O-CB 3.31Å; R145-Q148 PolarHBondContact O-N 2.96Å; R145-W149 HydrophobicContact CG-CD2 3.99Å; R145-W149 HydrophobicContact CG-CE3 4.26Å; R145-W149 HydrophobicContact CG-CH2 3.97Å; R145-W149 HydrophobicContact CG-CZ2 3.65Å; R145-W149 HydrophobicContact CG-CZ3 4.25Å; R145-W149 PolarHBondContact O-N 3.27Å |
| 146 | A | 96.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L124 A142 K143 W149 G150 V151 | L124-A146 HydrophobicContact CD2-CB 4.14Å; A142-A146 PolarHBondContact O-N 3.41Å; K143-A146 PolarHBondContact O-N 3Å; K143-A146 VanDerWaalsContact O-N 3.09Å; A146-W149 CarbonylContact O-C 3.58Å; A146-W149 PolarHBondContact O-N 3.19Å; A146-G150 PolarHBondContact O-N 3.23Å; A146-V151 CarbonylContact C-O 3.47Å; A146-V151 HydrophobicContact CB-CG2 4.05Å; A146-V151 WeakPolarHBondContact CB-O 3.36Å; A146-V151 PolarHBondContact O-N 2.66Å |
| 147 | E | 95.6 | Very high | 97.1 | Very high | 154 Ų | 154 | 55 Ų | 55 | 72% | 0.72 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.2 | -45 | 172.5 | -73.4 | 175.4 | -175.1 | 0 | 0 | 111.8 | K143 R145 W149 G150 | K143-E147 WeakPolarHBondContact O-CG 3.22Å; K143-E147 PolarHBondContact O-N 2.94Å; R145-E147 VanDerWaalsContact C-N 3.32Å; R145-E147 PolarHBondContact O-N 3.41Å; E147-W149 PolarHBondContact O-N 3.31Å; E147-G150 PolarHBondContact O-N 3.47Å |
| 148 | Q | 96 | Very high | 97.1 | Very high | 158 Ų | 158 | 55 Ų | 55 | 74% | 0.738 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58 | -36.2 | 175.3 | -175.3 | -174.6 | 3.3 | 0 | 0 | 112.2 | A144 R145 | A144-Q148 WeakPolarHBondContact O-CB 2.84Å; A144-Q148 PolarHBondContact O-N 2.83Å; R145-Q148 WeakPolarHBondContact O-CB 3.31Å; R145-Q148 PolarHBondContact O-N 2.96Å |
| 149 | W | 94.7 | Very high | 97 | Very high | 50 Ų | 50 | 57.8 Ų | 57.8 | 19% | 0.189 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -86.3 | -9 | 178.6 | -64.3 | -9.6 | 0 | 0 | 0 | 113.8 | T104 A105 R108 F122 L124 R145 A146 E147 V151 | T104-W149 WeakPolarHBondContact OG1-CH2 3.34Å; A105-W149 HydrophobicContact CB-CZ2 4.24Å; R108-W149 HydrophobicContact CB-CH2 4.19Å; R108-W149 HydrophobicContact CB-CZ2 4.37Å; R108-W149 HydrophobicContact CB-CZ3 4.37Å; R108-W149 HydrophobicContact CG-CD2 4.32Å; R108-W149 HydrophobicContact CG-CE3 4.42Å; F122-W149 AromaticContact CE1-CE3 3.98Å; F122-W149 HydrophobicContact CE1-CE3 3.98Å; F122-W149 AromaticContact CE1-CZ3 3.96Å; F122-W149 HydrophobicContact CE1-CZ3 3.96Å; F122-W149 HydrophobicContact CZ-CE3 4.48Å; F122-W149 HydrophobicContact CZ-CZ3 4.15Å; L124-W149 HydrophobicContact CD1-CZ3 4.13Å; L124-W149 HydrophobicContact CD2-CZ3 4.33Å; R145-W149 HydrophobicContact CG-CD2 3.99Å; R145-W149 HydrophobicContact CG-CE3 4.26Å; R145-W149 HydrophobicContact CG-CH2 3.97Å; R145-W149 HydrophobicContact CG-CZ2 3.65Å; R145-W149 HydrophobicContact CG-CZ3 4.25Å; R145-W149 PolarHBondContact O-N 3.27Å; A146-W149 CarbonylContact O-C 3.58Å; A146-W149 PolarHBondContact O-N 3.19Å; E147-W149 PolarHBondContact O-N 3.31Å; W149-V151 HydrophobicContact CB-CG1 4.26Å; W149-V151 HydrophobicContact CB-CG2 3.94Å; W149-V151 HydrophobicContact CE3-CG2 4.24Å |
| 150 | G | 94.4 | Very high | 97 | Very high | 72 Ų | 72 | 60.5 Ų | 60.5 | 74% | 0.742 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 32.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A146 E147 | A146-G150 PolarHBondContact O-N 3.23Å; E147-G150 PolarHBondContact O-N 3.47Å |
| 151 | V | 95.1 | Very high | 97 | Very high | 25 Ų | 25 | 56 Ų | 56 | 15% | 0.152 | 29% | 0.294 | C | S | . | . | trans | -121.9 | 163.9 | -177.2 | -57.8 | 0 | 0 | 0 | 0 | 112.1 | F122 L124 A146 W149 | F122-V151 HydrophobicContact CB-CG1 4.16Å; F122-V151 HydrophobicContact CD1-CB 4.2Å; F122-V151 HydrophobicContact CD1-CG1 3.89Å; F122-V151 HydrophobicContact CD1-CG2 4.09Å; F122-V151 HydrophobicContact CE1-CG2 4.43Å; F122-V151 HydrophobicContact CG-CG1 4.42Å; F122-V151 WeakPolarHBondContact O-CB 3.29Å; L124-V151 HydrophobicContact CB-CG2 4.38Å; A146-V151 CarbonylContact C-O 3.47Å; A146-V151 HydrophobicContact CB-CG2 4.05Å; A146-V151 WeakPolarHBondContact CB-O 3.36Å; A146-V151 PolarHBondContact O-N 2.66Å; W149-V151 HydrophobicContact CB-CG1 4.26Å; W149-V151 HydrophobicContact CB-CG2 3.94Å; W149-V151 HydrophobicContact CE3-CG2 4.24Å | ||
| 152 | C | 95.1 | Very high | 97 | Very high | 64 Ų | 64 | 53.9 Ų | 53.9 | 43% | 0.432 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 141.1 | 174.4 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | L123 L124 | L123-C152 HydrophobicContact CG-CB 4.16Å; L124-C152 PolarHBondContact N-O 2.76Å |
| 153 | Y | 98.2 | Very high | 97 | Very high | 37 Ų | 37 | 57.3 Ų | 57.3 | 15% | 0.145 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 133.1 | 166.9 | 174.9 | -120.1 | 0 | 0 | 0 | 110.9 | F93 L124 A142 K143 E155 | F93-Y153 HydrophobicContact CE1-CD2 4.5Å; F93-Y153 AromaticContact CE1-CE2 3.76Å; F93-Y153 HydrophobicContact CE1-CE2 3.76Å; F93-Y153 AromaticContact CZ-CE2 3.74Å; F93-Y153 HydrophobicContact CZ-CE2 3.74Å; L124-Y153 HydrophobicContact CB-CD2 4.34Å; L124-Y153 HydrophobicContact CD2-CD2 4.19Å; L124-Y153 HydrophobicContact CG-CD2 3.99Å; L124-Y153 WeakPolarHBondContact O-CA 2.96Å; L124-Y153 WeakPolarHBondContact O-CD2 3.31Å; A142-Y153 HydrophobicContact CB-CD1 4.25Å; A142-Y153 HydrophobicContact CB-CD2 4.08Å; A142-Y153 HydrophobicContact CB-CE1 3.74Å; A142-Y153 HydrophobicContact CB-CE2 3.57Å; A142-Y153 HydrophobicContact CB-CG 4.38Å; K143-Y153 HydrophobicContact CG-CD1 3.6Å; K143-Y153 HydrophobicContact CG-CE1 4.24Å; K143-Y153 HydrophobicContact CG-CG 4.47Å; Y153-E155 HydrophobicContact CE1-CG 3.75Å; Y153-E155 HydrophobicContact CE2-CG 4.3Å; Y153-E155 VanDerWaalsContact CZ-CG 3.44Å; Y153-E155 VanDerWaalsContact OH-CD 3.31Å; Y153-E155 WeakPolarHBondContact OH-CG 3.25Å; Y153-E155 PolarHBondContact OH-OE1 2.63Å |
| 154 | V | 98.5 | Very high | 97.1 | Very high | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 131.4 | 175.4 | -175 | 0 | 0 | 0 | 0 | 109.9 | L124 V125 G126 T156 N163 K166 V167 | L124-V154 PolarHBondContact O-N 3.41Å; V125-V154 WeakPolarHBondContact CA-O 3.48Å; G126-V154 PolarHBondContact N-O 2.57Å; V154-T156 HydrophobicContact CG1-CG2 4.28Å; V154-N163 HydrophobicContact CG1-CB 3.73Å; V154-K166 HydrophobicContact CG1-CD 4.3Å; V154-V167 HydrophobicContact CB-CG1 3.67Å; V154-V167 HydrophobicContact CG1-CG1 3.65Å; V154-V167 HydrophobicContact CG2-CG1 4.18Å |
| 155 | E | 98.7 | Very high | 97.1 | Very high | 39 Ų | 39 | 52 Ų | 52 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 135.5 | 168.7 | -71.1 | -169.6 | 177.3 | 0 | 0 | 111.1 | G126 R135 Y153 N163 | G126-E155 CarbonylContact O-C 3.53Å; G126-E155 WeakPolarHBondContact O-CA 3.5Å; R135-E155 IonicContact CZ-OE1 3.51Å; R135-E155 IonicContact CZ-OE2 3.73Å; R135-E155 IonicContact NH1-OE1 2.77Å; R135-E155 PolarHBondContact NH1-OE1 2.95Å; R135-E155 IonicContact NH1-OE2 3.74Å; R135-E155 IonicContact NH2-OE1 3.35Å; R135-E155 PolarHBondContact NH2-OE1 2.92Å; R135-E155 IonicContact NH2-OE2 2.81Å; R135-E155 PolarHBondContact NH2-OE2 2.86Å; Y153-E155 HydrophobicContact CE1-CG 3.75Å; Y153-E155 HydrophobicContact CE2-CG 4.3Å; Y153-E155 VanDerWaalsContact CZ-CG 3.44Å; Y153-E155 VanDerWaalsContact OH-CD 3.31Å; Y153-E155 WeakPolarHBondContact OH-CG 3.25Å; Y153-E155 PolarHBondContact OH-OE1 2.63Å; E155-N163 VanDerWaalsContact O-CB 3.31Å; E155-N163 WeakPolarHBondContact O-CB 3.39Å; E155-N163 PolarHBondContact O-ND2 3.04Å |
| 156 | T | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 158.3 | -177.9 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | V125 G126 N127 K128 S129 V154 A162 N163 V167 | V125-T156 HydrophobicContact CG1-CG2 3.67Å; V125-T156 VanDerWaalsContact CG1-OG1 3.31Å; V125-T156 WeakPolarHBondContact CG1-OG1 3.42Å; G126-T156 PolarHBondContact O-N 3.21Å; N127-T156 CarbonylContact C-O 3.54Å; N127-T156 VanDerWaalsContact CA-O 3.31Å; N127-T156 WeakPolarHBondContact CA-O 3.34Å; N127-T156 PolarHBondContact OD1-O 2.84Å; N127-T156 PolarHBondContact OD1-OG1 3.39Å; K128-T156 PolarHBondContact N-O 2.88Å; S129-T156 PolarHBondContact N-O 3.48Å; S129-T156 PolarHBondContact OG-O 2.69Å; V154-T156 HydrophobicContact CG1-CG2 4.28Å; T156-A162 VanDerWaalsContact CA-O 3.29Å; T156-A162 WeakPolarHBondContact CA-O 3.41Å; T156-N163 HydrophobicContact CG2-CB 3.88Å; T156-V167 HydrophobicContact CG2-CG1 3.59Å; T156-V167 HydrophobicContact CG2-CG2 4.13Å |
| 157 | S | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -134.6 | 109.4 | 166.6 | 167.1 | 0 | 0 | 0 | 0 | 108.1 | S129 D130 K159 T160 R161 A162 | S129-S157 WeakPolarHBondContact OG-CB 3.46Å; D130-S157 VanDerWaalsContact CG-OG 3.25Å; D130-S157 WeakPolarHBondContact OD1-CB 3.49Å; D130-S157 PolarHBondContact OD1-OG 2.62Å; S157-K159 PolarHBondContact O-N 3.37Å; S157-K159 PolarHBondContact OG-N 2.94Å; S157-T160 WeakPolarHBondContact CB-OG1 3.44Å; S157-T160 PolarHBondContact O-N 3.47Å; S157-T160 PolarHBondContact OG-N 3.09Å; S157-T160 PolarHBondContact OG-OG1 3.32Å; S157-R161 CarbonylContact O-C 3.57Å; S157-R161 VanDerWaalsContact O-CA 3.25Å; S157-R161 WeakPolarHBondContact O-CA 3.36Å; S157-R161 PolarHBondContact O-N 2.99Å; S157-A162 PolarHBondContact N-O 2.71Å; S157-A162 PolarHBondContact O-N 3.47Å | ||
| 158 | A | 97.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A29 L30 Q33 F39 N127 | A29-A158 HydrophobicContact CB-CB 3.67Å; L30-A158 HydrophobicContact CD2-CB 3.91Å; L30-A158 HydrophobicContact CG-CB 4.2Å; Q33-A158 PolarHBondContact NE2-O 2.87Å; F39-A158 HydrophobicContact CD2-CB 4.16Å; F39-A158 HydrophobicContact CE2-CB 4.16Å; N127-A158 PolarHBondContact OD1-N 3.29Å |
| 159 | K | 96.4 | Very high | 97.4 | Very high | 103 Ų | 103 | 40.8 Ų | 40.8 | 45% | 0.448 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -46.1 | -180 | -177.8 | 166.1 | -175.8 | 141.7 | 0 | 113 | F39 E41 S157 | F39-K159 HydrophobicContact CD1-CB 4.2Å; F39-K159 HydrophobicContact CD1-CG 4.02Å; F39-K159 HydrophobicContact CD2-CB 4.43Å; F39-K159 HydrophobicContact CE1-CB 3.85Å; F39-K159 HydrophobicContact CE1-CD 3.98Å; F39-K159 HydrophobicContact CE1-CG 3.74Å; F39-K159 HydrophobicContact CE2-CB 4.15Å; F39-K159 HydrophobicContact CG-CB 4.46Å; F39-K159 HydrophobicContact CZ-CB 3.86Å; F39-K159 HydrophobicContact CZ-CD 4.43Å; F39-K159 HydrophobicContact CZ-CG 4.24Å; E41-K159 IonicContact OE1-NZ 3.71Å; E41-K159 PolarHBondContact OE1-NZ 3.42Å; S157-K159 PolarHBondContact O-N 3.37Å; S157-K159 PolarHBondContact OG-N 2.94Å |
| 160 | T | 97.1 | Very high | 97.6 | Very high | 88 Ų | 88 | 40 Ų | 40 | 54% | 0.54 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -1 | -177 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | D130 S157 A162 | D130-T160 HydrophobicContact CB-CG2 3.99Å; S157-T160 WeakPolarHBondContact CB-OG1 3.44Å; S157-T160 PolarHBondContact O-N 3.47Å; S157-T160 PolarHBondContact OG-N 3.09Å; S157-T160 PolarHBondContact OG-OG1 3.32Å; T160-A162 PolarHBondContact O-N 2.94Å; T160-A162 WeakPolarHBondContact OG1-CB 3.26Å; T160-A162 PolarHBondContact OG1-N 2.81Å |
| 161 | R | 97.5 | Very high | 97.8 | Very high | 65 Ų | 65 | 36.6 Ų | 36.6 | 25% | 0.245 | 19% | 0.19 | C | C | . | . | trans | 63 | 10 | -170.8 | -153.5 | -166.2 | 174.4 | 83.6 | -4.7 | 114.6 | Q33 D37 S157 N163 V164 D165 | Q33-R161 HydrophobicContact CG-CB 4.4Å; Q33-R161 HydrophobicContact CG-CG 3.93Å; Q33-R161 PolarHBondContact O-NH1 3.08Å; D37-R161 IonicContact OD1-CZ 3.47Å; D37-R161 IonicContact OD1-NH1 3.19Å; D37-R161 PolarHBondContact OD1-NH1 3.43Å; D37-R161 IonicContact OD1-NH2 2.81Å; D37-R161 PolarHBondContact OD1-NH2 3.29Å; S157-R161 CarbonylContact O-C 3.57Å; S157-R161 VanDerWaalsContact O-CA 3.25Å; S157-R161 WeakPolarHBondContact O-CA 3.36Å; S157-R161 PolarHBondContact O-N 2.99Å; R161-N163 PolarHBondContact O-N 3.4Å; R161-N163 VanDerWaalsContact O-N 3.14Å; R161-V164 HydrophobicContact CG-CB 4.13Å; R161-V164 HydrophobicContact CG-CG2 4.26Å; R161-V164 PolarHBondContact O-N 2.91Å; R161-D165 IonicContact CZ-OD1 3.48Å; R161-D165 IonicContact CZ-OD2 2.69Å; R161-D165 IonicContact NE-OD2 2.75Å; R161-D165 PolarHBondContact NE-OD2 3.41Å; R161-D165 IonicContact NH2-OD1 3.97Å; R161-D165 PolarHBondContact NH2-OD1 2.73Å; R161-D165 IonicContact NH2-OD2 2.93Å; R161-D165 PolarHBondContact NH2-OD2 3.13Å; R161-D165 VanDerWaalsContact NH2-OD2 3.16Å | ||
| 162 | A | 98.3 | Very high | 97.9 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 31% | 0.306 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 123.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | T156 S157 T160 V164 | T156-A162 VanDerWaalsContact CA-O 3.29Å; T156-A162 WeakPolarHBondContact CA-O 3.41Å; S157-A162 PolarHBondContact N-O 2.71Å; S157-A162 PolarHBondContact O-N 3.47Å; T160-A162 PolarHBondContact O-N 2.94Å; T160-A162 WeakPolarHBondContact OG1-CB 3.26Å; T160-A162 PolarHBondContact OG1-N 2.81Å; A162-V164 PolarHBondContact O-N 2.98Å |
| 163 | N | 98.3 | Very high | 98 | Very high | 73 Ų | 73 | 36.5 Ų | 36.5 | 39% | 0.39 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 13.4 | 178.7 | -63.7 | -39.1 | 0 | 0 | 0 | 116.5 | V154 E155 T156 R161 K166 V167 | V154-N163 HydrophobicContact CG1-CB 3.73Å; E155-N163 VanDerWaalsContact O-CB 3.31Å; E155-N163 WeakPolarHBondContact O-CB 3.39Å; E155-N163 PolarHBondContact O-ND2 3.04Å; T156-N163 HydrophobicContact CG2-CB 3.88Å; R161-N163 PolarHBondContact O-N 3.4Å; R161-N163 VanDerWaalsContact O-N 3.14Å; N163-K166 HydrophobicContact CB-CB 4.2Å; N163-K166 HydrophobicContact CB-CD 4.49Å; N163-K166 WeakPolarHBondContact O-CB 3.43Å; N163-K166 PolarHBondContact O-N 2.77Å; N163-V167 PolarHBondContact O-N 3.35Å |
| 164 | V | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -53.9 | 180 | 175.7 | 0 | 0 | 0 | 0 | 110.6 | L30 Q33 F34 R161 A162 K166 V167 F168 | L30-V164 HydrophobicContact CD2-CG1 4.49Å; L30-V164 HydrophobicContact CD2-CG2 3.79Å; Q33-V164 HydrophobicContact CB-CG1 4.27Å; Q33-V164 HydrophobicContact CG-CB 4.39Å; Q33-V164 HydrophobicContact CG-CG1 4.01Å; Q33-V164 HydrophobicContact CG-CG2 4.05Å; F34-V164 HydrophobicContact CB-CG1 3.91Å; R161-V164 HydrophobicContact CG-CB 4.13Å; R161-V164 HydrophobicContact CG-CG2 4.26Å; R161-V164 PolarHBondContact O-N 2.91Å; A162-V164 PolarHBondContact O-N 2.98Å; V164-K166 VanDerWaalsContact C-N 3.28Å; V164-K166 PolarHBondContact O-N 2.91Å; V164-V167 WeakPolarHBondContact O-CG2 3.03Å; V164-V167 PolarHBondContact O-N 3.1Å; V164-F168 HydrophobicContact CG1-CD2 4.46Å; V164-F168 HydrophobicContact CG1-CE2 4.25Å; V164-F168 VanDerWaalsContact O-CD2 3.24Å; V164-F168 WeakPolarHBondContact O-CD2 3.35Å |
| 165 | D | 97.8 | Very high | 97.9 | Very high | 55 Ų | 55 | 37.2 Ų | 37.2 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.8 | -41.7 | 176.8 | -63.5 | -50.5 | 0 | 0 | 0 | 110.8 | F34 R161 V167 F168 F169 | F34-D165 WeakPolarHBondContact CD2-OD1 3.36Å; R161-D165 IonicContact CZ-OD1 3.48Å; R161-D165 IonicContact CZ-OD2 2.69Å; R161-D165 IonicContact NE-OD2 2.75Å; R161-D165 PolarHBondContact NE-OD2 3.41Å; R161-D165 IonicContact NH2-OD1 3.97Å; R161-D165 PolarHBondContact NH2-OD1 2.73Å; R161-D165 IonicContact NH2-OD2 2.93Å; R161-D165 PolarHBondContact NH2-OD2 3.13Å; R161-D165 VanDerWaalsContact NH2-OD2 3.16Å; D165-V167 PolarHBondContact O-N 2.92Å; D165-F168 PolarHBondContact O-N 2.98Å; D165-F169 HydrophobicContact CB-CD2 4.12Å; D165-F169 HydrophobicContact CB-CE2 4.36Å; D165-F169 WeakPolarHBondContact O-CB 3.44Å; D165-F169 VanDerWaalsContact O-CD2 3.25Å; D165-F169 WeakPolarHBondContact O-CD2 3.25Å; D165-F169 PolarHBondContact O-N 3.44Å |
| 166 | K | 97.9 | Very high | 97.7 | Very high | 93 Ų | 93 | 37.9 Ų | 37.9 | 40% | 0.404 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -52.3 | -49.6 | -177.6 | 177.5 | 172.9 | 168.9 | 48.6 | 0 | 112.4 | V154 N163 V164 F168 F169 D170 | V154-K166 HydrophobicContact CG1-CD 4.3Å; N163-K166 HydrophobicContact CB-CB 4.2Å; N163-K166 HydrophobicContact CB-CD 4.49Å; N163-K166 WeakPolarHBondContact O-CB 3.43Å; N163-K166 PolarHBondContact O-N 2.77Å; V164-K166 VanDerWaalsContact C-N 3.28Å; V164-K166 PolarHBondContact O-N 2.91Å; K166-F168 PolarHBondContact O-N 2.81Å; K166-F169 PolarHBondContact O-N 2.91Å; K166-D170 VanDerWaalsContact CG-OD2 3.3Å; K166-D170 WeakPolarHBondContact CG-OD2 3.27Å; K166-D170 IonicContact NZ-OD2 2.74Å; K166-D170 PolarHBondContact NZ-OD2 2.85Å; K166-D170 VanDerWaalsContact O-CB 3.26Å; K166-D170 WeakPolarHBondContact O-CB 3.45Å; K166-D170 PolarHBondContact O-N 2.84Å |
| 167 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.3 | -38.9 | -176.5 | -65.1 | 0 | 0 | 0 | 0 | 112.9 | L90 L123 V125 V154 T156 N163 V164 D165 L171 | L90-V167 HydrophobicContact CD1-CB 4.37Å; L90-V167 HydrophobicContact CD1-CG2 4.06Å; L90-V167 HydrophobicContact CD2-CB 4.18Å; L123-V167 HydrophobicContact CD2-CB 4.33Å; L123-V167 HydrophobicContact CD2-CG1 4.48Å; V125-V167 HydrophobicContact CG1-CG1 4.31Å; V125-V167 HydrophobicContact CG2-CB 4.27Å; V125-V167 HydrophobicContact CG2-CG1 3.95Å; V154-V167 HydrophobicContact CB-CG1 3.67Å; V154-V167 HydrophobicContact CG1-CG1 3.65Å; V154-V167 HydrophobicContact CG2-CG1 4.18Å; T156-V167 HydrophobicContact CG2-CG1 3.59Å; T156-V167 HydrophobicContact CG2-CG2 4.13Å; N163-V167 PolarHBondContact O-N 3.35Å; V164-V167 WeakPolarHBondContact O-CG2 3.03Å; V164-V167 PolarHBondContact O-N 3.1Å; D165-V167 PolarHBondContact O-N 2.92Å; V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 PolarHBondContact O-N 3.47Å; V167-L171 VanDerWaalsContact O-N 3.14Å |
| 168 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.8 | -44.1 | 177 | -72 | -74 | 0 | 0 | 0 | 111.6 | V17 M19 F34 I64 I66 L90 V164 D165 K166 M172 | V17-F168 HydrophobicContact CG1-CD1 4.41Å; V17-F168 HydrophobicContact CG1-CE1 4.4Å; M19-F168 HydrophobicContact CE-CE1 4.36Å; M19-F168 HydrophobicContact CE-CZ 3.97Å; M19-F168 HydrophobicContact SD-CE1 3.75Å; M19-F168 HydrophobicContact SD-CZ 3.97Å; F34-F168 HydrophobicContact CB-CD2 3.65Å; F34-F168 HydrophobicContact CB-CE2 3.47Å; F34-F168 VanDerWaalsContact CB-CE2 3.47Å; F34-F168 HydrophobicContact CB-CZ 4.23Å; F34-F168 HydrophobicContact CD1-CD1 4.45Å; F34-F168 HydrophobicContact CD1-CD2 4.03Å; F34-F168 HydrophobicContact CD1-CE2 4.32Å; F34-F168 HydrophobicContact CD1-CG 4.12Å; F34-F168 HydrophobicContact CD2-CB 4.06Å; F34-F168 AromaticContact CD2-CD2 3.55Å; F34-F168 HydrophobicContact CD2-CD2 3.55Å; F34-F168 HydrophobicContact CD2-CE2 4.29Å; F34-F168 AromaticContact CD2-CG 4Å; F34-F168 HydrophobicContact CD2-CG 4Å; F34-F168 HydrophobicContact CE1-CB 4.37Å; F34-F168 HydrophobicContact CE1-CG 4.3Å; F34-F168 HydrophobicContact CE2-CB 3.78Å; F34-F168 HydrophobicContact CE2-CD2 4.17Å; F34-F168 HydrophobicContact CE2-CG 4.18Å; F34-F168 HydrophobicContact CG-CB 4.45Å; F34-F168 AromaticContact CG-CD2 3.45Å; F34-F168 HydrophobicContact CG-CD2 3.45Å; F34-F168 VanDerWaalsContact CG-CD2 3.45Å; F34-F168 AromaticContact CG-CE2 3.78Å; F34-F168 HydrophobicContact CG-CE2 3.78Å; F34-F168 AromaticContact CG-CG 3.95Å; F34-F168 HydrophobicContact CG-CG 3.95Å; F34-F168 HydrophobicContact CG-CZ 4.49Å; F34-F168 HydrophobicContact CZ-CB 3.94Å; F34-F168 HydrophobicContact CZ-CG 4.32Å; I64-F168 HydrophobicContact CD1-CB 4.3Å; I64-F168 HydrophobicContact CD1-CD1 3.97Å; I66-F168 HydrophobicContact CD1-CD1 3.9Å; I66-F168 HydrophobicContact CD1-CE1 3.56Å; I66-F168 HydrophobicContact CD1-CZ 4.16Å; I66-F168 HydrophobicContact CG1-CD1 4.39Å; I66-F168 HydrophobicContact CG1-CE1 4.1Å; I66-F168 HydrophobicContact CG2-CE1 4.18Å; L90-F168 HydrophobicContact CD1-CD1 3.66Å; L90-F168 HydrophobicContact CD1-CE1 3.51Å; L90-F168 HydrophobicContact CD1-CE2 4.42Å; L90-F168 HydrophobicContact CD1-CG 4.19Å; L90-F168 HydrophobicContact CD1-CZ 3.92Å; V164-F168 HydrophobicContact CG1-CD2 4.46Å; V164-F168 HydrophobicContact CG1-CE2 4.25Å; V164-F168 VanDerWaalsContact O-CD2 3.24Å; V164-F168 WeakPolarHBondContact O-CD2 3.35Å; D165-F168 PolarHBondContact O-N 2.98Å; K166-F168 PolarHBondContact O-N 2.81Å; F168-M172 WeakPolarHBondContact O-CG 3.23Å; F168-M172 PolarHBondContact O-N 2.99Å |
| 169 | F | 98.3 | Very high | 96.9 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 18% | 0.184 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.2 | -43 | 179.1 | -83.8 | -88.3 | 0 | 0 | 0 | 112.5 | F34 V55 V56 L57 D165 K166 M172 R173 | F34-F169 HydrophobicContact CE2-CD2 4.18Å; F34-F169 AromaticContact CE2-CE2 3.87Å; F34-F169 HydrophobicContact CE2-CE2 3.87Å; F34-F169 HydrophobicContact CZ-CE2 4.36Å; V55-F169 HydrophobicContact CB-CE1 4.47Å; V55-F169 HydrophobicContact CB-CZ 4.11Å; V56-F169 WeakPolarHBondContact O-CE1 3.39Å; L57-F169 HydrophobicContact CD1-CD1 3.59Å; L57-F169 HydrophobicContact CD1-CE1 4.27Å; D165-F169 HydrophobicContact CB-CD2 4.12Å; D165-F169 HydrophobicContact CB-CE2 4.36Å; D165-F169 WeakPolarHBondContact O-CB 3.44Å; D165-F169 VanDerWaalsContact O-CD2 3.25Å; D165-F169 WeakPolarHBondContact O-CD2 3.25Å; D165-F169 PolarHBondContact O-N 3.44Å; K166-F169 PolarHBondContact O-N 2.91Å; F169-M172 HydrophobicContact CB-CE 4.41Å; F169-M172 HydrophobicContact CD1-CE 3.79Å; F169-M172 HydrophobicContact CD2-CE 4.35Å; F169-M172 HydrophobicContact CE1-CE 4.07Å; F169-M172 HydrophobicContact CG-CE 3.93Å; F169-M172 HydrophobicContact CZ-CE 4.5Å; F169-M172 PolarHBondContact O-N 2.96Å; F169-R173 WeakPolarHBondContact O-CG 3.38Å; F169-R173 PolarHBondContact O-N 2.9Å |
| 170 | D | 98 | Very high | 96.5 | Very high | 33 Ų | 33 | 45.4 Ų | 45.4 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 177.8 | -72.7 | -12.5 | 0 | 0 | 0 | 111.6 | L123 K166 M172 R173 E174 | L123-D170 HydrophobicContact CD2-CB 4.01Å; K166-D170 VanDerWaalsContact CG-OD2 3.3Å; K166-D170 WeakPolarHBondContact CG-OD2 3.27Å; K166-D170 IonicContact NZ-OD2 2.74Å; K166-D170 PolarHBondContact NZ-OD2 2.85Å; K166-D170 VanDerWaalsContact O-CB 3.26Å; K166-D170 WeakPolarHBondContact O-CB 3.45Å; K166-D170 PolarHBondContact O-N 2.84Å; D170-M172 VanDerWaalsContact C-N 3.34Å; D170-M172 PolarHBondContact O-N 3.26Å; D170-R173 WeakPolarHBondContact O-CB 3.33Å; D170-R173 PolarHBondContact O-N 3.49Å; D170-R173 VanDerWaalsContact O-N 3.1Å; D170-R173 IonicContact OD1-CZ 2.75Å; D170-R173 IonicContact OD1-NH1 3.5Å; D170-R173 PolarHBondContact OD1-NH1 2.83Å; D170-E174 PolarHBondContact O-N 3.23Å |
| 171 | L | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.6 | -41.2 | 175.1 | -177.2 | 65.6 | 0 | 0 | 0 | 111.8 | V17 L90 P121 L123 V167 R173 E174 I175 | V17-L171 HydrophobicContact CB-CD2 4.25Å; V17-L171 HydrophobicContact CG1-CD2 3.61Å; V17-L171 HydrophobicContact CG2-CD2 3.78Å; V17-L171 HydrophobicContact CG2-CG 4.43Å; L90-L171 HydrophobicContact CD2-CB 4.03Å; L90-L171 HydrophobicContact CD2-CD2 3.65Å; L90-L171 HydrophobicContact CD2-CG 4.37Å; L90-L171 HydrophobicContact CG-CD2 3.68Å; P121-L171 HydrophobicContact CB-CD1 3.86Å; L123-L171 HydrophobicContact CD1-CB 4.19Å; L123-L171 HydrophobicContact CD1-CD1 4.01Å; V167-L171 WeakPolarHBondContact O-CB 3.28Å; V167-L171 PolarHBondContact O-N 3.47Å; V167-L171 VanDerWaalsContact O-N 3.14Å; L171-R173 VanDerWaalsContact C-N 3.26Å; L171-R173 PolarHBondContact O-N 3.35Å; L171-E174 PolarHBondContact O-N 3.4Å; L171-I175 HydrophobicContact CG-CD1 4.15Å; L171-I175 VanDerWaalsContact O-CG1 3.29Å; L171-I175 WeakPolarHBondContact O-CG1 3.24Å; L171-I175 PolarHBondContact O-N 3.47Å |
| 172 | M | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -35.4 | 174.1 | -76 | -171.3 | -69.2 | 0 | 0 | 112.4 | H15 V55 L57 V62 I64 F168 F169 D170 I175 R176 | H15-M172 HydrophobicContact CB-CG 3.99Å; H15-M172 HydrophobicContact CB-SD 4.41Å; V55-M172 HydrophobicContact CG2-CE 3.93Å; V55-M172 HydrophobicContact CG2-SD 4.05Å; L57-M172 HydrophobicContact CD1-CB 4.23Å; L57-M172 HydrophobicContact CD1-CE 4.39Å; L57-M172 HydrophobicContact CD2-CB 3.81Å; V62-M172 HydrophobicContact CG2-SD 4.38Å; I64-M172 HydrophobicContact CB-SD 3.76Å; I64-M172 HydrophobicContact CD1-CE 4.26Å; I64-M172 HydrophobicContact CD1-CG 4.07Å; I64-M172 HydrophobicContact CD1-SD 3.81Å; I64-M172 HydrophobicContact CG1-CG 4.41Å; I64-M172 HydrophobicContact CG1-SD 3.99Å; F168-M172 WeakPolarHBondContact O-CG 3.23Å; F168-M172 PolarHBondContact O-N 2.99Å; F169-M172 HydrophobicContact CB-CE 4.41Å; F169-M172 HydrophobicContact CD1-CE 3.79Å; F169-M172 HydrophobicContact CD2-CE 4.35Å; F169-M172 HydrophobicContact CE1-CE 4.07Å; F169-M172 HydrophobicContact CG-CE 3.93Å; F169-M172 HydrophobicContact CZ-CE 4.5Å; F169-M172 PolarHBondContact O-N 2.96Å; D170-M172 VanDerWaalsContact C-N 3.34Å; D170-M172 PolarHBondContact O-N 3.26Å; M172-I175 PolarHBondContact O-N 2.94Å; M172-R176 VanDerWaalsContact O-CB 3.29Å; M172-R176 WeakPolarHBondContact O-CB 3.47Å; M172-R176 PolarHBondContact O-N 2.86Å |
| 173 | R | 97.8 | Very high | 94.7 | Very high | 88 Ų | 88 | 48.6 Ų | 48.6 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 173.6 | -68.4 | 174.6 | -176 | 111.9 | 5 | 111.5 | L57 D58 F169 D170 L171 R176 A177 | L57-R173 HydrophobicContact CD1-CG 3.93Å; D58-R173 IonicContact OD1-CZ 2.74Å; D58-R173 IonicContact OD1-NE 2.63Å; D58-R173 PolarHBondContact OD1-NE 3.41Å; D58-R173 VanDerWaalsContact OD1-NE 3.09Å; D58-R173 IonicContact OD1-NH2 3.94Å; D58-R173 PolarHBondContact OD1-NH2 3.44Å; D58-R173 IonicContact OD2-NE 2.89Å; D58-R173 PolarHBondContact OD2-NE 2.94Å; F169-R173 WeakPolarHBondContact O-CG 3.38Å; F169-R173 PolarHBondContact O-N 2.9Å; D170-R173 WeakPolarHBondContact O-CB 3.33Å; D170-R173 PolarHBondContact O-N 3.49Å; D170-R173 VanDerWaalsContact O-N 3.1Å; D170-R173 IonicContact OD1-CZ 2.75Å; D170-R173 IonicContact OD1-NH1 3.5Å; D170-R173 PolarHBondContact OD1-NH1 2.83Å; L171-R173 VanDerWaalsContact C-N 3.26Å; L171-R173 PolarHBondContact O-N 3.35Å; R173-R176 PolarHBondContact O-N 2.9Å; R173-A177 WeakPolarHBondContact O-CB 3.34Å; R173-A177 PolarHBondContact O-N 3.22Å |
| 174 | E | 96.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 52.5 Ų | 52.5 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 175.2 | -69.1 | -173.1 | -173.7 | 0 | 0 | 111.7 | P121 F122 L123 D170 L171 R176 A177 R178 | P121-E174 HydrophobicContact CB-CB 3.87Å; P121-E174 HydrophobicContact CG-CB 4.45Å; F122-E174 PolarHBondContact N-OE2 3.28Å; L123-E174 VanDerWaalsContact CD1-OE1 3.28Å; L123-E174 WeakPolarHBondContact CD1-OE1 3.2Å; D170-E174 PolarHBondContact O-N 3.23Å; L171-E174 PolarHBondContact O-N 3.4Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 3.47Å; E174-A177 PolarHBondContact O-N 3.2Å; E174-R178 WeakPolarHBondContact O-CB 3.46Å; E174-R178 PolarHBondContact O-N 2.76Å |
| 175 | I | 96.5 | Very high | 92.6 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.2 | -46.6 | 175.2 | -64.6 | 167.3 | 0 | 0 | 0 | 110.5 | H15 V17 E87 P121 L171 M172 R178 K179 | H15-I175 HydrophobicContact CB-CD1 4.37Å; H15-I175 VanDerWaalsContact ND1-CG2 3.31Å; H15-I175 WeakPolarHBondContact ND1-CG2 3.3Å; V17-I175 HydrophobicContact CG2-CD1 4Å; E87-I175 HydrophobicContact CB-CD1 4.17Å; E87-I175 HydrophobicContact CB-CG1 4.26Å; E87-I175 HydrophobicContact CB-CG2 3.75Å; P121-I175 HydrophobicContact CB-CG1 3.91Å; P121-I175 HydrophobicContact CG-CG1 4.11Å; L171-I175 HydrophobicContact CG-CD1 4.15Å; L171-I175 VanDerWaalsContact O-CG1 3.29Å; L171-I175 WeakPolarHBondContact O-CG1 3.24Å; L171-I175 PolarHBondContact O-N 3.47Å; M172-I175 PolarHBondContact O-N 2.94Å; I175-R178 PolarHBondContact O-N 3.42Å; I175-K179 HydrophobicContact CG2-CD 4.21Å; I175-K179 HydrophobicContact CG2-CG 4.5Å; I175-K179 WeakPolarHBondContact O-CG 3.45Å; I175-K179 PolarHBondContact O-N 3.26Å |
| 176 | R | 95.7 | Very high | 91.4 | Very high | 54 Ų | 54 | 61.4 Ų | 61.4 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.5 | -45.7 | -179.8 | -172.9 | -178.4 | 66.5 | -168 | -7.6 | 111.2 | L57 D58 M172 R173 E174 R178 K179 M180 | L57-R176 PolarHBondContact O-NH1 3.05Å; D58-R176 IonicContact OD2-CZ 3.41Å; D58-R176 IonicContact OD2-NH1 3.16Å; D58-R176 PolarHBondContact OD2-NH1 2.89Å; D58-R176 IonicContact OD2-NH2 3.09Å; D58-R176 PolarHBondContact OD2-NH2 3.42Å; M172-R176 VanDerWaalsContact O-CB 3.29Å; M172-R176 WeakPolarHBondContact O-CB 3.47Å; M172-R176 PolarHBondContact O-N 2.86Å; R173-R176 PolarHBondContact O-N 2.9Å; E174-R176 VanDerWaalsContact C-N 3.32Å; E174-R176 PolarHBondContact O-N 3.47Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 3.41Å; R176-K179 PolarHBondContact O-N 3.38Å; R176-M180 HydrophobicContact CG-CE 3.94Å; R176-M180 WeakPolarHBondContact O-CG 3.32Å; R176-M180 PolarHBondContact O-N 3.48Å; R176-M180 VanDerWaalsContact O-N 3.1Å |
| 177 | A | 93.6 | Very high | 90 | Very high | 46 Ų | 46 | 61.6 Ų | 61.6 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.6 | -47.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R173 E174 K179 M180 E181 | R173-A177 WeakPolarHBondContact O-CB 3.34Å; R173-A177 PolarHBondContact O-N 3.22Å; E174-A177 PolarHBondContact O-N 3.2Å; A177-K179 PolarHBondContact O-N 2.88Å; A177-M180 WeakPolarHBondContact O-CB 3.47Å; A177-M180 PolarHBondContact O-N 3.46Å; A177-M180 VanDerWaalsContact O-N 3.11Å; A177-E181 PolarHBondContact O-N 3.05Å; A177-E181 VanDerWaalsContact O-N 3.07Å |
| 178 | R | 91.6 | Very high | 88.4 | Confident | 54 Ų | 54 | 63.2 Ų | 63.2 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 178.1 | -168.2 | 173.2 | -168.9 | 80.2 | 21.3 | 113.2 | D117 S119 P121 E174 I175 R176 M180 E181 D182 | D117-R178 IonicContact OD1-CZ 3.51Å; D117-R178 IonicContact OD1-NH2 2.92Å; D117-R178 PolarHBondContact OD1-NH2 3.13Å; D117-R178 IonicContact OD2-CZ 3.1Å; D117-R178 IonicContact OD2-NE 3.42Å; D117-R178 PolarHBondContact OD2-NE 3.02Å; D117-R178 IonicContact OD2-NH1 3.82Å; D117-R178 IonicContact OD2-NH2 2.57Å; D117-R178 PolarHBondContact OD2-NH2 2.84Å; S119-R178 VanDerWaalsContact CB-NH1 3.28Å; S119-R178 PolarHBondContact O-NH1 3.48Å; S119-R178 VanDerWaalsContact OG-CZ 3.24Å; S119-R178 PolarHBondContact OG-NH1 3.05Å; S119-R178 PolarHBondContact OG-NH2 2.97Å; P121-R178 VanDerWaalsContact CD-CD 3.45Å; P121-R178 HydrophobicContact CG-CB 4.35Å; E174-R178 WeakPolarHBondContact O-CB 3.46Å; E174-R178 PolarHBondContact O-N 2.76Å; I175-R178 PolarHBondContact O-N 3.42Å; R176-R178 VanDerWaalsContact C-N 3.34Å; R176-R178 PolarHBondContact O-N 3.41Å; R178-M180 PolarHBondContact O-N 3.45Å; R178-E181 PolarHBondContact O-N 3.46Å; R178-E181 VanDerWaalsContact O-N 3.15Å; R178-D182 PolarHBondContact O-N 3.31Å |
| 179 | K | 91.1 | Very high | 87 | Confident | 64 Ų | 64 | 69.2 Ų | 69.2 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.9 | -35.1 | 175.1 | -75 | -178.5 | 180 | -173.1 | 0 | 112.6 | L14 E87 I175 R176 A177 S183 | L14-K179 PolarHBondContact O-NZ 3Å; E87-K179 WeakPolarHBondContact OE1-CE 3.47Å; E87-K179 IonicContact OE1-NZ 2.81Å; E87-K179 PolarHBondContact OE1-NZ 3.38Å; E87-K179 VanDerWaalsContact OE2-CE 3.25Å; E87-K179 WeakPolarHBondContact OE2-CE 3.35Å; E87-K179 IonicContact OE2-NZ 2.95Å; E87-K179 PolarHBondContact OE2-NZ 3.03Å; I175-K179 HydrophobicContact CG2-CD 4.21Å; I175-K179 HydrophobicContact CG2-CG 4.5Å; I175-K179 WeakPolarHBondContact O-CG 3.45Å; I175-K179 PolarHBondContact O-N 3.26Å; R176-K179 PolarHBondContact O-N 3.38Å; A177-K179 PolarHBondContact O-N 2.88Å; K179-S183 WeakPolarHBondContact O-CB 3.24Å; K179-S183 PolarHBondContact O-N 2.87Å; K179-S183 PolarHBondContact O-OG 3.27Å |
| 180 | M | 89.1 | Confident | 85.4 | Confident | 100 Ų | 100 | 74 Ų | 74 | 49% | 0.493 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.6 | -39.7 | 175.9 | -67.7 | -161.7 | -166.8 | 0 | 0 | 112 | R176 A177 R178 S183 K184 | R176-M180 HydrophobicContact CG-CE 3.94Å; R176-M180 WeakPolarHBondContact O-CG 3.32Å; R176-M180 PolarHBondContact O-N 3.48Å; R176-M180 VanDerWaalsContact O-N 3.1Å; A177-M180 WeakPolarHBondContact O-CB 3.47Å; A177-M180 PolarHBondContact O-N 3.46Å; A177-M180 VanDerWaalsContact O-N 3.11Å; R178-M180 PolarHBondContact O-N 3.45Å; M180-S183 PolarHBondContact O-N 3.09Å; M180-K184 WeakPolarHBondContact O-CG 3.14Å; M180-K184 PolarHBondContact O-N 3.31Å |
| 181 | E | 88.3 | Confident | 83.7 | Confident | 117 Ų | 117 | 80 Ų | 80 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 176.4 | -70.8 | 174 | 175.4 | 0 | 0 | 111.7 | A177 R178 S183 K184 E185 | A177-E181 PolarHBondContact O-N 3.05Å; A177-E181 VanDerWaalsContact O-N 3.07Å; R178-E181 PolarHBondContact O-N 3.46Å; R178-E181 VanDerWaalsContact O-N 3.15Å; E181-S183 PolarHBondContact O-N 2.91Å; E181-K184 WeakPolarHBondContact O-CB 3.43Å; E181-K184 PolarHBondContact O-N 3.05Å; E181-K184 VanDerWaalsContact O-N 3.08Å; E181-E185 PolarHBondContact O-N 2.93Å |
| 182 | D | 84.1 | Confident | 82.3 | Confident | 70 Ų | 70 | 89.5 Ų | 89.5 | 37% | 0.374 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.1 | -39.9 | 175.9 | -79.8 | -11 | 0 | 0 | 0 | 112.5 | R178 K186 | R178-D182 PolarHBondContact O-N 3.31Å; D182-K186 WeakPolarHBondContact O-CB 3.42Å; D182-K186 WeakPolarHBondContact O-CD 3.23Å; D182-K186 VanDerWaalsContact O-CG 3.24Å; D182-K186 WeakPolarHBondContact O-CG 3.43Å; D182-K186 PolarHBondContact O-N 3.31Å |
| 183 | S | 82.1 | Confident | 80.7 | Confident | 69 Ų | 69 | 97.3 Ų | 97.3 | 48% | 0.483 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 179.3 | -63.1 | 0 | 0 | 0 | 0 | 111.8 | K179 M180 E181 N187 | K179-S183 WeakPolarHBondContact O-CB 3.24Å; K179-S183 PolarHBondContact O-N 2.87Å; K179-S183 PolarHBondContact O-OG 3.27Å; M180-S183 PolarHBondContact O-N 3.09Å; E181-S183 PolarHBondContact O-N 2.91Å; S183-N187 WeakPolarHBondContact O-CB 3.11Å; S183-N187 PolarHBondContact O-N 2.98Å; S183-N187 VanDerWaalsContact O-N 3.11Å |
| 184 | K | 78.6 | Confident | 79.4 | Confident | 155 Ų | 155 | 96.1 Ų | 96.1 | 67% | 0.674 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.1 | -44.8 | 175.2 | -74.2 | 172.2 | -177.3 | 173.9 | 0 | 111.3 | M180 E181 N187 G188 | M180-K184 WeakPolarHBondContact O-CG 3.14Å; M180-K184 PolarHBondContact O-N 3.31Å; E181-K184 WeakPolarHBondContact O-CB 3.43Å; E181-K184 PolarHBondContact O-N 3.05Å; E181-K184 VanDerWaalsContact O-N 3.08Å; K184-N187 PolarHBondContact O-N 3.28Å; K184-G188 PolarHBondContact O-N 3.49Å |
| 185 | E | 74.5 | Confident | 78.2 | Confident | 112 Ų | 112 | 98.1 Ų | 98.1 | 52% | 0.523 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 176.8 | -80.3 | -152.2 | -179.3 | 0 | 0 | 113.1 | E181 N187 G188 K189 | E181-E185 PolarHBondContact O-N 2.93Å; E185-N187 VanDerWaalsContact C-N 3.28Å; E185-N187 PolarHBondContact O-N 3.04Å; E185-G188 PolarHBondContact O-N 3.04Å; E185-K189 WeakPolarHBondContact O-CB 3.44Å; E185-K189 PolarHBondContact O-N 2.98Å; E185-K189 IonicContact OE2-NZ 3.91Å; E185-K189 PolarHBondContact OE2-NZ 3.21Å |
| 186 | K | 72.7 | Confident | 76.8 | Confident | 131 Ų | 131 | 99.9 Ų | 99.9 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.5 | -39.7 | 178.6 | -75 | 169 | -176.7 | 165.8 | 0 | 111 | D182 K190 | D182-K186 WeakPolarHBondContact O-CB 3.42Å; D182-K186 WeakPolarHBondContact O-CD 3.23Å; D182-K186 VanDerWaalsContact O-CG 3.24Å; D182-K186 WeakPolarHBondContact O-CG 3.43Å; D182-K186 PolarHBondContact O-N 3.31Å; K186-K190 WeakPolarHBondContact O-CB 3.49Å; K186-K190 WeakPolarHBondContact O-CG 3.32Å; K186-K190 PolarHBondContact O-N 2.81Å |
| 187 | N | 68.2 | Low | 75.5 | Confident | 97 Ų | 97 | 103 Ų | 103 | 52% | 0.519 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70 | -37.7 | 175.3 | -86.4 | -3.6 | 0 | 0 | 0 | 113.2 | S183 K184 E185 K190 K191 | S183-N187 WeakPolarHBondContact O-CB 3.11Å; S183-N187 PolarHBondContact O-N 2.98Å; S183-N187 VanDerWaalsContact O-N 3.11Å; K184-N187 PolarHBondContact O-N 3.28Å; E185-N187 VanDerWaalsContact C-N 3.28Å; E185-N187 PolarHBondContact O-N 3.04Å; N187-K190 PolarHBondContact O-N 3.5Å; N187-K191 WeakPolarHBondContact O-CB 3.46Å; N187-K191 WeakPolarHBondContact O-CG 3.36Å; N187-K191 PolarHBondContact O-N 3.09Å |
| 188 | G | 65.6 | Low | 74.2 | Confident | 33 Ų | 33 | 109.6 Ų | 109.6 | 34% | 0.34 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K184 E185 K191 R192 | K184-G188 PolarHBondContact O-N 3.49Å; E185-G188 PolarHBondContact O-N 3.04Å; G188-K191 PolarHBondContact O-N 3.41Å; G188-R192 WeakPolarHBondContact O-CG 3.49Å; G188-R192 PolarHBondContact O-N 3.25Å |
| 189 | K | 67.5 | Low | 73 | Confident | 127 Ų | 127 | 111.6 Ų | 111.6 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.9 | -41 | 175 | -74.4 | 165.2 | 177.5 | 155.3 | 0 | 111.6 | E185 K193 | E185-K189 WeakPolarHBondContact O-CB 3.44Å; E185-K189 PolarHBondContact O-N 2.98Å; E185-K189 IonicContact OE2-NZ 3.91Å; E185-K189 PolarHBondContact OE2-NZ 3.21Å; K189-K193 WeakPolarHBondContact O-CG 3.45Å; K189-K193 PolarHBondContact O-N 2.98Å |
| 190 | K | 64.9 | Low | 71.6 | Confident | 142 Ų | 142 | 116.2 Ų | 116.2 | 62% | 0.617 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.5 | -45.7 | 173.6 | -79.6 | 178.2 | -179 | 176.9 | 0 | 112.7 | K186 N187 K193 S194 | K186-K190 WeakPolarHBondContact O-CB 3.49Å; K186-K190 WeakPolarHBondContact O-CG 3.32Å; K186-K190 PolarHBondContact O-N 2.81Å; N187-K190 PolarHBondContact O-N 3.5Å; K190-K193 PolarHBondContact O-N 3.32Å; K190-S194 PolarHBondContact O-N 3.04Å; K190-S194 PolarHBondContact O-OG 3.41Å |
| 191 | K | 62.3 | Low | 70.3 | Confident | 158 Ų | 158 | 116.9 Ų | 116.9 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60 | -46.5 | 176.1 | -79.8 | -174.7 | 177.2 | -178 | 0 | 111.3 | N187 G188 K193 S194 L195 | N187-K191 WeakPolarHBondContact O-CB 3.46Å; N187-K191 WeakPolarHBondContact O-CG 3.36Å; N187-K191 PolarHBondContact O-N 3.09Å; G188-K191 PolarHBondContact O-N 3.41Å; K191-K193 PolarHBondContact O-N 3.17Å; K191-S194 PolarHBondContact O-N 2.69Å; K191-S194 PolarHBondContact O-OG 3.1Å; K191-L195 WeakPolarHBondContact O-CB 3.41Å; K191-L195 PolarHBondContact O-N 3.42Å |
| 192 | R | 68.6 | Low | 68.9 | Low | 201 Ų | 201 | 121.8 Ų | 121.8 | 76% | 0.758 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.6 | -43 | 176 | -74.2 | 175.5 | 72.1 | 131 | -2 | 112.6 | G188 L195 A196 | G188-R192 WeakPolarHBondContact O-CG 3.49Å; G188-R192 PolarHBondContact O-N 3.25Å; R192-L195 PolarHBondContact O-N 2.68Å; R192-A196 VanDerWaalsContact O-CB 3.29Å; R192-A196 WeakPolarHBondContact O-CB 3.47Å; R192-A196 PolarHBondContact O-N 3.13Å |
| 193 | K | 66.2 | Low | 67.2 | Low | 164 Ų | 164 | 123.4 Ų | 123.4 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.8 | -40.9 | 174.8 | -76.1 | -175.2 | 178.5 | -176.1 | 0 | 112.3 | K189 K190 K191 K197 | K189-K193 WeakPolarHBondContact O-CG 3.45Å; K189-K193 PolarHBondContact O-N 2.98Å; K190-K193 PolarHBondContact O-N 3.32Å; K191-K193 PolarHBondContact O-N 3.17Å; K193-K197 WeakPolarHBondContact O-CB 3.45Å; K193-K197 PolarHBondContact O-N 3.28Å |
| 194 | S | 69.8 | Low | 65.3 | Low | 63 Ų | 63 | 125.3 Ų | 125.3 | 44% | 0.441 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.6 | -37.3 | 176.6 | 74.3 | 0 | 0 | 0 | 0 | 112.8 | K190 K191 K197 R198 | K190-S194 PolarHBondContact O-N 3.04Å; K190-S194 PolarHBondContact O-OG 3.41Å; K191-S194 PolarHBondContact O-N 2.69Å; K191-S194 PolarHBondContact O-OG 3.1Å; S194-K197 PolarHBondContact O-N 3.28Å; S194-R198 WeakPolarHBondContact O-CB 3.47Å; S194-R198 PolarHBondContact O-N 2.96Å |
| 195 | L | 71.5 | Confident | 63.6 | Low | 101 Ų | 101 | 124.8 Ų | 124.8 | 53% | 0.529 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -70 | -45.4 | 176.9 | -176.5 | 63.7 | 0 | 0 | 0 | 110.6 | K191 R192 K197 R198 I199 | K191-L195 WeakPolarHBondContact O-CB 3.41Å; K191-L195 PolarHBondContact O-N 3.42Å; R192-L195 PolarHBondContact O-N 2.68Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.6Å; L195-R198 PolarHBondContact O-N 3.06Å; L195-I199 HydrophobicContact CD1-CD1 4.24Å; L195-I199 HydrophobicContact CD1-CG1 4.47Å; L195-I199 HydrophobicContact CG-CD1 3.93Å; L195-I199 WeakPolarHBondContact O-CB 3.21Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.33Å; L195-I199 PolarHBondContact O-N 3.47Å |
| 196 | A | 66.3 | Low | 61.9 | Low | 39 Ų | 39 | 131.3 Ų | 131.3 | 32% | 0.322 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63 | -33.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R192 R200 | R192-A196 VanDerWaalsContact O-CB 3.29Å; R192-A196 WeakPolarHBondContact O-CB 3.47Å; R192-A196 PolarHBondContact O-N 3.13Å; A196-R200 WeakPolarHBondContact O-CB 3.19Å; A196-R200 WeakPolarHBondContact O-CG 3.31Å; A196-R200 PolarHBondContact O-N 3.33Å; A196-R200 PolarHBondContact O-NE 3.42Å |
| 197 | K | 68.8 | Low | 61.3 | Low | 121 Ų | 121 | 131.4 Ų | 131.4 | 53% | 0.526 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.7 | -49.2 | 171.6 | -176.3 | 173.7 | 174.3 | 177.2 | 0 | 111.3 | K193 S194 L195 I199 R200 E201 | K193-K197 WeakPolarHBondContact O-CB 3.45Å; K193-K197 PolarHBondContact O-N 3.28Å; S194-K197 PolarHBondContact O-N 3.28Å; L195-K197 VanDerWaalsContact C-N 3.28Å; L195-K197 PolarHBondContact O-N 2.6Å; K197-I199 PolarHBondContact O-N 3.01Å; K197-R200 PolarHBondContact O-N 3.15Å; K197-E201 WeakPolarHBondContact CE-OE1 3.49Å; K197-E201 WeakPolarHBondContact CG-OE1 3.4Å; K197-E201 IonicContact NZ-OE1 3.06Å; K197-E201 WeakPolarHBondContact O-CG 3.41Å; K197-E201 PolarHBondContact O-N 3.31Å |
| 198 | R | 66.6 | Low | 61 | Low | 184 Ų | 184 | 133.2 Ų | 133.2 | 69% | 0.694 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -60.8 | -38.4 | 176.5 | -84.1 | 177.7 | 144.8 | -171.1 | -6.1 | 113.9 | S194 L195 R202 | S194-R198 WeakPolarHBondContact O-CB 3.47Å; S194-R198 PolarHBondContact O-N 2.96Å; L195-R198 PolarHBondContact O-N 3.06Å; R198-R202 PolarHBondContact O-N 3.2Å; R198-R202 VanDerWaalsContact O-N 3.15Å |
| 199 | I | 66.6 | Low | 60.7 | Low | 96 Ų | 96 | 138.7 Ų | 138.7 | 49% | 0.492 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -67.2 | -44.3 | 176.9 | -69.9 | 168.4 | 0 | 0 | 0 | 110.3 | L195 K197 E201 R202 C203 | L195-I199 HydrophobicContact CD1-CD1 4.24Å; L195-I199 HydrophobicContact CD1-CG1 4.47Å; L195-I199 HydrophobicContact CG-CD1 3.93Å; L195-I199 WeakPolarHBondContact O-CB 3.21Å; L195-I199 VanDerWaalsContact O-CG1 3.3Å; L195-I199 WeakPolarHBondContact O-CG1 3.33Å; L195-I199 PolarHBondContact O-N 3.47Å; K197-I199 PolarHBondContact O-N 3.01Å; I199-E201 PolarHBondContact O-N 2.89Å; I199-R202 PolarHBondContact O-N 2.96Å; I199-C203 PolarHBondContact O-N 3.17Å; I199-C203 VanDerWaalsContact O-N 3.1Å |
| 200 | R | 60.9 | Low | 60.3 | Low | 161 Ų | 161 | 139.4 Ų | 139.4 | 61% | 0.608 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -62.2 | -42.6 | 175.9 | -78.3 | 179.3 | -71.5 | -149 | 3.1 | 112.6 | A196 K197 R202 C203 C204 | A196-R200 WeakPolarHBondContact O-CB 3.19Å; A196-R200 WeakPolarHBondContact O-CG 3.31Å; A196-R200 PolarHBondContact O-N 3.33Å; A196-R200 PolarHBondContact O-NE 3.42Å; K197-R200 PolarHBondContact O-N 3.15Å; R200-R202 VanDerWaalsContact C-N 3.27Å; R200-R202 PolarHBondContact O-N 2.67Å; R200-C203 PolarHBondContact O-N 2.93Å; R200-C204 PolarHBondContact O-N 3.49Å; R200-C204 PolarHBondContact O-SG 2.99Å; R200-C204 VanDerWaalsContact O-SG 3.4Å |
| 201 | E | 61.9 | Low | 60 | Low | 113 Ų | 113 | 139.3 Ų | 139.3 | 53% | 0.528 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -66.1 | -27.3 | 177.6 | -72.4 | 167.5 | 176.3 | 0 | 0 | 112.9 | K197 I199 | K197-E201 WeakPolarHBondContact CE-OE1 3.49Å; K197-E201 WeakPolarHBondContact CG-OE1 3.4Å; K197-E201 IonicContact NZ-OE1 3.06Å; K197-E201 WeakPolarHBondContact O-CG 3.41Å; K197-E201 PolarHBondContact O-N 3.31Å; I199-E201 PolarHBondContact O-N 2.89Å |
| 202 | R | 58.9 | Low | 59.9 | Low | 220 Ų | 220 | 138 Ų | 138 | 83% | 0.83 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -81.2 | -25.5 | 174.3 | -103.8 | -180 | 167 | -176 | -5.2 | 114.2 | R198 I199 R200 | R198-R202 PolarHBondContact O-N 3.2Å; R198-R202 VanDerWaalsContact O-N 3.15Å; I199-R202 PolarHBondContact O-N 2.96Å; R200-R202 VanDerWaalsContact C-N 3.27Å; R200-R202 PolarHBondContact O-N 2.67Å |
| 203 | C | 48.7 | Very low | 59.2 | Low | 104 Ų | 104 | 133.5 Ų | 133.5 | 70% | 0.703 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -87.7 | -8.5 | -179.9 | -76 | 0 | 0 | 0 | 0 | 114.1 | I199 R200 | I199-C203 PolarHBondContact O-N 3.17Å; I199-C203 VanDerWaalsContact O-N 3.1Å; R200-C203 PolarHBondContact O-N 2.93Å |
| 204 | C | 42.1 | Very low | 58.7 | Low | 109 Ų | 109 | 131.2 Ų | 131.2 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | trans | -98.4 | 24.2 | -178.8 | -67.7 | 0 | 0 | 0 | 0 | 114.5 | R200 | R200-C204 PolarHBondContact O-N 3.49Å; R200-C204 PolarHBondContact O-SG 2.99Å; R200-C204 VanDerWaalsContact O-SG 3.4Å | ||
| 205 | I | 43.2 | Very low | 57.8 | Low | 145 Ų | 145 | 136.8 Ų | 136.8 | 74% | 0.744 | 67% | 0.668 | S | S | * | * | trans | -104.4 | 83.1 | 167 | -53 | 176.6 | 0 | 0 | 0 | 107.8 | ||||
| 206 | L | 38.2 | Very low | 56.5 | Low | 249 Ų | 249 | 140.1 Ų | 140.1 | 100% | 1.304 | 68% | 0.681 | S | S | * | * | trans | -153.6 | 0 | 152.7 | -85.8 | -179.1 | 0 | 0 | 0 | 107.6 |
Retrieved 206 of 206 residues in 1194.4 ms
(Link to these results)