| 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 | 35.8 | Very low | 75.8 | Confident | 245 Ų | 245 | 76 Ų | 76 | 100% | 1.207 | 45% | 0.451 | S | S | * | . | 0 | 116 | 0 | -63.4 | -168.5 | -130.4 | 0 | 0 | 106 | G3 | M1-G3 PolarHBondContact O-N 2.91Š| |||
| 2 | A | 39 | Very low | 77.7 | Confident | 107 Ų | 107 | 69.7 Ų | 69.7 | 88% | 0.884 | 41% | 0.413 | S | S | * | . | trans | -69.4 | 116 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | K4 | A2-K4 PolarHBondContact O-N 2.61Š| ||
| 3 | G | 53.9 | Low | 79.4 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 67% | 0.67 | 38% | 0.382 | S | S | * | . | trans | -56.4 | 137.1 | 177 | 0 | 0 | 0 | 0 | 0 | 109.9 | M1 S5 | M1-G3 PolarHBondContact O-N 2.91Å; G3-S5 PolarHBondContact O-N 2.88Å; G3-S5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | K | 59.6 | Low | 80.7 | Confident | 176 Ų | 176 | 59.8 Ų | 59.8 | 77% | 0.765 | 36% | 0.355 | S | S | * | . | trans | -56.6 | 116 | 170.5 | -177.6 | -174.4 | 175.9 | -164.5 | 0 | 107.1 | A2 S6 | A2-K4 PolarHBondContact O-N 2.61Å; K4-S6 PolarHBondContact O-N 3.17Å | ||
| 5 | S | 67.6 | Low | 81.9 | Confident | 86 Ų | 86 | 57.6 Ų | 57.6 | 60% | 0.601 | 34% | 0.341 | S | S | * | . | trans | -72.9 | 113.5 | 173.2 | 178 | 0 | 0 | 0 | 0 | 108 | G3 | G3-S5 PolarHBondContact O-N 2.88Å; G3-S5 VanDerWaalsContact O-N 3.12Å | ||
| 6 | S | 89.3 | Confident | 82.8 | Confident | 21 Ų | 21 | 56 Ų | 56 | 15% | 0.147 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 133.6 | 177.4 | -67.6 | 0 | 0 | 0 | 0 | 110.1 | K4 V56 T57 | K4-S6 PolarHBondContact O-N 3.17Å; S6-V56 WeakPolarHBondContact O-CA 3.32Å; S6-T57 PolarHBondContact O-N 3.47Å |
| 7 | L | 95.6 | Very high | 83.6 | Confident | 105 Ų | 105 | 55.5 Ų | 55.5 | 55% | 0.55 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 117 | 172.6 | 176 | 68.7 | 0 | 0 | 0 | 108.2 | T57 Q59 | L7-T57 CarbonylContact C-O 3.6Å; L7-T57 WeakPolarHBondContact CA-O 3.31Å; L7-T57 HydrophobicContact CD1-CG2 3.75Å; L7-Q59 HydrophobicContact CD1-CB 4.15Å |
| 8 | F | 97.8 | Very high | 84.4 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.009 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.3 | 178.8 | -64.1 | -26.2 | 0 | 0 | 0 | 111.7 | V56 T57 M58 Q59 D81 V169 V172 L173 | F8-V56 HydrophobicContact CD2-CB 4.17Å; F8-V56 HydrophobicContact CD2-CG1 4.1Å; F8-V56 HydrophobicContact CD2-CG2 4.47Å; F8-V56 HydrophobicContact CE2-CB 4.24Å; F8-V56 HydrophobicContact CE2-CG1 3.66Å; F8-V56 HydrophobicContact CZ-CG1 4.32Å; F8-T57 PolarHBondContact N-O 3.29Å; F8-M58 CarbonylContact O-C 3.54Å; F8-M58 WeakPolarHBondContact O-CA 3.28Å; F8-Q59 PolarHBondContact O-N 2.88Å; F8-D81 WeakPolarHBondContact CA-OD2 3.49Å; F8-V169 HydrophobicContact CD2-CG1 4.12Å; F8-V169 HydrophobicContact CE2-CG1 3.98Å; F8-V172 HydrophobicContact CD1-CG1 3.64Å; F8-V172 HydrophobicContact CD2-CB 4.25Å; F8-V172 HydrophobicContact CD2-CG1 4.01Å; F8-V172 HydrophobicContact CE1-CG1 3.56Å; F8-V172 HydrophobicContact CE2-CB 4.23Å; F8-V172 HydrophobicContact CE2-CG1 3.92Å; F8-V172 HydrophobicContact CG-CB 4.48Å; F8-V172 HydrophobicContact CG-CG1 3.89Å; F8-V172 HydrophobicContact CZ-CB 4.45Å; F8-V172 HydrophobicContact CZ-CG1 3.71Å; F8-L173 HydrophobicContact CE2-CD2 3.89Å; F8-L173 HydrophobicContact CE2-CG 3.96Å; F8-L173 HydrophobicContact CZ-CD2 3.73Å; F8-L173 HydrophobicContact CZ-CG 4.2Å |
| 9 | K | 98.3 | Very high | 85.1 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 12% | 0.122 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 108.8 | 175 | 177.8 | 164.6 | 169.5 | -170.1 | 0 | 110.4 | Q59 W61 F76 R78 G79 S80 D81 C82 | K9-Q59 WeakPolarHBondContact CA-O 3.48Å; K9-W61 HydrophobicContact CD-CZ2 4.43Å; K9-W61 HydrophobicContact CG-CG 4.49Å; K9-F76 VanDerWaalsContact CE-O 3.27Å; K9-F76 WeakPolarHBondContact CE-O 3.36Å; K9-F76 PolarHBondContact NZ-O 3.41Å; K9-R78 PolarHBondContact NZ-O 2.82Å; K9-G79 WeakPolarHBondContact CD-O 3.38Å; K9-S80 WeakPolarHBondContact CE-OG 3.3Å; K9-D81 PolarHBondContact N-OD2 3.41Å; K9-D81 PolarHBondContact O-N 3.45Å; K9-C82 PolarHBondContact O-N 3.05Å |
| 10 | V | 98.6 | Very high | 85.7 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.8 | 178.3 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | M58 Q59 I60 W61 C82 L84 A168 | V10-M58 HydrophobicContact CB-CG 4.2Å; V10-M58 HydrophobicContact CB-SD 4.33Å; V10-M58 HydrophobicContact CG2-CE 4.22Å; V10-M58 HydrophobicContact CG2-CG 3.69Å; V10-M58 HydrophobicContact CG2-SD 3.97Å; V10-Q59 PolarHBondContact N-O 2.91Å; V10-I60 CarbonylContact O-C 3.51Å; V10-I60 WeakPolarHBondContact O-CA 3.17Å; V10-W61 PolarHBondContact O-N 3.12Å; V10-C82 WeakPolarHBondContact CA-O 3.19Å; V10-C82 HydrophobicContact CG2-CB 4.34Å; V10-L84 HydrophobicContact CG1-CD1 3.69Å; V10-L84 HydrophobicContact CG1-CD2 4.38Å; V10-L84 HydrophobicContact CG1-CG 3.68Å; V10-A168 HydrophobicContact CG1-CB 4.48Å |
| 11 | I | 98.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.5 | -178.4 | -166.8 | 167.3 | 0 | 0 | 0 | 112.1 | L13 W61 T63 Y77 C82 C83 L84 F105 | I11-L13 HydrophobicContact CD1-CD2 4.32Å; I11-L13 HydrophobicContact CG1-CD2 4.26Å; I11-W61 HydrophobicContact CB-CB 4.24Å; I11-W61 HydrophobicContact CG1-CB 3.96Å; I11-T63 HydrophobicContact CD1-CG2 3.82Å; I11-T63 HydrophobicContact CG1-CG2 3.75Å; I11-Y77 HydrophobicContact CD1-CD1 3.45Å; I11-Y77 VanDerWaalsContact CD1-CD1 3.45Å; I11-Y77 HydrophobicContact CD1-CE1 3.88Å; I11-Y77 HydrophobicContact CD1-CG 4.36Å; I11-C82 PolarHBondContact N-O 2.95Å; I11-C83 HydrophobicContact CG2-CB 4.06Å; I11-C83 WeakPolarHBondContact O-CA 3.44Å; I11-L84 PolarHBondContact O-N 2.94Å; I11-F105 HydrophobicContact CG2-CD2 4.22Å; I11-F105 HydrophobicContact CG2-CE2 3.71Å |
| 12 | L | 98.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 123.1 | 174.6 | -71.4 | 149.7 | 0 | 0 | 0 | 110 | K20 M24 I60 W61 T63 L84 L122 F165 | L12-K20 HydrophobicContact CB-CB 4.12Å; L12-K20 HydrophobicContact CB-CD 4.19Å; L12-K20 HydrophobicContact CB-CG 4.3Å; L12-M24 HydrophobicContact CD1-CB 3.9Å; L12-I60 HydrophobicContact CD1-CG2 3.77Å; L12-W61 PolarHBondContact N-O 3.2Å; L12-T63 PolarHBondContact O-OG1 2.61Å; L12-L84 HydrophobicContact CD2-CB 3.71Å; L12-L84 HydrophobicContact CD2-CD1 3.69Å; L12-L84 HydrophobicContact CD2-CG 4.32Å; L12-L84 HydrophobicContact CG-CB 4.29Å; L12-L84 HydrophobicContact CG-CD1 4.19Å; L12-L122 HydrophobicContact CD2-CD1 4.33Å; L12-F165 HydrophobicContact CD1-CZ 4.34Å; L12-F165 HydrophobicContact CD2-CZ 4.35Å |
| 13 | L | 98.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 155.5 | 175.6 | -64 | -172.8 | 0 | 0 | 0 | 111.3 | I11 T63 Y77 L84 L85 T86 W101 F105 | I11-L13 HydrophobicContact CD1-CD2 4.32Å; I11-L13 HydrophobicContact CG1-CD2 4.26Å; L13-T63 HydrophobicContact CD2-CG2 4.06Å; L13-T63 WeakPolarHBondContact CD2-OG1 3.1Å; L13-Y77 HydrophobicContact CD1-CE1 4.38Å; L13-Y77 HydrophobicContact CD1-CE2 4.05Å; L13-Y77 HydrophobicContact CD2-CD1 4.48Å; L13-Y77 HydrophobicContact CD2-CE1 3.53Å; L13-Y77 HydrophobicContact CD2-CE2 4.49Å; L13-Y77 VanDerWaalsContact CD2-OH 3.31Å; L13-Y77 WeakPolarHBondContact CD2-OH 3.22Å; L13-L84 PolarHBondContact N-O 3.26Å; L13-L85 HydrophobicContact CB-CD2 4.11Å; L13-T86 WeakPolarHBondContact O-CB 3.29Å; L13-T86 PolarHBondContact O-N 2.91Å; L13-W101 HydrophobicContact CB-CE3 3.99Å; L13-W101 HydrophobicContact CD1-CE3 4.39Å; L13-W101 HydrophobicContact CD2-CE3 4.45Å; L13-W101 HydrophobicContact CD2-CZ3 4.35Å; L13-F105 HydrophobicContact CD1-CB 3.66Å; L13-F105 HydrophobicContact CD1-CD2 3.79Å; L13-F105 HydrophobicContact CD1-CG 4.06Å |
| 14 | G | 98.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | trans | 144.5 | 167.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.2 | K20 G65 T86 W101 | G14-K20 PolarHBondContact O-NZ 2.7Å; G14-G65 WeakPolarHBondContact O-CA 3.19Å; G14-T86 VanDerWaalsContact CA-O 3.28Å; G14-T86 WeakPolarHBondContact CA-O 3.23Å; G14-W101 VanDerWaalsContact C-CE2 3.41Å; G14-W101 VanDerWaalsContact O-CZ2 3.23Å; G14-W101 WeakPolarHBondContact O-CZ2 3.47Å | ||
| 15 | D | 98.4 | Very high | 96 | Very high | 27 Ų | 27 | 21.7 Ų | 21.7 | 14% | 0.144 | 15% | 0.147 | C | C | . | . | trans | -60.1 | 163.9 | -175.4 | -76.7 | 11.5 | 0 | 0 | 0 | 113.3 | G17 V18 K20 S94 N97 W101 | D15-G17 PolarHBondContact O-N 2.87Å; D15-V18 HydrophobicContact CB-CG1 3.86Å; D15-V18 VanDerWaalsContact O-CG2 3.29Å; D15-V18 WeakPolarHBondContact O-CG2 3.39Å; D15-K20 PolarHBondContact O-NZ 3.31Å; D15-S94 WeakPolarHBondContact OD2-CA 3.5Å; D15-N97 PolarHBondContact OD2-ND2 2.85Å; D15-W101 PolarHBondContact OD1-NE1 3.42Å | ||
| 16 | G | 96.6 | Very high | 97.4 | Very high | 32 Ų | 32 | 19.4 Ų | 19.4 | 33% | 0.33 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 135 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V18 G65 | G16-V18 VanDerWaalsContact C-N 3.34Å; G16-V18 PolarHBondContact O-N 3.35Å; G16-G65 PolarHBondContact N-O 3.4Å |
| 17 | G | 95.7 | Very high | 97.8 | Very high | 48 Ų | 48 | 19.2 Ų | 19.2 | 50% | 0.495 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -0.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | D15 G19 K125 | D15-G17 PolarHBondContact O-N 2.87Å; G17-G19 PolarHBondContact O-N 3.01Å; G17-K125 VanDerWaalsContact O-CE 3.23Å; G17-K125 WeakPolarHBondContact O-CE 3.45Å; G17-K125 PolarHBondContact O-NZ 3.46Å |
| 18 | V | 97.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -70.5 | -13.2 | 174.3 | -54.4 | 0 | 0 | 0 | 0 | 113.5 | D15 G16 K20 T86 N124 | D15-V18 HydrophobicContact CB-CG1 3.86Å; D15-V18 VanDerWaalsContact O-CG2 3.29Å; D15-V18 WeakPolarHBondContact O-CG2 3.39Å; G16-V18 VanDerWaalsContact C-N 3.34Å; G16-V18 PolarHBondContact O-N 3.35Å; V18-K20 HydrophobicContact CG2-CD 4.42Å; V18-K20 HydrophobicContact CG2-CG 3.75Å; V18-T86 HydrophobicContact CB-CG2 4.43Å; V18-T86 HydrophobicContact CG2-CG2 3.81Å; V18-N124 PolarHBondContact O-ND2 2.83Å |
| 19 | G | 97.6 | Very high | 97.8 | Very high | 13 Ų | 13 | 19 Ų | 19 | 13% | 0.134 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 99.4 | 23 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | G17 S21 S22 L23 | G17-G19 PolarHBondContact O-N 3.01Å; G19-S21 PolarHBondContact O-N 3.1Å; G19-S22 WeakPolarHBondContact O-CB 3.33Å; G19-S22 PolarHBondContact O-N 3.15Å; G19-S22 VanDerWaalsContact O-N 3.14Å; G19-L23 WeakPolarHBondContact O-CG 3.41Å; G19-L23 PolarHBondContact O-N 3.36Å |
| 20 | K | 98.2 | Very high | 97.6 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 4% | 0.039 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -52.3 | -54 | 176 | -60.4 | -175.2 | -60.2 | -71.2 | 0 | 113.1 | L12 G14 D15 V18 S22 L23 M24 D62 T63 T86 | L12-K20 HydrophobicContact CB-CB 4.12Å; L12-K20 HydrophobicContact CB-CD 4.19Å; L12-K20 HydrophobicContact CB-CG 4.3Å; G14-K20 PolarHBondContact O-NZ 2.7Å; D15-K20 PolarHBondContact O-NZ 3.31Å; V18-K20 HydrophobicContact CG2-CD 4.42Å; V18-K20 HydrophobicContact CG2-CG 3.75Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.37Å; K20-L23 PolarHBondContact O-N 3.29Å; K20-L23 VanDerWaalsContact O-N 3.17Å; K20-M24 PolarHBondContact O-N 3.3Å; K20-D62 WeakPolarHBondContact CB-OD1 3.13Å; K20-T63 WeakPolarHBondContact CE-O 3.42Å; K20-T86 HydrophobicContact CG-CG2 4.35Å |
| 21 | S | 97.6 | Very high | 97.4 | Very high | 21 Ų | 21 | 30.3 Ų | 30.3 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -38.5 | 176.6 | -36.1 | 0 | 0 | 0 | 0 | 111.9 | G19 M24 N25 T39 D62 | G19-S21 PolarHBondContact O-N 3.1Å; S21-M24 PolarHBondContact O-N 3.07Å; S21-N25 VanDerWaalsContact O-CB 3.29Å; S21-N25 WeakPolarHBondContact O-CB 3.23Å; S21-N25 VanDerWaalsContact O-CG 3.27Å; S21-N25 PolarHBondContact O-N 3.5Å; S21-N25 PolarHBondContact O-ND2 3.12Å; S21-T39 PolarHBondContact OG-OG1 2.87Å; S21-T39 VanDerWaalsContact OG-OG1 3.12Å; S21-D62 WeakPolarHBondContact CB-OD2 3.38Å; S21-D62 PolarHBondContact N-OD1 2.79Å; S21-D62 PolarHBondContact OG-OD1 3.34Å; S21-D62 PolarHBondContact OG-OD2 3.47Å |
| 22 | S | 98 | Very high | 97.1 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 176.7 | -49.4 | 0 | 0 | 0 | 0 | 112 | G19 K20 R26 L36 | G19-S22 WeakPolarHBondContact O-CB 3.33Å; G19-S22 PolarHBondContact O-N 3.15Å; G19-S22 VanDerWaalsContact O-N 3.14Å; K20-S22 VanDerWaalsContact C-N 3.28Å; K20-S22 PolarHBondContact O-N 3.37Å; S22-R26 WeakPolarHBondContact O-CB 3.48Å; S22-R26 PolarHBondContact O-N 3.24Å; S22-L36 VanDerWaalsContact OG-CD1 3.24Å; S22-L36 WeakPolarHBondContact OG-CD1 3.24Å |
| 23 | L | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -47.5 | 176.1 | -75.5 | 166.8 | 0 | 0 | 0 | 111.1 | G19 K20 R26 Y27 T86 L122 N124 A155 V161 F165 | G19-L23 WeakPolarHBondContact O-CG 3.41Å; G19-L23 PolarHBondContact O-N 3.36Å; K20-L23 PolarHBondContact O-N 3.29Å; K20-L23 VanDerWaalsContact O-N 3.17Å; L23-R26 PolarHBondContact O-N 3.04Å; L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 PolarHBondContact O-N 2.78Å; L23-T86 HydrophobicContact CD1-CG2 3.78Å; L23-L122 HydrophobicContact CD1-CD1 3.94Å; L23-N124 HydrophobicContact CD1-CB 4.19Å; L23-A155 HydrophobicContact CD2-CB 4Å; L23-A155 HydrophobicContact CG-CB 4.15Å; L23-V161 HydrophobicContact CD2-CG1 4.33Å; L23-V161 HydrophobicContact CD2-CG2 3.81Å; L23-F165 HydrophobicContact CB-CE2 4.48Å |
| 24 | M | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.4 | -51.8 | 175.4 | -178.7 | -178.1 | 68.1 | 0 | 0 | 110.9 | L12 K20 S21 R26 Y27 V28 L45 I60 D62 | L12-M24 HydrophobicContact CD1-CB 3.9Å; K20-M24 PolarHBondContact O-N 3.3Å; S21-M24 PolarHBondContact O-N 3.07Å; M24-R26 PolarHBondContact O-N 3.36Å; M24-Y27 PolarHBondContact O-N 3Å; M24-V28 HydrophobicContact CG-CG2 4.45Å; M24-V28 WeakPolarHBondContact O-CB 3.37Å; M24-V28 WeakPolarHBondContact O-CG2 3.49Å; M24-V28 PolarHBondContact O-N 2.98Å; M24-L45 HydrophobicContact CE-CD1 4.04Å; M24-L45 HydrophobicContact CE-CG 4.16Å; M24-L45 HydrophobicContact CG-CB 4.49Å; M24-L45 HydrophobicContact CG-CD1 4.12Å; M24-L45 HydrophobicContact SD-CB 4.26Å; M24-L45 HydrophobicContact SD-CD1 4.25Å; M24-L45 HydrophobicContact SD-CG 4.11Å; M24-I60 HydrophobicContact CB-CG2 4.28Å; M24-I60 HydrophobicContact CG-CB 4.25Å; M24-I60 HydrophobicContact CG-CG2 3.79Å; M24-I60 HydrophobicContact SD-CB 4.44Å; M24-I60 HydrophobicContact SD-CG2 4.14Å; M24-D62 HydrophobicContact CE-CB 3.6Å; M24-D62 HydrophobicContact SD-CB 3.69Å |
| 25 | N | 96.8 | Very high | 95 | Very high | 41 Ų | 41 | 50.6 Ų | 50.6 | 22% | 0.219 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | -179.4 | -74.9 | -26.2 | 0 | 0 | 0 | 112.3 | S21 Y27 T29 N30 K31 | S21-N25 VanDerWaalsContact O-CB 3.29Å; S21-N25 WeakPolarHBondContact O-CB 3.23Å; S21-N25 VanDerWaalsContact O-CG 3.27Å; S21-N25 PolarHBondContact O-N 3.5Å; S21-N25 PolarHBondContact O-ND2 3.12Å; N25-Y27 VanDerWaalsContact C-N 3.35Å; N25-T29 WeakPolarHBondContact O-CA 3.15Å; N25-T29 WeakPolarHBondContact O-CB 3.3Å; N25-T29 PolarHBondContact O-N 3.27Å; N25-T29 PolarHBondContact O-OG1 2.91Å; N25-N30 PolarHBondContact O-N 3.19Å; N25-K31 CarbonylContact C-O 3.57Å |
| 26 | R | 98 | Very high | 94 | Very high | 37 Ų | 37 | 52.7 Ų | 52.7 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.3 | 171.9 | 54.6 | 73.5 | -172.1 | 4.5 | 110.5 | S22 L23 M24 N30 K31 A155 K156 A158 V161 | S22-R26 WeakPolarHBondContact O-CB 3.48Å; S22-R26 PolarHBondContact O-N 3.24Å; L23-R26 PolarHBondContact O-N 3.04Å; M24-R26 PolarHBondContact O-N 3.36Å; R26-N30 VanDerWaalsContact NH1-C 3.3Å; R26-N30 PolarHBondContact NH1-O 2.69Å; R26-N30 PolarHBondContact NH1-OD1 3.26Å; R26-N30 WeakPolarHBondContact O-CA 3.39Å; R26-N30 PolarHBondContact O-N 3.39Å; R26-K31 WeakPolarHBondContact CA-O 3.44Å; R26-K31 PolarHBondContact N-O 3.05Å; R26-A155 HydrophobicContact CB-CB 4.39Å; R26-A155 PolarHBondContact NE-O 3.13Å; R26-K156 PolarHBondContact NH2-O 3.09Å; R26-A158 HydrophobicContact CG-CB 4.19Å; R26-V161 HydrophobicContact CB-CG1 4.45Å; R26-V161 HydrophobicContact CG-CB 4.28Å; R26-V161 HydrophobicContact CG-CG1 4.02Å; R26-V161 HydrophobicContact CG-CG2 4.06Å |
| 27 | Y | 98.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 60.1 Ų | 60.1 | 7% | 0.071 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.1 | -41.4 | -177 | -177.1 | -124 | 0 | 0 | 0 | 113.5 | L23 M24 N25 K47 L49 M58 I60 V161 A162 F165 | L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 PolarHBondContact O-N 2.78Å; M24-Y27 PolarHBondContact O-N 3Å; N25-Y27 VanDerWaalsContact C-N 3.35Å; Y27-K47 HydrophobicContact CD1-CD 3.73Å; Y27-K47 HydrophobicContact CD2-CD 4.49Å; Y27-K47 HydrophobicContact CE1-CD 3.26Å; Y27-K47 HydrophobicContact CE2-CD 4.07Å; Y27-K47 HydrophobicContact CG-CD 4.34Å; Y27-K47 VanDerWaalsContact CZ-CD 3.45Å; Y27-K47 PolarHBondContact O-NZ 3.28Å; Y27-L49 VanDerWaalsContact OH-CD1 3.29Å; Y27-L49 WeakPolarHBondContact OH-CD1 3.25Å; Y27-M58 HydrophobicContact CE1-SD 4.03Å; Y27-I60 HydrophobicContact CD1-CD1 3.55Å; Y27-I60 HydrophobicContact CE1-CD1 3.89Å; Y27-V161 HydrophobicContact CD2-CG1 4.42Å; Y27-V161 HydrophobicContact CG-CG1 4.48Å; Y27-A162 HydrophobicContact CD2-CB 4.35Å; Y27-A162 HydrophobicContact CE2-CB 4.11Å; Y27-F165 HydrophobicContact CD1-CB 3.83Å; Y27-F165 AromaticContact CD1-CD1 3.78Å; Y27-F165 HydrophobicContact CD1-CD1 3.78Å; Y27-F165 AromaticContact CD1-CD2 3.55Å; Y27-F165 HydrophobicContact CD1-CD2 3.55Å; Y27-F165 HydrophobicContact CD1-CE1 4.2Å; Y27-F165 HydrophobicContact CD1-CE2 4.01Å; Y27-F165 AromaticContact CD1-CG 3.44Å; Y27-F165 HydrophobicContact CD1-CG 3.44Å; Y27-F165 VanDerWaalsContact CD1-CG 3.44Å; Y27-F165 HydrophobicContact CD1-CZ 4.31Å; Y27-F165 HydrophobicContact CD2-CB 4.16Å; Y27-F165 AromaticContact CD2-CD2 3.87Å; Y27-F165 HydrophobicContact CD2-CD2 3.87Å; Y27-F165 HydrophobicContact CD2-CG 4.22Å; Y27-F165 HydrophobicContact CE1-CB 3.38Å; Y27-F165 AromaticContact CE1-CD1 3.87Å; Y27-F165 HydrophobicContact CE1-CD1 3.87Å; Y27-F165 HydrophobicContact CE1-CD2 4.06Å; Y27-F165 AromaticContact CE1-CG 3.51Å; Y27-F165 HydrophobicContact CE1-CG 3.51Å; Y27-F165 HydrophobicContact CE2-CB 3.78Å; Y27-F165 HydrophobicContact CE2-CD2 4.38Å; Y27-F165 HydrophobicContact CE2-CG 4.32Å; Y27-F165 HydrophobicContact CG-CB 4.17Å; Y27-F165 HydrophobicContact CG-CD1 4.49Å; Y27-F165 AromaticContact CG-CD2 3.42Å; Y27-F165 HydrophobicContact CG-CD2 3.42Å; Y27-F165 VanDerWaalsContact CG-CD2 3.42Å; Y27-F165 AromaticContact CG-CE2 3.87Å; Y27-F165 HydrophobicContact CG-CE2 3.87Å; Y27-F165 AromaticContact CG-CG 3.79Å; Y27-F165 HydrophobicContact CG-CG 3.79Å; Y27-F165 AromaticContact CZ-CG 3.96Å |
| 28 | V | 97.3 | Very high | 92.9 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 22% | 0.218 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -80.8 | -46.3 | -176.1 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | M24 L45 K47 I60 | M24-V28 HydrophobicContact CG-CG2 4.45Å; M24-V28 WeakPolarHBondContact O-CB 3.37Å; M24-V28 WeakPolarHBondContact O-CG2 3.49Å; M24-V28 PolarHBondContact O-N 2.98Å; V28-L45 HydrophobicContact CB-CB 4.47Å; V28-L45 HydrophobicContact CB-CD1 3.97Å; V28-L45 HydrophobicContact CG1-CB 4.15Å; V28-L45 HydrophobicContact CG1-CD1 3.97Å; V28-L45 HydrophobicContact CG2-CB 3.97Å; V28-L45 HydrophobicContact CG2-CD1 4.13Å; V28-K47 HydrophobicContact CG2-CB 4.41Å; V28-I60 HydrophobicContact CG2-CD1 3.7Å |
| 29 | T | 95.3 | Very high | 92.3 | Very high | 65 Ų | 65 | 64.9 Ų | 64.9 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -109.7 | -6.1 | -168.8 | 73.5 | 0 | 0 | 0 | 0 | 114.1 | N25 K31 | N25-T29 WeakPolarHBondContact O-CA 3.15Å; N25-T29 WeakPolarHBondContact O-CB 3.3Å; N25-T29 PolarHBondContact O-N 3.27Å; N25-T29 PolarHBondContact O-OG1 2.91Å; T29-K31 PolarHBondContact O-N 3.25Å; T29-K31 WeakPolarHBondContact OG1-CB 3.41Å; T29-K31 PolarHBondContact OG1-N 3.4Å |
| 30 | N | 94.8 | Very high | 91.7 | Very high | 117 Ų | 117 | 69.2 Ų | 69.2 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | S | Bend | trans | 53.6 | 33 | -171.5 | -161.5 | 23.4 | 0 | 0 | 0 | 113.8 | N25 R26 | N25-N30 PolarHBondContact O-N 3.19Å; R26-N30 VanDerWaalsContact NH1-C 3.3Å; R26-N30 PolarHBondContact NH1-O 2.69Å; R26-N30 PolarHBondContact NH1-OD1 3.26Å; R26-N30 WeakPolarHBondContact O-CA 3.39Å; R26-N30 PolarHBondContact O-N 3.39Å |
| 31 | K | 92.8 | Very high | 91.2 | Very high | 151 Ų | 151 | 69.9 Ų | 69.9 | 66% | 0.657 | 36% | 0.357 | S | S | * | . | trans | -119.1 | 147.9 | 176.5 | -64.7 | 177.4 | -178 | 179 | 0 | 110.5 | N25 R26 T29 | N25-K31 CarbonylContact C-O 3.57Å; R26-K31 WeakPolarHBondContact CA-O 3.44Å; R26-K31 PolarHBondContact N-O 3.05Å; T29-K31 PolarHBondContact O-N 3.25Å; T29-K31 WeakPolarHBondContact OG1-CB 3.41Å; T29-K31 PolarHBondContact OG1-N 3.4Å | ||
| 32 | F | 93.7 | Very high | 91 | Very high | 74 Ų | 74 | 70.5 Ų | 70.5 | 33% | 0.325 | 36% | 0.36 | S | S | . | . | trans | -126.2 | 129.4 | 170.1 | 176.3 | -99.7 | 0 | 0 | 0 | 108.4 | T34 A155 K156 | F32-T34 HydrophobicContact CD1-CG2 4.33Å; F32-T34 HydrophobicContact CE1-CG2 3.67Å; F32-A155 HydrophobicContact CD2-CB 4.17Å; F32-A155 WeakPolarHBondContact CD2-O 3.22Å; F32-A155 HydrophobicContact CE2-CB 4.27Å; F32-K156 HydrophobicContact CD1-CB 4.38Å; F32-K156 HydrophobicContact CD1-CG 4.09Å; F32-K156 HydrophobicContact CD2-CB 4.34Å; F32-K156 HydrophobicContact CE1-CB 4.1Å; F32-K156 HydrophobicContact CE1-CG 3.79Å; F32-K156 HydrophobicContact CE2-CB 4.06Å; F32-K156 HydrophobicContact CG-CB 4.49Å; F32-K156 HydrophobicContact CZ-CB 3.94Å; F32-K156 HydrophobicContact CZ-CG 4.09Å | ||
| 33 | D | 89.6 | Confident | 90.8 | Very high | 86 Ų | 86 | 75.5 Ų | 75.5 | 46% | 0.46 | 38% | 0.381 | S | S | . | . | trans | -117 | 125 | 176.5 | -171.9 | -8.8 | 0 | 0 | 0 | 108.9 | Q35 L36 | D33-Q35 VanDerWaalsContact C-N 3.26Å; D33-Q35 PolarHBondContact O-N 2.94Å; D33-Q35 PolarHBondContact OD1-N 3.5Å; D33-L36 HydrophobicContact CB-CD2 4.4Å; D33-L36 HydrophobicContact CB-CG 4.13Å | ||
| 34 | T | 82.7 | Confident | 90.7 | Very high | 118 Ų | 118 | 80.1 Ų | 80.1 | 72% | 0.724 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -18.2 | 176.9 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | F32 | F32-T34 HydrophobicContact CD1-CG2 4.33Å; F32-T34 HydrophobicContact CE1-CG2 3.67Å |
| 35 | Q | 79.7 | Confident | 90.7 | Very high | 149 Ų | 149 | 82.7 Ų | 82.7 | 70% | 0.696 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 38.4 | -173.3 | -60.5 | -172.8 | 11.4 | 0 | 0 | 113 | D33 F37 | D33-Q35 VanDerWaalsContact C-N 3.26Å; D33-Q35 PolarHBondContact O-N 2.94Å; D33-Q35 PolarHBondContact OD1-N 3.5Å; Q35-F37 PolarHBondContact O-N 3.47Å |
| 36 | L | 76.3 | Confident | 90.7 | Very high | 71 Ų | 71 | 84.9 Ų | 84.9 | 37% | 0.372 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 123.1 | 174.6 | -71 | 165.1 | 0 | 0 | 0 | 110.9 | S22 D33 | S22-L36 VanDerWaalsContact OG-CD1 3.24Å; S22-L36 WeakPolarHBondContact OG-CD1 3.24Å; D33-L36 HydrophobicContact CB-CD2 4.4Å; D33-L36 HydrophobicContact CB-CG 4.13Å |
| 37 | F | 83 | Confident | 90.7 | Very high | 187 Ų | 187 | 86 Ų | 86 | 82% | 0.82 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 163.8 | 171.2 | -66.5 | -81.7 | 0 | 0 | 0 | 111.3 | Q35 T39 | Q35-F37 PolarHBondContact O-N 3.47Å; F37-T39 PolarHBondContact O-N 2.93Å |
| 38 | H | 86.4 | Confident | 90.6 | Very high | 123 Ų | 123 | 90.9 Ų | 90.9 | 57% | 0.569 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 128.2 | 173.4 | -63.3 | -56.9 | 0 | 0 | 0 | 111.5 | I40 Q66 | H38-I40 PolarHBondContact O-N 3.01Å; H38-Q66 PolarHBondContact CD2-NE2 3.3Å; H38-Q66 VanDerWaalsContact CD2-NE2 3.33Å |
| 39 | T | 85.5 | Confident | 90.5 | Very high | 26 Ų | 26 | 90.4 Ų | 90.4 | 16% | 0.16 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 121.5 | 169.2 | -43.1 | 0 | 0 | 0 | 0 | 109.8 | S21 F37 D62 A64 | S21-T39 PolarHBondContact OG-OG1 2.87Å; S21-T39 VanDerWaalsContact OG-OG1 3.12Å; F37-T39 PolarHBondContact O-N 2.93Å; T39-D62 PolarHBondContact OG1-OD2 3.24Å; T39-A64 WeakPolarHBondContact O-CB 3.4Å |
| 40 | I | 85.7 | Confident | 90.5 | Very high | 105 Ų | 105 | 92.8 Ų | 92.8 | 54% | 0.538 | 46% | 0.463 | S | S | . | . | trans | -90.5 | -27.8 | 179.4 | -65.2 | 176.4 | 0 | 0 | 0 | 111.3 | H38 F69 L72 | H38-I40 PolarHBondContact O-N 3.01Å; I40-F69 HydrophobicContact CB-CE2 4.42Å; I40-F69 HydrophobicContact CB-CZ 4.37Å; I40-F69 HydrophobicContact CG1-CE2 4.09Å; I40-F69 HydrophobicContact CG1-CZ 3.99Å; I40-F69 HydrophobicContact CG2-CD1 4.14Å; I40-F69 HydrophobicContact CG2-CE1 3.86Å; I40-F69 HydrophobicContact CG2-CZ 4.08Å; I40-F69 WeakPolarHBondContact O-CB 3.26Å; I40-F69 WeakPolarHBondContact O-CG 3.45Å; I40-L72 HydrophobicContact CG2-CD1 4.27Å; I40-L72 VanDerWaalsContact O-CD1 3.23Å; I40-L72 WeakPolarHBondContact O-CD1 3.35Å | ||
| 41 | G | 87.5 | Confident | 90.5 | Very high | 22 Ų | 22 | 87.4 Ų | 87.4 | 23% | 0.227 | 43% | 0.434 | C | S | . | . | S | Bend | trans | -130.6 | -122.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A64 | G41-A64 WeakPolarHBondContact O-CB 2.98Å; G41-A64 PolarHBondContact O-N 3.49Å |
| 42 | V | 92.9 | Very high | 90.4 | Very high | 34 Ų | 34 | 85.8 Ų | 85.8 | 21% | 0.206 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 135.4 | -177.7 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | W61 D62 T63 R73 F76 | V42-W61 HydrophobicContact CG1-CE3 3.44Å; V42-W61 VanDerWaalsContact CG1-CE3 3.44Å; V42-W61 HydrophobicContact CG1-CZ3 3.95Å; V42-D62 WeakPolarHBondContact CA-O 3.36Å; V42-D62 WeakPolarHBondContact CG1-O 3.38Å; V42-T63 HydrophobicContact CG2-CG2 4.33Å; V42-R73 HydrophobicContact CG2-CB 4.04Å; V42-F76 HydrophobicContact CB-CD2 3.95Å; V42-F76 HydrophobicContact CB-CE2 4.12Å; V42-F76 HydrophobicContact CB-CG 4.28Å; V42-F76 HydrophobicContact CG1-CB 4.28Å; V42-F76 HydrophobicContact CG1-CD1 4.45Å; V42-F76 HydrophobicContact CG1-CD2 4.24Å; V42-F76 HydrophobicContact CG1-CG 4.07Å; V42-F76 HydrophobicContact CG2-CB 4.41Å; V42-F76 HydrophobicContact CG2-CD2 3.47Å; V42-F76 VanDerWaalsContact CG2-CD2 3.47Å; V42-F76 HydrophobicContact CG2-CE2 3.93Å; V42-F76 HydrophobicContact CG2-CG 4.07Å |
| 43 | E | 94.4 | Very high | 90.3 | Very high | 123 Ų | 123 | 84.7 Ų | 84.7 | 58% | 0.575 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 153.9 | 173.7 | -67.3 | -175.1 | 175.3 | 0 | 0 | 108.6 | W61 D62 | E43-W61 CarbonylContact O-C 3.56Å; E43-W61 WeakPolarHBondContact O-CA 3.4Å; E43-D62 PolarHBondContact N-O 2.92Å; E43-D62 PolarHBondContact O-N 3.45Å |
| 44 | F | 95.9 | Very high | 90.3 | Very high | 98 Ų | 98 | 85 Ų | 85 | 43% | 0.43 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 152 | 173 | 74 | -92.4 | 0 | 0 | 0 | 112.1 | Q59 I60 W61 | F44-Q59 HydrophobicContact CB-CG 4.34Å; F44-Q59 HydrophobicContact CD2-CG 3.7Å; F44-Q59 HydrophobicContact CE2-CG 4.37Å; F44-Q59 HydrophobicContact CG-CG 4.21Å; F44-I60 CarbonylContact C-O 3.56Å; F44-I60 WeakPolarHBondContact CA-O 3.18Å; F44-I60 VanDerWaalsContact CB-O 3.25Å; F44-I60 WeakPolarHBondContact CB-O 3.45Å; F44-W61 HydrophobicContact CB-CD2 3.92Å; F44-W61 HydrophobicContact CB-CE3 4.17Å; F44-W61 HydrophobicContact CB-CG 4.1Å; F44-W61 HydrophobicContact CD1-CE3 4.37Å; F44-W61 HydrophobicContact CD1-CH2 4.04Å; F44-W61 HydrophobicContact CD1-CZ2 4.31Å; F44-W61 HydrophobicContact CD1-CZ3 4.05Å; F44-W61 HydrophobicContact CE1-CH2 4.47Å |
| 45 | L | 97.3 | Very high | 90.9 | Very high | 56 Ų | 56 | 85.5 Ų | 85.5 | 29% | 0.293 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.7 | 172.6 | -67 | 179.3 | 0 | 0 | 0 | 109.9 | M24 V28 I60 | M24-L45 HydrophobicContact CE-CD1 4.04Å; M24-L45 HydrophobicContact CE-CG 4.16Å; M24-L45 HydrophobicContact CG-CB 4.49Å; M24-L45 HydrophobicContact CG-CD1 4.12Å; M24-L45 HydrophobicContact SD-CB 4.26Å; M24-L45 HydrophobicContact SD-CD1 4.25Å; M24-L45 HydrophobicContact SD-CG 4.11Å; V28-L45 HydrophobicContact CB-CB 4.47Å; V28-L45 HydrophobicContact CB-CD1 3.97Å; V28-L45 HydrophobicContact CG1-CB 4.15Å; V28-L45 HydrophobicContact CG1-CD1 3.97Å; V28-L45 HydrophobicContact CG2-CB 3.97Å; V28-L45 HydrophobicContact CG2-CD1 4.13Å; L45-I60 PolarHBondContact N-O 2.47Å; L45-I60 PolarHBondContact O-N 2.86Å |
| 46 | N | 97.5 | Very high | 91.7 | Very high | 87 Ų | 87 | 78.6 Ų | 78.6 | 47% | 0.465 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 145 | 173.3 | -67.5 | -18.9 | 0 | 0 | 0 | 110.4 | T57 M58 Q59 | N46-T57 HydrophobicContact CB-CG2 4.45Å; N46-M58 CarbonylContact C-O 3.59Å; N46-M58 VanDerWaalsContact CA-O 3.3Å; N46-M58 WeakPolarHBondContact CA-O 3.33Å; N46-Q59 WeakPolarHBondContact OD1-CG 3.26Å |
| 47 | K | 97.2 | Very high | 92.7 | Very high | 59 Ų | 59 | 76.6 Ų | 76.6 | 26% | 0.257 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 122 | 169 | -170.3 | -170.7 | 179.1 | 76.1 | 0 | 109.5 | Y27 V28 L49 M58 | Y27-K47 HydrophobicContact CD1-CD 3.73Å; Y27-K47 HydrophobicContact CD2-CD 4.49Å; Y27-K47 HydrophobicContact CE1-CD 3.26Å; Y27-K47 HydrophobicContact CE2-CD 4.07Å; Y27-K47 HydrophobicContact CG-CD 4.34Å; Y27-K47 VanDerWaalsContact CZ-CD 3.45Å; Y27-K47 PolarHBondContact O-NZ 3.28Å; V28-K47 HydrophobicContact CG2-CB 4.41Å; K47-L49 WeakPolarHBondContact O-CD2 3.48Å; K47-M58 PolarHBondContact N-O 3.39Å; K47-M58 PolarHBondContact O-N 2.84Å |
| 48 | D | 97.2 | Very high | 93.4 | Very high | 121 Ų | 121 | 67.7 Ų | 67.7 | 65% | 0.647 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 136.4 | 169.8 | -61.9 | -31.3 | 0 | 0 | 0 | 109.5 | V56 T57 | D48-V56 WeakPolarHBondContact CA-O 3.46Å; D48-T57 VanDerWaalsContact OD1-CB 3.3Å; D48-T57 WeakPolarHBondContact OD1-CB 3.41Å; D48-T57 VanDerWaalsContact OD1-CG2 3.31Å; D48-T57 WeakPolarHBondContact OD1-CG2 3.44Å; D48-T57 PolarHBondContact OD1-OG1 2.96Å |
| 49 | L | 95.3 | Very high | 94 | Very high | 26 Ų | 26 | 63.4 Ų | 63.4 | 14% | 0.136 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 162.8 | 178.5 | 66.3 | 160.8 | 0 | 0 | 0 | 112 | Y27 K47 V51 V56 M58 E166 V169 | Y27-L49 VanDerWaalsContact OH-CD1 3.29Å; Y27-L49 WeakPolarHBondContact OH-CD1 3.25Å; K47-L49 WeakPolarHBondContact O-CD2 3.48Å; L49-V51 HydrophobicContact CD1-CG2 3.49Å; L49-V51 VanDerWaalsContact CD1-CG2 3.49Å; L49-V51 HydrophobicContact CG-CG2 4.1Å; L49-V56 HydrophobicContact CD2-CG2 3.64Å; L49-V56 HydrophobicContact CG-CG2 3.75Å; L49-V56 PolarHBondContact N-O 3.32Å; L49-V56 PolarHBondContact O-N 3.14Å; L49-M58 HydrophobicContact CD2-CB 3.82Å; L49-M58 HydrophobicContact CD2-CE 4.42Å; L49-E166 HydrophobicContact CD1-CG 4.3Å; L49-V169 HydrophobicContact CD1-CG2 4.17Å |
| 50 | E | 94.8 | Very high | 94.6 | Very high | 115 Ų | 115 | 62.2 Ų | 62.2 | 54% | 0.537 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.2 | 170.6 | -172.1 | -176.4 | 164 | 0 | 0 | 108.4 | H54 F55 | E50-H54 VanDerWaalsContact CA-O 3.31Å; E50-H54 WeakPolarHBondContact CA-O 3.04Å; E50-F55 HydrophobicContact CB-CD1 3.97Å; E50-F55 HydrophobicContact CB-CE1 3.89Å; E50-F55 VanDerWaalsContact CD-CZ 3.45Å; E50-F55 HydrophobicContact CG-CD1 4.11Å; E50-F55 HydrophobicContact CG-CE1 3.88Å; E50-F55 HydrophobicContact CG-CE2 4.43Å; E50-F55 HydrophobicContact CG-CG 4.49Å; E50-F55 HydrophobicContact CG-CZ 4.05Å; E50-F55 WeakPolarHBondContact OE2-CE1 3.41Å; E50-F55 WeakPolarHBondContact OE2-CZ 3.43Å |
| 51 | V | 94.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121.2 | 176.2 | -178 | 0 | 0 | 0 | 0 | 108.2 | L49 G53 H54 E166 V169 R170 | L49-V51 HydrophobicContact CD1-CG2 3.49Å; L49-V51 VanDerWaalsContact CD1-CG2 3.49Å; L49-V51 HydrophobicContact CG-CG2 4.1Å; V51-G53 PolarHBondContact O-N 2.91Å; V51-G53 VanDerWaalsContact O-N 3.13Å; V51-H54 PolarHBondContact N-O 3.21Å; V51-H54 WeakPolarHBondContact O-CB 3.11Å; V51-H54 PolarHBondContact O-N 2.88Å; V51-E166 HydrophobicContact CG2-CB 4.44Å; V51-E166 HydrophobicContact CG2-CG 4.31Å; V51-V169 HydrophobicContact CB-CB 4.34Å; V51-V169 HydrophobicContact CB-CG1 3.86Å; V51-V169 HydrophobicContact CG1-CB 4.4Å; V51-V169 HydrophobicContact CG1-CG1 4.25Å; V51-V169 HydrophobicContact CG2-CB 3.97Å; V51-V169 HydrophobicContact CG2-CG1 3.83Å; V51-V169 HydrophobicContact CG2-CG2 4.18Å; V51-R170 HydrophobicContact CG1-CG 3.63Å |
| 52 | D | 92.5 | Very high | 95.7 | Very high | 117 Ų | 117 | 57.6 Ų | 57.6 | 63% | 0.626 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 41.2 | 178.5 | -54.6 | -32.4 | 0 | 0 | 0 | 113.2 | H54 R170 | D52-H54 VanDerWaalsContact C-N 3.32Å; D52-H54 PolarHBondContact O-N 2.61Å; D52-H54 PolarHBondContact O-ND1 3.08Å; D52-R170 WeakPolarHBondContact OD2-CD 3.15Å; D52-R170 WeakPolarHBondContact OD2-CG 3.37Å; D52-R170 IonicContact OD2-NE 3.87Å |
| 53 | G | 90.9 | Very high | 95.8 | Very high | 51 Ų | 51 | 56 Ų | 56 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 1.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | V51 | V51-G53 PolarHBondContact O-N 2.91Å; V51-G53 VanDerWaalsContact O-N 3.13Å |
| 54 | H | 90.6 | Very high | 95.8 | Very high | 91 Ų | 91 | 50.1 Ų | 50.1 | 42% | 0.421 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.6 | 178.6 | -61.4 | 79.8 | 0 | 0 | 0 | 110.8 | E50 V51 D52 V56 L173 | E50-H54 VanDerWaalsContact CA-O 3.31Å; E50-H54 WeakPolarHBondContact CA-O 3.04Å; V51-H54 PolarHBondContact N-O 3.21Å; V51-H54 WeakPolarHBondContact O-CB 3.11Å; V51-H54 PolarHBondContact O-N 2.88Å; D52-H54 VanDerWaalsContact C-N 3.32Å; D52-H54 PolarHBondContact O-N 2.61Å; D52-H54 PolarHBondContact O-ND1 3.08Å; H54-V56 HydrophobicContact CB-CG1 4.44Å; H54-L173 HydrophobicContact CB-CD1 3.99Å; H54-L173 HydrophobicContact CB-CD2 4.31Å |
| 55 | F | 94.4 | Very high | 95.6 | Very high | 130 Ų | 130 | 45.9 Ų | 45.9 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.4 | 173.3 | -65.8 | -82.4 | 0 | 0 | 0 | 110.5 | E50 | E50-F55 HydrophobicContact CB-CD1 3.97Å; E50-F55 HydrophobicContact CB-CE1 3.89Å; E50-F55 VanDerWaalsContact CD-CZ 3.45Å; E50-F55 HydrophobicContact CG-CD1 4.11Å; E50-F55 HydrophobicContact CG-CE1 3.88Å; E50-F55 HydrophobicContact CG-CE2 4.43Å; E50-F55 HydrophobicContact CG-CG 4.49Å; E50-F55 HydrophobicContact CG-CZ 4.05Å; E50-F55 WeakPolarHBondContact OE2-CE1 3.41Å; E50-F55 WeakPolarHBondContact OE2-CZ 3.43Å |
| 56 | V | 96.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146.4 | -176.7 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | S6 F8 D48 L49 H54 V169 | S6-V56 WeakPolarHBondContact O-CA 3.32Å; F8-V56 HydrophobicContact CD2-CB 4.17Å; F8-V56 HydrophobicContact CD2-CG1 4.1Å; F8-V56 HydrophobicContact CD2-CG2 4.47Å; F8-V56 HydrophobicContact CE2-CB 4.24Å; F8-V56 HydrophobicContact CE2-CG1 3.66Å; F8-V56 HydrophobicContact CZ-CG1 4.32Å; D48-V56 WeakPolarHBondContact CA-O 3.46Å; L49-V56 HydrophobicContact CD2-CG2 3.64Å; L49-V56 HydrophobicContact CG-CG2 3.75Å; L49-V56 PolarHBondContact N-O 3.32Å; L49-V56 PolarHBondContact O-N 3.14Å; H54-V56 HydrophobicContact CB-CG1 4.44Å; V56-V169 HydrophobicContact CG1-CG1 4.27Å; V56-V169 HydrophobicContact CG2-CG1 3.88Å; V56-V169 HydrophobicContact CG2-CG2 4.24Å |
| 57 | T | 97.5 | Very high | 95 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 17% | 0.172 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114.9 | 164.1 | -61.7 | 0 | 0 | 0 | 0 | 107.7 | S6 L7 F8 N46 D48 | S6-T57 PolarHBondContact O-N 3.47Å; L7-T57 CarbonylContact C-O 3.6Å; L7-T57 WeakPolarHBondContact CA-O 3.31Å; L7-T57 HydrophobicContact CD1-CG2 3.75Å; F8-T57 PolarHBondContact N-O 3.29Å; N46-T57 HydrophobicContact CB-CG2 4.45Å; D48-T57 VanDerWaalsContact OD1-CB 3.3Å; D48-T57 WeakPolarHBondContact OD1-CB 3.41Å; D48-T57 VanDerWaalsContact OD1-CG2 3.31Å; D48-T57 WeakPolarHBondContact OD1-CG2 3.44Å; D48-T57 PolarHBondContact OD1-OG1 2.96Å |
| 58 | M | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.4 | 174.1 | -172.7 | -172.9 | -71.4 | 0 | 0 | 109.9 | F8 V10 Y27 N46 K47 L49 I60 F165 V169 | F8-M58 CarbonylContact O-C 3.54Å; F8-M58 WeakPolarHBondContact O-CA 3.28Å; V10-M58 HydrophobicContact CB-CG 4.2Å; V10-M58 HydrophobicContact CB-SD 4.33Å; V10-M58 HydrophobicContact CG2-CE 4.22Å; V10-M58 HydrophobicContact CG2-CG 3.69Å; V10-M58 HydrophobicContact CG2-SD 3.97Å; Y27-M58 HydrophobicContact CE1-SD 4.03Å; N46-M58 CarbonylContact C-O 3.59Å; N46-M58 VanDerWaalsContact CA-O 3.3Å; N46-M58 WeakPolarHBondContact CA-O 3.33Å; K47-M58 PolarHBondContact N-O 3.39Å; K47-M58 PolarHBondContact O-N 2.84Å; L49-M58 HydrophobicContact CD2-CB 3.82Å; L49-M58 HydrophobicContact CD2-CE 4.42Å; M58-I60 HydrophobicContact CG-CD1 4.36Å; M58-I60 HydrophobicContact CG-CG1 3.65Å; M58-I60 HydrophobicContact SD-CD1 3.75Å; M58-I60 HydrophobicContact SD-CG1 3.49Å; M58-I60 WeakPolarHBondContact SD-CG1 3.35Å; M58-F165 HydrophobicContact CE-CB 4.34Å; M58-F165 WeakPolarHBondContact CE-O 3.44Å; M58-F165 HydrophobicContact SD-CB 4.46Å; M58-F165 HydrophobicContact SD-CD1 3.76Å; M58-V169 HydrophobicContact CE-CG2 3.09Å |
| 59 | Q | 98.4 | Very high | 94.5 | Very high | 34 Ų | 34 | 51.2 Ų | 51.2 | 16% | 0.159 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 107.7 | 168.9 | -172.5 | 178.4 | 66.7 | 0 | 0 | 108.8 | L7 F8 K9 V10 F44 N46 W61 | L7-Q59 HydrophobicContact CD1-CB 4.15Å; F8-Q59 PolarHBondContact O-N 2.88Å; K9-Q59 WeakPolarHBondContact CA-O 3.48Å; V10-Q59 PolarHBondContact N-O 2.91Å; F44-Q59 HydrophobicContact CB-CG 4.34Å; F44-Q59 HydrophobicContact CD2-CG 3.7Å; F44-Q59 HydrophobicContact CE2-CG 4.37Å; F44-Q59 HydrophobicContact CG-CG 4.21Å; N46-Q59 WeakPolarHBondContact OD1-CG 3.26Å; Q59-W61 VanDerWaalsContact CD-NE1 3.3Å; Q59-W61 VanDerWaalsContact CG-NE1 3.33Å; Q59-W61 VanDerWaalsContact OE1-CE2 3.29Å; Q59-W61 VanDerWaalsContact OE1-CZ2 3.25Å |
| 60 | I | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 119.7 | -174.3 | -54.2 | 164.8 | 0 | 0 | 0 | 108.6 | V10 L12 M24 Y27 V28 F44 L45 M58 F165 | V10-I60 CarbonylContact O-C 3.51Å; V10-I60 WeakPolarHBondContact O-CA 3.17Å; L12-I60 HydrophobicContact CD1-CG2 3.77Å; M24-I60 HydrophobicContact CB-CG2 4.28Å; M24-I60 HydrophobicContact CG-CB 4.25Å; M24-I60 HydrophobicContact CG-CG2 3.79Å; M24-I60 HydrophobicContact SD-CB 4.44Å; M24-I60 HydrophobicContact SD-CG2 4.14Å; Y27-I60 HydrophobicContact CD1-CD1 3.55Å; Y27-I60 HydrophobicContact CE1-CD1 3.89Å; V28-I60 HydrophobicContact CG2-CD1 3.7Å; F44-I60 CarbonylContact C-O 3.56Å; F44-I60 WeakPolarHBondContact CA-O 3.18Å; F44-I60 VanDerWaalsContact CB-O 3.25Å; F44-I60 WeakPolarHBondContact CB-O 3.45Å; L45-I60 PolarHBondContact N-O 2.47Å; L45-I60 PolarHBondContact O-N 2.86Å; M58-I60 HydrophobicContact CG-CD1 4.36Å; M58-I60 HydrophobicContact CG-CG1 3.65Å; M58-I60 HydrophobicContact SD-CD1 3.75Å; M58-I60 HydrophobicContact SD-CG1 3.49Å; M58-I60 WeakPolarHBondContact SD-CG1 3.35Å; I60-F165 HydrophobicContact CD1-CD1 4.12Å; I60-F165 HydrophobicContact CD1-CE1 3.91Å; I60-F165 HydrophobicContact CG1-CD1 4.46Å; I60-F165 HydrophobicContact CG1-CE1 4.17Å; I60-F165 HydrophobicContact CG2-CE1 3.76Å; I60-F165 HydrophobicContact CG2-CZ 4.33Å |
| 61 | W | 98.3 | Very high | 94.3 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 12% | 0.117 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 111.3 | -178.5 | -66.5 | 73.6 | 0 | 0 | 0 | 110.1 | K9 V10 I11 L12 V42 E43 F44 Q59 F76 | K9-W61 HydrophobicContact CD-CZ2 4.43Å; K9-W61 HydrophobicContact CG-CG 4.49Å; V10-W61 PolarHBondContact O-N 3.12Å; I11-W61 HydrophobicContact CB-CB 4.24Å; I11-W61 HydrophobicContact CG1-CB 3.96Å; L12-W61 PolarHBondContact N-O 3.2Å; V42-W61 HydrophobicContact CG1-CE3 3.44Å; V42-W61 VanDerWaalsContact CG1-CE3 3.44Å; V42-W61 HydrophobicContact CG1-CZ3 3.95Å; E43-W61 CarbonylContact O-C 3.56Å; E43-W61 WeakPolarHBondContact O-CA 3.4Å; F44-W61 HydrophobicContact CB-CD2 3.92Å; F44-W61 HydrophobicContact CB-CE3 4.17Å; F44-W61 HydrophobicContact CB-CG 4.1Å; F44-W61 HydrophobicContact CD1-CE3 4.37Å; F44-W61 HydrophobicContact CD1-CH2 4.04Å; F44-W61 HydrophobicContact CD1-CZ2 4.31Å; F44-W61 HydrophobicContact CD1-CZ3 4.05Å; F44-W61 HydrophobicContact CE1-CH2 4.47Å; Q59-W61 VanDerWaalsContact CD-NE1 3.3Å; Q59-W61 VanDerWaalsContact CG-NE1 3.33Å; Q59-W61 VanDerWaalsContact OE1-CE2 3.29Å; Q59-W61 VanDerWaalsContact OE1-CZ2 3.25Å; W61-F76 HydrophobicContact CE3-CB 4.26Å; W61-F76 HydrophobicContact CE3-CD1 4.06Å; W61-F76 HydrophobicContact CE3-CG 4.42Å; W61-F76 AromaticContact CH2-CD1 3.93Å; W61-F76 HydrophobicContact CH2-CD1 3.93Å; W61-F76 HydrophobicContact CH2-CE1 4.41Å; W61-F76 HydrophobicContact CZ3-CB 4.29Å; W61-F76 AromaticContact CZ3-CD1 3.28Å; W61-F76 HydrophobicContact CZ3-CD1 3.28Å; W61-F76 AromaticContact CZ3-CE1 3.85Å; W61-F76 HydrophobicContact CZ3-CE1 3.85Å; W61-F76 HydrophobicContact CZ3-CG 4.06Å |
| 62 | D | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 138.9 | 168.7 | -179.5 | 43.1 | 0 | 0 | 0 | 110.5 | K20 S21 M24 T39 V42 E43 | K20-D62 WeakPolarHBondContact CB-OD1 3.13Å; S21-D62 WeakPolarHBondContact CB-OD2 3.38Å; S21-D62 PolarHBondContact N-OD1 2.79Å; S21-D62 PolarHBondContact OG-OD1 3.34Å; S21-D62 PolarHBondContact OG-OD2 3.47Å; M24-D62 HydrophobicContact CE-CB 3.6Å; M24-D62 HydrophobicContact SD-CB 3.69Å; T39-D62 PolarHBondContact OG1-OD2 3.24Å; V42-D62 WeakPolarHBondContact CA-O 3.36Å; V42-D62 WeakPolarHBondContact CG1-O 3.38Å; E43-D62 PolarHBondContact N-O 2.92Å; E43-D62 PolarHBondContact O-N 3.45Å |
| 63 | T | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 151.6 | -173 | 69.2 | 0 | 0 | 0 | 0 | 113 | I11 L12 L13 K20 V42 G65 R73 | I11-T63 HydrophobicContact CD1-CG2 3.82Å; I11-T63 HydrophobicContact CG1-CG2 3.75Å; L12-T63 PolarHBondContact O-OG1 2.61Å; L13-T63 HydrophobicContact CD2-CG2 4.06Å; L13-T63 WeakPolarHBondContact CD2-OG1 3.1Å; K20-T63 WeakPolarHBondContact CE-O 3.42Å; V42-T63 HydrophobicContact CG2-CG2 4.33Å; T63-G65 PolarHBondContact O-N 3.35Å; T63-R73 HydrophobicContact CG2-CB 4.49Å |
| 64 | A | 94 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -61.9 | 118 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | T39 G41 F69 R73 | T39-A64 WeakPolarHBondContact O-CB 3.4Å; G41-A64 WeakPolarHBondContact O-CB 2.98Å; G41-A64 PolarHBondContact O-N 3.49Å; A64-F69 HydrophobicContact CB-CB 3.61Å; A64-F69 HydrophobicContact CB-CD2 4.08Å; A64-F69 HydrophobicContact CB-CG 4.27Å; A64-R73 VanDerWaalsContact O-CD 3.27Å; A64-R73 WeakPolarHBondContact O-CD 3.36Å; A64-R73 PolarHBondContact O-NH1 3.38Å | ||
| 65 | G | 92.4 | Very high | 95 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | trans | -81.6 | -10.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G14 G16 T63 | G14-G65 WeakPolarHBondContact O-CA 3.19Å; G16-G65 PolarHBondContact N-O 3.4Å; T63-G65 PolarHBondContact O-N 3.35Å | ||
| 66 | Q | 92.3 | Very high | 95.1 | Very high | 38 Ų | 38 | 47.3 Ų | 47.3 | 18% | 0.178 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -80.5 | 137.5 | 178.7 | -61.5 | -173.4 | 27.5 | 0 | 0 | 110.8 | H38 R68 F69 R73 | H38-Q66 PolarHBondContact CD2-NE2 3.3Å; H38-Q66 VanDerWaalsContact CD2-NE2 3.33Å; Q66-R68 VanDerWaalsContact C-N 3.26Å; Q66-R68 PolarHBondContact O-N 3.01Å; Q66-R68 VanDerWaalsContact OE1-NH2 3.16Å; Q66-F69 HydrophobicContact CB-CD2 3.8Å; Q66-F69 HydrophobicContact CB-CE2 4.2Å; Q66-F69 HydrophobicContact CG-CD2 4.38Å; Q66-F69 HydrophobicContact CG-CE2 4.41Å; Q66-F69 PolarHBondContact O-N 3.21Å; Q66-F69 VanDerWaalsContact O-N 3.08Å; Q66-R73 PolarHBondContact O-NH1 3.44Å |
| 67 | E | 88.6 | Confident | 95.2 | Very high | 155 Ų | 155 | 47.1 Ų | 47.1 | 72% | 0.724 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -58.8 | -37 | 179.6 | -173.5 | 175.2 | -170.5 | 0 | 0 | 112.9 | F69 R70 | E67-F69 PolarHBondContact O-N 2.99Å; E67-R70 WeakPolarHBondContact O-CB 3.4Å; E67-R70 PolarHBondContact O-N 3.46Å |
| 68 | R | 91.8 | Very high | 95.2 | Very high | 202 Ų | 202 | 53.3 Ų | 53.3 | 76% | 0.762 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -60.1 | -16.3 | 178.1 | -63.5 | -175.4 | -63.1 | 179.1 | 0.2 | 114.1 | Q66 | Q66-R68 VanDerWaalsContact C-N 3.26Å; Q66-R68 PolarHBondContact O-N 3.01Å; Q66-R68 VanDerWaalsContact OE1-NH2 3.16Å |
| 69 | F | 92.3 | Very high | 95.1 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 18% | 0.175 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -106.3 | 12.1 | 177.8 | -56.8 | -44.7 | 0 | 0 | 0 | 113.3 | I40 A64 Q66 E67 S71 L72 R73 | I40-F69 HydrophobicContact CB-CE2 4.42Å; I40-F69 HydrophobicContact CB-CZ 4.37Å; I40-F69 HydrophobicContact CG1-CE2 4.09Å; I40-F69 HydrophobicContact CG1-CZ 3.99Å; I40-F69 HydrophobicContact CG2-CD1 4.14Å; I40-F69 HydrophobicContact CG2-CE1 3.86Å; I40-F69 HydrophobicContact CG2-CZ 4.08Å; I40-F69 WeakPolarHBondContact O-CB 3.26Å; I40-F69 WeakPolarHBondContact O-CG 3.45Å; A64-F69 HydrophobicContact CB-CB 3.61Å; A64-F69 HydrophobicContact CB-CD2 4.08Å; A64-F69 HydrophobicContact CB-CG 4.27Å; Q66-F69 HydrophobicContact CB-CD2 3.8Å; Q66-F69 HydrophobicContact CB-CE2 4.2Å; Q66-F69 HydrophobicContact CG-CD2 4.38Å; Q66-F69 HydrophobicContact CG-CE2 4.41Å; Q66-F69 PolarHBondContact O-N 3.21Å; Q66-F69 VanDerWaalsContact O-N 3.08Å; E67-F69 PolarHBondContact O-N 2.99Å; F69-S71 VanDerWaalsContact C-N 3.32Å; F69-S71 PolarHBondContact O-N 3.32Å; F69-L72 HydrophobicContact CB-CD1 4.41Å; F69-L72 HydrophobicContact CD1-CD1 4.06Å; F69-L72 WeakPolarHBondContact O-CB 3.37Å; F69-L72 PolarHBondContact O-N 2.72Å; F69-R73 PolarHBondContact O-N 2.95Å |
| 70 | R | 92.5 | Very high | 95.1 | Very high | 91 Ų | 91 | 54.7 Ų | 54.7 | 34% | 0.343 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -53.8 | -44.5 | -179.4 | -177.1 | 179 | -166 | -177.7 | 5.7 | 113.3 | E67 L72 R73 T74 E104 | E67-R70 WeakPolarHBondContact O-CB 3.4Å; E67-R70 PolarHBondContact O-N 3.46Å; R70-L72 PolarHBondContact O-N 3.31Å; R70-R73 WeakPolarHBondContact O-CG 3.25Å; R70-R73 PolarHBondContact O-N 3.29Å; R70-T74 HydrophobicContact CG-CG2 3.87Å; R70-T74 WeakPolarHBondContact O-CG2 3.32Å; R70-T74 PolarHBondContact O-N 2.81Å; R70-T74 VanDerWaalsContact O-N 3.13Å; R70-T74 PolarHBondContact O-OG1 3.4Å; R70-E104 WeakPolarHBondContact CD-OE2 3.24Å; R70-E104 IonicContact CZ-OE2 3.19Å; R70-E104 IonicContact NE-OE2 2.71Å; R70-E104 PolarHBondContact NE-OE2 3.27Å; R70-E104 IonicContact NH2-OE2 3.21Å; R70-E104 PolarHBondContact NH2-OE2 3.34Å |
| 71 | S | 93.9 | Very high | 95 | Very high | 89 Ų | 89 | 57.4 Ų | 57.4 | 62% | 0.622 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.2 | -19.2 | 178.7 | 55 | 0 | 0 | 0 | 0 | 113.8 | F69 | F69-S71 VanDerWaalsContact C-N 3.32Å; F69-S71 PolarHBondContact O-N 3.32Å |
| 72 | L | 94 | Very high | 95.1 | Very high | 82 Ų | 82 | 56 Ų | 56 | 43% | 0.429 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -87.9 | -24.8 | 177.8 | -58.2 | 177.6 | 0 | 0 | 0 | 112.6 | I40 F69 R70 F76 | I40-L72 HydrophobicContact CG2-CD1 4.27Å; I40-L72 VanDerWaalsContact O-CD1 3.23Å; I40-L72 WeakPolarHBondContact O-CD1 3.35Å; F69-L72 HydrophobicContact CB-CD1 4.41Å; F69-L72 HydrophobicContact CD1-CD1 4.06Å; F69-L72 WeakPolarHBondContact O-CB 3.37Å; F69-L72 PolarHBondContact O-N 2.72Å; R70-L72 PolarHBondContact O-N 3.31Å; L72-F76 WeakPolarHBondContact O-CD2 3.3Å; L72-F76 VanDerWaalsContact O-CE2 3.29Å; L72-F76 WeakPolarHBondContact O-CE2 3.13Å |
| 73 | R | 94.9 | Very high | 95.1 | Very high | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -95.7 | -37.9 | -178.9 | 73 | -179.5 | 176.2 | -116.4 | 1.6 | 114.5 | V42 T63 A64 Q66 F69 R70 F76 Y77 W101 E104 | V42-R73 HydrophobicContact CG2-CB 4.04Å; T63-R73 HydrophobicContact CG2-CB 4.49Å; A64-R73 VanDerWaalsContact O-CD 3.27Å; A64-R73 WeakPolarHBondContact O-CD 3.36Å; A64-R73 PolarHBondContact O-NH1 3.38Å; Q66-R73 PolarHBondContact O-NH1 3.44Å; F69-R73 PolarHBondContact O-N 2.95Å; R70-R73 WeakPolarHBondContact O-CG 3.25Å; R70-R73 PolarHBondContact O-N 3.29Å; R73-F76 WeakPolarHBondContact O-CB 3.31Å; R73-F76 PolarHBondContact O-N 3.03Å; R73-Y77 HydrophobicContact CB-CE1 4.22Å; R73-Y77 WeakPolarHBondContact CD-OH 3.46Å; R73-Y77 HydrophobicContact CG-CE1 3.97Å; R73-Y77 WeakPolarHBondContact CG-OH 3.4Å; R73-Y77 PolarHBondContact NE-OH 3.37Å; R73-Y77 WeakPolarHBondContact O-CD1 3.5Å; R73-W101 VanDerWaalsContact NE-CZ3 3.28Å; R73-E104 IonicContact CZ-OE1 3.36Å; R73-E104 IonicContact NE-OE1 2.89Å; R73-E104 PolarHBondContact NE-OE1 3.03Å; R73-E104 IonicContact NH2-OE1 2.96Å; R73-E104 PolarHBondContact NH2-OE1 3.15Å; R73-E104 IonicContact NH2-OE2 3Å; R73-E104 PolarHBondContact NH2-OE2 3.4Å |
| 74 | T | 96.1 | Very high | 95.2 | Very high | 15 Ų | 15 | 56 Ų | 56 | 9% | 0.092 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -62.8 | -30.7 | -170.1 | 55.5 | 0 | 0 | 0 | 0 | 115 | R70 F76 Y77 E104 Y108 | R70-T74 HydrophobicContact CG-CG2 3.87Å; R70-T74 WeakPolarHBondContact O-CG2 3.32Å; R70-T74 PolarHBondContact O-N 2.81Å; R70-T74 VanDerWaalsContact O-N 3.13Å; R70-T74 PolarHBondContact O-OG1 3.4Å; T74-F76 PolarHBondContact O-N 3.04Å; T74-F76 VanDerWaalsContact O-N 3.1Å; T74-Y77 HydrophobicContact CG2-CE2 4.1Å; T74-Y77 PolarHBondContact O-N 3.25Å; T74-E104 HydrophobicContact CG2-CG 4.44Å; T74-Y108 HydrophobicContact CG2-CD1 4.15Å; T74-Y108 HydrophobicContact CG2-CD2 3.48Å; T74-Y108 VanDerWaalsContact CG2-CD2 3.48Å; T74-Y108 HydrophobicContact CG2-CE1 4.34Å; T74-Y108 HydrophobicContact CG2-CE2 3.71Å; T74-Y108 HydrophobicContact CG2-CG 3.72Å |
| 75 | P | 96.8 | Very high | 95.5 | Very high | 90 Ų | 90 | 56 Ų | 56 | 58% | 0.584 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -59.9 | -21.8 | 174.1 | -25.4 | 36.7 | 0 | 0 | 0 | 113.9 | ||
| 76 | F | 96.9 | Very high | 95.8 | Very high | 81 Ų | 81 | 55.5 Ų | 55.5 | 36% | 0.355 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -90.5 | -1.3 | -177.3 | -61.5 | -82.2 | 0 | 0 | 0 | 113.6 | K9 V42 W61 L72 R73 T74 | K9-F76 VanDerWaalsContact CE-O 3.27Å; K9-F76 WeakPolarHBondContact CE-O 3.36Å; K9-F76 PolarHBondContact NZ-O 3.41Å; V42-F76 HydrophobicContact CB-CD2 3.95Å; V42-F76 HydrophobicContact CB-CE2 4.12Å; V42-F76 HydrophobicContact CB-CG 4.28Å; V42-F76 HydrophobicContact CG1-CB 4.28Å; V42-F76 HydrophobicContact CG1-CD1 4.45Å; V42-F76 HydrophobicContact CG1-CD2 4.24Å; V42-F76 HydrophobicContact CG1-CG 4.07Å; V42-F76 HydrophobicContact CG2-CB 4.41Å; V42-F76 HydrophobicContact CG2-CD2 3.47Å; V42-F76 VanDerWaalsContact CG2-CD2 3.47Å; V42-F76 HydrophobicContact CG2-CE2 3.93Å; V42-F76 HydrophobicContact CG2-CG 4.07Å; W61-F76 HydrophobicContact CE3-CB 4.26Å; W61-F76 HydrophobicContact CE3-CD1 4.06Å; W61-F76 HydrophobicContact CE3-CG 4.42Å; W61-F76 AromaticContact CH2-CD1 3.93Å; W61-F76 HydrophobicContact CH2-CD1 3.93Å; W61-F76 HydrophobicContact CH2-CE1 4.41Å; W61-F76 HydrophobicContact CZ3-CB 4.29Å; W61-F76 AromaticContact CZ3-CD1 3.28Å; W61-F76 HydrophobicContact CZ3-CD1 3.28Å; W61-F76 AromaticContact CZ3-CE1 3.85Å; W61-F76 HydrophobicContact CZ3-CE1 3.85Å; W61-F76 HydrophobicContact CZ3-CG 4.06Å; L72-F76 WeakPolarHBondContact O-CD2 3.3Å; L72-F76 VanDerWaalsContact O-CE2 3.29Å; L72-F76 WeakPolarHBondContact O-CE2 3.13Å; R73-F76 WeakPolarHBondContact O-CB 3.31Å; R73-F76 PolarHBondContact O-N 3.03Å; T74-F76 PolarHBondContact O-N 3.04Å; T74-F76 VanDerWaalsContact O-N 3.1Å |
| 77 | Y | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -74.9 | -34.9 | -178 | -70.6 | 9.6 | 0 | 0 | 0 | 112.5 | I11 L13 R73 T74 G79 S80 E104 F105 | I11-Y77 HydrophobicContact CD1-CD1 3.45Å; I11-Y77 VanDerWaalsContact CD1-CD1 3.45Å; I11-Y77 HydrophobicContact CD1-CE1 3.88Å; I11-Y77 HydrophobicContact CD1-CG 4.36Å; L13-Y77 HydrophobicContact CD1-CE1 4.38Å; L13-Y77 HydrophobicContact CD1-CE2 4.05Å; L13-Y77 HydrophobicContact CD2-CD1 4.48Å; L13-Y77 HydrophobicContact CD2-CE1 3.53Å; L13-Y77 HydrophobicContact CD2-CE2 4.49Å; L13-Y77 VanDerWaalsContact CD2-OH 3.31Å; L13-Y77 WeakPolarHBondContact CD2-OH 3.22Å; R73-Y77 HydrophobicContact CB-CE1 4.22Å; R73-Y77 WeakPolarHBondContact CD-OH 3.46Å; R73-Y77 HydrophobicContact CG-CE1 3.97Å; R73-Y77 WeakPolarHBondContact CG-OH 3.4Å; R73-Y77 PolarHBondContact NE-OH 3.37Å; R73-Y77 WeakPolarHBondContact O-CD1 3.5Å; T74-Y77 HydrophobicContact CG2-CE2 4.1Å; T74-Y77 PolarHBondContact O-N 3.25Å; Y77-G79 PolarHBondContact O-N 3.46Å; Y77-S80 WeakPolarHBondContact O-CB 3.32Å; Y77-S80 PolarHBondContact O-N 2.94Å; Y77-S80 PolarHBondContact O-OG 3.13Å; Y77-E104 HydrophobicContact CE2-CG 4Å; Y77-E104 PolarHBondContact OH-OE1 3.37Å; Y77-F105 HydrophobicContact CD2-CB 4.49Å; Y77-F105 AromaticContact CD2-CD2 3.98Å; Y77-F105 HydrophobicContact CD2-CD2 3.98Å; Y77-F105 HydrophobicContact CG-CD2 4.15Å | ||
| 78 | R | 97.2 | Very high | 96.6 | Very high | 158 Ų | 158 | 46.3 Ų | 46.3 | 60% | 0.596 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 138.2 | -178 | -169.1 | 177.3 | 179.7 | 84.8 | -0.4 | 111.3 | K9 S80 D110 | K9-R78 PolarHBondContact NZ-O 2.82Å; R78-S80 VanDerWaalsContact C-N 3.26Å; R78-S80 PolarHBondContact O-N 3.01Å; R78-D110 IonicContact CZ-OD2 3.81Å; R78-D110 IonicContact NH1-OD2 2.79Å; R78-D110 PolarHBondContact NH1-OD2 2.87Å; R78-D110 IonicContact NH2-OD2 3.9Å |
| 79 | G | 96.1 | Very high | 96.9 | Very high | 54 Ų | 54 | 36.7 Ų | 36.7 | 56% | 0.557 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 16.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K9 Y77 | K9-G79 WeakPolarHBondContact CD-O 3.38Å; Y77-G79 PolarHBondContact O-N 3.46Å |
| 80 | S | 98.2 | Very high | 97.2 | Very high | 9 Ų | 9 | 36.7 Ų | 36.7 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | trans | -72.7 | 135.7 | 167.8 | -52.4 | 0 | 0 | 0 | 0 | 109.6 | K9 Y77 R78 F117 | K9-S80 WeakPolarHBondContact CE-OG 3.3Å; Y77-S80 WeakPolarHBondContact O-CB 3.32Å; Y77-S80 PolarHBondContact O-N 2.94Å; Y77-S80 PolarHBondContact O-OG 3.13Å; R78-S80 VanDerWaalsContact C-N 3.26Å; R78-S80 PolarHBondContact O-N 3.01Å; S80-F117 WeakPolarHBondContact O-CE2 3.22Å; S80-F117 WeakPolarHBondContact O-CZ 3.27Å | ||
| 81 | D | 98.1 | Very high | 97.5 | Very high | 57 Ų | 57 | 34.9 Ų | 34.9 | 31% | 0.305 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -89.2 | -28.5 | 178.7 | -56.7 | -56.6 | 0 | 0 | 0 | 111.2 | F8 K9 P118 V172 | F8-D81 WeakPolarHBondContact CA-OD2 3.49Å; K9-D81 PolarHBondContact N-OD2 3.41Å; K9-D81 PolarHBondContact O-N 3.45Å; D81-P118 WeakPolarHBondContact O-CD 3.39Å; D81-P118 WeakPolarHBondContact O-CG 3.4Å; D81-V172 HydrophobicContact CB-CG1 3.95Å; D81-V172 HydrophobicContact CB-CG2 3.93Å |
| 82 | C | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 150.1 | 174.7 | -178 | 0 | 0 | 0 | 0 | 111.8 | K9 V10 I11 P118 V172 | K9-C82 PolarHBondContact O-N 3.05Å; V10-C82 WeakPolarHBondContact CA-O 3.19Å; V10-C82 HydrophobicContact CG2-CB 4.34Å; I11-C82 PolarHBondContact N-O 2.95Å; C82-P118 WeakPolarHBondContact CA-O 3.45Å; C82-P118 HydrophobicContact CB-CB 4.5Å; C82-P118 HydrophobicContact CB-CG 4.1Å; C82-P118 PolarHBondContact SG-O 2.87Å; C82-V172 HydrophobicContact CB-CG2 3.65Å |
| 83 | C | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.2 | 175.6 | -178 | 0 | 0 | 0 | 0 | 111.3 | I11 F105 F117 P118 F119 V120 | I11-C83 HydrophobicContact CG2-CB 4.06Å; I11-C83 WeakPolarHBondContact O-CA 3.44Å; C83-F105 HydrophobicContact CB-CD1 4.19Å; C83-F105 HydrophobicContact CB-CD2 4.3Å; C83-F105 HydrophobicContact CB-CE1 4.01Å; C83-F105 HydrophobicContact CB-CE2 4.13Å; C83-F105 HydrophobicContact CB-CG 4.32Å; C83-F105 HydrophobicContact CB-CZ 3.98Å; C83-F117 HydrophobicContact CB-CE1 3.84Å; C83-P118 PolarHBondContact N-O 3.13Å; C83-P118 VanDerWaalsContact N-O 3.07Å; C83-F119 HydrophobicContact CB-CD1 3.62Å; C83-F119 HydrophobicContact CB-CE1 3.71Å; C83-F119 VanDerWaalsContact O-CA 3.32Å; C83-F119 WeakPolarHBondContact O-CA 3.5Å; C83-V120 PolarHBondContact O-N 3.39Å |
| 84 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 101.8 | 172.9 | -59.3 | -176 | 0 | 0 | 0 | 109 | V10 I11 L12 L13 T86 V120 L122 F165 A168 | V10-L84 HydrophobicContact CG1-CD1 3.69Å; V10-L84 HydrophobicContact CG1-CD2 4.38Å; V10-L84 HydrophobicContact CG1-CG 3.68Å; I11-L84 PolarHBondContact O-N 2.94Å; L12-L84 HydrophobicContact CD2-CB 3.71Å; L12-L84 HydrophobicContact CD2-CD1 3.69Å; L12-L84 HydrophobicContact CD2-CG 4.32Å; L12-L84 HydrophobicContact CG-CB 4.29Å; L12-L84 HydrophobicContact CG-CD1 4.19Å; L13-L84 PolarHBondContact N-O 3.26Å; L84-T86 PolarHBondContact O-N 3.01Å; L84-T86 PolarHBondContact O-OG1 3.37Å; L84-V120 CarbonylContact C-O 3.32Å; L84-V120 WeakPolarHBondContact CA-O 2.91Å; L84-V120 HydrophobicContact CD2-CB 3.61Å; L84-V120 HydrophobicContact CD2-CG1 4.18Å; L84-V120 HydrophobicContact CD2-CG2 4.22Å; L84-L122 HydrophobicContact CB-CD1 4.19Å; L84-L122 HydrophobicContact CD1-CD1 4.29Å; L84-F165 HydrophobicContact CD1-CD1 3.74Å; L84-F165 HydrophobicContact CD1-CE1 3.39Å; L84-F165 HydrophobicContact CD1-CG 4.49Å; L84-F165 HydrophobicContact CD1-CZ 3.89Å; L84-A168 HydrophobicContact CD2-CB 3.94Å |
| 85 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 115.1 | 175.8 | -66.9 | 171.7 | 0 | 0 | 0 | 109 | L13 L98 W101 K102 F119 V120 I121 L122 | L13-L85 HydrophobicContact CB-CD2 4.11Å; L85-L98 HydrophobicContact CB-CD2 3.87Å; L85-W101 HydrophobicContact CD2-CB 3.71Å; L85-K102 HydrophobicContact CD1-CB 3.93Å; L85-K102 HydrophobicContact CD1-CG 4.44Å; L85-F119 HydrophobicContact CD1-CD1 3.75Å; L85-F119 HydrophobicContact CD1-CE1 4.31Å; L85-F119 HydrophobicContact CD1-CG 4.45Å; L85-F119 HydrophobicContact CG-CD1 4.06Å; L85-V120 PolarHBondContact N-O 2.91Å; L85-I121 HydrophobicContact CB-CD1 3.76Å; L85-I121 HydrophobicContact CD1-CD1 3.76Å; L85-I121 HydrophobicContact CG-CD1 4.27Å; L85-I121 CarbonylContact O-C 3.59Å; L85-I121 WeakPolarHBondContact O-CA 3.42Å; L85-L122 PolarHBondContact O-N 2.99Å |
| 86 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 129.9 | -169.4 | -49.8 | 0 | 0 | 0 | 0 | 110.4 | L13 G14 V18 K20 L23 L84 L122 N124 | L13-T86 WeakPolarHBondContact O-CB 3.29Å; L13-T86 PolarHBondContact O-N 2.91Å; G14-T86 VanDerWaalsContact CA-O 3.28Å; G14-T86 WeakPolarHBondContact CA-O 3.23Å; V18-T86 HydrophobicContact CB-CG2 4.43Å; V18-T86 HydrophobicContact CG2-CG2 3.81Å; K20-T86 HydrophobicContact CG-CG2 4.35Å; L23-T86 HydrophobicContact CD1-CG2 3.78Å; L84-T86 PolarHBondContact O-N 3.01Å; L84-T86 PolarHBondContact O-OG1 3.37Å; T86-L122 WeakPolarHBondContact CA-O 3.4Å; T86-L122 HydrophobicContact CG2-CB 4.17Å; T86-N124 HydrophobicContact CG2-CB 4.28Å |
| 87 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 173.8 | 167.5 | 75.1 | -84 | 0 | 0 | 0 | 109.8 | V89 F95 L98 I121 L122 G123 N124 V133 A138 Y150 | F87-V89 HydrophobicContact CE2-CG1 4.2Å; F87-F95 HydrophobicContact CB-CB 4.35Å; F87-F95 HydrophobicContact CD1-CD2 4.01Å; F87-F95 HydrophobicContact CD2-CB 3.7Å; F87-F95 AromaticContact CD2-CD2 3.94Å; F87-F95 HydrophobicContact CD2-CD2 3.94Å; F87-F95 HydrophobicContact CD2-CG 4.25Å; F87-F95 AromaticContact CE1-CD2 3.86Å; F87-F95 HydrophobicContact CE1-CD2 3.86Å; F87-F95 HydrophobicContact CE1-CE2 4.33Å; F87-F95 HydrophobicContact CE2-CB 4.17Å; F87-F95 AromaticContact CE2-CD2 3.82Å; F87-F95 HydrophobicContact CE2-CD2 3.82Å; F87-F95 HydrophobicContact CE2-CG 4.31Å; F87-F95 HydrophobicContact CG-CB 4.09Å; F87-F95 HydrophobicContact CG-CD2 4.03Å; F87-F95 AromaticContact CZ-CD2 3.77Å; F87-F95 HydrophobicContact CZ-CD2 3.77Å; F87-F95 HydrophobicContact CZ-CE2 4.27Å; F87-L98 HydrophobicContact CB-CD2 4.25Å; F87-L98 HydrophobicContact CB-CG 4.44Å; F87-L98 HydrophobicContact CD1-CD1 3.82Å; F87-L98 HydrophobicContact CD1-CD2 4.27Å; F87-L98 HydrophobicContact CD1-CG 4.42Å; F87-L98 HydrophobicContact CE1-CD1 4.29Å; F87-L98 HydrophobicContact CG-CD1 4.43Å; F87-I121 HydrophobicContact CD1-CG2 4.3Å; F87-I121 HydrophobicContact CE1-CG2 4.1Å; F87-L122 WeakPolarHBondContact CD1-O 3.23Å; F87-L122 PolarHBondContact N-O 3.49Å; F87-G123 VanDerWaalsContact CE1-CA 3.46Å; F87-N124 PolarHBondContact O-N 3.26Å; F87-V133 HydrophobicContact CE2-CB 4Å; F87-V133 HydrophobicContact CE2-CG1 3.84Å; F87-V133 HydrophobicContact CE2-CG2 4.21Å; F87-V133 HydrophobicContact CZ-CG1 4.27Å; F87-A138 HydrophobicContact CE1-CB 4.4Å; F87-A138 HydrophobicContact CZ-CB 3.82Å; F87-Y150 AromaticContact CE1-CE2 3.74Å; F87-Y150 HydrophobicContact CE1-CE2 3.74Å; F87-Y150 AromaticContact CZ-CE2 3.92Å; F87-Y150 HydrophobicContact CZ-CE2 3.92Å |
| 88 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132 | 176.8 | -149 | 0 | 0 | 0 | 0 | 109.8 | D90 D91 S94 K125 | S88-D90 WeakPolarHBondContact CB-OD1 3.11Å; S88-D90 PolarHBondContact O-N 2.84Å; S88-D90 PolarHBondContact OG-OD1 3.02Å; S88-D91 CarbonylContact O-C 3.42Å; S88-D91 PolarHBondContact O-N 2.84Å; S88-S94 PolarHBondContact N-OG 3.42Å; S88-S94 PolarHBondContact O-OG 2.98Å; S88-K125 WeakPolarHBondContact OG-CD 3.3Å; S88-K125 WeakPolarHBondContact OG-CE 3.46Å; S88-K125 WeakPolarHBondContact OG-CG 3.47Å; S88-K125 PolarHBondContact OG-NZ 3.48Å; S88-K125 VanDerWaalsContact OG-NZ 3.12Å |
| 89 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.5 | -177 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | F87 N124 K125 I126 R131 Q132 V133 | F87-V89 HydrophobicContact CE2-CG1 4.2Å; V89-N124 WeakPolarHBondContact CG2-O 3.48Å; V89-N124 PolarHBondContact N-O 3.5Å; V89-K125 WeakPolarHBondContact CG2-O 3.21Å; V89-I126 HydrophobicContact CG1-CG2 4Å; V89-I126 HydrophobicContact CG2-CG2 4.4Å; V89-R131 HydrophobicContact CB-CG 4.36Å; V89-R131 VanDerWaalsContact CG1-NH2 3.33Å; V89-R131 HydrophobicContact CG2-CG 3.95Å; V89-R131 CarbonylContact O-C 3.58Å; V89-R131 WeakPolarHBondContact O-CA 3.47Å; V89-Q132 PolarHBondContact O-N 2.84Å; V89-V133 PolarHBondContact O-N 2.96Å; V89-V133 VanDerWaalsContact O-N 3.09Å |
| 90 | D | 98.6 | Very high | 98.6 | Very high | 40 Ų | 40 | 27.5 Ų | 27.5 | 21% | 0.214 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 8.2 | 173.6 | 69.1 | -36.8 | 0 | 0 | 0 | 113.3 | S88 K125 I128 Q132 | S88-D90 WeakPolarHBondContact CB-OD1 3.11Å; S88-D90 PolarHBondContact O-N 2.84Å; S88-D90 PolarHBondContact OG-OD1 3.02Å; D90-K125 IonicContact OD1-NZ 3.74Å; D90-K125 IonicContact OD2-NZ 3.64Å; D90-I128 HydrophobicContact CB-CD1 4.17Å; D90-I128 HydrophobicContact CB-CG2 4.03Å; D90-I128 WeakPolarHBondContact OD2-CD1 3.37Å; D90-Q132 PolarHBondContact O-NE2 3.11Å |
| 91 | D | 98.6 | Very high | 98.6 | Very high | 52 Ų | 52 | 27.7 Ų | 27.7 | 28% | 0.278 | 15% | 0.146 | S | C | . | . | trans | -140 | 98.2 | -179.1 | -179.1 | -12.1 | 0 | 0 | 0 | 111.2 | S88 Q93 S94 F95 | S88-D91 CarbonylContact O-C 3.42Å; S88-D91 PolarHBondContact O-N 2.84Å; D91-Q93 VanDerWaalsContact C-N 3.26Å; D91-Q93 PolarHBondContact O-N 3.43Å; D91-Q93 WeakPolarHBondContact OD1-CA 2.99Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.22Å; D91-Q93 PolarHBondContact OD1-N 3.45Å; D91-S94 PolarHBondContact O-N 3.25Å; D91-S94 PolarHBondContact O-OG 3.15Å; D91-S94 PolarHBondContact OD1-N 2.93Å; D91-F95 PolarHBondContact O-N 3.28Å | ||
| 92 | S | 98.4 | Very high | 98.7 | Very high | 43 Ų | 43 | 26.4 Ų | 26.4 | 30% | 0.301 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -64.7 | -28.2 | 179.4 | 63 | 0 | 0 | 0 | 0 | 113.7 | F95 Q96 Q132 | S92-F95 PolarHBondContact O-N 3.1Å; S92-Q96 WeakPolarHBondContact O-CG 3.32Å; S92-Q96 PolarHBondContact O-N 3.17Å; S92-Q132 PolarHBondContact OG-OE1 3.15Å |
| 93 | Q | 98.5 | Very high | 98.6 | Very high | 95 Ų | 95 | 33.2 Ų | 33.2 | 44% | 0.444 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.1 | -40.9 | 179.6 | -177.8 | 60.9 | 69.5 | 0 | 0 | 110.4 | D91 F95 Q96 N97 | D91-Q93 VanDerWaalsContact C-N 3.26Å; D91-Q93 PolarHBondContact O-N 3.43Å; D91-Q93 WeakPolarHBondContact OD1-CA 2.99Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.22Å; D91-Q93 PolarHBondContact OD1-N 3.45Å; Q93-F95 PolarHBondContact O-N 2.91Å; Q93-Q96 PolarHBondContact O-N 3.33Å; Q93-N97 PolarHBondContact NE2-ND2 3.43Å; Q93-N97 PolarHBondContact NE2-OD1 2.82Å; Q93-N97 WeakPolarHBondContact O-CB 3.28Å; Q93-N97 PolarHBondContact O-N 3.17Å; Q93-N97 PolarHBondContact O-ND2 2.82Å |
| 94 | S | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -35.3 | 175.8 | 77.2 | 0 | 0 | 0 | 0 | 112.5 | D15 S88 D91 | D15-S94 WeakPolarHBondContact OD2-CA 3.5Å; S88-S94 PolarHBondContact N-OG 3.42Å; S88-S94 PolarHBondContact O-OG 2.98Å; D91-S94 PolarHBondContact O-N 3.25Å; D91-S94 PolarHBondContact O-OG 3.15Å; D91-S94 PolarHBondContact OD1-N 2.93Å |
| 95 | F | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.044 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.2 | -47.5 | 174.8 | 175.8 | -110 | 0 | 0 | 0 | 112.4 | F87 D91 S92 Q93 N97 L98 V133 E137 A138 W141 | F87-F95 HydrophobicContact CB-CB 4.35Å; F87-F95 HydrophobicContact CD1-CD2 4.01Å; F87-F95 HydrophobicContact CD2-CB 3.7Å; F87-F95 AromaticContact CD2-CD2 3.94Å; F87-F95 HydrophobicContact CD2-CD2 3.94Å; F87-F95 HydrophobicContact CD2-CG 4.25Å; F87-F95 AromaticContact CE1-CD2 3.86Å; F87-F95 HydrophobicContact CE1-CD2 3.86Å; F87-F95 HydrophobicContact CE1-CE2 4.33Å; F87-F95 HydrophobicContact CE2-CB 4.17Å; F87-F95 AromaticContact CE2-CD2 3.82Å; F87-F95 HydrophobicContact CE2-CD2 3.82Å; F87-F95 HydrophobicContact CE2-CG 4.31Å; F87-F95 HydrophobicContact CG-CB 4.09Å; F87-F95 HydrophobicContact CG-CD2 4.03Å; F87-F95 AromaticContact CZ-CD2 3.77Å; F87-F95 HydrophobicContact CZ-CD2 3.77Å; F87-F95 HydrophobicContact CZ-CE2 4.27Å; D91-F95 PolarHBondContact O-N 3.28Å; S92-F95 PolarHBondContact O-N 3.1Å; Q93-F95 PolarHBondContact O-N 2.91Å; F95-N97 PolarHBondContact O-N 3.27Å; F95-N97 VanDerWaalsContact O-N 3.15Å; F95-L98 HydrophobicContact CD2-CD1 3.5Å; F95-L98 HydrophobicContact CD2-CG 4.46Å; F95-L98 HydrophobicContact CE2-CD1 3.75Å; F95-L98 HydrophobicContact CG-CD1 4.46Å; F95-L98 WeakPolarHBondContact O-CB 3.47Å; F95-L98 WeakPolarHBondContact O-CG 3.31Å; F95-L98 PolarHBondContact O-N 3.48Å; F95-V133 HydrophobicContact CB-CG1 4.38Å; F95-V133 HydrophobicContact CB-CG2 3.72Å; F95-V133 HydrophobicContact CD1-CG1 3.96Å; F95-V133 HydrophobicContact CD1-CG2 4.29Å; F95-V133 HydrophobicContact CD2-CG1 4.04Å; F95-V133 HydrophobicContact CE1-CG1 4.23Å; F95-V133 HydrophobicContact CE2-CG1 4.32Å; F95-V133 HydrophobicContact CG-CG1 3.86Å; F95-V133 HydrophobicContact CG-CG2 4.06Å; F95-V133 HydrophobicContact CZ-CG1 4.4Å; F95-E137 HydrophobicContact CE1-CG 3.73Å; F95-E137 HydrophobicContact CZ-CG 4.08Å; F95-A138 HydrophobicContact CE2-CB 3.98Å; F95-A138 HydrophobicContact CZ-CB 4.44Å; F95-W141 HydrophobicContact CE2-CB 4.11Å; F95-W141 HydrophobicContact CE2-CG 4.29Å; F95-W141 HydrophobicContact CZ-CB 3.64Å; F95-W141 AromaticContact CZ-CG 4Å; F95-W141 HydrophobicContact CZ-CG 4Å |
| 96 | Q | 98.6 | Very high | 98.6 | Very high | 113 Ų | 113 | 36 Ų | 36 | 53% | 0.528 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.9 | -29.5 | 176.5 | -69.6 | 170.4 | 27.1 | 0 | 0 | 112.3 | S92 Q93 L98 | S92-Q96 WeakPolarHBondContact O-CG 3.32Å; S92-Q96 PolarHBondContact O-N 3.17Å; Q93-Q96 PolarHBondContact O-N 3.33Å; Q96-L98 VanDerWaalsContact C-N 3.31Å; Q96-L98 PolarHBondContact O-N 2.92Å |
| 97 | N | 98.7 | Very high | 98.5 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -8.9 | 178.1 | -77.5 | -27 | 0 | 0 | 0 | 114.6 | D15 Q93 F95 S99 N100 W101 | D15-N97 PolarHBondContact OD2-ND2 2.85Å; Q93-N97 PolarHBondContact NE2-ND2 3.43Å; Q93-N97 PolarHBondContact NE2-OD1 2.82Å; Q93-N97 WeakPolarHBondContact O-CB 3.28Å; Q93-N97 PolarHBondContact O-N 3.17Å; Q93-N97 PolarHBondContact O-ND2 2.82Å; F95-N97 PolarHBondContact O-N 3.27Å; F95-N97 VanDerWaalsContact O-N 3.15Å; N97-S99 VanDerWaalsContact C-N 3.26Å; N97-S99 PolarHBondContact O-N 3.04Å; N97-N100 WeakPolarHBondContact O-CA 3.29Å; N97-N100 WeakPolarHBondContact O-CB 3.47Å; N97-N100 PolarHBondContact O-N 2.89Å; N97-N100 PolarHBondContact OD1-ND2 3.14Å; N97-W101 PolarHBondContact O-N 3.5Å |
| 98 | L | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.9 | -41.8 | 178.8 | -72.3 | 174.9 | 0 | 0 | 0 | 112.6 | L85 F87 F95 Q96 N100 W101 K102 I121 W141 | L85-L98 HydrophobicContact CB-CD2 3.87Å; F87-L98 HydrophobicContact CB-CD2 4.25Å; F87-L98 HydrophobicContact CB-CG 4.44Å; F87-L98 HydrophobicContact CD1-CD1 3.82Å; F87-L98 HydrophobicContact CD1-CD2 4.27Å; F87-L98 HydrophobicContact CD1-CG 4.42Å; F87-L98 HydrophobicContact CE1-CD1 4.29Å; F87-L98 HydrophobicContact CG-CD1 4.43Å; F95-L98 HydrophobicContact CD2-CD1 3.5Å; F95-L98 HydrophobicContact CD2-CG 4.46Å; F95-L98 HydrophobicContact CE2-CD1 3.75Å; F95-L98 HydrophobicContact CG-CD1 4.46Å; F95-L98 WeakPolarHBondContact O-CB 3.47Å; F95-L98 WeakPolarHBondContact O-CG 3.31Å; F95-L98 PolarHBondContact O-N 3.48Å; Q96-L98 VanDerWaalsContact C-N 3.31Å; Q96-L98 PolarHBondContact O-N 2.92Å; L98-N100 VanDerWaalsContact C-N 3.27Å; L98-N100 PolarHBondContact O-N 2.84Å; L98-W101 PolarHBondContact O-N 2.77Å; L98-K102 WeakPolarHBondContact O-CB 3.47Å; L98-K102 PolarHBondContact O-N 3.06Å; L98-I121 HydrophobicContact CD1-CG2 4.06Å; L98-W141 HydrophobicContact CB-CH2 3.8Å; L98-W141 HydrophobicContact CB-CZ2 3.61Å; L98-W141 HydrophobicContact CB-CZ3 4.41Å; L98-W141 HydrophobicContact CD1-CD2 4.31Å; L98-W141 HydrophobicContact CD1-CE3 4.14Å; L98-W141 HydrophobicContact CD1-CH2 4.39Å; L98-W141 HydrophobicContact CD1-CZ3 4.19Å |
| 99 | S | 98.3 | Very high | 98.5 | Very high | 34 Ų | 34 | 49 Ų | 49 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -34.9 | 177 | -62.8 | 0 | 0 | 0 | 0 | 112.6 | N97 K103 W141 | N97-S99 VanDerWaalsContact C-N 3.26Å; N97-S99 PolarHBondContact O-N 3.04Å; S99-K103 WeakPolarHBondContact O-CB 3.49Å; S99-K103 VanDerWaalsContact O-CG 3.25Å; S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 2.69Å; S99-K103 VanDerWaalsContact O-N 3.13Å; S99-W141 PolarHBondContact OG-NE1 3.5Å |
| 100 | N | 98.3 | Very high | 98.4 | Very high | 90 Ų | 90 | 53.4 Ų | 53.4 | 48% | 0.481 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -72.4 | -43 | 177.7 | -63.9 | -27.7 | 0 | 0 | 0 | 110.6 | N97 L98 K103 E104 | N97-N100 WeakPolarHBondContact O-CA 3.29Å; N97-N100 WeakPolarHBondContact O-CB 3.47Å; N97-N100 PolarHBondContact O-N 2.89Å; N97-N100 PolarHBondContact OD1-ND2 3.14Å; L98-N100 VanDerWaalsContact C-N 3.27Å; L98-N100 PolarHBondContact O-N 2.84Å; N100-K103 PolarHBondContact O-N 3.22Å; N100-E104 WeakPolarHBondContact O-CB 3.34Å; N100-E104 PolarHBondContact O-N 3.48Å |
| 101 | W | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 5% | 0.049 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.2 | -73.7 | 111.2 | 0 | 0 | 0 | 112.7 | L13 G14 D15 R73 L85 N97 L98 E104 F105 | L13-W101 HydrophobicContact CB-CE3 3.99Å; L13-W101 HydrophobicContact CD1-CE3 4.39Å; L13-W101 HydrophobicContact CD2-CE3 4.45Å; L13-W101 HydrophobicContact CD2-CZ3 4.35Å; G14-W101 VanDerWaalsContact C-CE2 3.41Å; G14-W101 VanDerWaalsContact O-CZ2 3.23Å; G14-W101 WeakPolarHBondContact O-CZ2 3.47Å; D15-W101 PolarHBondContact OD1-NE1 3.42Å; R73-W101 VanDerWaalsContact NE-CZ3 3.28Å; L85-W101 HydrophobicContact CD2-CB 3.71Å; N97-W101 PolarHBondContact O-N 3.5Å; L98-W101 PolarHBondContact O-N 2.77Å; W101-E104 PolarHBondContact O-N 2.99Å; W101-F105 WeakPolarHBondContact O-CB 3.49Å; W101-F105 PolarHBondContact O-N 3.29Å |
| 102 | K | 98.6 | Very high | 97.8 | Very high | 31 Ų | 31 | 59.2 Ų | 59.2 | 14% | 0.135 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.4 | -49.6 | 174.8 | -177.8 | -179.4 | 169.8 | -172.4 | 0 | 111.4 | L85 L98 E104 F105 I106 F119 N145 Y148 | L85-K102 HydrophobicContact CD1-CB 3.93Å; L85-K102 HydrophobicContact CD1-CG 4.44Å; L98-K102 WeakPolarHBondContact O-CB 3.47Å; L98-K102 PolarHBondContact O-N 3.06Å; K102-E104 PolarHBondContact O-N 2.75Å; K102-F105 PolarHBondContact O-N 2.79Å; K102-I106 HydrophobicContact CG-CD1 3.81Å; K102-I106 WeakPolarHBondContact O-CD1 3.47Å; K102-I106 VanDerWaalsContact O-CG1 3.3Å; K102-I106 WeakPolarHBondContact O-CG1 3.45Å; K102-I106 PolarHBondContact O-N 2.89Å; K102-F119 HydrophobicContact CG-CE1 4.33Å; K102-F119 HydrophobicContact CG-CZ 4.19Å; K102-N145 PolarHBondContact NZ-O 2.71Å; K102-Y148 HydrophobicContact CD-CE2 4.3Å; K102-Y148 WeakPolarHBondContact CE-OH 3.31Å; K102-Y148 PolarHBondContact NZ-OH 2.88Å |
| 103 | K | 98.3 | Very high | 97.5 | Very high | 143 Ų | 143 | 63.1 Ų | 63.1 | 62% | 0.622 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.1 | -44.4 | 177.9 | -75 | 172.9 | -176.4 | 175.9 | 0 | 112.1 | S99 N100 Y107 | S99-K103 WeakPolarHBondContact O-CB 3.49Å; S99-K103 VanDerWaalsContact O-CG 3.25Å; S99-K103 WeakPolarHBondContact O-CG 3.34Å; S99-K103 PolarHBondContact O-N 2.69Å; S99-K103 VanDerWaalsContact O-N 3.13Å; N100-K103 PolarHBondContact O-N 3.22Å; K103-Y107 WeakPolarHBondContact O-CB 3.35Å; K103-Y107 PolarHBondContact O-N 2.97Å; K103-Y107 VanDerWaalsContact O-N 3.11Å |
| 104 | E | 98.3 | Very high | 97.2 | Very high | 17 Ų | 17 | 60.4 Ų | 60.4 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -46.7 | 176.9 | -174.8 | -178.3 | 107.9 | 0 | 0 | 111.2 | R70 R73 T74 Y77 N100 W101 K102 Y107 Y108 | R70-E104 WeakPolarHBondContact CD-OE2 3.24Å; R70-E104 IonicContact CZ-OE2 3.19Å; R70-E104 IonicContact NE-OE2 2.71Å; R70-E104 PolarHBondContact NE-OE2 3.27Å; R70-E104 IonicContact NH2-OE2 3.21Å; R70-E104 PolarHBondContact NH2-OE2 3.34Å; R73-E104 IonicContact CZ-OE1 3.36Å; R73-E104 IonicContact NE-OE1 2.89Å; R73-E104 PolarHBondContact NE-OE1 3.03Å; R73-E104 IonicContact NH2-OE1 2.96Å; R73-E104 PolarHBondContact NH2-OE1 3.15Å; R73-E104 IonicContact NH2-OE2 3Å; R73-E104 PolarHBondContact NH2-OE2 3.4Å; T74-E104 HydrophobicContact CG2-CG 4.44Å; Y77-E104 HydrophobicContact CE2-CG 4Å; Y77-E104 PolarHBondContact OH-OE1 3.37Å; N100-E104 WeakPolarHBondContact O-CB 3.34Å; N100-E104 PolarHBondContact O-N 3.48Å; W101-E104 PolarHBondContact O-N 2.99Å; K102-E104 PolarHBondContact O-N 2.75Å; E104-Y107 PolarHBondContact O-N 2.91Å; E104-Y108 HydrophobicContact CG-CD2 3.64Å; E104-Y108 HydrophobicContact CG-CE2 3.88Å; E104-Y108 WeakPolarHBondContact O-CD2 3.29Å; E104-Y108 PolarHBondContact O-N 3.43Å |
| 105 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -53.5 | 178.2 | 178.3 | -98.6 | 0 | 0 | 0 | 111.4 | I11 L13 Y77 C83 W101 K102 Y107 Y108 A109 V111 F117 F119 | I11-F105 HydrophobicContact CG2-CD2 4.22Å; I11-F105 HydrophobicContact CG2-CE2 3.71Å; L13-F105 HydrophobicContact CD1-CB 3.66Å; L13-F105 HydrophobicContact CD1-CD2 3.79Å; L13-F105 HydrophobicContact CD1-CG 4.06Å; Y77-F105 HydrophobicContact CD2-CB 4.49Å; Y77-F105 AromaticContact CD2-CD2 3.98Å; Y77-F105 HydrophobicContact CD2-CD2 3.98Å; Y77-F105 HydrophobicContact CG-CD2 4.15Å; C83-F105 HydrophobicContact CB-CD1 4.19Å; C83-F105 HydrophobicContact CB-CD2 4.3Å; C83-F105 HydrophobicContact CB-CE1 4.01Å; C83-F105 HydrophobicContact CB-CE2 4.13Å; C83-F105 HydrophobicContact CB-CG 4.32Å; C83-F105 HydrophobicContact CB-CZ 3.98Å; W101-F105 WeakPolarHBondContact O-CB 3.49Å; W101-F105 PolarHBondContact O-N 3.29Å; K102-F105 PolarHBondContact O-N 2.79Å; F105-Y107 PolarHBondContact O-N 3Å; F105-Y108 PolarHBondContact O-N 3.32Å; F105-A109 HydrophobicContact CD1-CB 4.4Å; F105-A109 HydrophobicContact CD2-CB 4.14Å; F105-A109 HydrophobicContact CE1-CB 4.03Å; F105-A109 HydrophobicContact CE2-CB 3.75Å; F105-A109 HydrophobicContact CG-CB 4.46Å; F105-A109 HydrophobicContact CZ-CB 3.69Å; F105-A109 WeakPolarHBondContact O-CB 3.33Å; F105-A109 PolarHBondContact O-N 2.88Å; F105-V111 HydrophobicContact CD1-CG2 4.26Å; F105-V111 HydrophobicContact CE1-CG2 3.74Å; F105-V111 HydrophobicContact CZ-CG2 4.45Å; F105-F117 HydrophobicContact CD1-CE1 4.3Å; F105-F117 AromaticContact CE1-CD1 3.69Å; F105-F117 HydrophobicContact CE1-CD1 3.69Å; F105-F117 HydrophobicContact CE1-CD2 4.41Å; F105-F117 AromaticContact CE1-CE1 3.23Å; F105-F117 HydrophobicContact CE1-CE1 3.23Å; F105-F117 HydrophobicContact CE1-CE2 4.03Å; F105-F117 HydrophobicContact CE1-CG 4.27Å; F105-F117 AromaticContact CE1-CZ 3.44Å; F105-F117 HydrophobicContact CE1-CZ 3.44Å; F105-F117 VanDerWaalsContact CE1-CZ 3.44Å; F105-F117 HydrophobicContact CZ-CD1 4.41Å; F105-F117 AromaticContact CZ-CE1 3.54Å; F105-F117 HydrophobicContact CZ-CE1 3.54Å; F105-F117 HydrophobicContact CZ-CE2 4.05Å; F105-F117 AromaticContact CZ-CZ 3.33Å; F105-F117 HydrophobicContact CZ-CZ 3.33Å; F105-F119 AromaticContact CD1-CE1 3.52Å; F105-F119 HydrophobicContact CD1-CE1 3.52Å; F105-F119 AromaticContact CD1-CZ 3.59Å; F105-F119 HydrophobicContact CD1-CZ 3.59Å; F105-F119 HydrophobicContact CE1-CE1 4.03Å; F105-F119 AromaticContact CE1-CZ 4Å; F105-F119 HydrophobicContact CE1-CZ 4Å; F105-F119 HydrophobicContact CG-CE1 4.25Å |
| 106 | I | 98.4 | Very high | 96.4 | Very high | 40 Ų | 40 | 68.6 Ų | 68.6 | 21% | 0.205 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -53.9 | -45.1 | -179.3 | -70.5 | 163.2 | 0 | 0 | 0 | 111 | K102 D110 V111 P114 F119 | K102-I106 HydrophobicContact CG-CD1 3.81Å; K102-I106 WeakPolarHBondContact O-CD1 3.47Å; K102-I106 VanDerWaalsContact O-CG1 3.3Å; K102-I106 WeakPolarHBondContact O-CG1 3.45Å; K102-I106 PolarHBondContact O-N 2.89Å; I106-D110 PolarHBondContact O-N 3.26Å; I106-V111 HydrophobicContact CG2-CB 4.44Å; I106-V111 PolarHBondContact O-N 2.94Å; I106-P114 HydrophobicContact CD1-CB 3.89Å; I106-P114 HydrophobicContact CG1-CB 4.15Å; I106-P114 HydrophobicContact CG2-CB 4.12Å; I106-P114 HydrophobicContact CG2-CG 3.79Å; I106-F119 HydrophobicContact CD1-CZ 4.44Å; I106-F119 HydrophobicContact CG1-CZ 4.07Å |
| 107 | Y | 98.1 | Very high | 96.4 | Very high | 174 Ų | 174 | 64.5 Ų | 64.5 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.8 | -52.2 | -179.2 | -179.4 | -95.6 | 0 | 0 | 0 | 112.8 | K103 E104 F105 D110 | K103-Y107 WeakPolarHBondContact O-CB 3.35Å; K103-Y107 PolarHBondContact O-N 2.97Å; K103-Y107 VanDerWaalsContact O-N 3.11Å; E104-Y107 PolarHBondContact O-N 2.91Å; F105-Y107 PolarHBondContact O-N 3Å; Y107-D110 PolarHBondContact O-N 3.45Å |
| 108 | Y | 98.1 | Very high | 96.4 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 35% | 0.349 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -83.3 | -24.1 | -173.8 | -73.6 | -73.8 | 0 | 0 | 0 | 114 | T74 E104 F105 | T74-Y108 HydrophobicContact CG2-CD1 4.15Å; T74-Y108 HydrophobicContact CG2-CD2 3.48Å; T74-Y108 VanDerWaalsContact CG2-CD2 3.48Å; T74-Y108 HydrophobicContact CG2-CE1 4.34Å; T74-Y108 HydrophobicContact CG2-CE2 3.71Å; T74-Y108 HydrophobicContact CG2-CG 3.72Å; E104-Y108 HydrophobicContact CG-CD2 3.64Å; E104-Y108 HydrophobicContact CG-CE2 3.88Å; E104-Y108 WeakPolarHBondContact O-CD2 3.29Å; E104-Y108 PolarHBondContact O-N 3.43Å; F105-Y108 PolarHBondContact O-N 3.32Å |
| 109 | A | 97.8 | Very high | 96.4 | Very high | 11 Ų | 11 | 63.1 Ų | 63.1 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -76.8 | -13.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | F105 V111 | F105-A109 HydrophobicContact CD1-CB 4.4Å; F105-A109 HydrophobicContact CD2-CB 4.14Å; F105-A109 HydrophobicContact CE1-CB 4.03Å; F105-A109 HydrophobicContact CE2-CB 3.75Å; F105-A109 HydrophobicContact CG-CB 4.46Å; F105-A109 HydrophobicContact CZ-CB 3.69Å; F105-A109 WeakPolarHBondContact O-CB 3.33Å; F105-A109 PolarHBondContact O-N 2.88Å; A109-V111 HydrophobicContact CB-CG2 3.74Å |
| 110 | D | 96.9 | Very high | 96.4 | Very high | 92 Ų | 92 | 61.5 Ų | 61.5 | 49% | 0.492 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 48.5 | -176.1 | -173.7 | 36.3 | 0 | 0 | 0 | 111.1 | R78 I106 Y107 K112 | R78-D110 IonicContact CZ-OD2 3.81Å; R78-D110 IonicContact NH1-OD2 2.79Å; R78-D110 PolarHBondContact NH1-OD2 2.87Å; R78-D110 IonicContact NH2-OD2 3.9Å; I106-D110 PolarHBondContact O-N 3.26Å; Y107-D110 PolarHBondContact O-N 3.45Å; D110-K112 PolarHBondContact O-N 2.69Å |
| 111 | V | 95.1 | Very high | 96.4 | Very high | 24 Ų | 24 | 57.2 Ų | 57.2 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | trans | -72.7 | 112.4 | -177.6 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | F105 I106 A109 P114 F117 | F105-V111 HydrophobicContact CD1-CG2 4.26Å; F105-V111 HydrophobicContact CE1-CG2 3.74Å; F105-V111 HydrophobicContact CZ-CG2 4.45Å; I106-V111 HydrophobicContact CG2-CB 4.44Å; I106-V111 PolarHBondContact O-N 2.94Å; A109-V111 HydrophobicContact CB-CG2 3.74Å; V111-P114 HydrophobicContact CG1-CG 4.42Å; V111-F117 HydrophobicContact CG1-CB 3.7Å; V111-F117 HydrophobicContact CG1-CD2 3.77Å; V111-F117 HydrophobicContact CG1-CG 3.93Å; V111-F117 HydrophobicContact CG2-CD2 4.07Å; V111-F117 HydrophobicContact CG2-CE2 4.41Å; V111-F117 HydrophobicContact CG2-CG 4.4Å | ||
| 112 | K | 90.8 | Very high | 96.4 | Very high | 191 Ų | 191 | 56.6 Ų | 56.6 | 83% | 0.83 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -67.8 | -36.7 | -179 | -64.4 | -175.5 | -179.3 | 179.2 | 0 | 113.8 | D110 P114 | D110-K112 PolarHBondContact O-N 2.69Å; K112-P114 WeakPolarHBondContact O-CD 3.37Å |
| 113 | E | 92.3 | Very high | 96.4 | Very high | 125 Ų | 125 | 55.1 Ų | 55.1 | 58% | 0.584 | 26% | 0.261 | S | S | * | . | trans | -125.3 | 75.7 | -177.4 | -67.6 | 177 | -141.9 | 0 | 0 | 110.8 | D115 S116 F117 R178 | E113-D115 PolarHBondContact O-N 2.74Å; E113-S116 WeakPolarHBondContact CB-OG 3.35Å; E113-S116 PolarHBondContact O-N 2.97Å; E113-S116 VanDerWaalsContact O-N 3.09Å; E113-S116 PolarHBondContact O-OG 3.21Å; E113-S116 PolarHBondContact OE2-OG 3.34Å; E113-F117 PolarHBondContact O-N 2.94Å; E113-F117 VanDerWaalsContact O-N 3.16Å; E113-R178 IonicContact OE2-NH2 3.71Å | ||
| 114 | P | 91 | Very high | 96.5 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 25% | 0.247 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -33.1 | -172.7 | -25.1 | 35.1 | 0 | 0 | 0 | 114.5 | I106 V111 K112 S116 F117 | I106-P114 HydrophobicContact CD1-CB 3.89Å; I106-P114 HydrophobicContact CG1-CB 4.15Å; I106-P114 HydrophobicContact CG2-CB 4.12Å; I106-P114 HydrophobicContact CG2-CG 3.79Å; V111-P114 HydrophobicContact CG1-CG 4.42Å; K112-P114 WeakPolarHBondContact O-CD 3.37Å; P114-S116 PolarHBondContact O-N 3.19Å; P114-F117 PolarHBondContact O-N 3.29Å |
| 115 | D | 90.6 | Very high | 96.5 | Very high | 155 Ų | 155 | 50.2 Ų | 50.2 | 83% | 0.829 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -17 | -178.3 | -61.7 | -30.8 | 0 | 0 | 0 | 113 | E113 | E113-D115 PolarHBondContact O-N 2.74Š|
| 116 | S | 91.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -6.3 | 178.9 | 76.9 | 0 | 0 | 0 | 0 | 114.4 | E113 P114 R178 | E113-S116 WeakPolarHBondContact CB-OG 3.35Å; E113-S116 PolarHBondContact O-N 2.97Å; E113-S116 VanDerWaalsContact O-N 3.09Å; E113-S116 PolarHBondContact O-OG 3.21Å; E113-S116 PolarHBondContact OE2-OG 3.34Å; P114-S116 PolarHBondContact O-N 3.19Å; S116-R178 PolarHBondContact OG-NH2 3.37Å |
| 117 | F | 97.4 | Very high | 96.4 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -65.2 | 133.4 | 175.2 | -172.8 | -84.6 | 0 | 0 | 0 | 110.4 | S80 C83 F105 V111 E113 P114 F119 | S80-F117 WeakPolarHBondContact O-CE2 3.22Å; S80-F117 WeakPolarHBondContact O-CZ 3.27Å; C83-F117 HydrophobicContact CB-CE1 3.84Å; F105-F117 HydrophobicContact CD1-CE1 4.3Å; F105-F117 AromaticContact CE1-CD1 3.69Å; F105-F117 HydrophobicContact CE1-CD1 3.69Å; F105-F117 HydrophobicContact CE1-CD2 4.41Å; F105-F117 AromaticContact CE1-CE1 3.23Å; F105-F117 HydrophobicContact CE1-CE1 3.23Å; F105-F117 HydrophobicContact CE1-CE2 4.03Å; F105-F117 HydrophobicContact CE1-CG 4.27Å; F105-F117 AromaticContact CE1-CZ 3.44Å; F105-F117 HydrophobicContact CE1-CZ 3.44Å; F105-F117 VanDerWaalsContact CE1-CZ 3.44Å; F105-F117 HydrophobicContact CZ-CD1 4.41Å; F105-F117 AromaticContact CZ-CE1 3.54Å; F105-F117 HydrophobicContact CZ-CE1 3.54Å; F105-F117 HydrophobicContact CZ-CE2 4.05Å; F105-F117 AromaticContact CZ-CZ 3.33Å; F105-F117 HydrophobicContact CZ-CZ 3.33Å; V111-F117 HydrophobicContact CG1-CB 3.7Å; V111-F117 HydrophobicContact CG1-CD2 3.77Å; V111-F117 HydrophobicContact CG1-CG 3.93Å; V111-F117 HydrophobicContact CG2-CD2 4.07Å; V111-F117 HydrophobicContact CG2-CE2 4.41Å; V111-F117 HydrophobicContact CG2-CG 4.4Å; E113-F117 PolarHBondContact O-N 2.94Å; E113-F117 VanDerWaalsContact O-N 3.16Å; P114-F117 PolarHBondContact O-N 3.29Å; F117-F119 HydrophobicContact CB-CE2 3.98Å; F117-F119 HydrophobicContact CD1-CD1 4.44Å; F117-F119 AromaticContact CD1-CD2 3.91Å; F117-F119 HydrophobicContact CD1-CD2 3.91Å; F117-F119 HydrophobicContact CD1-CE1 4.12Å; F117-F119 AromaticContact CD1-CE2 3.56Å; F117-F119 HydrophobicContact CD1-CE2 3.56Å; F117-F119 HydrophobicContact CD1-CG 4.35Å; F117-F119 AromaticContact CD1-CZ 3.66Å; F117-F119 HydrophobicContact CD1-CZ 3.66Å; F117-F119 HydrophobicContact CE1-CE1 4.4Å; F117-F119 HydrophobicContact CE1-CZ 4.34Å; F117-F119 HydrophobicContact CG-CE2 4.18Å; F117-F119 HydrophobicContact CG-CZ 4.44Å; F117-F119 VanDerWaalsContact O-CD2 3.27Å; F117-F119 WeakPolarHBondContact O-CD2 3.46Å; F117-F119 PolarHBondContact O-N 3.45Å |
| 118 | P | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | trans | -76.1 | 112.7 | -176.1 | 30.6 | -34.4 | 0 | 0 | 0 | 111 | D81 C82 C83 R171 V172 | D81-P118 WeakPolarHBondContact O-CD 3.39Å; D81-P118 WeakPolarHBondContact O-CG 3.4Å; C82-P118 WeakPolarHBondContact CA-O 3.45Å; C82-P118 HydrophobicContact CB-CB 4.5Å; C82-P118 HydrophobicContact CB-CG 4.1Å; C82-P118 PolarHBondContact SG-O 2.87Å; C83-P118 PolarHBondContact N-O 3.13Å; C83-P118 VanDerWaalsContact N-O 3.07Å; P118-R171 HydrophobicContact CB-CB 3.64Å; P118-V172 HydrophobicContact CG-CG2 4.23Å | ||
| 119 | F | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 143.9 | 166 | -64.4 | -87.2 | 0 | 0 | 0 | 109.8 | C83 L85 K102 F105 I106 F117 Y148 | C83-F119 HydrophobicContact CB-CD1 3.62Å; C83-F119 HydrophobicContact CB-CE1 3.71Å; C83-F119 VanDerWaalsContact O-CA 3.32Å; C83-F119 WeakPolarHBondContact O-CA 3.5Å; L85-F119 HydrophobicContact CD1-CD1 3.75Å; L85-F119 HydrophobicContact CD1-CE1 4.31Å; L85-F119 HydrophobicContact CD1-CG 4.45Å; L85-F119 HydrophobicContact CG-CD1 4.06Å; K102-F119 HydrophobicContact CG-CE1 4.33Å; K102-F119 HydrophobicContact CG-CZ 4.19Å; F105-F119 AromaticContact CD1-CE1 3.52Å; F105-F119 HydrophobicContact CD1-CE1 3.52Å; F105-F119 AromaticContact CD1-CZ 3.59Å; F105-F119 HydrophobicContact CD1-CZ 3.59Å; F105-F119 HydrophobicContact CE1-CE1 4.03Å; F105-F119 AromaticContact CE1-CZ 4Å; F105-F119 HydrophobicContact CE1-CZ 4Å; F105-F119 HydrophobicContact CG-CE1 4.25Å; I106-F119 HydrophobicContact CD1-CZ 4.44Å; I106-F119 HydrophobicContact CG1-CZ 4.07Å; F117-F119 HydrophobicContact CB-CE2 3.98Å; F117-F119 HydrophobicContact CD1-CD1 4.44Å; F117-F119 AromaticContact CD1-CD2 3.91Å; F117-F119 HydrophobicContact CD1-CD2 3.91Å; F117-F119 HydrophobicContact CD1-CE1 4.12Å; F117-F119 AromaticContact CD1-CE2 3.56Å; F117-F119 HydrophobicContact CD1-CE2 3.56Å; F117-F119 HydrophobicContact CD1-CG 4.35Å; F117-F119 AromaticContact CD1-CZ 3.66Å; F117-F119 HydrophobicContact CD1-CZ 3.66Å; F117-F119 HydrophobicContact CE1-CE1 4.4Å; F117-F119 HydrophobicContact CE1-CZ 4.34Å; F117-F119 HydrophobicContact CG-CE2 4.18Å; F117-F119 HydrophobicContact CG-CZ 4.44Å; F117-F119 VanDerWaalsContact O-CD2 3.27Å; F117-F119 WeakPolarHBondContact O-CD2 3.46Å; F117-F119 PolarHBondContact O-N 3.45Å; F119-Y148 HydrophobicContact CB-CD1 3.83Å; F119-Y148 HydrophobicContact CB-CD2 4.38Å; F119-Y148 HydrophobicContact CB-CE1 3.91Å; F119-Y148 HydrophobicContact CB-CE2 4.42Å; F119-Y148 HydrophobicContact CB-CG 4.08Å; F119-Y148 AromaticContact CD2-CE1 3.83Å; F119-Y148 HydrophobicContact CD2-CE1 3.83Å; F119-Y148 AromaticContact CD2-CZ 3.83Å; F119-Y148 HydrophobicContact CG-CE1 4.3Å |
| 120 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.4 | 168 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | C83 L84 L85 L122 P149 F151 E167 A168 R171 | C83-V120 PolarHBondContact O-N 3.39Å; L84-V120 CarbonylContact C-O 3.32Å; L84-V120 WeakPolarHBondContact CA-O 2.91Å; L84-V120 HydrophobicContact CD2-CB 3.61Å; L84-V120 HydrophobicContact CD2-CG1 4.18Å; L84-V120 HydrophobicContact CD2-CG2 4.22Å; L85-V120 PolarHBondContact N-O 2.91Å; V120-L122 HydrophobicContact CG1-CD2 3.95Å; V120-P149 HydrophobicContact CG1-CB 4.4Å; V120-F151 HydrophobicContact CG1-CD2 3.75Å; V120-F151 HydrophobicContact CG1-CE2 3.97Å; V120-E167 HydrophobicContact CG2-CG 4.44Å; V120-A168 HydrophobicContact CG2-CB 4.41Å; V120-R171 HydrophobicContact CG2-CG 4.42Å |
| 121 | I | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.4 | -174.2 | -46.3 | -54.7 | 0 | 0 | 0 | 109.5 | L85 F87 L98 W141 C142 Y148 P149 Y150 F151 | L85-I121 HydrophobicContact CB-CD1 3.76Å; L85-I121 HydrophobicContact CD1-CD1 3.76Å; L85-I121 HydrophobicContact CG-CD1 4.27Å; L85-I121 CarbonylContact O-C 3.59Å; L85-I121 WeakPolarHBondContact O-CA 3.42Å; F87-I121 HydrophobicContact CD1-CG2 4.3Å; F87-I121 HydrophobicContact CE1-CG2 4.1Å; L98-I121 HydrophobicContact CD1-CG2 4.06Å; I121-W141 HydrophobicContact CD1-CH2 4.41Å; I121-W141 HydrophobicContact CD1-CZ3 3.74Å; I121-W141 HydrophobicContact CG1-CZ3 4.01Å; I121-C142 VanDerWaalsContact CG1-SG 3.56Å; I121-Y148 HydrophobicContact CD1-CD2 4.04Å; I121-Y148 HydrophobicContact CD1-CG 4.41Å; I121-Y148 HydrophobicContact CG1-CD2 4.26Å; I121-Y148 HydrophobicContact CG1-CG 4.41Å; I121-P149 PolarHBondContact N-O 2.93Å; I121-Y150 HydrophobicContact CB-CD2 4.1Å; I121-Y150 HydrophobicContact CG2-CD2 4.05Å; I121-Y150 WeakPolarHBondContact O-CA 3.42Å; I121-Y150 WeakPolarHBondContact O-CD2 3.47Å; I121-F151 PolarHBondContact O-N 3.25Å |
| 122 | L | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 116.8 | -178.4 | -49.9 | -175.2 | 0 | 0 | 0 | 110.2 | L12 L23 L84 L85 T86 F87 V120 F151 T153 A164 | L12-L122 HydrophobicContact CD2-CD1 4.33Å; L23-L122 HydrophobicContact CD1-CD1 3.94Å; L84-L122 HydrophobicContact CB-CD1 4.19Å; L84-L122 HydrophobicContact CD1-CD1 4.29Å; L85-L122 PolarHBondContact O-N 2.99Å; T86-L122 WeakPolarHBondContact CA-O 3.4Å; T86-L122 HydrophobicContact CG2-CB 4.17Å; F87-L122 WeakPolarHBondContact CD1-O 3.23Å; F87-L122 PolarHBondContact N-O 3.49Å; V120-L122 HydrophobicContact CG1-CD2 3.95Å; L122-F151 WeakPolarHBondContact CA-O 3.49Å; L122-F151 HydrophobicContact CD2-CB 4.05Å; L122-F151 HydrophobicContact CD2-CD2 4.48Å; L122-T153 HydrophobicContact CD2-CG2 4.38Å; L122-A164 HydrophobicContact CD2-CB 3.58Å |
| 123 | G | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 95.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | F87 I126 F151 E152 T153 | F87-G123 VanDerWaalsContact CE1-CA 3.46Å; G123-I126 WeakPolarHBondContact O-CG2 3.25Å; G123-F151 PolarHBondContact N-O 3.29Å; G123-E152 CarbonylContact O-C 3.58Å; G123-E152 WeakPolarHBondContact O-CA 3.47Å; G123-T153 PolarHBondContact O-N 2.84Å |
| 124 | N | 98.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 167.7 | -174.9 | -169.7 | 32.7 | 0 | 0 | 0 | 112.3 | V18 L23 T86 F87 V89 T153 A155 | V18-N124 PolarHBondContact O-ND2 2.83Å; L23-N124 HydrophobicContact CD1-CB 4.19Å; T86-N124 HydrophobicContact CG2-CB 4.28Å; F87-N124 PolarHBondContact O-N 3.26Å; V89-N124 WeakPolarHBondContact CG2-O 3.48Å; V89-N124 PolarHBondContact N-O 3.5Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 VanDerWaalsContact CA-O 3.25Å; N124-T153 WeakPolarHBondContact CA-O 3.43Å; N124-T153 WeakPolarHBondContact CA-OG1 3.35Å; N124-T153 PolarHBondContact OD1-O 2.89Å; N124-T153 PolarHBondContact OD1-OG1 2.87Å; N124-A155 PolarHBondContact OD1-N 2.84Å |
| 125 | K | 98.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 45 Ų | 45 | 23% | 0.226 | 24% | 0.238 | C | C | . | . | trans | 65.8 | 37.6 | -179.7 | -47.5 | -168.9 | -158.7 | 152.3 | 0 | 114.2 | G17 S88 V89 D90 D127 I128 T153 | G17-K125 VanDerWaalsContact O-CE 3.23Å; G17-K125 WeakPolarHBondContact O-CE 3.45Å; G17-K125 PolarHBondContact O-NZ 3.46Å; S88-K125 WeakPolarHBondContact OG-CD 3.3Å; S88-K125 WeakPolarHBondContact OG-CE 3.46Å; S88-K125 WeakPolarHBondContact OG-CG 3.47Å; S88-K125 PolarHBondContact OG-NZ 3.48Å; S88-K125 VanDerWaalsContact OG-NZ 3.12Å; V89-K125 WeakPolarHBondContact CG2-O 3.21Å; D90-K125 IonicContact OD1-NZ 3.74Å; D90-K125 IonicContact OD2-NZ 3.64Å; K125-D127 PolarHBondContact O-N 3.07Å; K125-D127 VanDerWaalsContact O-N 3.1Å; K125-I128 HydrophobicContact CB-CD1 3.77Å; K125-I128 HydrophobicContact CB-CG1 4.18Å; K125-I128 HydrophobicContact CD-CD1 3.74Å; K125-I128 HydrophobicContact CG-CD1 4.41Å; K125-I128 WeakPolarHBondContact O-CB 3.49Å; K125-I128 PolarHBondContact O-N 3.41Å; K125-T153 PolarHBondContact N-O 2.73Å | ||
| 126 | I | 98.4 | Very high | 97.6 | Very high | 40 Ų | 40 | 43.7 Ų | 43.7 | 21% | 0.205 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.2 | 177.5 | 71.2 | 168 | 0 | 0 | 0 | 113.6 | V89 G123 I128 E152 T153 T159 | V89-I126 HydrophobicContact CG1-CG2 4Å; V89-I126 HydrophobicContact CG2-CG2 4.4Å; G123-I126 WeakPolarHBondContact O-CG2 3.25Å; I126-I128 PolarHBondContact O-N 3.42Å; I126-E152 HydrophobicContact CD1-CB 4.17Å; I126-E152 HydrophobicContact CG2-CB 3.57Å; I126-E152 HydrophobicContact CG2-CG 4.08Å; I126-T153 WeakPolarHBondContact CG2-O 3.35Å; I126-T153 PolarHBondContact N-O 3.16Å; I126-T153 VanDerWaalsContact N-O 3.15Å; I126-T159 HydrophobicContact CD1-CG2 3.63Å |
| 127 | D | 97.8 | Very high | 97.9 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 26% | 0.262 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -10.6 | 171.3 | 64.5 | -82.2 | 0 | 0 | 0 | 113.3 | K125 S154 K156 | K125-D127 PolarHBondContact O-N 3.07Å; K125-D127 VanDerWaalsContact O-N 3.1Å; D127-S154 WeakPolarHBondContact OD1-CB 3.38Å; D127-S154 PolarHBondContact OD1-OG 3Å; D127-K156 WeakPolarHBondContact OD2-CD 3.31Å; D127-K156 IonicContact OD2-NZ 3.67Å; D127-K156 PolarHBondContact OD2-NZ 3.21Å; D127-K156 VanDerWaalsContact OD2-NZ 3.08Å |
| 128 | I | 95.8 | Very high | 97.9 | Very high | 46 Ų | 46 | 45.3 Ų | 45.3 | 24% | 0.236 | 23% | 0.232 | C | C | . | . | trans | -87.1 | 129.9 | 174.4 | -60.4 | 178 | 0 | 0 | 0 | 109.6 | D90 K125 I126 | D90-I128 HydrophobicContact CB-CD1 4.17Å; D90-I128 HydrophobicContact CB-CG2 4.03Å; D90-I128 WeakPolarHBondContact OD2-CD1 3.37Å; K125-I128 HydrophobicContact CB-CD1 3.77Å; K125-I128 HydrophobicContact CB-CG1 4.18Å; K125-I128 HydrophobicContact CD-CD1 3.74Å; K125-I128 HydrophobicContact CG-CD1 4.41Å; K125-I128 WeakPolarHBondContact O-CB 3.49Å; K125-I128 PolarHBondContact O-N 3.41Å; I126-I128 PolarHBondContact O-N 3.42Å | ||
| 129 | S | 93.8 | Very high | 98 | Very high | 108 Ų | 108 | 49 Ų | 49 | 76% | 0.755 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -78.3 | -36 | -177.6 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | R131 | S129-R131 PolarHBondContact O-N 3.36Š|
| 130 | E | 95.8 | Very high | 98 | Very high | 147 Ų | 147 | 50.3 Ų | 50.3 | 69% | 0.687 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -78.3 | 65.7 | -179.2 | -60.6 | 80.1 | -174.9 | 0 | 0 | 112.2 | ||
| 131 | R | 97.3 | Very high | 98 | Very high | 76 Ų | 76 | 51.9 Ų | 51.9 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | trans | -71.3 | 140.4 | 178.8 | -60.5 | -177 | 60.6 | 139.4 | -5.3 | 111.6 | V89 S129 V133 E152 | V89-R131 HydrophobicContact CB-CG 4.36Å; V89-R131 VanDerWaalsContact CG1-NH2 3.33Å; V89-R131 HydrophobicContact CG2-CG 3.95Å; V89-R131 CarbonylContact O-C 3.58Å; V89-R131 WeakPolarHBondContact O-CA 3.47Å; S129-R131 PolarHBondContact O-N 3.36Å; R131-V133 PolarHBondContact NE-O 3.31Å; R131-V133 PolarHBondContact NH2-O 3.03Å; R131-E152 IonicContact CZ-OE1 2.79Å; R131-E152 IonicContact CZ-OE2 2.69Å; R131-E152 VanDerWaalsContact NH1-CD 3.29Å; R131-E152 IonicContact NH1-OE1 3.76Å; R131-E152 PolarHBondContact NH1-OE1 3.12Å; R131-E152 IonicContact NH1-OE2 3.67Å; R131-E152 PolarHBondContact NH1-OE2 2.88Å; R131-E152 IonicContact NH2-OE1 3.27Å; R131-E152 PolarHBondContact NH2-OE1 2.63Å; R131-E152 IonicContact NH2-OE2 3.08Å | ||
| 132 | Q | 98.4 | Very high | 97.9 | Very high | 114 Ų | 114 | 52 Ų | 52 | 53% | 0.533 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -104.6 | -15.3 | 172 | -60.8 | -176.1 | 12.4 | 0 | 0 | 112.6 | V89 D90 S92 | V89-Q132 PolarHBondContact O-N 2.84Å; D90-Q132 PolarHBondContact O-NE2 3.11Å; S92-Q132 PolarHBondContact OG-OE1 3.15Å |
| 133 | V | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -123 | 123.7 | 178.9 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | F87 V89 F95 R131 A138 | F87-V133 HydrophobicContact CE2-CB 4Å; F87-V133 HydrophobicContact CE2-CG1 3.84Å; F87-V133 HydrophobicContact CE2-CG2 4.21Å; F87-V133 HydrophobicContact CZ-CG1 4.27Å; V89-V133 PolarHBondContact O-N 2.96Å; V89-V133 VanDerWaalsContact O-N 3.09Å; F95-V133 HydrophobicContact CB-CG1 4.38Å; F95-V133 HydrophobicContact CB-CG2 3.72Å; F95-V133 HydrophobicContact CD1-CG1 3.96Å; F95-V133 HydrophobicContact CD1-CG2 4.29Å; F95-V133 HydrophobicContact CD2-CG1 4.04Å; F95-V133 HydrophobicContact CE1-CG1 4.23Å; F95-V133 HydrophobicContact CE2-CG1 4.32Å; F95-V133 HydrophobicContact CG-CG1 3.86Å; F95-V133 HydrophobicContact CG-CG2 4.06Å; F95-V133 HydrophobicContact CZ-CG1 4.4Å; R131-V133 PolarHBondContact NE-O 3.31Å; R131-V133 PolarHBondContact NH2-O 3.03Å; V133-A138 HydrophobicContact CG1-CB 4.29Å |
| 134 | S | 98.3 | Very high | 97.9 | Very high | 53 Ų | 53 | 64.7 Ų | 64.7 | 37% | 0.371 | 33% | 0.325 | S | S | . | . | trans | -77 | 153.2 | 177 | 66.7 | 0 | 0 | 0 | 0 | 111.6 | E136 E137 A138 | S134-E136 VanDerWaalsContact C-N 3.25Å; S134-E136 PolarHBondContact O-N 2.86Å; S134-E137 PolarHBondContact O-N 3.29Å; S134-E137 WeakPolarHBondContact OG-CB 3.31Å; S134-E137 PolarHBondContact OG-N 3.34Å; S134-E137 VanDerWaalsContact OG-N 3.17Å; S134-A138 PolarHBondContact O-N 3.3Å; S134-A138 VanDerWaalsContact O-N 3.13Å | ||
| 135 | T | 98.2 | Very high | 97.8 | Very high | 40 Ų | 40 | 66.9 Ų | 66.9 | 25% | 0.245 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -41 | 175.5 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | A138 Q139 Y150 E152 | T135-A138 PolarHBondContact O-N 3.38Å; T135-Q139 HydrophobicContact CG2-CG 4.37Å; T135-Q139 WeakPolarHBondContact O-CB 3.3Å; T135-Q139 VanDerWaalsContact O-CG 3.23Å; T135-Q139 WeakPolarHBondContact O-CG 3.47Å; T135-Q139 PolarHBondContact O-N 2.8Å; T135-Y150 HydrophobicContact CG2-CE1 4.3Å; T135-E152 WeakPolarHBondContact CB-OE1 3.3Å; T135-E152 WeakPolarHBondContact CG2-OE1 3.48Å; T135-E152 PolarHBondContact OG1-OE1 3.31Å |
| 136 | E | 98.4 | Very high | 97.6 | Very high | 127 Ų | 127 | 66.4 Ų | 66.4 | 59% | 0.593 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -65.2 | -41.9 | -178.4 | -64.8 | 71.6 | -158.5 | 0 | 0 | 112 | S134 A140 | S134-E136 VanDerWaalsContact C-N 3.25Å; S134-E136 PolarHBondContact O-N 2.86Å; E136-A140 VanDerWaalsContact O-CB 3.3Å; E136-A140 WeakPolarHBondContact O-CB 3.41Å; E136-A140 PolarHBondContact O-N 3.12Å |
| 137 | E | 98.4 | Very high | 97.5 | Very high | 88 Ų | 88 | 70.3 Ų | 70.3 | 41% | 0.411 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 176 | -179.9 | -176.7 | -171.1 | 0 | 0 | 111.3 | F95 S134 Q139 A140 W141 | F95-E137 HydrophobicContact CE1-CG 3.73Å; F95-E137 HydrophobicContact CZ-CG 4.08Å; S134-E137 PolarHBondContact O-N 3.29Å; S134-E137 WeakPolarHBondContact OG-CB 3.31Å; S134-E137 PolarHBondContact OG-N 3.34Å; S134-E137 VanDerWaalsContact OG-N 3.17Å; E137-Q139 PolarHBondContact O-N 2.93Å; E137-A140 PolarHBondContact O-N 3.48Å; E137-W141 PolarHBondContact O-N 3.32Å |
| 138 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F87 F95 V133 S134 T135 W141 C142 Y150 | F87-A138 HydrophobicContact CE1-CB 4.4Å; F87-A138 HydrophobicContact CZ-CB 3.82Å; F95-A138 HydrophobicContact CE2-CB 3.98Å; F95-A138 HydrophobicContact CZ-CB 4.44Å; V133-A138 HydrophobicContact CG1-CB 4.29Å; S134-A138 PolarHBondContact O-N 3.3Å; S134-A138 VanDerWaalsContact O-N 3.13Å; T135-A138 PolarHBondContact O-N 3.38Å; A138-W141 PolarHBondContact O-N 2.94Å; A138-C142 PolarHBondContact O-N 3.18Å; A138-C142 PolarHBondContact O-SG 3.07Å; A138-Y150 HydrophobicContact CB-CD1 4.49Å; A138-Y150 HydrophobicContact CB-CE1 3.78Å; A138-Y150 HydrophobicContact CB-CE2 3.93Å; A138-Y150 VanDerWaalsContact CB-CZ 3.46Å; A138-Y150 WeakPolarHBondContact CB-OH 2.91Å |
| 139 | Q | 98.6 | Very high | 97.7 | Very high | 82 Ų | 82 | 67.8 Ų | 67.8 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 175.6 | -74 | 176.9 | -6.5 | 0 | 0 | 112.5 | T135 E137 C142 R143 Y150 | T135-Q139 HydrophobicContact CG2-CG 4.37Å; T135-Q139 WeakPolarHBondContact O-CB 3.3Å; T135-Q139 VanDerWaalsContact O-CG 3.23Å; T135-Q139 WeakPolarHBondContact O-CG 3.47Å; T135-Q139 PolarHBondContact O-N 2.8Å; E137-Q139 PolarHBondContact O-N 2.93Å; Q139-C142 PolarHBondContact O-N 2.78Å; Q139-R143 WeakPolarHBondContact O-CG 3.46Å; Q139-R143 PolarHBondContact O-N 2.84Å; Q139-Y150 HydrophobicContact CG-CD1 3.65Å; Q139-Y150 HydrophobicContact CG-CE1 4.15Å |
| 140 | A | 98.7 | Very high | 97.9 | Very high | 29 Ų | 29 | 64.4 Ų | 64.4 | 24% | 0.24 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E136 E137 C142 R143 D144 | E136-A140 VanDerWaalsContact O-CB 3.3Å; E136-A140 WeakPolarHBondContact O-CB 3.41Å; E136-A140 PolarHBondContact O-N 3.12Å; E137-A140 PolarHBondContact O-N 3.48Å; A140-C142 VanDerWaalsContact C-N 3.3Å; A140-C142 PolarHBondContact O-N 3.16Å; A140-R143 VanDerWaalsContact CA-NH2 3.34Å; A140-R143 PolarHBondContact O-N 3.34Å; A140-D144 VanDerWaalsContact O-CG 3.29Å; A140-D144 PolarHBondContact O-N 3.4Å |
| 141 | W | 98.6 | Very high | 98 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58 | -43.1 | 175.3 | -173.8 | 97 | 0 | 0 | 0 | 112 | F95 L98 S99 I121 E137 A138 R143 D144 N145 Y148 | F95-W141 HydrophobicContact CE2-CB 4.11Å; F95-W141 HydrophobicContact CE2-CG 4.29Å; F95-W141 HydrophobicContact CZ-CB 3.64Å; F95-W141 AromaticContact CZ-CG 4Å; F95-W141 HydrophobicContact CZ-CG 4Å; L98-W141 HydrophobicContact CB-CH2 3.8Å; L98-W141 HydrophobicContact CB-CZ2 3.61Å; L98-W141 HydrophobicContact CB-CZ3 4.41Å; L98-W141 HydrophobicContact CD1-CD2 4.31Å; L98-W141 HydrophobicContact CD1-CE3 4.14Å; L98-W141 HydrophobicContact CD1-CH2 4.39Å; L98-W141 HydrophobicContact CD1-CZ3 4.19Å; S99-W141 PolarHBondContact OG-NE1 3.5Å; I121-W141 HydrophobicContact CD1-CH2 4.41Å; I121-W141 HydrophobicContact CD1-CZ3 3.74Å; I121-W141 HydrophobicContact CG1-CZ3 4.01Å; E137-W141 PolarHBondContact O-N 3.32Å; A138-W141 PolarHBondContact O-N 2.94Å; W141-R143 PolarHBondContact O-N 3.09Å; W141-D144 PolarHBondContact O-N 3.2Å; W141-N145 HydrophobicContact CD2-CB 4.28Å; W141-N145 HydrophobicContact CE3-CB 4.33Å; W141-N145 HydrophobicContact CH2-CB 4.14Å; W141-N145 HydrophobicContact CZ2-CB 4.09Å; W141-N145 HydrophobicContact CZ3-CB 4.26Å; W141-N145 PolarHBondContact NE1-ND2 3.13Å; W141-N145 VanDerWaalsContact O-CB 3.28Å; W141-N145 WeakPolarHBondContact O-CB 3.34Å; W141-N145 PolarHBondContact O-N 2.87Å; W141-N145 PolarHBondContact O-ND2 3.3Å; W141-Y148 HydrophobicContact CZ3-CD2 4.3Å |
| 142 | C | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 179.3 | -64.2 | 0 | 0 | 0 | 0 | 112.5 | I121 A138 Q139 A140 D147 Y148 | I121-C142 VanDerWaalsContact CG1-SG 3.56Å; A138-C142 PolarHBondContact O-N 3.18Å; A138-C142 PolarHBondContact O-SG 3.07Å; Q139-C142 PolarHBondContact O-N 2.78Å; A140-C142 VanDerWaalsContact C-N 3.3Å; A140-C142 PolarHBondContact O-N 3.16Å; C142-D147 VanDerWaalsContact O-CA 3.31Å; C142-D147 WeakPolarHBondContact O-CA 3.25Å; C142-D147 PolarHBondContact O-N 3.38Å; C142-Y148 WeakPolarHBondContact CB-O 3.06Å; C142-Y148 PolarHBondContact O-N 2.88Å |
| 143 | R | 98.1 | Very high | 98.1 | Very high | 133 Ų | 133 | 51.9 Ų | 51.9 | 50% | 0.502 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -50 | 175.4 | -70.9 | -173.2 | -61.2 | -94.6 | 1.1 | 111.6 | Q139 A140 W141 N145 D147 | Q139-R143 WeakPolarHBondContact O-CG 3.46Å; Q139-R143 PolarHBondContact O-N 2.84Å; A140-R143 VanDerWaalsContact CA-NH2 3.34Å; A140-R143 PolarHBondContact O-N 3.34Å; W141-R143 PolarHBondContact O-N 3.09Å; R143-N145 VanDerWaalsContact C-N 3.26Å; R143-N145 PolarHBondContact O-N 3.36Å; R143-D147 PolarHBondContact O-N 3.49Å |
| 144 | D | 97.8 | Very high | 98.1 | Very high | 133 Ų | 133 | 51.8 Ų | 51.8 | 71% | 0.711 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -71.6 | -20.7 | -173.1 | -65.4 | -15.2 | 0 | 0 | 0 | 113.3 | A140 W141 | A140-D144 VanDerWaalsContact O-CG 3.29Å; A140-D144 PolarHBondContact O-N 3.4Å; W141-D144 PolarHBondContact O-N 3.2Å |
| 145 | N | 96.6 | Very high | 98.1 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 7.8 | -173.9 | -70.5 | -91.3 | 0 | 0 | 0 | 114.4 | K102 W141 R143 Y148 | K102-N145 PolarHBondContact NZ-O 2.71Å; W141-N145 HydrophobicContact CD2-CB 4.28Å; W141-N145 HydrophobicContact CE3-CB 4.33Å; W141-N145 HydrophobicContact CH2-CB 4.14Å; W141-N145 HydrophobicContact CZ2-CB 4.09Å; W141-N145 HydrophobicContact CZ3-CB 4.26Å; W141-N145 PolarHBondContact NE1-ND2 3.13Å; W141-N145 VanDerWaalsContact O-CB 3.28Å; W141-N145 WeakPolarHBondContact O-CB 3.34Å; W141-N145 PolarHBondContact O-N 2.87Å; W141-N145 PolarHBondContact O-ND2 3.3Å; R143-N145 VanDerWaalsContact C-N 3.26Å; R143-N145 PolarHBondContact O-N 3.36Å; N145-Y148 HydrophobicContact CB-CE2 4.35Å; N145-Y148 WeakPolarHBondContact O-CE2 3.32Å; N145-Y148 PolarHBondContact O-OH 3.35Å; N145-Y148 VanDerWaalsContact O-OH 3.06Å |
| 146 | G | 94.4 | Very high | 98.1 | Very high | 41 Ų | 41 | 53 Ų | 53 | 42% | 0.423 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 139.4 | 16.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y148 | G146-Y148 WeakPolarHBondContact O-CD1 3.4Å; G146-Y148 WeakPolarHBondContact O-CE1 3.5Å; G146-Y148 PolarHBondContact O-N 3.27Å |
| 147 | D | 97.1 | Very high | 98.1 | Very high | 122 Ų | 122 | 50.9 Ų | 50.9 | 65% | 0.652 | 26% | 0.258 | S | S | * | . | trans | 53.7 | 50.1 | 179.5 | -158.7 | 32.9 | 0 | 0 | 0 | 113.2 | C142 R143 | C142-D147 VanDerWaalsContact O-CA 3.31Å; C142-D147 WeakPolarHBondContact O-CA 3.25Å; C142-D147 PolarHBondContact O-N 3.38Å; R143-D147 PolarHBondContact O-N 3.49Å | ||
| 148 | Y | 98.1 | Very high | 98.1 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 6% | 0.059 | 25% | 0.254 | C | S | . | . | trans | -81.7 | 143.2 | -175 | -56.2 | -48.8 | 0 | 0 | 0 | 112.7 | K102 F119 I121 W141 C142 N145 G146 Y150 | K102-Y148 HydrophobicContact CD-CE2 4.3Å; K102-Y148 WeakPolarHBondContact CE-OH 3.31Å; K102-Y148 PolarHBondContact NZ-OH 2.88Å; F119-Y148 HydrophobicContact CB-CD1 3.83Å; F119-Y148 HydrophobicContact CB-CD2 4.38Å; F119-Y148 HydrophobicContact CB-CE1 3.91Å; F119-Y148 HydrophobicContact CB-CE2 4.42Å; F119-Y148 HydrophobicContact CB-CG 4.08Å; F119-Y148 AromaticContact CD2-CE1 3.83Å; F119-Y148 HydrophobicContact CD2-CE1 3.83Å; F119-Y148 AromaticContact CD2-CZ 3.83Å; F119-Y148 HydrophobicContact CG-CE1 4.3Å; I121-Y148 HydrophobicContact CD1-CD2 4.04Å; I121-Y148 HydrophobicContact CD1-CG 4.41Å; I121-Y148 HydrophobicContact CG1-CD2 4.26Å; I121-Y148 HydrophobicContact CG1-CG 4.41Å; W141-Y148 HydrophobicContact CZ3-CD2 4.3Å; C142-Y148 WeakPolarHBondContact CB-O 3.06Å; C142-Y148 PolarHBondContact O-N 2.88Å; N145-Y148 HydrophobicContact CB-CE2 4.35Å; N145-Y148 WeakPolarHBondContact O-CE2 3.32Å; N145-Y148 PolarHBondContact O-OH 3.35Å; N145-Y148 VanDerWaalsContact O-OH 3.06Å; G146-Y148 WeakPolarHBondContact O-CD1 3.4Å; G146-Y148 WeakPolarHBondContact O-CE1 3.5Å; G146-Y148 PolarHBondContact O-N 3.27Å; Y148-Y150 PolarHBondContact O-N 3.01Å | ||
| 149 | P | 98.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 51 Ų | 51 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | trans | -57.7 | 133.6 | 168.2 | -21.8 | 32.4 | 0 | 0 | 0 | 111 | V120 I121 F151 E167 R171 | V120-P149 HydrophobicContact CG1-CB 4.4Å; I121-P149 PolarHBondContact N-O 2.93Å; P149-F151 HydrophobicContact CB-CE2 4Å; P149-E167 HydrophobicContact CB-CG 3.92Å; P149-E167 HydrophobicContact CG-CG 4.08Å; P149-R171 HydrophobicContact CG-CG 4.37Å | ||
| 150 | Y | 98.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 50.7 Ų | 50.7 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.4 | 179.6 | 175.1 | -124.5 | 0 | 0 | 0 | 110.9 | F87 I121 T135 A138 Q139 Y148 E152 | F87-Y150 AromaticContact CE1-CE2 3.74Å; F87-Y150 HydrophobicContact CE1-CE2 3.74Å; F87-Y150 AromaticContact CZ-CE2 3.92Å; F87-Y150 HydrophobicContact CZ-CE2 3.92Å; I121-Y150 HydrophobicContact CB-CD2 4.1Å; I121-Y150 HydrophobicContact CG2-CD2 4.05Å; I121-Y150 WeakPolarHBondContact O-CA 3.42Å; I121-Y150 WeakPolarHBondContact O-CD2 3.47Å; T135-Y150 HydrophobicContact CG2-CE1 4.3Å; A138-Y150 HydrophobicContact CB-CD1 4.49Å; A138-Y150 HydrophobicContact CB-CE1 3.78Å; A138-Y150 HydrophobicContact CB-CE2 3.93Å; A138-Y150 VanDerWaalsContact CB-CZ 3.46Å; A138-Y150 WeakPolarHBondContact CB-OH 2.91Å; Q139-Y150 HydrophobicContact CG-CD1 3.65Å; Q139-Y150 HydrophobicContact CG-CE1 4.15Å; Y148-Y150 PolarHBondContact O-N 3.01Å; Y150-E152 HydrophobicContact CE1-CG 3.76Å; Y150-E152 VanDerWaalsContact OH-CG 3.3Å; Y150-E152 WeakPolarHBondContact OH-CG 3.2Å; Y150-E152 PolarHBondContact OH-OE1 2.87Å |
| 151 | F | 98.9 | Very high | 98.1 | Very high | 39 Ų | 39 | 49.5 Ų | 49.5 | 17% | 0.171 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.2 | 174.5 | -65.9 | -93.8 | 0 | 0 | 0 | 110.9 | V120 I121 L122 G123 P149 T153 N160 A163 A164 E167 | V120-F151 HydrophobicContact CG1-CD2 3.75Å; V120-F151 HydrophobicContact CG1-CE2 3.97Å; I121-F151 PolarHBondContact O-N 3.25Å; L122-F151 WeakPolarHBondContact CA-O 3.49Å; L122-F151 HydrophobicContact CD2-CB 4.05Å; L122-F151 HydrophobicContact CD2-CD2 4.48Å; G123-F151 PolarHBondContact N-O 3.29Å; P149-F151 HydrophobicContact CB-CE2 4Å; F151-T153 HydrophobicContact CB-CG2 3.89Å; F151-N160 HydrophobicContact CD1-CB 4.39Å; F151-A163 HydrophobicContact CD1-CB 4.38Å; F151-A163 HydrophobicContact CE1-CB 4Å; F151-A164 HydrophobicContact CB-CB 3.99Å; F151-A164 HydrophobicContact CD1-CB 4.3Å; F151-A164 HydrophobicContact CD2-CB 3.97Å; F151-A164 HydrophobicContact CG-CB 3.82Å; F151-E167 HydrophobicContact CE2-CB 3.71Å; F151-E167 HydrophobicContact CE2-CG 3.74Å; F151-E167 HydrophobicContact CZ-CB 3.67Å; F151-E167 HydrophobicContact CZ-CG 3.91Å |
| 152 | E | 98.8 | Very high | 98.1 | Very high | 35 Ų | 35 | 50 Ų | 50 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 116.8 | 161.7 | -76.7 | -157.9 | 175.1 | 0 | 0 | 109 | G123 I126 R131 T135 Y150 N160 | G123-E152 CarbonylContact O-C 3.58Å; G123-E152 WeakPolarHBondContact O-CA 3.47Å; I126-E152 HydrophobicContact CD1-CB 4.17Å; I126-E152 HydrophobicContact CG2-CB 3.57Å; I126-E152 HydrophobicContact CG2-CG 4.08Å; R131-E152 IonicContact CZ-OE1 2.79Å; R131-E152 IonicContact CZ-OE2 2.69Å; R131-E152 VanDerWaalsContact NH1-CD 3.29Å; R131-E152 IonicContact NH1-OE1 3.76Å; R131-E152 PolarHBondContact NH1-OE1 3.12Å; R131-E152 IonicContact NH1-OE2 3.67Å; R131-E152 PolarHBondContact NH1-OE2 2.88Å; R131-E152 IonicContact NH2-OE1 3.27Å; R131-E152 PolarHBondContact NH2-OE1 2.63Å; R131-E152 IonicContact NH2-OE2 3.08Å; T135-E152 WeakPolarHBondContact CB-OE1 3.3Å; T135-E152 WeakPolarHBondContact CG2-OE1 3.48Å; T135-E152 PolarHBondContact OG1-OE1 3.31Å; Y150-E152 HydrophobicContact CE1-CG 3.76Å; Y150-E152 VanDerWaalsContact OH-CG 3.3Å; Y150-E152 WeakPolarHBondContact OH-CG 3.2Å; Y150-E152 PolarHBondContact OH-OE1 2.87Å; E152-N160 VanDerWaalsContact O-CB 3.24Å; E152-N160 WeakPolarHBondContact O-CB 3.12Å; E152-N160 PolarHBondContact O-ND2 3.29Å |
| 153 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -122.4 | 154.9 | -172.6 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | L122 G123 N124 K125 I126 F151 T159 N160 A164 | L122-T153 HydrophobicContact CD2-CG2 4.38Å; G123-T153 PolarHBondContact O-N 2.84Å; N124-T153 CarbonylContact C-O 3.6Å; N124-T153 VanDerWaalsContact CA-O 3.25Å; N124-T153 WeakPolarHBondContact CA-O 3.43Å; N124-T153 WeakPolarHBondContact CA-OG1 3.35Å; N124-T153 PolarHBondContact OD1-O 2.89Å; N124-T153 PolarHBondContact OD1-OG1 2.87Å; K125-T153 PolarHBondContact N-O 2.73Å; I126-T153 WeakPolarHBondContact CG2-O 3.35Å; I126-T153 PolarHBondContact N-O 3.16Å; I126-T153 VanDerWaalsContact N-O 3.15Å; F151-T153 HydrophobicContact CB-CG2 3.89Å; T153-T159 VanDerWaalsContact CA-O 3.26Å; T153-T159 WeakPolarHBondContact CA-O 3.47Å; T153-N160 HydrophobicContact CG2-CB 4.1Å; T153-A164 HydrophobicContact CG2-CB 4.23Å | ||
| 154 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -134.3 | 116 | 160.9 | 170.5 | 0 | 0 | 0 | 0 | 110.1 | D127 K156 D157 A158 T159 V161 | D127-S154 WeakPolarHBondContact OD1-CB 3.38Å; D127-S154 PolarHBondContact OD1-OG 3Å; S154-K156 PolarHBondContact O-N 2.79Å; S154-K156 WeakPolarHBondContact OG-CB 3.4Å; S154-K156 PolarHBondContact OG-N 3.36Å; S154-K156 VanDerWaalsContact OG-N 3.14Å; S154-D157 WeakPolarHBondContact CB-OD1 3.38Å; S154-D157 PolarHBondContact OG-N 3.44Å; S154-D157 PolarHBondContact OG-OD1 3.43Å; S154-A158 CarbonylContact O-C 3.53Å; S154-A158 WeakPolarHBondContact O-CA 3.13Å; S154-A158 PolarHBondContact O-N 3.44Å; S154-T159 PolarHBondContact N-O 2.82Å; S154-T159 PolarHBondContact O-N 3.11Å; S154-V161 WeakPolarHBondContact O-CG2 3.47Å | ||
| 155 | A | 98.3 | Very high | 98.2 | Very high | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L23 R26 F32 N124 | L23-A155 HydrophobicContact CD2-CB 4Å; L23-A155 HydrophobicContact CG-CB 4.15Å; R26-A155 HydrophobicContact CB-CB 4.39Å; R26-A155 PolarHBondContact NE-O 3.13Å; F32-A155 HydrophobicContact CD2-CB 4.17Å; F32-A155 WeakPolarHBondContact CD2-O 3.22Å; F32-A155 HydrophobicContact CE2-CB 4.27Å; N124-A155 PolarHBondContact OD1-N 2.84Å |
| 156 | K | 97.8 | Very high | 98.2 | Very high | 115 Ų | 115 | 39.7 Ų | 39.7 | 50% | 0.5 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -51.1 | -176.2 | -174.7 | -171.2 | -177.8 | -179.2 | 0 | 111.4 | R26 F32 D127 S154 | R26-K156 PolarHBondContact NH2-O 3.09Å; F32-K156 HydrophobicContact CD1-CB 4.38Å; F32-K156 HydrophobicContact CD1-CG 4.09Å; F32-K156 HydrophobicContact CD2-CB 4.34Å; F32-K156 HydrophobicContact CE1-CB 4.1Å; F32-K156 HydrophobicContact CE1-CG 3.79Å; F32-K156 HydrophobicContact CE2-CB 4.06Å; F32-K156 HydrophobicContact CG-CB 4.49Å; F32-K156 HydrophobicContact CZ-CB 3.94Å; F32-K156 HydrophobicContact CZ-CG 4.09Å; D127-K156 WeakPolarHBondContact OD2-CD 3.31Å; D127-K156 IonicContact OD2-NZ 3.67Å; D127-K156 PolarHBondContact OD2-NZ 3.21Å; D127-K156 VanDerWaalsContact OD2-NZ 3.08Å; S154-K156 PolarHBondContact O-N 2.79Å; S154-K156 WeakPolarHBondContact OG-CB 3.4Å; S154-K156 PolarHBondContact OG-N 3.36Å; S154-K156 VanDerWaalsContact OG-N 3.14Å |
| 157 | D | 97.6 | Very high | 98.4 | Very high | 84 Ų | 84 | 39.6 Ų | 39.6 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 0.4 | -178.4 | 65.7 | 26.3 | 0 | 0 | 0 | 114.3 | S154 T159 | S154-D157 WeakPolarHBondContact CB-OD1 3.38Å; S154-D157 PolarHBondContact OG-N 3.44Å; S154-D157 PolarHBondContact OG-OD1 3.43Å; D157-T159 VanDerWaalsContact C-N 3.32Å; D157-T159 VanDerWaalsContact CG-OG1 3.3Å; D157-T159 WeakPolarHBondContact OD1-CB 3.11Å; D157-T159 PolarHBondContact OD1-N 3.39Å; D157-T159 PolarHBondContact OD1-OG1 3.48Å |
| 158 | A | 98.3 | Very high | 98.5 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 31% | 0.314 | 19% | 0.186 | S | C | . | . | trans | 74.4 | 7.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | R26 S154 N160 V161 | R26-A158 HydrophobicContact CG-CB 4.19Å; S154-A158 CarbonylContact O-C 3.53Å; S154-A158 WeakPolarHBondContact O-CA 3.13Å; S154-A158 PolarHBondContact O-N 3.44Å; A158-N160 PolarHBondContact O-N 3.19Å; A158-V161 PolarHBondContact O-N 3.46Å | ||
| 159 | T | 98.8 | Very high | 98.5 | Very high | 52 Ų | 52 | 33.1 Ų | 33.1 | 32% | 0.319 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 125 | -179.8 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | I126 T153 S154 D157 V161 | I126-T159 HydrophobicContact CD1-CG2 3.63Å; T153-T159 VanDerWaalsContact CA-O 3.26Å; T153-T159 WeakPolarHBondContact CA-O 3.47Å; S154-T159 PolarHBondContact N-O 2.82Å; S154-T159 PolarHBondContact O-N 3.11Å; D157-T159 VanDerWaalsContact C-N 3.32Å; D157-T159 VanDerWaalsContact CG-OG1 3.3Å; D157-T159 WeakPolarHBondContact OD1-CB 3.11Å; D157-T159 PolarHBondContact OD1-N 3.39Å; D157-T159 PolarHBondContact OD1-OG1 3.48Å; T159-V161 PolarHBondContact O-N 3.46Å |
| 160 | N | 98.6 | Very high | 98.4 | Very high | 75 Ų | 75 | 35.1 Ų | 35.1 | 40% | 0.401 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 8.5 | 179 | -64.4 | -32.7 | 0 | 0 | 0 | 117.1 | F151 E152 T153 A158 A163 A164 | F151-N160 HydrophobicContact CD1-CB 4.39Å; E152-N160 VanDerWaalsContact O-CB 3.24Å; E152-N160 WeakPolarHBondContact O-CB 3.12Å; E152-N160 PolarHBondContact O-ND2 3.29Å; T153-N160 HydrophobicContact CG2-CB 4.1Å; A158-N160 PolarHBondContact O-N 3.19Å; N160-A163 PolarHBondContact O-N 2.95Å; N160-A164 WeakPolarHBondContact O-CB 3.27Å; N160-A164 PolarHBondContact O-N 2.8Å |
| 161 | V | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.6 | -51.6 | -177.4 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | L23 R26 Y27 S154 A158 T159 A163 A164 F165 | L23-V161 HydrophobicContact CD2-CG1 4.33Å; L23-V161 HydrophobicContact CD2-CG2 3.81Å; R26-V161 HydrophobicContact CB-CG1 4.45Å; R26-V161 HydrophobicContact CG-CB 4.28Å; R26-V161 HydrophobicContact CG-CG1 4.02Å; R26-V161 HydrophobicContact CG-CG2 4.06Å; Y27-V161 HydrophobicContact CD2-CG1 4.42Å; Y27-V161 HydrophobicContact CG-CG1 4.48Å; S154-V161 WeakPolarHBondContact O-CG2 3.47Å; A158-V161 PolarHBondContact O-N 3.46Å; T159-V161 PolarHBondContact O-N 3.46Å; V161-A163 PolarHBondContact O-N 3.02Å; V161-A164 PolarHBondContact O-N 3.02Å; V161-F165 HydrophobicContact CG1-CD2 4.13Å; V161-F165 HydrophobicContact CG1-CE2 4.06Å; V161-F165 VanDerWaalsContact O-CD2 3.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.4Å; V161-F165 PolarHBondContact O-N 2.78Å |
| 162 | A | 98.4 | Very high | 98.3 | Very high | 44 Ų | 44 | 35.8 Ų | 35.8 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.2 | -46 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y27 A164 F165 E166 | Y27-A162 HydrophobicContact CD2-CB 4.35Å; Y27-A162 HydrophobicContact CE2-CB 4.11Å; A162-A164 VanDerWaalsContact C-N 3.27Å; A162-A164 PolarHBondContact O-N 2.88Å; A162-F165 PolarHBondContact O-N 3.47Å; A162-E166 WeakPolarHBondContact O-CG 3.49Å; A162-E166 PolarHBondContact O-N 2.8Å |
| 163 | A | 98.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 35 Ų | 35 | 28% | 0.281 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -56.7 | -40.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | F151 N160 V161 E167 | F151-A163 HydrophobicContact CD1-CB 4.38Å; F151-A163 HydrophobicContact CE1-CB 4Å; N160-A163 PolarHBondContact O-N 2.95Å; V161-A163 PolarHBondContact O-N 3.02Å; A163-E167 WeakPolarHBondContact O-CB 3.34Å; A163-E167 PolarHBondContact O-N 3.28Å |
| 164 | A | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66 | -44 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | L122 F151 T153 N160 V161 A162 E167 A168 | L122-A164 HydrophobicContact CD2-CB 3.58Å; F151-A164 HydrophobicContact CB-CB 3.99Å; F151-A164 HydrophobicContact CD1-CB 4.3Å; F151-A164 HydrophobicContact CD2-CB 3.97Å; F151-A164 HydrophobicContact CG-CB 3.82Å; T153-A164 HydrophobicContact CG2-CB 4.23Å; N160-A164 WeakPolarHBondContact O-CB 3.27Å; N160-A164 PolarHBondContact O-N 2.8Å; V161-A164 PolarHBondContact O-N 3.02Å; A162-A164 VanDerWaalsContact C-N 3.27Å; A162-A164 PolarHBondContact O-N 2.88Å; A164-E167 PolarHBondContact O-N 2.56Å; A164-A168 PolarHBondContact O-N 2.72Å; A164-A168 VanDerWaalsContact O-N 3.15Å |
| 165 | F | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.8 | -38 | 177.8 | -80.7 | -81.5 | 0 | 0 | 0 | 112.1 | L12 L23 Y27 M58 I60 L84 V161 A162 E167 A168 V169 | L12-F165 HydrophobicContact CD1-CZ 4.34Å; L12-F165 HydrophobicContact CD2-CZ 4.35Å; L23-F165 HydrophobicContact CB-CE2 4.48Å; Y27-F165 HydrophobicContact CD1-CB 3.83Å; Y27-F165 AromaticContact CD1-CD1 3.78Å; Y27-F165 HydrophobicContact CD1-CD1 3.78Å; Y27-F165 AromaticContact CD1-CD2 3.55Å; Y27-F165 HydrophobicContact CD1-CD2 3.55Å; Y27-F165 HydrophobicContact CD1-CE1 4.2Å; Y27-F165 HydrophobicContact CD1-CE2 4.01Å; Y27-F165 AromaticContact CD1-CG 3.44Å; Y27-F165 HydrophobicContact CD1-CG 3.44Å; Y27-F165 VanDerWaalsContact CD1-CG 3.44Å; Y27-F165 HydrophobicContact CD1-CZ 4.31Å; Y27-F165 HydrophobicContact CD2-CB 4.16Å; Y27-F165 AromaticContact CD2-CD2 3.87Å; Y27-F165 HydrophobicContact CD2-CD2 3.87Å; Y27-F165 HydrophobicContact CD2-CG 4.22Å; Y27-F165 HydrophobicContact CE1-CB 3.38Å; Y27-F165 AromaticContact CE1-CD1 3.87Å; Y27-F165 HydrophobicContact CE1-CD1 3.87Å; Y27-F165 HydrophobicContact CE1-CD2 4.06Å; Y27-F165 AromaticContact CE1-CG 3.51Å; Y27-F165 HydrophobicContact CE1-CG 3.51Å; Y27-F165 HydrophobicContact CE2-CB 3.78Å; Y27-F165 HydrophobicContact CE2-CD2 4.38Å; Y27-F165 HydrophobicContact CE2-CG 4.32Å; Y27-F165 HydrophobicContact CG-CB 4.17Å; Y27-F165 HydrophobicContact CG-CD1 4.49Å; Y27-F165 AromaticContact CG-CD2 3.42Å; Y27-F165 HydrophobicContact CG-CD2 3.42Å; Y27-F165 VanDerWaalsContact CG-CD2 3.42Å; Y27-F165 AromaticContact CG-CE2 3.87Å; Y27-F165 HydrophobicContact CG-CE2 3.87Å; Y27-F165 AromaticContact CG-CG 3.79Å; Y27-F165 HydrophobicContact CG-CG 3.79Å; Y27-F165 AromaticContact CZ-CG 3.96Å; M58-F165 HydrophobicContact CE-CB 4.34Å; M58-F165 WeakPolarHBondContact CE-O 3.44Å; M58-F165 HydrophobicContact SD-CB 4.46Å; M58-F165 HydrophobicContact SD-CD1 3.76Å; I60-F165 HydrophobicContact CD1-CD1 4.12Å; I60-F165 HydrophobicContact CD1-CE1 3.91Å; I60-F165 HydrophobicContact CG1-CD1 4.46Å; I60-F165 HydrophobicContact CG1-CE1 4.17Å; I60-F165 HydrophobicContact CG2-CE1 3.76Å; I60-F165 HydrophobicContact CG2-CZ 4.33Å; L84-F165 HydrophobicContact CD1-CD1 3.74Å; L84-F165 HydrophobicContact CD1-CE1 3.39Å; L84-F165 HydrophobicContact CD1-CG 4.49Å; L84-F165 HydrophobicContact CD1-CZ 3.89Å; V161-F165 HydrophobicContact CG1-CD2 4.13Å; V161-F165 HydrophobicContact CG1-CE2 4.06Å; V161-F165 VanDerWaalsContact O-CD2 3.3Å; V161-F165 WeakPolarHBondContact O-CD2 3.4Å; V161-F165 PolarHBondContact O-N 2.78Å; A162-F165 PolarHBondContact O-N 3.47Å; F165-E167 VanDerWaalsContact C-N 3.33Å; F165-A168 VanDerWaalsContact O-CB 3.31Å; F165-A168 WeakPolarHBondContact O-CB 3.47Å; F165-A168 PolarHBondContact O-N 2.97Å; F165-V169 PolarHBondContact O-N 3.05Å |
| 166 | E | 98.4 | Very high | 96.8 | Very high | 67 Ų | 67 | 42.3 Ų | 42.3 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.3 | -37.4 | 173.9 | -68.9 | 169.9 | -158 | 0 | 0 | 111.7 | L49 V51 A162 A168 V169 R170 | L49-E166 HydrophobicContact CD1-CG 4.3Å; V51-E166 HydrophobicContact CG2-CB 4.44Å; V51-E166 HydrophobicContact CG2-CG 4.31Å; A162-E166 WeakPolarHBondContact O-CG 3.49Å; A162-E166 PolarHBondContact O-N 2.8Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 3.23Å; E166-V169 WeakPolarHBondContact O-CB 3.44Å; E166-V169 PolarHBondContact O-N 3.29Å; E166-V169 VanDerWaalsContact O-N 3.1Å; E166-R170 WeakPolarHBondContact O-CG 3.23Å; E166-R170 PolarHBondContact O-N 3.25Å; E166-R170 IonicContact OE2-NH2 3.39Å; E166-R170 PolarHBondContact OE2-NH2 3.33Å |
| 167 | E | 98.6 | Very high | 96 | Very high | 39 Ų | 39 | 41 Ų | 41 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 173.2 | -177.5 | 58 | -156.3 | 0 | 0 | 111.5 | V120 P149 F151 A163 A164 F165 V169 R170 R171 | V120-E167 HydrophobicContact CG2-CG 4.44Å; P149-E167 HydrophobicContact CB-CG 3.92Å; P149-E167 HydrophobicContact CG-CG 4.08Å; F151-E167 HydrophobicContact CE2-CB 3.71Å; F151-E167 HydrophobicContact CE2-CG 3.74Å; F151-E167 HydrophobicContact CZ-CB 3.67Å; F151-E167 HydrophobicContact CZ-CG 3.91Å; A163-E167 WeakPolarHBondContact O-CB 3.34Å; A163-E167 PolarHBondContact O-N 3.28Å; A164-E167 PolarHBondContact O-N 2.56Å; F165-E167 VanDerWaalsContact C-N 3.33Å; E167-V169 PolarHBondContact O-N 3.12Å; E167-R170 PolarHBondContact O-N 2.99Å; E167-R170 VanDerWaalsContact O-N 3.11Å; E167-R170 IonicContact OE2-CZ 2.7Å; E167-R170 IonicContact OE2-NH1 3.31Å; E167-R170 PolarHBondContact OE2-NH1 3.24Å; E167-R171 HydrophobicContact CG-CG 4.26Å; E167-R171 VanDerWaalsContact O-CG 3.25Å; E167-R171 WeakPolarHBondContact O-CG 3.27Å; E167-R171 PolarHBondContact O-N 3.36Å; E167-R171 VanDerWaalsContact OE1-CD 3.26Å; E167-R171 WeakPolarHBondContact OE1-CD 3.43Å; E167-R171 WeakPolarHBondContact OE1-CG 3.47Å |
| 168 | A | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.4 | -41.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | V10 L84 V120 A164 F165 E166 R171 V172 | V10-A168 HydrophobicContact CG1-CB 4.48Å; L84-A168 HydrophobicContact CD2-CB 3.94Å; V120-A168 HydrophobicContact CG2-CB 4.41Å; A164-A168 PolarHBondContact O-N 2.72Å; A164-A168 VanDerWaalsContact O-N 3.15Å; F165-A168 VanDerWaalsContact O-CB 3.31Å; F165-A168 WeakPolarHBondContact O-CB 3.47Å; F165-A168 PolarHBondContact O-N 2.97Å; E166-A168 VanDerWaalsContact C-N 3.3Å; E166-A168 PolarHBondContact O-N 3.23Å; A168-R171 PolarHBondContact O-N 2.63Å; A168-V172 WeakPolarHBondContact O-CG2 3.42Å; A168-V172 PolarHBondContact O-N 2.96Å; A168-V172 VanDerWaalsContact O-N 3.12Å |
| 169 | V | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.5 | -48.7 | 174.5 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | F8 L49 V51 V56 M58 F165 E166 E167 R171 V172 L173 | F8-V169 HydrophobicContact CD2-CG1 4.12Å; F8-V169 HydrophobicContact CE2-CG1 3.98Å; L49-V169 HydrophobicContact CD1-CG2 4.17Å; V51-V169 HydrophobicContact CB-CB 4.34Å; V51-V169 HydrophobicContact CB-CG1 3.86Å; V51-V169 HydrophobicContact CG1-CB 4.4Å; V51-V169 HydrophobicContact CG1-CG1 4.25Å; V51-V169 HydrophobicContact CG2-CB 3.97Å; V51-V169 HydrophobicContact CG2-CG1 3.83Å; V51-V169 HydrophobicContact CG2-CG2 4.18Å; V56-V169 HydrophobicContact CG1-CG1 4.27Å; V56-V169 HydrophobicContact CG2-CG1 3.88Å; V56-V169 HydrophobicContact CG2-CG2 4.24Å; M58-V169 HydrophobicContact CE-CG2 3.09Å; F165-V169 PolarHBondContact O-N 3.05Å; E166-V169 WeakPolarHBondContact O-CB 3.44Å; E166-V169 PolarHBondContact O-N 3.29Å; E166-V169 VanDerWaalsContact O-N 3.1Å; E167-V169 PolarHBondContact O-N 3.12Å; V169-R171 PolarHBondContact O-N 3.33Å; V169-V172 PolarHBondContact O-N 3.29Å; V169-V172 VanDerWaalsContact O-N 3.13Å; V169-L173 HydrophobicContact CG1-CD1 3.81Å; V169-L173 HydrophobicContact CG1-CG 4.24Å; V169-L173 WeakPolarHBondContact O-CG 3.46Å; V169-L173 PolarHBondContact O-N 2.89Å |
| 170 | R | 97.7 | Very high | 92.7 | Very high | 71 Ų | 71 | 44.6 Ų | 44.6 | 27% | 0.268 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.2 | -40.4 | 179.4 | -64.4 | -176.9 | -150.1 | 100.6 | 10.9 | 111.6 | V51 D52 E166 E167 L173 A174 | V51-R170 HydrophobicContact CG1-CG 3.63Å; D52-R170 WeakPolarHBondContact OD2-CD 3.15Å; D52-R170 WeakPolarHBondContact OD2-CG 3.37Å; D52-R170 IonicContact OD2-NE 3.87Å; E166-R170 WeakPolarHBondContact O-CG 3.23Å; E166-R170 PolarHBondContact O-N 3.25Å; E166-R170 IonicContact OE2-NH2 3.39Å; E166-R170 PolarHBondContact OE2-NH2 3.33Å; E167-R170 PolarHBondContact O-N 2.99Å; E167-R170 VanDerWaalsContact O-N 3.11Å; E167-R170 IonicContact OE2-CZ 2.7Å; E167-R170 IonicContact OE2-NH1 3.31Å; E167-R170 PolarHBondContact OE2-NH1 3.24Å; R170-L173 PolarHBondContact O-N 2.8Å; R170-A174 WeakPolarHBondContact O-CB 3.45Å; R170-A174 PolarHBondContact O-N 3.31Å |
| 171 | R | 97.3 | Very high | 91.1 | Very high | 83 Ų | 83 | 47.1 Ų | 47.1 | 31% | 0.313 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.9 | -38.2 | 178.3 | -63.4 | -62.3 | -64.9 | 147.6 | -2.6 | 112.6 | P118 V120 P149 E167 A168 V169 T175 | P118-R171 HydrophobicContact CB-CB 3.64Å; V120-R171 HydrophobicContact CG2-CG 4.42Å; P149-R171 HydrophobicContact CG-CG 4.37Å; E167-R171 HydrophobicContact CG-CG 4.26Å; E167-R171 VanDerWaalsContact O-CG 3.25Å; E167-R171 WeakPolarHBondContact O-CG 3.27Å; E167-R171 PolarHBondContact O-N 3.36Å; E167-R171 VanDerWaalsContact OE1-CD 3.26Å; E167-R171 WeakPolarHBondContact OE1-CD 3.43Å; E167-R171 WeakPolarHBondContact OE1-CG 3.47Å; A168-R171 PolarHBondContact O-N 2.63Å; V169-R171 PolarHBondContact O-N 3.33Å; R171-T175 PolarHBondContact O-N 3.08Å; R171-T175 PolarHBondContact O-OG1 3.01Å |
| 172 | V | 96.4 | Very high | 89.3 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.9 | -49.9 | 174 | 177 | 0 | 0 | 0 | 0 | 110.6 | F8 D81 C82 P118 A168 V169 A174 T175 E176 | F8-V172 HydrophobicContact CD1-CG1 3.64Å; F8-V172 HydrophobicContact CD2-CB 4.25Å; F8-V172 HydrophobicContact CD2-CG1 4.01Å; F8-V172 HydrophobicContact CE1-CG1 3.56Å; F8-V172 HydrophobicContact CE2-CB 4.23Å; F8-V172 HydrophobicContact CE2-CG1 3.92Å; F8-V172 HydrophobicContact CG-CB 4.48Å; F8-V172 HydrophobicContact CG-CG1 3.89Å; F8-V172 HydrophobicContact CZ-CB 4.45Å; F8-V172 HydrophobicContact CZ-CG1 3.71Å; D81-V172 HydrophobicContact CB-CG1 3.95Å; D81-V172 HydrophobicContact CB-CG2 3.93Å; C82-V172 HydrophobicContact CB-CG2 3.65Å; P118-V172 HydrophobicContact CG-CG2 4.23Å; A168-V172 WeakPolarHBondContact O-CG2 3.42Å; A168-V172 PolarHBondContact O-N 2.96Å; A168-V172 VanDerWaalsContact O-N 3.12Å; V169-V172 PolarHBondContact O-N 3.29Å; V169-V172 VanDerWaalsContact O-N 3.13Å; V172-A174 VanDerWaalsContact C-N 3.33Å; V172-A174 PolarHBondContact O-N 3.02Å; V172-T175 WeakPolarHBondContact O-CA 3.39Å; V172-T175 WeakPolarHBondContact O-CB 3.4Å; V172-T175 PolarHBondContact O-N 3.27Å; V172-E176 PolarHBondContact O-N 3.21Å |
| 173 | L | 94.8 | Very high | 87.5 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.6 | -46 | 178.3 | -71.1 | 169.2 | 0 | 0 | 0 | 112 | F8 H54 V169 R170 T175 E176 D177 | F8-L173 HydrophobicContact CE2-CD2 3.89Å; F8-L173 HydrophobicContact CE2-CG 3.96Å; F8-L173 HydrophobicContact CZ-CD2 3.73Å; F8-L173 HydrophobicContact CZ-CG 4.2Å; H54-L173 HydrophobicContact CB-CD1 3.99Å; H54-L173 HydrophobicContact CB-CD2 4.31Å; V169-L173 HydrophobicContact CG1-CD1 3.81Å; V169-L173 HydrophobicContact CG1-CG 4.24Å; V169-L173 WeakPolarHBondContact O-CG 3.46Å; V169-L173 PolarHBondContact O-N 2.89Å; R170-L173 PolarHBondContact O-N 2.8Å; L173-T175 PolarHBondContact O-N 2.99Å; L173-E176 PolarHBondContact O-N 2.96Å; L173-D177 PolarHBondContact O-N 2.71Å |
| 174 | A | 93 | Very high | 85.5 | Confident | 49 Ų | 49 | 60.5 Ų | 60.5 | 41% | 0.405 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -28.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | R170 V172 R178 | R170-A174 WeakPolarHBondContact O-CB 3.45Å; R170-A174 PolarHBondContact O-N 3.31Å; V172-A174 VanDerWaalsContact C-N 3.33Å; V172-A174 PolarHBondContact O-N 3.02Å; A174-R178 PolarHBondContact O-N 3.48Å |
| 175 | T | 89.7 | Confident | 83.5 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 20% | 0.202 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -78.6 | -39 | 177.7 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | R171 V172 L173 S179 | R171-T175 PolarHBondContact O-N 3.08Å; R171-T175 PolarHBondContact O-OG1 3.01Å; V172-T175 WeakPolarHBondContact O-CA 3.39Å; V172-T175 WeakPolarHBondContact O-CB 3.4Å; V172-T175 PolarHBondContact O-N 3.27Å; L173-T175 PolarHBondContact O-N 2.99Å; T175-S179 PolarHBondContact O-N 3.4Å; T175-S179 VanDerWaalsContact O-N 3.15Å; T175-S179 PolarHBondContact O-OG 3.11Å |
| 176 | E | 87 | Confident | 81.4 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 34% | 0.341 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 173.4 | -67.2 | -164.3 | 135.9 | 0 | 0 | 111 | V172 L173 R178 S179 D180 | V172-E176 PolarHBondContact O-N 3.21Å; L173-E176 PolarHBondContact O-N 2.96Å; E176-R178 VanDerWaalsContact C-N 3.31Å; E176-R178 PolarHBondContact O-N 3.48Å; E176-S179 WeakPolarHBondContact O-CB 3.2Å; E176-S179 PolarHBondContact O-N 3.01Å; E176-D180 PolarHBondContact O-N 3.44Å |
| 177 | D | 81.3 | Confident | 79.3 | Confident | 87 Ų | 87 | 73.8 Ų | 73.8 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -56.7 | -44.9 | 178.8 | -78 | -21.1 | 0 | 0 | 0 | 111.9 | L173 S179 D180 H181 | L173-D177 PolarHBondContact O-N 2.71Å; D177-S179 VanDerWaalsContact C-N 3.3Å; D177-S179 PolarHBondContact O-N 3Å; D177-D180 PolarHBondContact O-N 3.48Å; D177-H181 PolarHBondContact O-N 3.05Å; D177-H181 PolarHBondContact O-ND1 3.49Å |
| 178 | R | 77.6 | Confident | 77.6 | Confident | 108 Ų | 108 | 77.8 Ų | 77.8 | 41% | 0.408 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 177.2 | -172.2 | -177.4 | 67.7 | 167.7 | 6.6 | 111.7 | E113 S116 A174 E176 H181 L182 | E113-R178 IonicContact OE2-NH2 3.71Å; S116-R178 PolarHBondContact OG-NH2 3.37Å; A174-R178 PolarHBondContact O-N 3.48Å; E176-R178 VanDerWaalsContact C-N 3.31Å; E176-R178 PolarHBondContact O-N 3.48Å; R178-H181 PolarHBondContact O-N 2.86Å; R178-L182 HydrophobicContact CG-CD1 4.47Å; R178-L182 WeakPolarHBondContact O-CG 3.4Å; R178-L182 PolarHBondContact O-N 2.72Å; R178-L182 VanDerWaalsContact O-N 3.16Å |
| 179 | S | 74.9 | Confident | 75.8 | Confident | 50 Ų | 50 | 83.6 Ų | 83.6 | 35% | 0.35 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.9 | -42.4 | -179.4 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | T175 E176 D177 H181 L182 I183 | T175-S179 PolarHBondContact O-N 3.4Å; T175-S179 VanDerWaalsContact O-N 3.15Å; T175-S179 PolarHBondContact O-OG 3.11Å; E176-S179 WeakPolarHBondContact O-CB 3.2Å; E176-S179 PolarHBondContact O-N 3.01Å; D177-S179 VanDerWaalsContact C-N 3.3Å; D177-S179 PolarHBondContact O-N 3Å; S179-H181 VanDerWaalsContact C-N 3.34Å; S179-H181 PolarHBondContact O-N 3.22Å; S179-L182 PolarHBondContact O-N 2.69Å; S179-I183 VanDerWaalsContact O-CG1 3.31Å; S179-I183 WeakPolarHBondContact O-CG1 3.39Å; S179-I183 PolarHBondContact O-N 3.35Å; S179-I183 VanDerWaalsContact O-N 3.11Å |
| 180 | D | 71.2 | Confident | 74.1 | Confident | 92 Ų | 92 | 91.3 Ų | 91.3 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 176.4 | -81.8 | -4.8 | 0 | 0 | 0 | 112.1 | E176 D177 I183 Q184 | E176-D180 PolarHBondContact O-N 3.44Å; D177-D180 PolarHBondContact O-N 3.48Å; D180-I183 PolarHBondContact O-N 3.37Å; D180-Q184 WeakPolarHBondContact O-CG 3.29Å; D180-Q184 PolarHBondContact O-N 3.31Å |
| 181 | H | 65.4 | Low | 72.3 | Confident | 128 Ų | 128 | 96.2 Ų | 96.2 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.5 | -39 | 175.8 | -77.5 | 67.8 | 0 | 0 | 0 | 112.4 | D177 R178 S179 Q184 T185 | D177-H181 PolarHBondContact O-N 3.05Å; D177-H181 PolarHBondContact O-ND1 3.49Å; R178-H181 PolarHBondContact O-N 2.86Å; S179-H181 VanDerWaalsContact C-N 3.34Å; S179-H181 PolarHBondContact O-N 3.22Å; H181-Q184 PolarHBondContact O-N 3.45Å; H181-T185 PolarHBondContact O-N 3.17Å |
| 182 | L | 62.3 | Low | 70.2 | Confident | 100 Ų | 100 | 102.8 Ų | 102.8 | 52% | 0.524 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 177.2 | -69.8 | 169 | 0 | 0 | 0 | 111.9 | R178 S179 Q184 T185 D186 | R178-L182 HydrophobicContact CG-CD1 4.47Å; R178-L182 WeakPolarHBondContact O-CG 3.4Å; R178-L182 PolarHBondContact O-N 2.72Å; R178-L182 VanDerWaalsContact O-N 3.16Å; S179-L182 PolarHBondContact O-N 2.69Å; L182-Q184 VanDerWaalsContact C-N 3.3Å; L182-Q184 PolarHBondContact O-N 3.32Å; L182-T185 PolarHBondContact O-N 3.35Å; L182-T185 PolarHBondContact O-OG1 3.18Å; L182-D186 PolarHBondContact O-N 3.03Å |
| 183 | I | 60.8 | Low | 68 | Low | 119 Ų | 119 | 111.5 Ų | 111.5 | 61% | 0.61 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.3 | -37 | 178.5 | -65.7 | 164 | 0 | 0 | 0 | 111.3 | S179 D180 T185 D186 | S179-I183 VanDerWaalsContact O-CG1 3.31Å; S179-I183 WeakPolarHBondContact O-CG1 3.39Å; S179-I183 PolarHBondContact O-N 3.35Å; S179-I183 VanDerWaalsContact O-N 3.11Å; D180-I183 PolarHBondContact O-N 3.37Å; I183-T185 VanDerWaalsContact C-N 3.31Å; I183-T185 PolarHBondContact O-N 3.18Å; I183-D186 PolarHBondContact O-N 3.23Å |
| 184 | Q | 55.8 | Low | 65.9 | Low | 144 Ų | 144 | 116.5 Ų | 116.5 | 67% | 0.673 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.2 | -31.9 | 178 | -74.1 | -176.4 | 10.8 | 0 | 0 | 113 | D180 H181 L182 T187 | D180-Q184 WeakPolarHBondContact O-CG 3.29Å; D180-Q184 PolarHBondContact O-N 3.31Å; H181-Q184 PolarHBondContact O-N 3.45Å; L182-Q184 VanDerWaalsContact C-N 3.3Å; L182-Q184 PolarHBondContact O-N 3.32Å; Q184-T187 PolarHBondContact O-OG1 3.13Å |
| 185 | T | 55.8 | Low | 64.1 | Low | 108 Ų | 108 | 123.6 Ų | 123.6 | 66% | 0.663 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -77.3 | -21.2 | -179.2 | 49.9 | 0 | 0 | 0 | 0 | 114.7 | H181 L182 I183 T187 | H181-T185 PolarHBondContact O-N 3.17Å; L182-T185 PolarHBondContact O-N 3.35Å; L182-T185 PolarHBondContact O-OG1 3.18Å; I183-T185 VanDerWaalsContact C-N 3.31Å; I183-T185 PolarHBondContact O-N 3.18Å; T185-T187 PolarHBondContact O-N 2.96Å |
| 186 | D | 54.9 | Low | 62.1 | Low | 134 Ų | 134 | 128.1 Ų | 128.1 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 18.6 | -174.8 | -84.9 | -24.7 | 0 | 0 | 0 | 114.7 | L182 I183 V188 | L182-D186 PolarHBondContact O-N 3.03Å; I183-D186 PolarHBondContact O-N 3.23Å; D186-V188 PolarHBondContact O-N 2.97Å |
| 187 | T | 55.1 | Low | 60.4 | Low | 107 Ų | 107 | 130.3 Ų | 130.3 | 66% | 0.656 | 68% | 0.675 | S | S | * | * | trans | -75.1 | 98 | 175.1 | 46.6 | 0 | 0 | 0 | 0 | 111.5 | Q184 T185 N189 | Q184-T187 PolarHBondContact O-OG1 3.13Å; T185-T187 PolarHBondContact O-N 2.96Å; T187-N189 PolarHBondContact O-N 3.29Å | ||
| 188 | V | 62.6 | Low | 59.1 | Low | 123 Ų | 123 | 131.7 Ų | 131.7 | 75% | 0.745 | 69% | 0.692 | S | S | * | * | trans | -62 | 108.9 | 168.7 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | D186 L190 | D186-V188 PolarHBondContact O-N 2.97Å; V188-L190 PolarHBondContact O-N 3.01Å | ||
| 189 | N | 61 | Low | 58.1 | Low | 122 Ų | 122 | 132 Ų | 132 | 65% | 0.652 | 71% | 0.711 | S | S | * | * | trans | -70.2 | 93.1 | 175.7 | -116.9 | -56.1 | 0 | 0 | 0 | 110.5 | T187 H191 R192 | T187-N189 PolarHBondContact O-N 3.29Å; N189-H191 PolarHBondContact O-N 3.38Å; N189-R192 PolarHBondContact O-N 2.98Å; N189-R192 VanDerWaalsContact O-N 3.17Å | ||
| 190 | L | 61.9 | Low | 56.9 | Low | 162 Ų | 162 | 135.5 Ų | 135.5 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -4.8 | 179.4 | -73.7 | 163.7 | 0 | 0 | 0 | 114.6 | V188 | V188-L190 PolarHBondContact O-N 3.01Š|
| 191 | H | 60 | Low | 55.9 | Low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | 5.2 | 177 | -73.8 | 80.1 | 0 | 0 | 0 | 114.1 | N189 K193 | N189-H191 PolarHBondContact O-N 3.38Å; H191-K193 PolarHBondContact O-N 3.17Å |
| 192 | R | 52.1 | Low | 55.5 | Low | 221 Ų | 221 | 141.3 Ų | 141.3 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -74.7 | 95.3 | 177.9 | -154.4 | 177.6 | -168.7 | -175.8 | 4 | 109.9 | N189 | N189-R192 PolarHBondContact O-N 2.98Å; N189-R192 VanDerWaalsContact O-N 3.17Å | ||
| 193 | K | 51.8 | Low | 55.1 | Low | 189 Ų | 189 | 143.4 Ų | 143.4 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 130.4 | 171.8 | -74.5 | -176.6 | 176.8 | 179.4 | 0 | 109.7 | H191 K195 | H191-K193 PolarHBondContact O-N 3.17Å; K193-K195 PolarHBondContact O-N 3Å |
| 194 | P | 50.2 | Low | 54.8 | Low | 123 Ų | 123 | 144.8 Ų | 144.8 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 130.4 | 175.3 | 24 | -30.4 | 0 | 0 | 0 | 109.6 | ||
| 195 | K | 54.3 | Low | 54.7 | Low | 199 Ų | 199 | 144.8 Ų | 144.8 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 134.2 | 170.6 | -76.7 | -175.9 | 175.8 | -178.2 | 0 | 108.4 | K193 S197 | K193-K195 PolarHBondContact O-N 3Å; K195-S197 PolarHBondContact O-N 3.1Å |
| 196 | P | 48.2 | Very low | 54.7 | Low | 127 Ų | 127 | 147.1 Ų | 147.1 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -67 | 127.4 | 176.2 | 27.4 | -30.8 | 0 | 0 | 0 | 109.1 | S198 | P196-S198 PolarHBondContact O-N 2.98Š|
| 197 | S | 50.9 | Low | 54.7 | Low | 120 Ų | 120 | 148 Ų | 148 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 118.5 | 169.7 | 43.4 | 0 | 0 | 0 | 0 | 109.1 | K195 S199 | K195-S197 PolarHBondContact O-N 3.1Å; S197-S199 PolarHBondContact O-N 2.79Å |
| 198 | S | 54.1 | Low | 54.6 | Low | 115 Ų | 115 | 150.9 Ų | 150.9 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 117.9 | 169.4 | 51.2 | 0 | 0 | 0 | 0 | 109.5 | P196 | P196-S198 PolarHBondContact O-N 2.98Š|
| 199 | S | 57.2 | Low | 54 | Low | 116 Ų | 116 | 153.1 Ų | 153.1 | 81% | 0.811 | 85% | 0.852 | S | S | * | * | trans | -45.2 | 138.3 | 161 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | S197 | S197-S199 PolarHBondContact O-N 2.79Š| ||
| 200 | C | 49.9 | Very low | 53.4 | Low | 123 Ų | 123 | 155.7 Ų | 155.7 | 83% | 0.831 | 87% | 0.869 | S | S | * | * | trans | -126.7 | 141.8 | 163.6 | -155.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 201 | C | 50.7 | Low | 52.7 | Low | 199 Ų | 199 | 155.1 Ų | 155.1 | 100% | 1.345 | 87% | 0.871 | S | S | * | * | trans | -56.3 | 0 | -163.9 | -55.7 | 0 | 0 | 0 | 0 | 116.9 |
Retrieved 201 of 201 residues in 57.8 ms
(Link to these results)