| 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 | 41.7 | Very low | 79.5 | Confident | 249 Ų | 249 | 72.3 Ų | 72.3 | 100% | 1.227 | 39% | 0.394 | S | S | * | . | 0 | 105.9 | 0 | -79.6 | 170.5 | 164.4 | 0 | 0 | 106.2 | |||||
| 2 | T | 51.4 | Low | 81.1 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | trans | -63.6 | 139.7 | 171.9 | 29.1 | 0 | 0 | 0 | 0 | 108.7 | R4 | T2-R4 PolarHBondContact O-N 3.18Å; T2-R4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | A | 59.1 | Low | 82.5 | Confident | 91 Ų | 91 | 61.2 Ų | 61.2 | 75% | 0.752 | 33% | 0.333 | S | S | * | . | trans | -79.2 | 99.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | K5 | A3-K5 PolarHBondContact O-N 3.48Š| ||
| 4 | R | 69.8 | Low | 83.6 | Confident | 109 Ų | 109 | 56.8 Ų | 56.8 | 41% | 0.411 | 31% | 0.309 | S | S | . | . | trans | -56.3 | 134.5 | 175 | -79.6 | -175.3 | 176.2 | 178.1 | -8.6 | 110.2 | T2 S6 D52 N54 | T2-R4 PolarHBondContact O-N 3.18Å; T2-R4 VanDerWaalsContact O-N 3.17Å; R4-S6 PolarHBondContact O-N 3.25Å; R4-D52 IonicContact NH1-OD2 3.13Å; R4-N54 PolarHBondContact NH1-ND2 2.87Å | ||
| 5 | K | 77.2 | Confident | 84.6 | Confident | 71 Ų | 71 | 54.9 Ų | 54.9 | 31% | 0.309 | 30% | 0.299 | S | S | . | . | trans | -59.9 | 120.9 | 177.9 | -162.7 | 171.6 | -174.1 | 174.2 | 0 | 111.1 | A3 L7 L8 D81 D176 | A3-K5 PolarHBondContact O-N 3.48Å; K5-L7 VanDerWaalsContact CE-O 3.22Å; K5-L7 WeakPolarHBondContact CE-O 3.38Å; K5-L7 WeakPolarHBondContact CG-O 3.46Å; K5-L8 HydrophobicContact CB-CD2 4.34Å; K5-L8 HydrophobicContact CD-CD2 3.98Å; K5-L8 HydrophobicContact CG-CD2 4.24Å; K5-D81 IonicContact NZ-OD1 3.77Å; K5-D81 PolarHBondContact NZ-OD1 3.23Å; K5-D81 IonicContact NZ-OD2 2.72Å; K5-D81 PolarHBondContact NZ-OD2 2.85Å; K5-D81 VanDerWaalsContact NZ-OD2 3.16Å; K5-D176 WeakPolarHBondContact CB-OD2 3.38Å | ||
| 6 | S | 87.7 | Confident | 85.4 | Confident | 80 Ų | 80 | 53.4 Ų | 53.4 | 56% | 0.559 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -90.3 | -10.5 | -178.7 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | R4 T57 | R4-S6 PolarHBondContact O-N 3.25Å; S6-T57 PolarHBondContact O-N 3.48Å |
| 7 | L | 95.3 | Very high | 86 | Confident | 85 Ų | 85 | 53 Ų | 53 | 45% | 0.445 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 116.4 | 178.5 | -179.4 | 70.4 | 0 | 0 | 0 | 109.6 | K5 T57 Q59 | K5-L7 VanDerWaalsContact CE-O 3.22Å; K5-L7 WeakPolarHBondContact CE-O 3.38Å; K5-L7 WeakPolarHBondContact CG-O 3.46Å; L7-T57 CarbonylContact C-O 3.57Å; L7-T57 VanDerWaalsContact CA-O 3.3Å; L7-T57 WeakPolarHBondContact CA-O 3.16Å; L7-T57 HydrophobicContact CD1-CG2 3.96Å; L7-Q59 HydrophobicContact CD1-CB 4.29Å |
| 8 | L | 97.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.5 | 177.1 | -62.8 | 179.4 | 0 | 0 | 0 | 110.6 | K5 V56 T57 L58 Q59 D81 V169 A172 L173 | K5-L8 HydrophobicContact CB-CD2 4.34Å; K5-L8 HydrophobicContact CD-CD2 3.98Å; K5-L8 HydrophobicContact CG-CD2 4.24Å; L8-V56 HydrophobicContact CB-CG1 4.45Å; L8-V56 HydrophobicContact CD1-CG1 3.57Å; L8-V56 HydrophobicContact CG-CG1 3.72Å; L8-T57 PolarHBondContact N-O 3.12Å; L8-L58 CarbonylContact O-C 3.54Å; L8-L58 WeakPolarHBondContact O-CA 3.35Å; L8-Q59 PolarHBondContact O-N 3.08Å; L8-D81 WeakPolarHBondContact CA-OD2 3.48Å; L8-D81 HydrophobicContact CD2-CB 4.3Å; L8-V169 HydrophobicContact CD1-CB 4.35Å; L8-V169 HydrophobicContact CD1-CG1 3.85Å; L8-V169 HydrophobicContact CD1-CG2 4.33Å; L8-A172 HydrophobicContact CD1-CB 4.04Å; L8-A172 HydrophobicContact CD2-CB 4.18Å; L8-L173 HydrophobicContact CD1-CD2 4.11Å; L8-L173 HydrophobicContact CD1-CG 4.05Å; L8-L173 HydrophobicContact CD2-CD2 4.26Å |
| 9 | K | 98.1 | Very high | 87.3 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 111 | 173.4 | 177.5 | 166.7 | 171.8 | -173.5 | 0 | 110.2 | F76 R78 S80 D81 C82 | K9-F76 VanDerWaalsContact CE-O 3.25Å; K9-F76 WeakPolarHBondContact CE-O 3.4Å; K9-F76 PolarHBondContact NZ-O 3.13Å; K9-R78 PolarHBondContact NZ-O 2.98Å; K9-S80 WeakPolarHBondContact CE-OG 3.24Å; K9-D81 PolarHBondContact N-OD2 3.43Å; K9-D81 PolarHBondContact O-N 3.12Å; K9-C82 PolarHBondContact O-N 2.89Å |
| 10 | V | 98.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.7 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | L58 Q59 I60 W61 C82 L84 F165 | V10-L58 HydrophobicContact CG2-CD2 4.25Å; V10-Q59 PolarHBondContact N-O 3.17Å; V10-I60 CarbonylContact O-C 3.4Å; V10-I60 WeakPolarHBondContact O-CA 3.42Å; V10-W61 PolarHBondContact O-N 2.77Å; V10-C82 WeakPolarHBondContact CA-O 3.37Å; V10-C82 HydrophobicContact CG2-CB 4.41Å; V10-L84 HydrophobicContact CG1-CD1 3.78Å; V10-L84 HydrophobicContact CG1-CD2 4.38Å; V10-L84 HydrophobicContact CG1-CG 3.73Å; V10-F165 HydrophobicContact CG1-CE1 4.28Å |
| 11 | I | 98.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.9 | -179.2 | -167.7 | 165.9 | 0 | 0 | 0 | 111.4 | L13 W61 T63 Y77 C82 C83 L84 F105 | I11-L13 HydrophobicContact CD1-CD2 4.23Å; I11-L13 HydrophobicContact CG1-CD2 4.16Å; I11-W61 HydrophobicContact CB-CB 4.26Å; I11-W61 HydrophobicContact CG1-CB 3.99Å; I11-T63 HydrophobicContact CD1-CG2 3.85Å; I11-T63 HydrophobicContact CG1-CG2 3.78Å; I11-Y77 HydrophobicContact CD1-CD1 3.41Å; I11-Y77 VanDerWaalsContact CD1-CD1 3.41Å; I11-Y77 HydrophobicContact CD1-CE1 3.86Å; I11-Y77 HydrophobicContact CD1-CG 4.33Å; I11-C82 PolarHBondContact N-O 3.01Å; I11-C83 HydrophobicContact CG2-CB 4.04Å; I11-L84 PolarHBondContact O-N 3.25Å; I11-F105 HydrophobicContact CG2-CD2 4.28Å; I11-F105 HydrophobicContact CG2-CE2 3.76Å |
| 12 | L | 98.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 125.7 | 173.2 | -63.6 | 99.4 | 0 | 0 | 0 | 110.3 | K20 I23 M24 I60 W61 T63 L84 | L12-K20 HydrophobicContact CB-CB 4.08Å; L12-K20 HydrophobicContact CB-CD 4.12Å; L12-K20 HydrophobicContact CB-CG 4.22Å; L12-K20 HydrophobicContact CD2-CB 4.26Å; L12-I23 HydrophobicContact CD2-CB 4.32Å; L12-I23 HydrophobicContact CD2-CG2 4.06Å; L12-M24 HydrophobicContact CD1-CB 4.42Å; L12-I60 HydrophobicContact CD1-CG2 3.37Å; L12-W61 PolarHBondContact N-O 3.49Å; L12-T63 PolarHBondContact O-OG1 2.92Å; L12-L84 HydrophobicContact CD2-CD1 4.28Å; L12-L84 HydrophobicContact CG-CB 4.22Å; L12-L84 HydrophobicContact CG-CD1 4.12Å |
| 13 | L | 98.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 154.8 | 175.8 | -61.1 | -173.3 | 0 | 0 | 0 | 111.2 | I11 T63 Y77 L84 L85 T86 W101 F105 | I11-L13 HydrophobicContact CD1-CD2 4.23Å; I11-L13 HydrophobicContact CG1-CD2 4.16Å; L13-T63 HydrophobicContact CD2-CG2 4.06Å; L13-T63 WeakPolarHBondContact CD2-OG1 3.43Å; L13-Y77 HydrophobicContact CD1-CE1 4.42Å; L13-Y77 HydrophobicContact CD1-CE2 4.15Å; L13-Y77 HydrophobicContact CD2-CD1 4.42Å; L13-Y77 HydrophobicContact CD2-CE1 3.51Å; L13-Y77 WeakPolarHBondContact CD2-OH 3.3Å; L13-L84 PolarHBondContact N-O 3.01Å; L13-L85 HydrophobicContact CB-CD2 4.31Å; L13-T86 WeakPolarHBondContact O-CB 3.42Å; L13-T86 PolarHBondContact O-N 3.2Å; L13-W101 HydrophobicContact CB-CD2 4.48Å; L13-W101 HydrophobicContact CB-CE3 3.98Å; L13-W101 HydrophobicContact CD1-CE3 4.46Å; L13-W101 HydrophobicContact CD2-CZ3 4.46Å; L13-F105 HydrophobicContact CD1-CB 3.62Å; L13-F105 HydrophobicContact CD1-CD2 3.76Å; L13-F105 HydrophobicContact CD1-CG 4.02Å |
| 14 | G | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | 145.2 | 167.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112 | K20 G65 T86 W101 | G14-K20 PolarHBondContact O-NZ 3.48Å; G14-G65 WeakPolarHBondContact O-CA 3.07Å; G14-T86 VanDerWaalsContact CA-O 3.26Å; G14-T86 WeakPolarHBondContact CA-O 3.48Å; G14-W101 VanDerWaalsContact C-CE2 3.4Å; G14-W101 VanDerWaalsContact C-CZ2 3.41Å; G14-W101 VanDerWaalsContact O-CZ2 3.23Å; G14-W101 WeakPolarHBondContact O-CZ2 3.26Å | ||
| 15 | D | 98.6 | Very high | 96.5 | Very high | 28 Ų | 28 | 22.3 Ų | 22.3 | 15% | 0.15 | 14% | 0.144 | C | C | . | . | trans | -60.4 | 164 | -175.2 | -78 | 12.4 | 0 | 0 | 0 | 113.3 | G17 V18 K20 N97 W101 | D15-G17 PolarHBondContact O-N 2.9Å; D15-V18 HydrophobicContact CB-CG1 3.83Å; D15-V18 VanDerWaalsContact O-CG2 3.3Å; D15-V18 WeakPolarHBondContact O-CG2 3.22Å; D15-K20 PolarHBondContact O-NZ 2.92Å; D15-N97 PolarHBondContact OD2-ND2 2.85Å; D15-W101 PolarHBondContact OD1-NE1 3.27Å | ||
| 16 | G | 97 | Very high | 97.5 | Very high | 31 Ų | 31 | 20.7 Ų | 20.7 | 32% | 0.32 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 135 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V18 G65 | G16-V18 VanDerWaalsContact C-N 3.34Å; G16-V18 PolarHBondContact O-N 3.19Å; G16-G65 PolarHBondContact N-O 3.33Å |
| 17 | G | 96.3 | Very high | 98 | Very high | 47 Ų | 47 | 17.7 Ų | 17.7 | 49% | 0.485 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -1.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | D15 G19 K125 | D15-G17 PolarHBondContact O-N 2.9Å; G17-G19 PolarHBondContact O-N 3.03Å; G17-K125 WeakPolarHBondContact O-CE 3.35Å; G17-K125 PolarHBondContact O-NZ 3.36Å; G17-K125 VanDerWaalsContact O-NZ 3.11Å |
| 18 | V | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -69.8 | -15.3 | 174.9 | -54.5 | 0 | 0 | 0 | 0 | 113.4 | D15 G16 K20 T86 N124 | D15-V18 HydrophobicContact CB-CG1 3.83Å; D15-V18 VanDerWaalsContact O-CG2 3.3Å; D15-V18 WeakPolarHBondContact O-CG2 3.22Å; G16-V18 VanDerWaalsContact C-N 3.34Å; G16-V18 PolarHBondContact O-N 3.19Å; V18-K20 HydrophobicContact CG2-CD 4.42Å; V18-K20 HydrophobicContact CG2-CG 3.75Å; V18-T86 HydrophobicContact CB-CG2 4.47Å; V18-T86 HydrophobicContact CG2-CG2 3.82Å; V18-N124 PolarHBondContact O-ND2 2.78Å |
| 19 | G | 98 | Very high | 98 | Very high | 12 Ų | 12 | 18.4 Ų | 18.4 | 12% | 0.124 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 102.8 | 19.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | G17 S21 S22 I23 | G17-G19 PolarHBondContact O-N 3.03Å; G19-S21 PolarHBondContact O-N 2.84Å; G19-S22 CarbonylContact O-C 3.6Å; G19-S22 WeakPolarHBondContact O-CA 3.38Å; G19-S22 WeakPolarHBondContact O-CB 3.49Å; G19-S22 PolarHBondContact O-N 2.79Å; G19-I23 WeakPolarHBondContact O-CG1 3.34Å; G19-I23 PolarHBondContact O-N 3.4Å |
| 20 | K | 98.5 | Very high | 97.9 | Very high | 9 Ų | 9 | 22.5 Ų | 22.5 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -49.9 | -52.8 | 177.2 | -59.9 | -175.6 | -60.6 | -71.1 | 0 | 113.5 | L12 G14 D15 V18 S22 I23 M24 D62 T63 T86 | L12-K20 HydrophobicContact CB-CB 4.08Å; L12-K20 HydrophobicContact CB-CD 4.12Å; L12-K20 HydrophobicContact CB-CG 4.22Å; L12-K20 HydrophobicContact CD2-CB 4.26Å; G14-K20 PolarHBondContact O-NZ 3.48Å; D15-K20 PolarHBondContact O-NZ 2.92Å; V18-K20 HydrophobicContact CG2-CD 4.42Å; V18-K20 HydrophobicContact CG2-CG 3.75Å; K20-S22 VanDerWaalsContact C-N 3.3Å; K20-S22 PolarHBondContact O-N 3.23Å; K20-I23 PolarHBondContact O-N 3.17Å; K20-M24 PolarHBondContact O-N 2.99Å; K20-D62 WeakPolarHBondContact CB-OD1 3.46Å; K20-T63 WeakPolarHBondContact CE-O 3.34Å; K20-T86 HydrophobicContact CG-CG2 4.28Å |
| 21 | S | 98.1 | Very high | 97.7 | Very high | 20 Ų | 20 | 29.5 Ų | 29.5 | 14% | 0.14 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.3 | -35.4 | 0 | 0 | 0 | 0 | 111.9 | G19 M24 N25 T39 D62 | G19-S21 PolarHBondContact O-N 2.84Å; S21-M24 PolarHBondContact O-N 2.99Å; S21-N25 VanDerWaalsContact O-CB 3.3Å; S21-N25 WeakPolarHBondContact O-CB 3.14Å; S21-N25 VanDerWaalsContact O-CG 3.25Å; S21-N25 PolarHBondContact O-N 2.97Å; S21-N25 PolarHBondContact O-ND2 2.92Å; S21-T39 PolarHBondContact OG-OG1 2.82Å; S21-T39 VanDerWaalsContact OG-OG1 3.13Å; S21-D62 VanDerWaalsContact CB-OD2 3.26Å; S21-D62 WeakPolarHBondContact CB-OD2 3.29Å; S21-D62 PolarHBondContact N-OD1 2.87Å; S21-D62 VanDerWaalsContact OG-CG 3.31Å; S21-D62 PolarHBondContact OG-OD1 2.86Å; S21-D62 PolarHBondContact OG-OD2 2.84Å |
| 22 | S | 98.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -40.9 | 176.6 | -50.4 | 0 | 0 | 0 | 0 | 112 | G19 K20 R26 L36 | G19-S22 CarbonylContact O-C 3.6Å; G19-S22 WeakPolarHBondContact O-CA 3.38Å; G19-S22 WeakPolarHBondContact O-CB 3.49Å; G19-S22 PolarHBondContact O-N 2.79Å; K20-S22 VanDerWaalsContact C-N 3.3Å; K20-S22 PolarHBondContact O-N 3.23Å; S22-R26 WeakPolarHBondContact O-CB 3.47Å; S22-R26 PolarHBondContact O-N 2.91Å; S22-L36 WeakPolarHBondContact OG-CD1 3.47Å |
| 23 | I | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -48.7 | 175.7 | -70.1 | 170.7 | 0 | 0 | 0 | 110.3 | L12 G19 K20 N25 R26 Y27 T86 L122 N124 A155 V161 F165 | L12-I23 HydrophobicContact CD2-CB 4.32Å; L12-I23 HydrophobicContact CD2-CG2 4.06Å; G19-I23 WeakPolarHBondContact O-CG1 3.34Å; G19-I23 PolarHBondContact O-N 3.4Å; K20-I23 PolarHBondContact O-N 3.17Å; I23-N25 PolarHBondContact O-N 2.86Å; I23-R26 PolarHBondContact O-N 2.73Å; I23-Y27 WeakPolarHBondContact O-CB 3.49Å; I23-Y27 PolarHBondContact O-N 3.41Å; I23-T86 HydrophobicContact CD1-CG2 3.78Å; I23-L122 HydrophobicContact CD1-CD1 4.08Å; I23-L122 HydrophobicContact CG2-CD1 4.4Å; I23-N124 HydrophobicContact CD1-CB 3.9Å; I23-A155 HydrophobicContact CG1-CB 4Å; I23-V161 HydrophobicContact CG2-CG1 4.31Å; I23-F165 HydrophobicContact CG2-CE2 3.66Å; I23-F165 HydrophobicContact CG2-CZ 4.14Å |
| 24 | M | 98.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.6 | -50.7 | 176.4 | 179.4 | -176.8 | 67.9 | 0 | 0 | 111 | L12 K20 S21 R26 Y27 V28 L45 I60 D62 | L12-M24 HydrophobicContact CD1-CB 4.42Å; K20-M24 PolarHBondContact O-N 2.99Å; S21-M24 PolarHBondContact O-N 2.99Å; M24-R26 PolarHBondContact O-N 2.95Å; M24-Y27 PolarHBondContact O-N 2.86Å; M24-V28 HydrophobicContact CG-CG2 4.47Å; M24-V28 WeakPolarHBondContact O-CG2 3.25Å; M24-V28 PolarHBondContact O-N 2.94Å; M24-L45 HydrophobicContact CE-CD1 4.02Å; M24-L45 HydrophobicContact CE-CG 4.08Å; M24-L45 HydrophobicContact CG-CB 4.44Å; M24-L45 HydrophobicContact CG-CD1 4.13Å; M24-L45 HydrophobicContact CG-CG 4.48Å; M24-L45 HydrophobicContact SD-CB 4.2Å; M24-L45 HydrophobicContact SD-CD1 4.26Å; M24-L45 HydrophobicContact SD-CG 4.07Å; M24-I60 HydrophobicContact CB-CG2 4.32Å; M24-I60 HydrophobicContact CG-CB 4.32Å; M24-I60 HydrophobicContact CG-CG2 3.78Å; M24-I60 HydrophobicContact SD-CG2 4.15Å; M24-D62 HydrophobicContact CE-CB 3.6Å; M24-D62 HydrophobicContact SD-CB 3.71Å |
| 25 | N | 97.4 | Very high | 96.1 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 21% | 0.214 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.5 | -40.8 | 180 | -75.4 | -28.3 | 0 | 0 | 0 | 112.2 | S21 I23 T29 N30 K31 | S21-N25 VanDerWaalsContact O-CB 3.3Å; S21-N25 WeakPolarHBondContact O-CB 3.14Å; S21-N25 VanDerWaalsContact O-CG 3.25Å; S21-N25 PolarHBondContact O-N 2.97Å; S21-N25 PolarHBondContact O-ND2 2.92Å; I23-N25 PolarHBondContact O-N 2.86Å; N25-T29 WeakPolarHBondContact O-CA 3.5Å; N25-T29 WeakPolarHBondContact O-CB 3.3Å; N25-T29 PolarHBondContact O-N 2.8Å; N25-T29 PolarHBondContact O-OG1 2.86Å; N25-N30 PolarHBondContact O-N 3.26Å; N25-K31 CarbonylContact C-O 3.55Å |
| 26 | R | 98.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 49.9 Ų | 49.9 | 14% | 0.14 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.9 | -47.1 | 175.1 | 172.4 | 54.8 | 72 | -171 | 4.2 | 110.6 | S22 I23 M24 N30 K31 F32 A155 K156 A158 V161 | S22-R26 WeakPolarHBondContact O-CB 3.47Å; S22-R26 PolarHBondContact O-N 2.91Å; I23-R26 PolarHBondContact O-N 2.73Å; M24-R26 PolarHBondContact O-N 2.95Å; R26-N30 VanDerWaalsContact NH1-C 3.28Å; R26-N30 PolarHBondContact NH1-O 3.28Å; R26-N30 PolarHBondContact NH1-OD1 3.38Å; R26-N30 WeakPolarHBondContact O-CA 3.36Å; R26-N30 PolarHBondContact O-N 3.21Å; R26-K31 WeakPolarHBondContact CA-O 3.36Å; R26-K31 PolarHBondContact N-O 2.8Å; R26-F32 VanDerWaalsContact NH2-CB 3.25Å; R26-A155 HydrophobicContact CB-CB 4.4Å; R26-A155 PolarHBondContact NE-O 3.46Å; R26-A155 PolarHBondContact NH2-O 3.28Å; R26-K156 PolarHBondContact NH2-O 2.71Å; R26-A158 HydrophobicContact CG-CB 4.16Å; R26-V161 HydrophobicContact CB-CG1 4.39Å; R26-V161 HydrophobicContact CG-CB 4.22Å; R26-V161 HydrophobicContact CG-CG1 3.98Å; R26-V161 HydrophobicContact CG-CG2 4.05Å |
| 27 | Y | 98.3 | Very high | 94.9 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.7 | -42.7 | -178 | -177 | -120.2 | 0 | 0 | 0 | 113.4 | I23 M24 K47 L49 L58 I60 V161 A162 F165 | I23-Y27 WeakPolarHBondContact O-CB 3.49Å; I23-Y27 PolarHBondContact O-N 3.41Å; M24-Y27 PolarHBondContact O-N 2.86Å; Y27-K47 HydrophobicContact CD1-CD 3.68Å; Y27-K47 HydrophobicContact CE1-CD 3.27Å; Y27-K47 HydrophobicContact CE2-CD 4.22Å; Y27-K47 HydrophobicContact CG-CD 4.33Å; Y27-K47 PolarHBondContact O-NZ 3.01Å; Y27-L49 VanDerWaalsContact OH-CD1 3.25Å; Y27-L49 WeakPolarHBondContact OH-CD1 3.24Å; Y27-L49 WeakPolarHBondContact OH-CD2 3.4Å; Y27-L58 HydrophobicContact CE1-CD2 4.32Å; Y27-I60 HydrophobicContact CD1-CD1 3.55Å; Y27-I60 HydrophobicContact CE1-CD1 3.82Å; Y27-V161 HydrophobicContact CD2-CG1 4.4Å; Y27-V161 HydrophobicContact CG-CG1 4.49Å; Y27-A162 HydrophobicContact CD2-CB 4.4Å; Y27-A162 HydrophobicContact CE2-CB 4.23Å; Y27-F165 HydrophobicContact CD1-CB 4.06Å; Y27-F165 AromaticContact CD1-CD1 3.88Å; Y27-F165 HydrophobicContact CD1-CD1 3.88Å; Y27-F165 AromaticContact CD1-CD2 3.46Å; Y27-F165 HydrophobicContact CD1-CD2 3.46Å; Y27-F165 VanDerWaalsContact CD1-CD2 3.46Å; Y27-F165 HydrophobicContact CD1-CE1 4.15Å; Y27-F165 AromaticContact CD1-CE2 3.77Å; Y27-F165 HydrophobicContact CD1-CE2 3.77Å; Y27-F165 AromaticContact CD1-CG 3.53Å; Y27-F165 HydrophobicContact CD1-CG 3.53Å; Y27-F165 HydrophobicContact CD1-CZ 4.11Å; Y27-F165 HydrophobicContact CD2-CB 4.11Å; Y27-F165 AromaticContact CD2-CD2 3.66Å; Y27-F165 HydrophobicContact CD2-CD2 3.66Å; Y27-F165 HydrophobicContact CD2-CE2 4.39Å; Y27-F165 HydrophobicContact CD2-CG 4.1Å; Y27-F165 HydrophobicContact CE1-CB 3.57Å; Y27-F165 AromaticContact CE1-CD1 3.82Å; Y27-F165 HydrophobicContact CE1-CD1 3.82Å; Y27-F165 AromaticContact CE1-CD2 3.91Å; Y27-F165 HydrophobicContact CE1-CD2 3.91Å; Y27-F165 HydrophobicContact CE1-CE1 4.49Å; Y27-F165 AromaticContact CE1-CG 3.5Å; Y27-F165 HydrophobicContact CE1-CG 3.5Å; Y27-F165 VanDerWaalsContact CE1-CG 3.5Å; Y27-F165 HydrophobicContact CE2-CB 3.65Å; Y27-F165 HydrophobicContact CE2-CD2 4.11Å; Y27-F165 HydrophobicContact CE2-CG 4.1Å; Y27-F165 HydrophobicContact CG-CB 4.29Å; Y27-F165 AromaticContact CG-CD2 3.3Å; Y27-F165 HydrophobicContact CG-CD2 3.3Å; Y27-F165 AromaticContact CG-CE2 3.65Å; Y27-F165 HydrophobicContact CG-CE2 3.65Å; Y27-F165 AromaticContact CG-CG 3.82Å; Y27-F165 HydrophobicContact CG-CG 3.82Å; Y27-F165 HydrophobicContact CG-CZ 4.41Å; Y27-F165 AromaticContact CZ-CG 3.8Å |
| 28 | V | 97.5 | Very high | 94.5 | Very high | 34 Ų | 34 | 61.1 Ų | 61.1 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -80.3 | -46.9 | -175 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | M24 L45 K47 I60 | M24-V28 HydrophobicContact CG-CG2 4.47Å; M24-V28 WeakPolarHBondContact O-CG2 3.25Å; M24-V28 PolarHBondContact O-N 2.94Å; V28-L45 HydrophobicContact CB-CB 4.43Å; V28-L45 HydrophobicContact CB-CD1 3.98Å; V28-L45 HydrophobicContact CG1-CB 4.14Å; V28-L45 HydrophobicContact CG1-CD1 4.04Å; V28-L45 HydrophobicContact CG2-CB 3.94Å; V28-L45 HydrophobicContact CG2-CD1 4.16Å; V28-K47 HydrophobicContact CG2-CB 4.35Å; V28-I60 HydrophobicContact CG2-CD1 3.77Å |
| 29 | T | 95.8 | Very high | 93.9 | Very high | 66 Ų | 66 | 62.2 Ų | 62.2 | 41% | 0.405 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -110.4 | -5.9 | -168.5 | 72.2 | 0 | 0 | 0 | 0 | 114 | N25 K31 | N25-T29 WeakPolarHBondContact O-CA 3.5Å; N25-T29 WeakPolarHBondContact O-CB 3.3Å; N25-T29 PolarHBondContact O-N 2.8Å; N25-T29 PolarHBondContact O-OG1 2.86Å; T29-K31 PolarHBondContact O-N 3.04Å; T29-K31 WeakPolarHBondContact OG1-CB 3.31Å; T29-K31 PolarHBondContact OG1-N 2.94Å |
| 30 | N | 95.7 | Very high | 93.3 | Very high | 113 Ų | 113 | 66.8 Ų | 66.8 | 60% | 0.604 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 54.2 | 34.1 | -172.1 | -161.2 | 23.2 | 0 | 0 | 0 | 113.6 | N25 R26 | N25-N30 PolarHBondContact O-N 3.26Å; R26-N30 VanDerWaalsContact NH1-C 3.28Å; R26-N30 PolarHBondContact NH1-O 3.28Å; R26-N30 PolarHBondContact NH1-OD1 3.38Å; R26-N30 WeakPolarHBondContact O-CA 3.36Å; R26-N30 PolarHBondContact O-N 3.21Å |
| 31 | K | 93.8 | Very high | 92.9 | Very high | 147 Ų | 147 | 67.4 Ų | 67.4 | 64% | 0.639 | 35% | 0.349 | S | S | * | . | trans | -120.6 | 149.2 | 177.1 | -64.9 | 178.8 | -178.4 | -179.8 | 0 | 110.8 | N25 R26 T29 | N25-K31 CarbonylContact C-O 3.55Å; R26-K31 WeakPolarHBondContact CA-O 3.36Å; R26-K31 PolarHBondContact N-O 2.8Å; T29-K31 PolarHBondContact O-N 3.04Å; T29-K31 WeakPolarHBondContact OG1-CB 3.31Å; T29-K31 PolarHBondContact OG1-N 2.94Å | ||
| 32 | F | 95.4 | Very high | 92.6 | Very high | 80 Ų | 80 | 68.1 Ų | 68.1 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | trans | -126.8 | 134.4 | 170.4 | 173.8 | -97.8 | 0 | 0 | 0 | 108.6 | R26 A34 A155 K156 | R26-F32 VanDerWaalsContact NH2-CB 3.25Å; F32-A34 HydrophobicContact CE1-CB 3.94Å; F32-A34 HydrophobicContact CZ-CB 4.44Å; F32-A155 HydrophobicContact CD2-CB 4.22Å; F32-A155 WeakPolarHBondContact CD2-O 3.03Å; F32-A155 HydrophobicContact CE2-CB 4.44Å; F32-K156 HydrophobicContact CD1-CB 4.5Å; F32-K156 HydrophobicContact CD1-CG 4.16Å; F32-K156 HydrophobicContact CD2-CB 4.31Å; F32-K156 HydrophobicContact CE1-CB 4.28Å; F32-K156 HydrophobicContact CE1-CG 3.89Å; F32-K156 HydrophobicContact CE2-CB 4.08Å; F32-K156 HydrophobicContact CZ-CB 4.07Å; F32-K156 HydrophobicContact CZ-CG 4.12Å | ||
| 33 | D | 92.4 | Very high | 92.5 | Very high | 81 Ų | 81 | 73.1 Ų | 73.1 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | trans | -124.8 | 119.7 | 174.1 | -178.6 | -1 | 0 | 0 | 0 | 108.2 | H35 L36 | D33-H35 PolarHBondContact O-N 2.78Å; D33-H35 PolarHBondContact OD1-N 2.9Å; D33-L36 HydrophobicContact CB-CD1 4.29Å; D33-L36 HydrophobicContact CB-CG 4.06Å; D33-L36 WeakPolarHBondContact O-CD1 3.33Å | ||
| 34 | A | 86.5 | Confident | 92.4 | Very high | 72 Ų | 72 | 77.7 Ų | 77.7 | 60% | 0.595 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F32 | F32-A34 HydrophobicContact CE1-CB 3.94Å; F32-A34 HydrophobicContact CZ-CB 4.44Å |
| 35 | H | 86.3 | Confident | 92.3 | Very high | 152 Ų | 152 | 80.3 Ų | 80.3 | 70% | 0.704 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 21.1 | -173.3 | -57.8 | -63.7 | 0 | 0 | 0 | 113.2 | D33 F37 | D33-H35 PolarHBondContact O-N 2.78Å; D33-H35 PolarHBondContact OD1-N 2.9Å; H35-F37 PolarHBondContact O-N 3.31Å |
| 36 | L | 83.9 | Confident | 92.3 | Very high | 71 Ų | 71 | 82.6 Ų | 82.6 | 37% | 0.372 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 124 | 173.8 | -81 | 160.4 | 0 | 0 | 0 | 110.9 | S22 D33 | S22-L36 WeakPolarHBondContact OG-CD1 3.47Å; D33-L36 HydrophobicContact CB-CD1 4.29Å; D33-L36 HydrophobicContact CB-CG 4.06Å; D33-L36 WeakPolarHBondContact O-CD1 3.33Å |
| 37 | F | 87.3 | Confident | 92.3 | Very high | 192 Ų | 192 | 83.7 Ų | 83.7 | 84% | 0.842 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 164.3 | 173.8 | -67.6 | -80.8 | 0 | 0 | 0 | 111.4 | H35 T39 | H35-F37 PolarHBondContact O-N 3.31Å; F37-T39 PolarHBondContact O-N 2.78Å |
| 38 | H | 87.3 | Confident | 92.2 | Very high | 121 Ų | 121 | 86.6 Ų | 86.6 | 56% | 0.56 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 129.4 | 174.3 | -63.5 | -55.7 | 0 | 0 | 0 | 112 | I40 Q66 | H38-I40 PolarHBondContact O-N 2.8Å; H38-Q66 PolarHBondContact CD2-NE2 3.16Å; H38-Q66 VanDerWaalsContact CD2-NE2 3.29Å |
| 39 | T | 86.4 | Confident | 92 | Very high | 23 Ų | 23 | 86.5 Ų | 86.5 | 14% | 0.141 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 122.1 | 169.7 | -45 | 0 | 0 | 0 | 0 | 110.1 | S21 F37 D62 A64 | S21-T39 PolarHBondContact OG-OG1 2.82Å; S21-T39 VanDerWaalsContact OG-OG1 3.13Å; F37-T39 PolarHBondContact O-N 2.78Å; T39-D62 PolarHBondContact OG1-OD2 3.49Å; T39-A64 WeakPolarHBondContact O-CA 3.5Å; T39-A64 WeakPolarHBondContact O-CB 3.4Å |
| 40 | I | 86.1 | Confident | 91.7 | Very high | 108 Ų | 108 | 90.3 Ų | 90.3 | 55% | 0.554 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -89.8 | -23.8 | -180 | -68.4 | 169.6 | 0 | 0 | 0 | 111.5 | H38 F69 L72 | H38-I40 PolarHBondContact O-N 2.8Å; I40-F69 HydrophobicContact CB-CE2 4.47Å; I40-F69 HydrophobicContact CB-CZ 4.39Å; I40-F69 HydrophobicContact CG1-CE2 4.12Å; I40-F69 HydrophobicContact CG1-CZ 3.99Å; I40-F69 HydrophobicContact CG2-CD1 4.18Å; I40-F69 HydrophobicContact CG2-CE1 3.88Å; I40-F69 HydrophobicContact CG2-CZ 4.11Å; I40-F69 WeakPolarHBondContact O-CB 3.37Å; I40-F69 WeakPolarHBondContact O-CG 3.42Å; I40-L72 HydrophobicContact CG2-CD1 4.37Å; I40-L72 VanDerWaalsContact O-CD1 3.23Å; I40-L72 WeakPolarHBondContact O-CD1 3.36Å |
| 41 | G | 88.3 | Confident | 91.4 | Very high | 23 Ų | 23 | 85.6 Ų | 85.6 | 24% | 0.237 | 43% | 0.432 | C | S | . | . | S | Bend | trans | -135.4 | -119.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A64 | G41-A64 WeakPolarHBondContact O-CB 3.45Å; G41-A64 PolarHBondContact O-N 2.59Å |
| 42 | V | 93.6 | Very high | 91.1 | Very high | 35 Ų | 35 | 84.5 Ų | 84.5 | 21% | 0.212 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 135.3 | -177.7 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | W61 D62 T63 R73 F76 | V42-W61 HydrophobicContact CG1-CE3 3.38Å; V42-W61 HydrophobicContact CG1-CZ3 3.86Å; V42-D62 WeakPolarHBondContact CA-O 3.48Å; V42-D62 WeakPolarHBondContact CG1-O 3.48Å; V42-T63 HydrophobicContact CG2-CG2 4.31Å; V42-R73 HydrophobicContact CG2-CB 4.02Å; V42-F76 HydrophobicContact CB-CD2 3.97Å; V42-F76 HydrophobicContact CB-CE2 4.14Å; V42-F76 HydrophobicContact CB-CG 4.3Å; V42-F76 HydrophobicContact CG1-CB 4.3Å; V42-F76 HydrophobicContact CG1-CD1 4.45Å; V42-F76 HydrophobicContact CG1-CD2 4.25Å; V42-F76 HydrophobicContact CG1-CG 4.08Å; V42-F76 HydrophobicContact CG2-CB 4.41Å; V42-F76 HydrophobicContact CG2-CD2 3.48Å; V42-F76 VanDerWaalsContact CG2-CD2 3.48Å; V42-F76 HydrophobicContact CG2-CE2 3.94Å; V42-F76 HydrophobicContact CG2-CG 4.08Å |
| 43 | E | 94.9 | Very high | 90.6 | Very high | 121 Ų | 121 | 83.4 Ų | 83.4 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 154 | 173.6 | -67.4 | -174.7 | 177 | 0 | 0 | 108.6 | W61 D62 | E43-W61 CarbonylContact O-C 3.56Å; E43-W61 WeakPolarHBondContact O-CA 3.49Å; E43-D62 PolarHBondContact N-O 3.35Å; E43-D62 PolarHBondContact O-N 2.86Å |
| 44 | F | 96.1 | Very high | 90.4 | Very high | 97 Ų | 97 | 82.8 Ų | 82.8 | 43% | 0.425 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 150.2 | 172.6 | 73.3 | -91.1 | 0 | 0 | 0 | 112 | Q59 I60 W61 | F44-Q59 HydrophobicContact CB-CG 4.29Å; F44-Q59 HydrophobicContact CD2-CG 3.6Å; F44-Q59 HydrophobicContact CE2-CG 4.24Å; F44-Q59 HydrophobicContact CG-CG 4.1Å; F44-I60 CarbonylContact C-O 3.59Å; F44-I60 WeakPolarHBondContact CA-O 3.25Å; F44-I60 VanDerWaalsContact CB-O 3.26Å; F44-I60 WeakPolarHBondContact CB-O 3.04Å; F44-W61 HydrophobicContact CB-CD2 3.92Å; F44-W61 HydrophobicContact CB-CE3 4.14Å; F44-W61 HydrophobicContact CB-CG 4.11Å; F44-W61 HydrophobicContact CD1-CE3 4.34Å; F44-W61 HydrophobicContact CD1-CH2 4.04Å; F44-W61 HydrophobicContact CD1-CZ2 4.33Å; F44-W61 HydrophobicContact CD1-CZ3 4.03Å; F44-W61 HydrophobicContact CE1-CH2 4.47Å; F44-W61 HydrophobicContact CG-CD2 4.5Å |
| 45 | L | 97.6 | Very high | 90.7 | Very high | 56 Ų | 56 | 86.5 Ų | 86.5 | 29% | 0.293 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.3 | 172.4 | -67.4 | -179.2 | 0 | 0 | 0 | 110 | M24 V28 I60 | M24-L45 HydrophobicContact CE-CD1 4.02Å; M24-L45 HydrophobicContact CE-CG 4.08Å; M24-L45 HydrophobicContact CG-CB 4.44Å; M24-L45 HydrophobicContact CG-CD1 4.13Å; M24-L45 HydrophobicContact CG-CG 4.48Å; M24-L45 HydrophobicContact SD-CB 4.2Å; M24-L45 HydrophobicContact SD-CD1 4.26Å; M24-L45 HydrophobicContact SD-CG 4.07Å; V28-L45 HydrophobicContact CB-CB 4.43Å; V28-L45 HydrophobicContact CB-CD1 3.98Å; V28-L45 HydrophobicContact CG1-CB 4.14Å; V28-L45 HydrophobicContact CG1-CD1 4.04Å; V28-L45 HydrophobicContact CG2-CB 3.94Å; V28-L45 HydrophobicContact CG2-CD1 4.16Å; L45-I60 PolarHBondContact N-O 3.06Å; L45-I60 PolarHBondContact O-N 3.1Å |
| 46 | N | 97.6 | Very high | 91.1 | Very high | 89 Ų | 89 | 79.5 Ų | 79.5 | 48% | 0.476 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 142.3 | 174.9 | -69 | -23.4 | 0 | 0 | 0 | 110.8 | T57 L58 | N46-T57 HydrophobicContact CB-CG2 4.4Å; N46-L58 CarbonylContact C-O 3.59Å; N46-L58 VanDerWaalsContact CA-O 3.24Å; N46-L58 WeakPolarHBondContact CA-O 3.44Å |
| 47 | K | 97.1 | Very high | 91.7 | Very high | 60 Ų | 60 | 78 Ų | 78 | 26% | 0.261 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 123.7 | 168.6 | -167.5 | -172.7 | 177 | 81.3 | 0 | 109.6 | Y27 V28 L49 L58 | Y27-K47 HydrophobicContact CD1-CD 3.68Å; Y27-K47 HydrophobicContact CE1-CD 3.27Å; Y27-K47 HydrophobicContact CE2-CD 4.22Å; Y27-K47 HydrophobicContact CG-CD 4.33Å; Y27-K47 PolarHBondContact O-NZ 3.01Å; V28-K47 HydrophobicContact CG2-CB 4.35Å; K47-L49 HydrophobicContact CD-CD2 3.73Å; K47-L49 HydrophobicContact CG-CD2 3.88Å; K47-L58 PolarHBondContact N-O 3.01Å; K47-L58 PolarHBondContact O-N 2.93Å |
| 48 | T | 95.9 | Very high | 92.2 | Very high | 77 Ų | 77 | 68.8 Ų | 68.8 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.3 | 174.9 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | Q55 V56 T57 | T48-Q55 HydrophobicContact CG2-CB 4.36Å; T48-V56 CarbonylContact C-O 3.58Å; T48-V56 WeakPolarHBondContact CA-O 3.4Å; T48-T57 PolarHBondContact OG1-OG1 3.27Å |
| 49 | L | 93.1 | Very high | 92.7 | Very high | 33 Ų | 33 | 64.9 Ų | 64.9 | 17% | 0.173 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 161.7 | 178 | -42.7 | 175.6 | 0 | 0 | 0 | 109.2 | Y27 K47 V51 Q55 V56 L58 V169 | Y27-L49 VanDerWaalsContact OH-CD1 3.25Å; Y27-L49 WeakPolarHBondContact OH-CD1 3.24Å; Y27-L49 WeakPolarHBondContact OH-CD2 3.4Å; K47-L49 HydrophobicContact CD-CD2 3.73Å; K47-L49 HydrophobicContact CG-CD2 3.88Å; L49-V51 HydrophobicContact CB-CG2 4.42Å; L49-Q55 WeakPolarHBondContact O-CA 3.41Å; L49-V56 PolarHBondContact N-O 3.44Å; L49-V56 PolarHBondContact O-N 2.69Å; L49-L58 HydrophobicContact CB-CD1 4.49Å; L49-L58 HydrophobicContact CD1-CD1 3.28Å; L49-L58 HydrophobicContact CD1-CD2 4.34Å; L49-L58 HydrophobicContact CD1-CG 4.45Å; L49-L58 HydrophobicContact CG-CD1 3.54Å; L49-V169 HydrophobicContact CD1-CG2 4.14Å |
| 50 | E | 91.3 | Very high | 93.3 | Very high | 146 Ų | 146 | 63.8 Ų | 63.8 | 68% | 0.682 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 124.1 | 166.1 | -169.1 | 177.8 | 143.3 | 0 | 0 | 109 | N54 | E50-N54 CarbonylContact C-O 3.56Å; E50-N54 WeakPolarHBondContact CA-O 3.36Å |
| 51 | V | 88.4 | Confident | 93.9 | Very high | 14 Ų | 14 | 60 Ų | 60 | 9% | 0.085 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 119.9 | 179.8 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | L49 G53 N54 V56 V169 L173 | L49-V51 HydrophobicContact CB-CG2 4.42Å; V51-G53 PolarHBondContact O-N 3.39Å; V51-N54 PolarHBondContact N-O 3.3Å; V51-N54 WeakPolarHBondContact O-CB 3.44Å; V51-N54 PolarHBondContact O-N 3.44Å; V51-V56 HydrophobicContact CB-CG2 4.37Å; V51-V56 HydrophobicContact CG2-CG2 4.4Å; V51-V169 HydrophobicContact CG2-CG1 3.86Å; V51-L173 HydrophobicContact CB-CD1 4.46Å; V51-L173 HydrophobicContact CG1-CD1 3.96Å |
| 52 | D | 86.8 | Confident | 94.3 | Very high | 124 Ų | 124 | 59 Ų | 59 | 66% | 0.663 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 40.9 | -174.4 | -57.1 | -31.3 | 0 | 0 | 0 | 113.5 | R4 N54 | R4-D52 IonicContact NH1-OD2 3.13Å; D52-N54 VanDerWaalsContact C-N 3.26Å; D52-N54 PolarHBondContact O-N 3.03Å; D52-N54 PolarHBondContact O-ND2 3.32Å |
| 53 | G | 86.1 | Confident | 94.4 | Very high | 57 Ų | 57 | 57.3 Ų | 57.3 | 59% | 0.588 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 8.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | V51 | V51-G53 PolarHBondContact O-N 3.39Š|
| 54 | N | 87.4 | Confident | 94.4 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 36% | 0.364 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.8 | 176.3 | -58.5 | -82.6 | 0 | 0 | 0 | 110.7 | R4 E50 V51 D52 V56 | R4-N54 PolarHBondContact NH1-ND2 2.87Å; E50-N54 CarbonylContact C-O 3.56Å; E50-N54 WeakPolarHBondContact CA-O 3.36Å; V51-N54 PolarHBondContact N-O 3.3Å; V51-N54 WeakPolarHBondContact O-CB 3.44Å; V51-N54 PolarHBondContact O-N 3.44Å; D52-N54 VanDerWaalsContact C-N 3.26Å; D52-N54 PolarHBondContact O-N 3.03Å; D52-N54 PolarHBondContact O-ND2 3.32Å; N54-V56 PolarHBondContact O-N 3.25Å |
| 55 | Q | 92.4 | Very high | 94.3 | Very high | 149 Ų | 149 | 47.3 Ų | 47.3 | 70% | 0.696 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 124.7 | 171.8 | -72.7 | -172.5 | 15.7 | 0 | 0 | 110.9 | T48 L49 | T48-Q55 HydrophobicContact CG2-CB 4.36Å; L49-Q55 WeakPolarHBondContact O-CA 3.41Å |
| 56 | V | 94.8 | Very high | 94.1 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 127.5 | 175.6 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | L8 T48 L49 V51 N54 L58 L173 | L8-V56 HydrophobicContact CB-CG1 4.45Å; L8-V56 HydrophobicContact CD1-CG1 3.57Å; L8-V56 HydrophobicContact CG-CG1 3.72Å; T48-V56 CarbonylContact C-O 3.58Å; T48-V56 WeakPolarHBondContact CA-O 3.4Å; L49-V56 PolarHBondContact N-O 3.44Å; L49-V56 PolarHBondContact O-N 2.69Å; V51-V56 HydrophobicContact CB-CG2 4.37Å; V51-V56 HydrophobicContact CG2-CG2 4.4Å; N54-V56 PolarHBondContact O-N 3.25Å; V56-L58 HydrophobicContact CG1-CD1 4.41Å; V56-L173 HydrophobicContact CG2-CD1 4.46Å |
| 57 | T | 96.8 | Very high | 93.7 | Very high | 39 Ų | 39 | 50 Ų | 50 | 24% | 0.239 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 120.3 | 173 | -60.1 | 0 | 0 | 0 | 0 | 109.1 | S6 L7 L8 N46 T48 | S6-T57 PolarHBondContact O-N 3.48Å; L7-T57 CarbonylContact C-O 3.57Å; L7-T57 VanDerWaalsContact CA-O 3.3Å; L7-T57 WeakPolarHBondContact CA-O 3.16Å; L7-T57 HydrophobicContact CD1-CG2 3.96Å; L8-T57 PolarHBondContact N-O 3.12Å; N46-T57 HydrophobicContact CB-CG2 4.4Å; T48-T57 PolarHBondContact OG1-OG1 3.27Å |
| 58 | L | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.7 | 170.5 | -69.6 | 76 | 0 | 0 | 0 | 108.4 | L8 V10 Y27 N46 K47 L49 V56 I60 F165 V169 | L8-L58 CarbonylContact O-C 3.54Å; L8-L58 WeakPolarHBondContact O-CA 3.35Å; V10-L58 HydrophobicContact CG2-CD2 4.25Å; Y27-L58 HydrophobicContact CE1-CD2 4.32Å; N46-L58 CarbonylContact C-O 3.59Å; N46-L58 VanDerWaalsContact CA-O 3.24Å; N46-L58 WeakPolarHBondContact CA-O 3.44Å; K47-L58 PolarHBondContact N-O 3.01Å; K47-L58 PolarHBondContact O-N 2.93Å; L49-L58 HydrophobicContact CB-CD1 4.49Å; L49-L58 HydrophobicContact CD1-CD1 3.28Å; L49-L58 HydrophobicContact CD1-CD2 4.34Å; L49-L58 HydrophobicContact CD1-CG 4.45Å; L49-L58 HydrophobicContact CG-CD1 3.54Å; V56-L58 HydrophobicContact CG1-CD1 4.41Å; L58-I60 HydrophobicContact CB-CD1 4.38Å; L58-I60 HydrophobicContact CB-CG1 3.95Å; L58-I60 HydrophobicContact CD2-CD1 4.47Å; L58-I60 HydrophobicContact CD2-CG1 4.39Å; L58-F165 HydrophobicContact CD2-CD1 4.32Å; L58-V169 HydrophobicContact CD1-CG2 3.75Å; L58-V169 HydrophobicContact CD2-CG2 3.43Å; L58-V169 VanDerWaalsContact CD2-CG2 3.43Å; L58-V169 HydrophobicContact CG-CG2 3.75Å |
| 59 | Q | 98.3 | Very high | 93.3 | Very high | 39 Ų | 39 | 54.3 Ų | 54.3 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 107 | 161.4 | -167.3 | -179.4 | 48.8 | 0 | 0 | 107.4 | L7 L8 V10 F44 W61 | L7-Q59 HydrophobicContact CD1-CB 4.29Å; L8-Q59 PolarHBondContact O-N 3.08Å; V10-Q59 PolarHBondContact N-O 3.17Å; F44-Q59 HydrophobicContact CB-CG 4.29Å; F44-Q59 HydrophobicContact CD2-CG 3.6Å; F44-Q59 HydrophobicContact CE2-CG 4.24Å; F44-Q59 HydrophobicContact CG-CG 4.1Å; Q59-W61 HydrophobicContact CG-CZ2 4.39Å; Q59-W61 VanDerWaalsContact CG-NE1 3.28Å; Q59-W61 VanDerWaalsContact O-CD1 3.26Å; Q59-W61 VanDerWaalsContact OE1-CE2 3.29Å; Q59-W61 VanDerWaalsContact OE1-CZ2 3.24Å |
| 60 | I | 98.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 116.4 | -174 | -55.7 | 167.3 | 0 | 0 | 0 | 108.1 | V10 L12 M24 Y27 V28 F44 L45 L58 F165 | V10-I60 CarbonylContact O-C 3.4Å; V10-I60 WeakPolarHBondContact O-CA 3.42Å; L12-I60 HydrophobicContact CD1-CG2 3.37Å; M24-I60 HydrophobicContact CB-CG2 4.32Å; M24-I60 HydrophobicContact CG-CB 4.32Å; M24-I60 HydrophobicContact CG-CG2 3.78Å; M24-I60 HydrophobicContact SD-CG2 4.15Å; Y27-I60 HydrophobicContact CD1-CD1 3.55Å; Y27-I60 HydrophobicContact CE1-CD1 3.82Å; V28-I60 HydrophobicContact CG2-CD1 3.77Å; F44-I60 CarbonylContact C-O 3.59Å; F44-I60 WeakPolarHBondContact CA-O 3.25Å; F44-I60 VanDerWaalsContact CB-O 3.26Å; F44-I60 WeakPolarHBondContact CB-O 3.04Å; L45-I60 PolarHBondContact N-O 3.06Å; L45-I60 PolarHBondContact O-N 3.1Å; L58-I60 HydrophobicContact CB-CD1 4.38Å; L58-I60 HydrophobicContact CB-CG1 3.95Å; L58-I60 HydrophobicContact CD2-CD1 4.47Å; L58-I60 HydrophobicContact CD2-CG1 4.39Å; I60-F165 HydrophobicContact CD1-CD1 4.2Å; I60-F165 HydrophobicContact CD1-CE1 3.79Å; I60-F165 HydrophobicContact CD1-CZ 4.3Å; I60-F165 HydrophobicContact CG1-CE1 4.03Å; I60-F165 HydrophobicContact CG2-CE1 3.73Å; I60-F165 HydrophobicContact CG2-CZ 3.99Å |
| 61 | W | 98.3 | Very high | 93.4 | Very high | 29 Ų | 29 | 54.3 Ų | 54.3 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 110 | -174.9 | -67 | 76 | 0 | 0 | 0 | 110.5 | V10 I11 L12 V42 E43 F44 Q59 F76 | V10-W61 PolarHBondContact O-N 2.77Å; I11-W61 HydrophobicContact CB-CB 4.26Å; I11-W61 HydrophobicContact CG1-CB 3.99Å; L12-W61 PolarHBondContact N-O 3.49Å; V42-W61 HydrophobicContact CG1-CE3 3.38Å; V42-W61 HydrophobicContact CG1-CZ3 3.86Å; E43-W61 CarbonylContact O-C 3.56Å; E43-W61 WeakPolarHBondContact O-CA 3.49Å; F44-W61 HydrophobicContact CB-CD2 3.92Å; F44-W61 HydrophobicContact CB-CE3 4.14Å; F44-W61 HydrophobicContact CB-CG 4.11Å; F44-W61 HydrophobicContact CD1-CE3 4.34Å; F44-W61 HydrophobicContact CD1-CH2 4.04Å; F44-W61 HydrophobicContact CD1-CZ2 4.33Å; F44-W61 HydrophobicContact CD1-CZ3 4.03Å; F44-W61 HydrophobicContact CE1-CH2 4.47Å; F44-W61 HydrophobicContact CG-CD2 4.5Å; Q59-W61 HydrophobicContact CG-CZ2 4.39Å; Q59-W61 VanDerWaalsContact CG-NE1 3.28Å; Q59-W61 VanDerWaalsContact O-CD1 3.26Å; Q59-W61 VanDerWaalsContact OE1-CE2 3.29Å; Q59-W61 VanDerWaalsContact OE1-CZ2 3.24Å; W61-F76 HydrophobicContact CE3-CB 4.27Å; W61-F76 HydrophobicContact CE3-CD1 4.09Å; W61-F76 HydrophobicContact CE3-CG 4.43Å; W61-F76 AromaticContact CH2-CD1 3.86Å; W61-F76 HydrophobicContact CH2-CD1 3.86Å; W61-F76 HydrophobicContact CH2-CE1 4.35Å; W61-F76 HydrophobicContact CZ3-CB 4.28Å; W61-F76 AromaticContact CZ3-CD1 3.29Å; W61-F76 HydrophobicContact CZ3-CD1 3.29Å; W61-F76 AromaticContact CZ3-CE1 3.86Å; W61-F76 HydrophobicContact CZ3-CE1 3.86Å; W61-F76 HydrophobicContact CZ3-CG 4.04Å |
| 62 | D | 97.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 140.1 | 168 | 179.9 | 44.6 | 0 | 0 | 0 | 110.4 | K20 S21 M24 T39 V42 E43 | K20-D62 WeakPolarHBondContact CB-OD1 3.46Å; S21-D62 VanDerWaalsContact CB-OD2 3.26Å; S21-D62 WeakPolarHBondContact CB-OD2 3.29Å; S21-D62 PolarHBondContact N-OD1 2.87Å; S21-D62 VanDerWaalsContact OG-CG 3.31Å; S21-D62 PolarHBondContact OG-OD1 2.86Å; S21-D62 PolarHBondContact OG-OD2 2.84Å; M24-D62 HydrophobicContact CE-CB 3.6Å; M24-D62 HydrophobicContact SD-CB 3.71Å; T39-D62 PolarHBondContact OG1-OD2 3.49Å; V42-D62 WeakPolarHBondContact CA-O 3.48Å; V42-D62 WeakPolarHBondContact CG1-O 3.48Å; E43-D62 PolarHBondContact N-O 3.35Å; E43-D62 PolarHBondContact O-N 2.86Å |
| 63 | T | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 151.5 | -173.5 | 69.1 | 0 | 0 | 0 | 0 | 113 | I11 L12 L13 K20 V42 G65 R73 | I11-T63 HydrophobicContact CD1-CG2 3.85Å; I11-T63 HydrophobicContact CG1-CG2 3.78Å; L12-T63 PolarHBondContact O-OG1 2.92Å; L13-T63 HydrophobicContact CD2-CG2 4.06Å; L13-T63 WeakPolarHBondContact CD2-OG1 3.43Å; K20-T63 WeakPolarHBondContact CE-O 3.34Å; V42-T63 HydrophobicContact CG2-CG2 4.31Å; T63-G65 PolarHBondContact O-N 2.83Å; T63-R73 HydrophobicContact CG2-CB 4.49Å |
| 64 | A | 94.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -62.3 | 117.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T39 G41 F69 R73 | T39-A64 WeakPolarHBondContact O-CA 3.5Å; T39-A64 WeakPolarHBondContact O-CB 3.4Å; G41-A64 WeakPolarHBondContact O-CB 3.45Å; G41-A64 PolarHBondContact O-N 2.59Å; A64-F69 HydrophobicContact CB-CB 3.63Å; A64-F69 HydrophobicContact CB-CD2 4.11Å; A64-F69 HydrophobicContact CB-CG 4.28Å; A64-R73 VanDerWaalsContact O-CD 3.25Å; A64-R73 WeakPolarHBondContact O-CD 3.4Å; A64-R73 PolarHBondContact O-NH1 3.45Å | ||
| 65 | G | 93.6 | Very high | 95 | Very high | 9 Ų | 9 | 51 Ų | 51 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | trans | -81 | -10.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G14 G16 T63 W101 | G14-G65 WeakPolarHBondContact O-CA 3.07Å; G16-G65 PolarHBondContact N-O 3.33Å; T63-G65 PolarHBondContact O-N 2.83Å; G65-W101 WeakPolarHBondContact O-CZ2 3.36Å | ||
| 66 | Q | 92.9 | Very high | 95.2 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 23% | 0.234 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -82.4 | 137.2 | -179.7 | -56 | -176 | 17.1 | 0 | 0 | 110.8 | H38 R68 F69 R73 | H38-Q66 PolarHBondContact CD2-NE2 3.16Å; H38-Q66 VanDerWaalsContact CD2-NE2 3.29Å; Q66-R68 VanDerWaalsContact C-N 3.27Å; Q66-R68 HydrophobicContact CB-CG 4.01Å; Q66-R68 PolarHBondContact O-N 3.26Å; Q66-F69 HydrophobicContact CB-CD2 3.8Å; Q66-F69 HydrophobicContact CB-CE2 4.19Å; Q66-F69 HydrophobicContact CG-CD2 4.32Å; Q66-F69 HydrophobicContact CG-CE2 4.37Å; Q66-F69 PolarHBondContact O-N 3.35Å; Q66-R73 PolarHBondContact O-NH1 3.46Å |
| 67 | E | 88.8 | Confident | 95.4 | Very high | 150 Ų | 150 | 47.5 Ų | 47.5 | 70% | 0.701 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -57 | -40.1 | -179.4 | -173.7 | -177.3 | -167.2 | 0 | 0 | 112.7 | F69 R70 | E67-F69 PolarHBondContact O-N 2.82Å; E67-R70 VanDerWaalsContact O-CB 3.22Å; E67-R70 WeakPolarHBondContact O-CB 3.26Å; E67-R70 PolarHBondContact O-N 3.48Å |
| 68 | R | 92.3 | Very high | 95.4 | Very high | 196 Ų | 196 | 53.1 Ų | 53.1 | 74% | 0.74 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -58.3 | -14.2 | 178 | 65.4 | -174.6 | -66.1 | 173.7 | -0.7 | 114.8 | Q66 | Q66-R68 VanDerWaalsContact C-N 3.27Å; Q66-R68 HydrophobicContact CB-CG 4.01Å; Q66-R68 PolarHBondContact O-N 3.26Å |
| 69 | F | 92.4 | Very high | 95.3 | Very high | 32 Ų | 32 | 55.7 Ų | 55.7 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -109 | 11.8 | 177.2 | -56.4 | -47.1 | 0 | 0 | 0 | 113.1 | I40 A64 Q66 E67 S71 L72 R73 | I40-F69 HydrophobicContact CB-CE2 4.47Å; I40-F69 HydrophobicContact CB-CZ 4.39Å; I40-F69 HydrophobicContact CG1-CE2 4.12Å; I40-F69 HydrophobicContact CG1-CZ 3.99Å; I40-F69 HydrophobicContact CG2-CD1 4.18Å; I40-F69 HydrophobicContact CG2-CE1 3.88Å; I40-F69 HydrophobicContact CG2-CZ 4.11Å; I40-F69 WeakPolarHBondContact O-CB 3.37Å; I40-F69 WeakPolarHBondContact O-CG 3.42Å; A64-F69 HydrophobicContact CB-CB 3.63Å; A64-F69 HydrophobicContact CB-CD2 4.11Å; A64-F69 HydrophobicContact CB-CG 4.28Å; Q66-F69 HydrophobicContact CB-CD2 3.8Å; Q66-F69 HydrophobicContact CB-CE2 4.19Å; Q66-F69 HydrophobicContact CG-CD2 4.32Å; Q66-F69 HydrophobicContact CG-CE2 4.37Å; Q66-F69 PolarHBondContact O-N 3.35Å; E67-F69 PolarHBondContact O-N 2.82Å; F69-S71 VanDerWaalsContact C-N 3.31Å; F69-S71 PolarHBondContact O-N 2.95Å; F69-L72 HydrophobicContact CB-CD1 4.42Å; F69-L72 HydrophobicContact CD1-CD1 4.05Å; F69-L72 WeakPolarHBondContact O-CB 3.33Å; F69-L72 PolarHBondContact O-N 3.3Å; F69-R73 PolarHBondContact O-N 3.45Å |
| 70 | R | 92.6 | Very high | 95.3 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 34% | 0.343 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -52.4 | -45.3 | 179.8 | 178 | -176.6 | -102.8 | 170.8 | -6.3 | 112.8 | E67 L72 R73 T74 E104 | E67-R70 VanDerWaalsContact O-CB 3.22Å; E67-R70 WeakPolarHBondContact O-CB 3.26Å; E67-R70 PolarHBondContact O-N 3.48Å; R70-L72 PolarHBondContact O-N 3.14Å; R70-L72 VanDerWaalsContact O-N 3.16Å; R70-R73 WeakPolarHBondContact O-CG 3.38Å; R70-R73 PolarHBondContact O-N 3.35Å; R70-R73 VanDerWaalsContact O-N 3.16Å; R70-T74 HydrophobicContact CG-CG2 3.81Å; R70-T74 WeakPolarHBondContact O-CG2 3.19Å; R70-T74 PolarHBondContact O-N 3.42Å; R70-T74 VanDerWaalsContact O-N 3.14Å; R70-T74 PolarHBondContact O-OG1 2.97Å; R70-E104 IonicContact CZ-OE2 3.57Å; R70-E104 IonicContact NE-OE2 2.77Å; R70-E104 PolarHBondContact NE-OE2 3.28Å; R70-E104 IonicContact NH2-OE2 3.39Å; R70-E104 PolarHBondContact NH2-OE2 2.88Å |
| 71 | S | 94.2 | Very high | 95.3 | Very high | 89 Ų | 89 | 55.6 Ų | 55.6 | 62% | 0.622 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.2 | -19 | 179.7 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | F69 | F69-S71 VanDerWaalsContact C-N 3.31Å; F69-S71 PolarHBondContact O-N 2.95Å |
| 72 | L | 94.2 | Very high | 95.3 | Very high | 83 Ų | 83 | 54.2 Ų | 54.2 | 44% | 0.435 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -88.3 | -23.1 | 178 | -58 | 177.8 | 0 | 0 | 0 | 112.6 | I40 F69 R70 F76 | I40-L72 HydrophobicContact CG2-CD1 4.37Å; I40-L72 VanDerWaalsContact O-CD1 3.23Å; I40-L72 WeakPolarHBondContact O-CD1 3.36Å; F69-L72 HydrophobicContact CB-CD1 4.42Å; F69-L72 HydrophobicContact CD1-CD1 4.05Å; F69-L72 WeakPolarHBondContact O-CB 3.33Å; F69-L72 PolarHBondContact O-N 3.3Å; R70-L72 PolarHBondContact O-N 3.14Å; R70-L72 VanDerWaalsContact O-N 3.16Å; L72-F76 WeakPolarHBondContact O-CD2 3.45Å; L72-F76 VanDerWaalsContact O-CE2 3.24Å; L72-F76 WeakPolarHBondContact O-CE2 3.24Å |
| 73 | R | 95 | Very high | 95.3 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.015 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -97.8 | -37.8 | -178.8 | 71.7 | -179.3 | 177.5 | -116.4 | 3 | 114.5 | V42 T63 A64 Q66 F69 R70 F76 Y77 W101 E104 | V42-R73 HydrophobicContact CG2-CB 4.02Å; T63-R73 HydrophobicContact CG2-CB 4.49Å; A64-R73 VanDerWaalsContact O-CD 3.25Å; A64-R73 WeakPolarHBondContact O-CD 3.4Å; A64-R73 PolarHBondContact O-NH1 3.45Å; Q66-R73 PolarHBondContact O-NH1 3.46Å; F69-R73 PolarHBondContact O-N 3.45Å; R70-R73 WeakPolarHBondContact O-CG 3.38Å; R70-R73 PolarHBondContact O-N 3.35Å; R70-R73 VanDerWaalsContact O-N 3.16Å; R73-F76 WeakPolarHBondContact O-CB 3.4Å; R73-F76 PolarHBondContact O-N 3.07Å; R73-Y77 HydrophobicContact CB-CE1 4.21Å; R73-Y77 WeakPolarHBondContact CD-OH 2.92Å; R73-Y77 HydrophobicContact CG-CE1 4.02Å; R73-Y77 WeakPolarHBondContact CG-OH 3.34Å; R73-Y77 PolarHBondContact NE-OH 2.96Å; R73-Y77 WeakPolarHBondContact O-CD1 3.13Å; R73-Y77 WeakPolarHBondContact O-CE1 3.41Å; R73-W101 VanDerWaalsContact NE-CZ3 3.28Å; R73-E104 IonicContact CZ-OE1 3.89Å; R73-E104 IonicContact CZ-OE2 2.77Å; R73-E104 IonicContact NE-OE1 3.91Å; R73-E104 PolarHBondContact NE-OE1 3.22Å; R73-E104 IonicContact NH2-OE1 2.91Å; R73-E104 PolarHBondContact NH2-OE1 2.85Å; R73-E104 IonicContact NH2-OE2 3.87Å; R73-E104 PolarHBondContact NH2-OE2 3.4Å |
| 74 | T | 96.3 | Very high | 95.4 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 9% | 0.092 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -62.6 | -31 | -170.4 | 55.4 | 0 | 0 | 0 | 0 | 114.8 | R70 F76 Y77 E104 Y108 | R70-T74 HydrophobicContact CG-CG2 3.81Å; R70-T74 WeakPolarHBondContact O-CG2 3.19Å; R70-T74 PolarHBondContact O-N 3.42Å; R70-T74 VanDerWaalsContact O-N 3.14Å; R70-T74 PolarHBondContact O-OG1 2.97Å; T74-F76 PolarHBondContact O-N 3.38Å; T74-F76 VanDerWaalsContact O-N 3.08Å; T74-Y77 HydrophobicContact CG2-CE2 4.02Å; T74-Y77 PolarHBondContact O-N 2.9Å; T74-E104 HydrophobicContact CG2-CG 4.43Å; T74-Y108 HydrophobicContact CG2-CD1 4.19Å; T74-Y108 HydrophobicContact CG2-CD2 3.46Å; T74-Y108 VanDerWaalsContact CG2-CD2 3.46Å; T74-Y108 HydrophobicContact CG2-CE1 4.38Å; T74-Y108 HydrophobicContact CG2-CE2 3.7Å; T74-Y108 HydrophobicContact CG2-CG 3.74Å |
| 75 | P | 97.1 | Very high | 95.6 | Very high | 91 Ų | 91 | 54.2 Ų | 54.2 | 59% | 0.591 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -59.8 | -21.2 | 173.9 | -25.3 | 36.7 | 0 | 0 | 0 | 113.9 | ||
| 76 | F | 97.1 | Very high | 95.9 | Very high | 80 Ų | 80 | 53.8 Ų | 53.8 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -91.8 | 1.3 | -177.1 | -60.6 | -82.5 | 0 | 0 | 0 | 113.5 | K9 V42 W61 L72 R73 T74 | K9-F76 VanDerWaalsContact CE-O 3.25Å; K9-F76 WeakPolarHBondContact CE-O 3.4Å; K9-F76 PolarHBondContact NZ-O 3.13Å; V42-F76 HydrophobicContact CB-CD2 3.97Å; V42-F76 HydrophobicContact CB-CE2 4.14Å; V42-F76 HydrophobicContact CB-CG 4.3Å; V42-F76 HydrophobicContact CG1-CB 4.3Å; V42-F76 HydrophobicContact CG1-CD1 4.45Å; V42-F76 HydrophobicContact CG1-CD2 4.25Å; V42-F76 HydrophobicContact CG1-CG 4.08Å; V42-F76 HydrophobicContact CG2-CB 4.41Å; V42-F76 HydrophobicContact CG2-CD2 3.48Å; V42-F76 VanDerWaalsContact CG2-CD2 3.48Å; V42-F76 HydrophobicContact CG2-CE2 3.94Å; V42-F76 HydrophobicContact CG2-CG 4.08Å; W61-F76 HydrophobicContact CE3-CB 4.27Å; W61-F76 HydrophobicContact CE3-CD1 4.09Å; W61-F76 HydrophobicContact CE3-CG 4.43Å; W61-F76 AromaticContact CH2-CD1 3.86Å; W61-F76 HydrophobicContact CH2-CD1 3.86Å; W61-F76 HydrophobicContact CH2-CE1 4.35Å; W61-F76 HydrophobicContact CZ3-CB 4.28Å; W61-F76 AromaticContact CZ3-CD1 3.29Å; W61-F76 HydrophobicContact CZ3-CD1 3.29Å; W61-F76 AromaticContact CZ3-CE1 3.86Å; W61-F76 HydrophobicContact CZ3-CE1 3.86Å; W61-F76 HydrophobicContact CZ3-CG 4.04Å; L72-F76 WeakPolarHBondContact O-CD2 3.45Å; L72-F76 VanDerWaalsContact O-CE2 3.24Å; L72-F76 WeakPolarHBondContact O-CE2 3.24Å; R73-F76 WeakPolarHBondContact O-CB 3.4Å; R73-F76 PolarHBondContact O-N 3.07Å; T74-F76 PolarHBondContact O-N 3.38Å; T74-F76 VanDerWaalsContact O-N 3.08Å |
| 77 | Y | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -77.6 | -34.7 | -178 | -68.6 | 5.3 | 0 | 0 | 0 | 112.6 | I11 L13 R73 T74 S80 E104 F105 | I11-Y77 HydrophobicContact CD1-CD1 3.41Å; I11-Y77 VanDerWaalsContact CD1-CD1 3.41Å; I11-Y77 HydrophobicContact CD1-CE1 3.86Å; I11-Y77 HydrophobicContact CD1-CG 4.33Å; L13-Y77 HydrophobicContact CD1-CE1 4.42Å; L13-Y77 HydrophobicContact CD1-CE2 4.15Å; L13-Y77 HydrophobicContact CD2-CD1 4.42Å; L13-Y77 HydrophobicContact CD2-CE1 3.51Å; L13-Y77 WeakPolarHBondContact CD2-OH 3.3Å; R73-Y77 HydrophobicContact CB-CE1 4.21Å; R73-Y77 WeakPolarHBondContact CD-OH 2.92Å; R73-Y77 HydrophobicContact CG-CE1 4.02Å; R73-Y77 WeakPolarHBondContact CG-OH 3.34Å; R73-Y77 PolarHBondContact NE-OH 2.96Å; R73-Y77 WeakPolarHBondContact O-CD1 3.13Å; R73-Y77 WeakPolarHBondContact O-CE1 3.41Å; T74-Y77 HydrophobicContact CG2-CE2 4.02Å; T74-Y77 PolarHBondContact O-N 2.9Å; Y77-S80 WeakPolarHBondContact O-CB 3.49Å; Y77-S80 PolarHBondContact O-N 3.49Å; Y77-S80 PolarHBondContact O-OG 3.2Å; Y77-E104 HydrophobicContact CE2-CG 4.05Å; Y77-E104 PolarHBondContact OH-OE1 2.87Å; Y77-F105 HydrophobicContact CD2-CB 4.49Å; Y77-F105 AromaticContact CD2-CD2 3.99Å; Y77-F105 HydrophobicContact CD2-CD2 3.99Å; Y77-F105 HydrophobicContact CG-CD2 4.11Å | ||
| 78 | R | 97.1 | Very high | 96.6 | Very high | 157 Ų | 157 | 44.3 Ų | 44.3 | 59% | 0.592 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 138.9 | -177.7 | -169.8 | 176.8 | -179.9 | 86.6 | -0.3 | 111.4 | K9 S80 D110 | K9-R78 PolarHBondContact NZ-O 2.98Å; R78-S80 VanDerWaalsContact C-N 3.27Å; R78-S80 PolarHBondContact O-N 2.97Å; R78-D110 IonicContact CZ-OD2 3.16Å; R78-D110 IonicContact NH1-OD2 2.59Å; R78-D110 PolarHBondContact NH1-OD2 3.47Å; R78-D110 IonicContact NH2-OD2 3.79Å |
| 79 | G | 95.8 | Very high | 97 | Very high | 54 Ų | 54 | 35 Ų | 35 | 56% | 0.557 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 14.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 80 | S | 98.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.063 | 19% | 0.193 | C | C | . | . | trans | -70.5 | 140.4 | 168.8 | -53.3 | 0 | 0 | 0 | 0 | 110.1 | K9 Y77 R78 F117 | K9-S80 WeakPolarHBondContact CE-OG 3.24Å; Y77-S80 WeakPolarHBondContact O-CB 3.49Å; Y77-S80 PolarHBondContact O-N 3.49Å; Y77-S80 PolarHBondContact O-OG 3.2Å; R78-S80 VanDerWaalsContact C-N 3.27Å; R78-S80 PolarHBondContact O-N 2.97Å; S80-F117 VanDerWaalsContact O-CE2 3.24Å; S80-F117 WeakPolarHBondContact O-CE2 3.38Å; S80-F117 WeakPolarHBondContact O-CZ 3.31Å | ||
| 81 | D | 97.9 | Very high | 97.5 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -97.2 | -25.5 | -179.8 | -61.4 | -49.4 | 0 | 0 | 0 | 112.1 | K5 L8 K9 P118 A172 | K5-D81 IonicContact NZ-OD1 3.77Å; K5-D81 PolarHBondContact NZ-OD1 3.23Å; K5-D81 IonicContact NZ-OD2 2.72Å; K5-D81 PolarHBondContact NZ-OD2 2.85Å; K5-D81 VanDerWaalsContact NZ-OD2 3.16Å; L8-D81 WeakPolarHBondContact CA-OD2 3.48Å; L8-D81 HydrophobicContact CD2-CB 4.3Å; K9-D81 PolarHBondContact N-OD2 3.43Å; K9-D81 PolarHBondContact O-N 3.12Å; D81-P118 WeakPolarHBondContact O-CG 3.23Å; D81-A172 HydrophobicContact CB-CB 4.12Å |
| 82 | C | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 149.4 | 172 | -178.4 | 0 | 0 | 0 | 0 | 110.4 | K9 V10 I11 P118 A172 | K9-C82 PolarHBondContact O-N 2.89Å; V10-C82 WeakPolarHBondContact CA-O 3.37Å; V10-C82 HydrophobicContact CG2-CB 4.41Å; I11-C82 PolarHBondContact N-O 3.01Å; C82-P118 WeakPolarHBondContact CA-O 3.25Å; C82-P118 HydrophobicContact CB-CB 4.07Å; C82-P118 PolarHBondContact SG-O 3.32Å; C82-A172 HydrophobicContact CB-CB 4.26Å |
| 83 | C | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 121.9 | 175.9 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | I11 F105 F117 P118 F119 V120 | I11-C83 HydrophobicContact CG2-CB 4.04Å; C83-F105 HydrophobicContact CB-CD1 4.24Å; C83-F105 HydrophobicContact CB-CD2 4.37Å; C83-F105 HydrophobicContact CB-CE1 4.04Å; C83-F105 HydrophobicContact CB-CE2 4.18Å; C83-F105 HydrophobicContact CB-CG 4.39Å; C83-F105 HydrophobicContact CB-CZ 4Å; C83-F117 HydrophobicContact CB-CE1 3.76Å; C83-P118 PolarHBondContact N-O 3.29Å; C83-F119 HydrophobicContact CB-CD1 3.65Å; C83-F119 HydrophobicContact CB-CE1 3.75Å; C83-F119 WeakPolarHBondContact O-CA 3.1Å; C83-V120 PolarHBondContact O-N 3.04Å |
| 84 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 102.6 | 172.7 | -56.3 | -175.6 | 0 | 0 | 0 | 108.8 | V10 I11 L12 L13 T86 V120 L122 F165 A168 | V10-L84 HydrophobicContact CG1-CD1 3.78Å; V10-L84 HydrophobicContact CG1-CD2 4.38Å; V10-L84 HydrophobicContact CG1-CG 3.73Å; I11-L84 PolarHBondContact O-N 3.25Å; L12-L84 HydrophobicContact CD2-CD1 4.28Å; L12-L84 HydrophobicContact CG-CB 4.22Å; L12-L84 HydrophobicContact CG-CD1 4.12Å; L13-L84 PolarHBondContact N-O 3.01Å; L84-T86 PolarHBondContact O-N 3.38Å; L84-T86 PolarHBondContact O-OG1 2.98Å; L84-V120 CarbonylContact C-O 3.32Å; L84-V120 WeakPolarHBondContact CA-O 3.22Å; L84-V120 HydrophobicContact CD2-CB 3.65Å; L84-V120 HydrophobicContact CD2-CG1 4.16Å; L84-V120 HydrophobicContact CD2-CG2 4.28Å; L84-L122 HydrophobicContact CB-CD1 4.17Å; L84-L122 HydrophobicContact CD1-CD1 4.22Å; L84-F165 HydrophobicContact CD1-CD1 3.98Å; L84-F165 HydrophobicContact CD1-CE1 3.51Å; L84-F165 HydrophobicContact CD1-CE2 4.46Å; L84-F165 HydrophobicContact CD1-CZ 3.79Å; L84-A168 HydrophobicContact CD2-CB 3.79Å |
| 85 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 113.6 | 174.4 | -66.4 | 175 | 0 | 0 | 0 | 108.8 | L13 L98 W101 K102 F119 V120 V121 L122 W141 | L13-L85 HydrophobicContact CB-CD2 4.31Å; L85-L98 HydrophobicContact CB-CD2 3.96Å; L85-W101 HydrophobicContact CD2-CB 3.92Å; L85-K102 HydrophobicContact CD1-CB 4.04Å; L85-F119 HydrophobicContact CD1-CD1 3.81Å; L85-F119 HydrophobicContact CD1-CE1 4.41Å; L85-F119 HydrophobicContact CD1-CG 4.45Å; L85-F119 HydrophobicContact CG-CD1 4.01Å; L85-V120 PolarHBondContact N-O 2.93Å; L85-V121 CarbonylContact O-C 3.54Å; L85-V121 WeakPolarHBondContact O-CA 3.38Å; L85-L122 PolarHBondContact O-N 3.29Å; L85-W141 HydrophobicContact CD1-CH2 4.23Å |
| 86 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129 | -170 | -49.5 | 0 | 0 | 0 | 0 | 110.6 | L13 G14 V18 K20 I23 L84 L122 N124 | L13-T86 WeakPolarHBondContact O-CB 3.42Å; L13-T86 PolarHBondContact O-N 3.2Å; G14-T86 VanDerWaalsContact CA-O 3.26Å; G14-T86 WeakPolarHBondContact CA-O 3.48Å; V18-T86 HydrophobicContact CB-CG2 4.47Å; V18-T86 HydrophobicContact CG2-CG2 3.82Å; K20-T86 HydrophobicContact CG-CG2 4.28Å; I23-T86 HydrophobicContact CD1-CG2 3.78Å; L84-T86 PolarHBondContact O-N 3.38Å; L84-T86 PolarHBondContact O-OG1 2.98Å; T86-L122 WeakPolarHBondContact CA-O 3.32Å; T86-L122 HydrophobicContact CG2-CB 4.19Å; T86-N124 HydrophobicContact CG2-CB 4.31Å |
| 87 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 174.9 | 167.3 | 74.9 | -83 | 0 | 0 | 0 | 109.8 | V89 S94 F95 L98 V121 L122 G123 N124 V133 A138 Y150 | F87-V89 HydrophobicContact CE2-CG1 4.24Å; F87-S94 WeakPolarHBondContact CB-OG 3.13Å; F87-F95 HydrophobicContact CB-CB 4.39Å; F87-F95 HydrophobicContact CD1-CD2 4.12Å; F87-F95 HydrophobicContact CD2-CB 3.72Å; F87-F95 HydrophobicContact CD2-CD2 4.03Å; F87-F95 HydrophobicContact CD2-CG 4.31Å; F87-F95 AromaticContact CE1-CD2 3.98Å; F87-F95 HydrophobicContact CE1-CD2 3.98Å; F87-F95 HydrophobicContact CE1-CE2 4.49Å; F87-F95 HydrophobicContact CE2-CB 4.2Å; F87-F95 AromaticContact CE2-CD2 3.93Å; F87-F95 HydrophobicContact CE2-CD2 3.93Å; F87-F95 HydrophobicContact CE2-CG 4.38Å; F87-F95 HydrophobicContact CG-CB 4.12Å; F87-F95 HydrophobicContact CG-CD2 4.12Å; F87-F95 AromaticContact CZ-CD2 3.91Å; F87-F95 HydrophobicContact CZ-CD2 3.91Å; F87-F95 HydrophobicContact CZ-CE2 4.45Å; F87-L98 HydrophobicContact CB-CD2 4.16Å; F87-L98 HydrophobicContact CB-CG 4.38Å; F87-L98 HydrophobicContact CD1-CD1 3.77Å; F87-L98 HydrophobicContact CD1-CD2 4.24Å; F87-L98 HydrophobicContact CD1-CG 4.38Å; F87-L98 HydrophobicContact CE1-CD1 4.26Å; F87-L98 HydrophobicContact CG-CD1 4.37Å; F87-V121 HydrophobicContact CD1-CG1 4.23Å; F87-V121 HydrophobicContact CE1-CG1 4.01Å; F87-L122 VanDerWaalsContact CD1-O 3.23Å; F87-L122 WeakPolarHBondContact CD1-O 3.45Å; F87-L122 PolarHBondContact N-O 3.31Å; F87-G123 VanDerWaalsContact CE1-CA 3.45Å; F87-G123 VanDerWaalsContact CZ-CA 3.48Å; F87-N124 PolarHBondContact O-N 3.49Å; F87-V133 HydrophobicContact CE2-CB 4.03Å; F87-V133 HydrophobicContact CE2-CG1 3.85Å; F87-V133 HydrophobicContact CE2-CG2 4.25Å; F87-V133 HydrophobicContact CZ-CG1 4.3Å; F87-A138 HydrophobicContact CE1-CB 4.32Å; F87-A138 HydrophobicContact CZ-CB 3.79Å; F87-Y150 AromaticContact CE1-CE2 3.68Å; F87-Y150 HydrophobicContact CE1-CE2 3.68Å; F87-Y150 AromaticContact CZ-CE2 3.84Å; F87-Y150 HydrophobicContact CZ-CE2 3.84Å |
| 88 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 132.4 | 176.7 | -152.6 | 0 | 0 | 0 | 0 | 110 | D90 D91 S94 K125 | S88-D90 WeakPolarHBondContact CB-OD1 3.43Å; S88-D90 PolarHBondContact O-N 3.5Å; S88-D90 PolarHBondContact OG-OD1 3.37Å; S88-D91 PolarHBondContact O-N 3.44Å; S88-S94 PolarHBondContact N-OG 3.12Å; S88-K125 WeakPolarHBondContact OG-CD 3.29Å; S88-K125 WeakPolarHBondContact OG-CE 3.11Å; S88-K125 WeakPolarHBondContact OG-CG 3.28Å; S88-K125 PolarHBondContact OG-NZ 3.26Å; S88-K125 VanDerWaalsContact OG-NZ 3.1Å |
| 89 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18.6 | -176.8 | -57.8 | 0 | 0 | 0 | 0 | 113.3 | F87 N124 K125 V128 R131 Q132 V133 | F87-V89 HydrophobicContact CE2-CG1 4.24Å; V89-N124 WeakPolarHBondContact CG2-O 3.2Å; V89-N124 PolarHBondContact N-O 2.83Å; V89-K125 VanDerWaalsContact CG2-O 3.29Å; V89-K125 WeakPolarHBondContact CG2-O 3.19Å; V89-V128 HydrophobicContact CG2-CG2 3.75Å; V89-R131 HydrophobicContact CB-CG 4.44Å; V89-R131 VanDerWaalsContact CG1-NH2 3.31Å; V89-R131 HydrophobicContact CG2-CG 4.03Å; V89-Q132 PolarHBondContact O-N 2.99Å; V89-V133 PolarHBondContact O-N 2.97Å; V89-V133 VanDerWaalsContact O-N 3.12Å |
| 90 | D | 98.6 | Very high | 98.6 | Very high | 46 Ų | 46 | 26.2 Ų | 26.2 | 25% | 0.246 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 8.6 | 173.2 | 64.5 | -18.2 | 0 | 0 | 0 | 113.6 | S88 K125 V128 Q132 | S88-D90 WeakPolarHBondContact CB-OD1 3.43Å; S88-D90 PolarHBondContact O-N 3.5Å; S88-D90 PolarHBondContact OG-OD1 3.37Å; D90-K125 IonicContact OD1-NZ 2.86Å; D90-K125 IonicContact OD2-NZ 3.69Å; D90-V128 HydrophobicContact CB-CG2 3.86Å; D90-Q132 PolarHBondContact O-NE2 2.96Å |
| 91 | D | 98.6 | Very high | 98.6 | Very high | 52 Ų | 52 | 26.4 Ų | 26.4 | 28% | 0.278 | 14% | 0.139 | S | C | . | . | trans | -138.4 | 97 | -179.7 | -178.5 | -10.6 | 0 | 0 | 0 | 110.9 | S88 Q93 S94 F95 | S88-D91 PolarHBondContact O-N 3.44Å; D91-Q93 VanDerWaalsContact C-N 3.28Å; D91-Q93 PolarHBondContact O-N 3.25Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.1Å; D91-Q93 PolarHBondContact OD1-N 3.13Å; D91-S94 PolarHBondContact O-N 2.57Å; D91-S94 PolarHBondContact O-OG 3.06Å; D91-S94 PolarHBondContact OD1-N 3.45Å; D91-F95 PolarHBondContact O-N 3.15Å | ||
| 92 | N | 98.5 | Very high | 98.7 | Very high | 57 Ų | 57 | 26.3 Ų | 26.3 | 31% | 0.305 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62 | -33.6 | 178.9 | -174.9 | 38.6 | 0 | 0 | 0 | 113 | S94 F95 L96 Q132 V133 | N92-S94 VanDerWaalsContact C-N 3.3Å; N92-S94 PolarHBondContact O-N 2.97Å; N92-F95 WeakPolarHBondContact O-CB 3.38Å; N92-F95 PolarHBondContact O-N 3.22Å; N92-L96 WeakPolarHBondContact O-CG 3.49Å; N92-L96 PolarHBondContact O-N 3.35Å; N92-Q132 HydrophobicContact CB-CB 4.04Å; N92-V133 HydrophobicContact CB-CG2 4.36Å |
| 93 | Q | 98.6 | Very high | 98.7 | Very high | 106 Ų | 106 | 33.2 Ų | 33.2 | 50% | 0.495 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -66.3 | -38.3 | -179.6 | -175.7 | 57.9 | 69.6 | 0 | 0 | 111 | D91 F95 L96 N97 | D91-Q93 VanDerWaalsContact C-N 3.28Å; D91-Q93 PolarHBondContact O-N 3.25Å; D91-Q93 WeakPolarHBondContact OD1-CB 3.1Å; D91-Q93 PolarHBondContact OD1-N 3.13Å; Q93-F95 VanDerWaalsContact C-N 3.26Å; Q93-F95 PolarHBondContact O-N 3.08Å; Q93-L96 PolarHBondContact O-N 3.31Å; Q93-N97 PolarHBondContact NE2-ND2 3.28Å; Q93-N97 PolarHBondContact NE2-OD1 3.33Å; Q93-N97 WeakPolarHBondContact O-CB 3.4Å; Q93-N97 PolarHBondContact O-N 2.88Å; Q93-N97 PolarHBondContact O-ND2 2.81Å |
| 94 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.8 | -34.5 | 175.7 | 77.9 | 0 | 0 | 0 | 0 | 112.8 | F87 S88 D91 N92 | F87-S94 WeakPolarHBondContact CB-OG 3.13Å; S88-S94 PolarHBondContact N-OG 3.12Å; D91-S94 PolarHBondContact O-N 2.57Å; D91-S94 PolarHBondContact O-OG 3.06Å; D91-S94 PolarHBondContact OD1-N 3.45Å; N92-S94 VanDerWaalsContact C-N 3.3Å; N92-S94 PolarHBondContact O-N 2.97Å |
| 95 | F | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.026 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.6 | -48.5 | 175.4 | 173.7 | -110.5 | 0 | 0 | 0 | 112 | F87 D91 N92 Q93 N97 L98 V133 E137 A138 W141 | F87-F95 HydrophobicContact CB-CB 4.39Å; F87-F95 HydrophobicContact CD1-CD2 4.12Å; F87-F95 HydrophobicContact CD2-CB 3.72Å; F87-F95 HydrophobicContact CD2-CD2 4.03Å; F87-F95 HydrophobicContact CD2-CG 4.31Å; F87-F95 AromaticContact CE1-CD2 3.98Å; F87-F95 HydrophobicContact CE1-CD2 3.98Å; F87-F95 HydrophobicContact CE1-CE2 4.49Å; F87-F95 HydrophobicContact CE2-CB 4.2Å; F87-F95 AromaticContact CE2-CD2 3.93Å; F87-F95 HydrophobicContact CE2-CD2 3.93Å; F87-F95 HydrophobicContact CE2-CG 4.38Å; F87-F95 HydrophobicContact CG-CB 4.12Å; F87-F95 HydrophobicContact CG-CD2 4.12Å; F87-F95 AromaticContact CZ-CD2 3.91Å; F87-F95 HydrophobicContact CZ-CD2 3.91Å; F87-F95 HydrophobicContact CZ-CE2 4.45Å; D91-F95 PolarHBondContact O-N 3.15Å; N92-F95 WeakPolarHBondContact O-CB 3.38Å; N92-F95 PolarHBondContact O-N 3.22Å; Q93-F95 VanDerWaalsContact C-N 3.26Å; Q93-F95 PolarHBondContact O-N 3.08Å; F95-N97 PolarHBondContact O-N 3.06Å; F95-N97 VanDerWaalsContact O-N 3.12Å; F95-L98 HydrophobicContact CD2-CD1 3.56Å; F95-L98 HydrophobicContact CD2-CG 4.48Å; F95-L98 HydrophobicContact CE2-CD1 3.84Å; F95-L98 VanDerWaalsContact O-CB 3.31Å; F95-L98 WeakPolarHBondContact O-CB 3.23Å; F95-L98 WeakPolarHBondContact O-CG 3.39Å; F95-L98 PolarHBondContact O-N 2.73Å; F95-V133 HydrophobicContact CB-CG1 4.34Å; F95-V133 HydrophobicContact CB-CG2 3.71Å; F95-V133 HydrophobicContact CD1-CG1 3.95Å; F95-V133 HydrophobicContact CD1-CG2 4.29Å; F95-V133 HydrophobicContact CD2-CG1 4.03Å; F95-V133 HydrophobicContact CE1-CG1 4.25Å; F95-V133 HydrophobicContact CE2-CG1 4.34Å; F95-V133 HydrophobicContact CG-CG1 3.84Å; F95-V133 HydrophobicContact CG-CG2 4.07Å; F95-V133 HydrophobicContact CZ-CG1 4.43Å; F95-E137 HydrophobicContact CE1-CG 3.68Å; F95-E137 HydrophobicContact CZ-CG 3.97Å; F95-A138 HydrophobicContact CE2-CB 4.04Å; F95-W141 HydrophobicContact CE2-CB 4.03Å; F95-W141 HydrophobicContact CE2-CG 4.22Å; F95-W141 HydrophobicContact CZ-CB 3.68Å; F95-W141 HydrophobicContact CZ-CG 4.05Å |
| 96 | L | 98.6 | Very high | 98.6 | Very high | 91 Ų | 91 | 35.5 Ų | 35.5 | 48% | 0.476 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.7 | -28.6 | 176.5 | -65.4 | 177.6 | 0 | 0 | 0 | 112.5 | N92 Q93 L98 | N92-L96 WeakPolarHBondContact O-CG 3.49Å; N92-L96 PolarHBondContact O-N 3.35Å; Q93-L96 PolarHBondContact O-N 3.31Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.23Å |
| 97 | N | 98.8 | Very high | 98.6 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -9.5 | 178 | -78 | -26.6 | 0 | 0 | 0 | 114.7 | D15 Q93 F95 S99 N100 W101 | D15-N97 PolarHBondContact OD2-ND2 2.85Å; Q93-N97 PolarHBondContact NE2-ND2 3.28Å; Q93-N97 PolarHBondContact NE2-OD1 3.33Å; Q93-N97 WeakPolarHBondContact O-CB 3.4Å; Q93-N97 PolarHBondContact O-N 2.88Å; Q93-N97 PolarHBondContact O-ND2 2.81Å; F95-N97 PolarHBondContact O-N 3.06Å; F95-N97 VanDerWaalsContact O-N 3.12Å; N97-S99 VanDerWaalsContact C-N 3.26Å; N97-S99 PolarHBondContact O-N 3.28Å; N97-N100 WeakPolarHBondContact O-CA 3.39Å; N97-N100 WeakPolarHBondContact O-CB 3.32Å; N97-N100 PolarHBondContact O-N 3.35Å; N97-N100 PolarHBondContact OD1-ND2 3.38Å; N97-W101 PolarHBondContact O-N 3.16Å |
| 98 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.9 | -42.1 | 178.8 | -71.6 | 176.4 | 0 | 0 | 0 | 112.6 | L85 F87 F95 L96 N100 W101 K102 V121 W141 | L85-L98 HydrophobicContact CB-CD2 3.96Å; F87-L98 HydrophobicContact CB-CD2 4.16Å; F87-L98 HydrophobicContact CB-CG 4.38Å; F87-L98 HydrophobicContact CD1-CD1 3.77Å; F87-L98 HydrophobicContact CD1-CD2 4.24Å; F87-L98 HydrophobicContact CD1-CG 4.38Å; F87-L98 HydrophobicContact CE1-CD1 4.26Å; F87-L98 HydrophobicContact CG-CD1 4.37Å; F95-L98 HydrophobicContact CD2-CD1 3.56Å; F95-L98 HydrophobicContact CD2-CG 4.48Å; F95-L98 HydrophobicContact CE2-CD1 3.84Å; F95-L98 VanDerWaalsContact O-CB 3.31Å; F95-L98 WeakPolarHBondContact O-CB 3.23Å; F95-L98 WeakPolarHBondContact O-CG 3.39Å; F95-L98 PolarHBondContact O-N 2.73Å; L96-L98 VanDerWaalsContact C-N 3.32Å; L96-L98 PolarHBondContact O-N 3.23Å; L98-N100 VanDerWaalsContact C-N 3.26Å; L98-N100 PolarHBondContact O-N 2.68Å; L98-W101 PolarHBondContact O-N 2.8Å; L98-K102 WeakPolarHBondContact O-CB 3.44Å; L98-K102 PolarHBondContact O-N 3.23Å; L98-V121 HydrophobicContact CD1-CG1 4.08Å; L98-W141 HydrophobicContact CB-CH2 3.8Å; L98-W141 HydrophobicContact CB-CZ2 3.59Å; L98-W141 HydrophobicContact CB-CZ3 4.39Å; L98-W141 HydrophobicContact CD1-CD2 4.29Å; L98-W141 HydrophobicContact CD1-CE3 4.11Å; L98-W141 HydrophobicContact CD1-CH2 4.41Å; L98-W141 HydrophobicContact CD1-CZ3 4.18Å |
| 99 | S | 98.3 | Very high | 98.5 | Very high | 34 Ų | 34 | 49 Ų | 49 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -34.9 | 177 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | N97 K103 W141 | N97-S99 VanDerWaalsContact C-N 3.26Å; N97-S99 PolarHBondContact O-N 3.28Å; S99-K103 WeakPolarHBondContact O-CB 3.38Å; S99-K103 VanDerWaalsContact O-CG 3.24Å; S99-K103 WeakPolarHBondContact O-CG 3.38Å; S99-K103 PolarHBondContact O-N 3.14Å; S99-K103 VanDerWaalsContact O-N 3.13Å; S99-W141 PolarHBondContact OG-NE1 3.42Å |
| 100 | N | 98.4 | Very high | 98.4 | Very high | 86 Ų | 86 | 53.4 Ų | 53.4 | 46% | 0.46 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -72.4 | -42.3 | 177.4 | -64.6 | -30.1 | 0 | 0 | 0 | 110.8 | N97 L98 K103 E104 | N97-N100 WeakPolarHBondContact O-CA 3.39Å; N97-N100 WeakPolarHBondContact O-CB 3.32Å; N97-N100 PolarHBondContact O-N 3.35Å; N97-N100 PolarHBondContact OD1-ND2 3.38Å; L98-N100 VanDerWaalsContact C-N 3.26Å; L98-N100 PolarHBondContact O-N 2.68Å; N100-K103 PolarHBondContact O-N 3.16Å; N100-E104 VanDerWaalsContact O-CB 3.32Å; N100-E104 WeakPolarHBondContact O-CB 3.22Å; N100-E104 PolarHBondContact O-N 3.38Å |
| 101 | W | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 5% | 0.049 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 175.2 | -73.4 | 110.9 | 0 | 0 | 0 | 112.6 | L13 G14 D15 G65 R73 L85 N97 L98 E104 F105 | L13-W101 HydrophobicContact CB-CD2 4.48Å; L13-W101 HydrophobicContact CB-CE3 3.98Å; L13-W101 HydrophobicContact CD1-CE3 4.46Å; L13-W101 HydrophobicContact CD2-CZ3 4.46Å; G14-W101 VanDerWaalsContact C-CE2 3.4Å; G14-W101 VanDerWaalsContact C-CZ2 3.41Å; G14-W101 VanDerWaalsContact O-CZ2 3.23Å; G14-W101 WeakPolarHBondContact O-CZ2 3.26Å; D15-W101 PolarHBondContact OD1-NE1 3.27Å; G65-W101 WeakPolarHBondContact O-CZ2 3.36Å; R73-W101 VanDerWaalsContact NE-CZ3 3.28Å; L85-W101 HydrophobicContact CD2-CB 3.92Å; N97-W101 PolarHBondContact O-N 3.16Å; L98-W101 PolarHBondContact O-N 2.8Å; W101-E104 PolarHBondContact O-N 2.96Å; W101-F105 WeakPolarHBondContact O-CB 3.37Å; W101-F105 PolarHBondContact O-N 3.25Å |
| 102 | K | 98.6 | Very high | 97.8 | Very high | 28 Ų | 28 | 59 Ų | 59 | 12% | 0.122 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58 | -50.5 | 174.4 | -178.9 | -176.9 | 168.6 | -175.2 | 0 | 111.2 | L85 L98 E104 F105 I106 F119 N145 Y148 | L85-K102 HydrophobicContact CD1-CB 4.04Å; L98-K102 WeakPolarHBondContact O-CB 3.44Å; L98-K102 PolarHBondContact O-N 3.23Å; K102-E104 PolarHBondContact O-N 3.4Å; K102-F105 PolarHBondContact O-N 3.16Å; K102-I106 HydrophobicContact CD-CD1 4.46Å; K102-I106 HydrophobicContact CG-CD1 3.79Å; K102-I106 VanDerWaalsContact O-CG1 3.31Å; K102-I106 WeakPolarHBondContact O-CG1 3.23Å; K102-I106 PolarHBondContact O-N 3.29Å; K102-F119 HydrophobicContact CG-CE1 4.35Å; K102-F119 HydrophobicContact CG-CZ 4.2Å; K102-N145 PolarHBondContact NZ-O 3.32Å; K102-Y148 HydrophobicContact CD-CE2 4.19Å; K102-Y148 WeakPolarHBondContact CE-OH 3.45Å; K102-Y148 PolarHBondContact NZ-OH 2.81Å |
| 103 | K | 98.3 | Very high | 97.5 | Very high | 144 Ų | 144 | 61.4 Ų | 61.4 | 63% | 0.626 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 178.7 | -74 | 172.8 | -174.7 | 176 | 0 | 112.2 | S99 N100 I106 Y107 | S99-K103 WeakPolarHBondContact O-CB 3.38Å; S99-K103 VanDerWaalsContact O-CG 3.24Å; S99-K103 WeakPolarHBondContact O-CG 3.38Å; S99-K103 PolarHBondContact O-N 3.14Å; S99-K103 VanDerWaalsContact O-N 3.13Å; N100-K103 PolarHBondContact O-N 3.16Å; K103-I106 PolarHBondContact O-N 3.2Å; K103-Y107 WeakPolarHBondContact O-CB 3.18Å; K103-Y107 PolarHBondContact O-N 2.91Å; K103-Y107 VanDerWaalsContact O-N 3.11Å |
| 104 | E | 98.4 | Very high | 97.2 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.056 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 176.9 | -173.3 | -173.8 | 116.1 | 0 | 0 | 111 | R70 R73 T74 Y77 N100 W101 K102 Y107 Y108 | R70-E104 IonicContact CZ-OE2 3.57Å; R70-E104 IonicContact NE-OE2 2.77Å; R70-E104 PolarHBondContact NE-OE2 3.28Å; R70-E104 IonicContact NH2-OE2 3.39Å; R70-E104 PolarHBondContact NH2-OE2 2.88Å; R73-E104 IonicContact CZ-OE1 3.89Å; R73-E104 IonicContact CZ-OE2 2.77Å; R73-E104 IonicContact NE-OE1 3.91Å; R73-E104 PolarHBondContact NE-OE1 3.22Å; R73-E104 IonicContact NH2-OE1 2.91Å; R73-E104 PolarHBondContact NH2-OE1 2.85Å; R73-E104 IonicContact NH2-OE2 3.87Å; R73-E104 PolarHBondContact NH2-OE2 3.4Å; T74-E104 HydrophobicContact CG2-CG 4.43Å; Y77-E104 HydrophobicContact CE2-CG 4.05Å; Y77-E104 PolarHBondContact OH-OE1 2.87Å; N100-E104 VanDerWaalsContact O-CB 3.32Å; N100-E104 WeakPolarHBondContact O-CB 3.22Å; N100-E104 PolarHBondContact O-N 3.38Å; W101-E104 PolarHBondContact O-N 2.96Å; K102-E104 PolarHBondContact O-N 3.4Å; E104-Y107 PolarHBondContact O-N 3.36Å; E104-Y108 HydrophobicContact CG-CD2 3.65Å; E104-Y108 HydrophobicContact CG-CE2 3.86Å; E104-Y108 WeakPolarHBondContact O-CD2 3.38Å; E104-Y108 PolarHBondContact O-N 3.01Å |
| 105 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.4 | -53.2 | 178.2 | 178 | -98.9 | 0 | 0 | 0 | 111.7 | I11 L13 Y77 C83 W101 K102 Y107 Y108 A109 V111 F117 F119 | I11-F105 HydrophobicContact CG2-CD2 4.28Å; I11-F105 HydrophobicContact CG2-CE2 3.76Å; L13-F105 HydrophobicContact CD1-CB 3.62Å; L13-F105 HydrophobicContact CD1-CD2 3.76Å; L13-F105 HydrophobicContact CD1-CG 4.02Å; Y77-F105 HydrophobicContact CD2-CB 4.49Å; Y77-F105 AromaticContact CD2-CD2 3.99Å; Y77-F105 HydrophobicContact CD2-CD2 3.99Å; Y77-F105 HydrophobicContact CG-CD2 4.11Å; C83-F105 HydrophobicContact CB-CD1 4.24Å; C83-F105 HydrophobicContact CB-CD2 4.37Å; C83-F105 HydrophobicContact CB-CE1 4.04Å; C83-F105 HydrophobicContact CB-CE2 4.18Å; C83-F105 HydrophobicContact CB-CG 4.39Å; C83-F105 HydrophobicContact CB-CZ 4Å; W101-F105 WeakPolarHBondContact O-CB 3.37Å; W101-F105 PolarHBondContact O-N 3.25Å; K102-F105 PolarHBondContact O-N 3.16Å; F105-Y107 PolarHBondContact O-N 3.29Å; F105-Y108 PolarHBondContact O-N 3.07Å; F105-A109 HydrophobicContact CD1-CB 4.42Å; F105-A109 HydrophobicContact CD2-CB 4.13Å; F105-A109 HydrophobicContact CE1-CB 4.05Å; F105-A109 HydrophobicContact CE2-CB 3.75Å; F105-A109 HydrophobicContact CG-CB 4.47Å; F105-A109 HydrophobicContact CZ-CB 3.7Å; F105-A109 WeakPolarHBondContact O-CB 3.27Å; F105-A109 PolarHBondContact O-N 2.9Å; F105-V111 HydrophobicContact CD1-CG2 4.33Å; F105-V111 HydrophobicContact CE1-CG2 3.79Å; F105-V111 HydrophobicContact CZ-CG2 4.47Å; F105-F117 HydrophobicContact CD1-CE1 4.33Å; F105-F117 AromaticContact CE1-CD1 3.66Å; F105-F117 HydrophobicContact CE1-CD1 3.66Å; F105-F117 HydrophobicContact CE1-CD2 4.34Å; F105-F117 AromaticContact CE1-CE1 3.25Å; F105-F117 HydrophobicContact CE1-CE1 3.25Å; F105-F117 AromaticContact CE1-CE2 3.98Å; F105-F117 HydrophobicContact CE1-CE2 3.98Å; F105-F117 HydrophobicContact CE1-CG 4.2Å; 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 4.36Å; F105-F117 AromaticContact CZ-CE1 3.53Å; F105-F117 HydrophobicContact CZ-CE1 3.53Å; F105-F117 AromaticContact CZ-CE2 3.97Å; F105-F117 HydrophobicContact CZ-CE2 3.97Å; F105-F117 AromaticContact CZ-CZ 3.3Å; F105-F117 HydrophobicContact CZ-CZ 3.3Å; F105-F119 AromaticContact CD1-CE1 3.51Å; F105-F119 HydrophobicContact CD1-CE1 3.51Å; F105-F119 AromaticContact CD1-CZ 3.58Å; F105-F119 HydrophobicContact CD1-CZ 3.58Å; F105-F119 HydrophobicContact CE1-CE1 4.02Å; F105-F119 AromaticContact CE1-CZ 3.98Å; F105-F119 HydrophobicContact CE1-CZ 3.98Å; F105-F119 HydrophobicContact CG-CE1 4.27Å |
| 106 | I | 98.4 | Very high | 96.4 | Very high | 37 Ų | 37 | 69.7 Ų | 69.7 | 19% | 0.19 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -53.7 | -44.9 | -179.3 | -70.9 | 163.6 | 0 | 0 | 0 | 110.9 | K102 K103 D110 V111 P114 F119 | K102-I106 HydrophobicContact CD-CD1 4.46Å; K102-I106 HydrophobicContact CG-CD1 3.79Å; K102-I106 VanDerWaalsContact O-CG1 3.31Å; K102-I106 WeakPolarHBondContact O-CG1 3.23Å; K102-I106 PolarHBondContact O-N 3.29Å; K103-I106 PolarHBondContact O-N 3.2Å; I106-D110 PolarHBondContact O-N 3.47Å; I106-V111 HydrophobicContact CG2-CB 4.48Å; I106-V111 PolarHBondContact O-N 2.8Å; I106-P114 HydrophobicContact CD1-CB 3.85Å; I106-P114 HydrophobicContact CG1-CB 4.1Å; I106-P114 HydrophobicContact CG2-CB 4.11Å; I106-P114 HydrophobicContact CG2-CG 3.7Å; I106-F119 HydrophobicContact CD1-CZ 4.39Å; I106-F119 HydrophobicContact CG1-CZ 4.02Å |
| 107 | Y | 98.1 | Very high | 96.4 | Very high | 174 Ų | 174 | 66.7 Ų | 66.7 | 68% | 0.682 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66 | -53.3 | -179.2 | -179.6 | -97.9 | 0 | 0 | 0 | 112.8 | K103 E104 F105 D110 | K103-Y107 WeakPolarHBondContact O-CB 3.18Å; K103-Y107 PolarHBondContact O-N 2.91Å; K103-Y107 VanDerWaalsContact O-N 3.11Å; E104-Y107 PolarHBondContact O-N 3.36Å; F105-Y107 PolarHBondContact O-N 3.29Å; Y107-D110 PolarHBondContact O-N 3.02Å |
| 108 | Y | 98.1 | Very high | 96.3 | Very high | 99 Ų | 99 | 65.6 Ų | 65.6 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -82.6 | -23.8 | -173.5 | -72.7 | -72.9 | 0 | 0 | 0 | 114 | T74 E104 F105 | T74-Y108 HydrophobicContact CG2-CD1 4.19Å; T74-Y108 HydrophobicContact CG2-CD2 3.46Å; T74-Y108 VanDerWaalsContact CG2-CD2 3.46Å; T74-Y108 HydrophobicContact CG2-CE1 4.38Å; T74-Y108 HydrophobicContact CG2-CE2 3.7Å; T74-Y108 HydrophobicContact CG2-CG 3.74Å; E104-Y108 HydrophobicContact CG-CD2 3.65Å; E104-Y108 HydrophobicContact CG-CE2 3.86Å; E104-Y108 WeakPolarHBondContact O-CD2 3.38Å; E104-Y108 PolarHBondContact O-N 3.01Å; F105-Y108 PolarHBondContact O-N 3.07Å |
| 109 | A | 97.8 | Very high | 96.3 | Very high | 10 Ų | 10 | 65.7 Ų | 65.7 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -76.4 | -13 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F105 V111 | F105-A109 HydrophobicContact CD1-CB 4.42Å; F105-A109 HydrophobicContact CD2-CB 4.13Å; F105-A109 HydrophobicContact CE1-CB 4.05Å; F105-A109 HydrophobicContact CE2-CB 3.75Å; F105-A109 HydrophobicContact CG-CB 4.47Å; F105-A109 HydrophobicContact CZ-CB 3.7Å; F105-A109 WeakPolarHBondContact O-CB 3.27Å; F105-A109 PolarHBondContact O-N 2.9Å; A109-V111 HydrophobicContact CB-CG2 3.73Å |
| 110 | D | 96.8 | Very high | 96.3 | Very high | 92 Ų | 92 | 64 Ų | 64 | 49% | 0.492 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 48.8 | -176 | -175.2 | 38.5 | 0 | 0 | 0 | 111.2 | R78 I106 Y107 K112 | R78-D110 IonicContact CZ-OD2 3.16Å; R78-D110 IonicContact NH1-OD2 2.59Å; R78-D110 PolarHBondContact NH1-OD2 3.47Å; R78-D110 IonicContact NH2-OD2 3.79Å; I106-D110 PolarHBondContact O-N 3.47Å; Y107-D110 PolarHBondContact O-N 3.02Å; D110-K112 PolarHBondContact O-N 3.39Å |
| 111 | V | 94.5 | Very high | 96.4 | Very high | 26 Ų | 26 | 60 Ų | 60 | 16% | 0.158 | 28% | 0.278 | C | S | . | . | trans | -74.5 | 112.1 | -178.4 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | F105 I106 A109 P114 F117 | F105-V111 HydrophobicContact CD1-CG2 4.33Å; F105-V111 HydrophobicContact CE1-CG2 3.79Å; F105-V111 HydrophobicContact CZ-CG2 4.47Å; I106-V111 HydrophobicContact CG2-CB 4.48Å; I106-V111 PolarHBondContact O-N 2.8Å; A109-V111 HydrophobicContact CB-CG2 3.73Å; V111-P114 HydrophobicContact CG1-CG 4.4Å; V111-F117 HydrophobicContact CG1-CB 3.73Å; V111-F117 HydrophobicContact CG1-CD2 3.81Å; V111-F117 HydrophobicContact CG1-CG 4Å; V111-F117 HydrophobicContact CG2-CD2 4.04Å; V111-F117 HydrophobicContact CG2-CE2 4.41Å; V111-F117 HydrophobicContact CG2-CG 4.4Å | ||
| 112 | K | 90.3 | Very high | 96.4 | Very high | 190 Ų | 190 | 59.3 Ų | 59.3 | 83% | 0.826 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -68 | -37.2 | -178.5 | -62.6 | -176.3 | -178.3 | 178 | 0 | 113.5 | D110 P114 | D110-K112 PolarHBondContact O-N 3.39Å; K112-P114 WeakPolarHBondContact O-CD 3.48Å |
| 113 | E | 91.8 | Very high | 96.4 | Very high | 107 Ų | 107 | 58 Ų | 58 | 50% | 0.5 | 27% | 0.27 | S | S | . | . | trans | -125.5 | 78.5 | -177.8 | -67 | 177.7 | -123.3 | 0 | 0 | 110.1 | E115 N116 F117 | E113-E115 PolarHBondContact O-N 2.91Å; E113-N116 HydrophobicContact CB-CB 4.16Å; E113-N116 PolarHBondContact O-N 3.29Å; E113-N116 PolarHBondContact OE2-ND2 2.86Å; E113-F117 PolarHBondContact O-N 3.46Å | ||
| 114 | P | 91.6 | Very high | 96.4 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 24% | 0.24 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -59.1 | -32.2 | -174.2 | -26.3 | 36.2 | 0 | 0 | 0 | 114.3 | I106 V111 K112 N116 F117 | I106-P114 HydrophobicContact CD1-CB 3.85Å; I106-P114 HydrophobicContact CG1-CB 4.1Å; I106-P114 HydrophobicContact CG2-CB 4.11Å; I106-P114 HydrophobicContact CG2-CG 3.7Å; V111-P114 HydrophobicContact CG1-CG 4.4Å; K112-P114 WeakPolarHBondContact O-CD 3.48Å; P114-N116 PolarHBondContact O-N 3.45Å; P114-F117 PolarHBondContact O-N 2.94Å |
| 115 | E | 90.8 | Very high | 96.4 | Very high | 149 Ų | 149 | 53.5 Ų | 53.5 | 70% | 0.696 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -69.5 | -23.3 | 179.3 | -51.2 | -56.2 | 164.3 | 0 | 0 | 112.9 | E113 | E113-E115 PolarHBondContact O-N 2.91Š|
| 116 | N | 91.5 | Very high | 96.4 | Very high | 101 Ų | 101 | 55.2 Ų | 55.2 | 54% | 0.54 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -99.5 | -7 | 179.5 | -70.1 | -30.4 | 0 | 0 | 0 | 112.6 | E113 P114 | E113-N116 HydrophobicContact CB-CB 4.16Å; E113-N116 PolarHBondContact O-N 3.29Å; E113-N116 PolarHBondContact OE2-ND2 2.86Å; P114-N116 PolarHBondContact O-N 3.45Å |
| 117 | F | 97.4 | Very high | 96.4 | Very high | 28 Ų | 28 | 55.8 Ų | 55.8 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -73.4 | 132.2 | -177.4 | -172.2 | -85.4 | 0 | 0 | 0 | 111.4 | S80 C83 F105 V111 E113 P114 F119 | S80-F117 VanDerWaalsContact O-CE2 3.24Å; S80-F117 WeakPolarHBondContact O-CE2 3.38Å; S80-F117 WeakPolarHBondContact O-CZ 3.31Å; C83-F117 HydrophobicContact CB-CE1 3.76Å; F105-F117 HydrophobicContact CD1-CE1 4.33Å; F105-F117 AromaticContact CE1-CD1 3.66Å; F105-F117 HydrophobicContact CE1-CD1 3.66Å; F105-F117 HydrophobicContact CE1-CD2 4.34Å; F105-F117 AromaticContact CE1-CE1 3.25Å; F105-F117 HydrophobicContact CE1-CE1 3.25Å; F105-F117 AromaticContact CE1-CE2 3.98Å; F105-F117 HydrophobicContact CE1-CE2 3.98Å; F105-F117 HydrophobicContact CE1-CG 4.2Å; 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 4.36Å; F105-F117 AromaticContact CZ-CE1 3.53Å; F105-F117 HydrophobicContact CZ-CE1 3.53Å; F105-F117 AromaticContact CZ-CE2 3.97Å; F105-F117 HydrophobicContact CZ-CE2 3.97Å; F105-F117 AromaticContact CZ-CZ 3.3Å; F105-F117 HydrophobicContact CZ-CZ 3.3Å; V111-F117 HydrophobicContact CG1-CB 3.73Å; V111-F117 HydrophobicContact CG1-CD2 3.81Å; V111-F117 HydrophobicContact CG1-CG 4Å; V111-F117 HydrophobicContact CG2-CD2 4.04Å; V111-F117 HydrophobicContact CG2-CE2 4.41Å; V111-F117 HydrophobicContact CG2-CG 4.4Å; E113-F117 PolarHBondContact O-N 3.46Å; P114-F117 PolarHBondContact O-N 2.94Å; F117-F119 HydrophobicContact CB-CD2 4.45Å; F117-F119 HydrophobicContact CB-CE2 3.92Å; F117-F119 HydrophobicContact CD1-CD1 4.38Å; F117-F119 AromaticContact CD1-CD2 3.89Å; F117-F119 HydrophobicContact CD1-CD2 3.89Å; F117-F119 HydrophobicContact CD1-CE1 4.1Å; F117-F119 AromaticContact CD1-CE2 3.57Å; F117-F119 HydrophobicContact CD1-CE2 3.57Å; F117-F119 HydrophobicContact CD1-CG 4.29Å; F117-F119 AromaticContact CD1-CZ 3.69Å; F117-F119 HydrophobicContact CD1-CZ 3.69Å; F117-F119 HydrophobicContact CE1-CE1 4.41Å; F117-F119 HydrophobicContact CE1-CZ 4.39Å; F117-F119 HydrophobicContact CG-CE2 4.15Å; F117-F119 HydrophobicContact CG-CZ 4.43Å; F117-F119 VanDerWaalsContact O-CD2 3.27Å; F117-F119 WeakPolarHBondContact O-CD2 3.49Å; F117-F119 PolarHBondContact O-N 3.04Å |
| 118 | P | 97.9 | Very high | 96.3 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | trans | -67.3 | 103.7 | 179.4 | -24 | 36.5 | 0 | 0 | 0 | 113.4 | D81 C82 C83 R171 A175 | D81-P118 WeakPolarHBondContact O-CG 3.23Å; C82-P118 WeakPolarHBondContact CA-O 3.25Å; C82-P118 HydrophobicContact CB-CB 4.07Å; C82-P118 PolarHBondContact SG-O 3.32Å; C83-P118 PolarHBondContact N-O 3.29Å; P118-R171 HydrophobicContact CB-CB 3.95Å; P118-R171 HydrophobicContact CG-CB 4.49Å; P118-A175 HydrophobicContact CG-CB 3.59Å | ||
| 119 | F | 98.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 144.8 | 164.7 | -64.5 | -84.8 | 0 | 0 | 0 | 110.9 | C83 L85 K102 F105 I106 F117 Y148 | C83-F119 HydrophobicContact CB-CD1 3.65Å; C83-F119 HydrophobicContact CB-CE1 3.75Å; C83-F119 WeakPolarHBondContact O-CA 3.1Å; L85-F119 HydrophobicContact CD1-CD1 3.81Å; L85-F119 HydrophobicContact CD1-CE1 4.41Å; L85-F119 HydrophobicContact CD1-CG 4.45Å; L85-F119 HydrophobicContact CG-CD1 4.01Å; K102-F119 HydrophobicContact CG-CE1 4.35Å; K102-F119 HydrophobicContact CG-CZ 4.2Å; F105-F119 AromaticContact CD1-CE1 3.51Å; F105-F119 HydrophobicContact CD1-CE1 3.51Å; F105-F119 AromaticContact CD1-CZ 3.58Å; F105-F119 HydrophobicContact CD1-CZ 3.58Å; F105-F119 HydrophobicContact CE1-CE1 4.02Å; F105-F119 AromaticContact CE1-CZ 3.98Å; F105-F119 HydrophobicContact CE1-CZ 3.98Å; F105-F119 HydrophobicContact CG-CE1 4.27Å; I106-F119 HydrophobicContact CD1-CZ 4.39Å; I106-F119 HydrophobicContact CG1-CZ 4.02Å; F117-F119 HydrophobicContact CB-CD2 4.45Å; F117-F119 HydrophobicContact CB-CE2 3.92Å; F117-F119 HydrophobicContact CD1-CD1 4.38Å; F117-F119 AromaticContact CD1-CD2 3.89Å; F117-F119 HydrophobicContact CD1-CD2 3.89Å; F117-F119 HydrophobicContact CD1-CE1 4.1Å; F117-F119 AromaticContact CD1-CE2 3.57Å; F117-F119 HydrophobicContact CD1-CE2 3.57Å; F117-F119 HydrophobicContact CD1-CG 4.29Å; F117-F119 AromaticContact CD1-CZ 3.69Å; F117-F119 HydrophobicContact CD1-CZ 3.69Å; F117-F119 HydrophobicContact CE1-CE1 4.41Å; F117-F119 HydrophobicContact CE1-CZ 4.39Å; F117-F119 HydrophobicContact CG-CE2 4.15Å; F117-F119 HydrophobicContact CG-CZ 4.43Å; F117-F119 VanDerWaalsContact O-CD2 3.27Å; F117-F119 WeakPolarHBondContact O-CD2 3.49Å; F117-F119 PolarHBondContact O-N 3.04Å; F119-Y148 HydrophobicContact CB-CD1 3.77Å; F119-Y148 HydrophobicContact CB-CD2 4.31Å; F119-Y148 HydrophobicContact CB-CE1 3.84Å; F119-Y148 HydrophobicContact CB-CE2 4.34Å; F119-Y148 HydrophobicContact CB-CG 4.03Å; F119-Y148 AromaticContact CD2-CE1 3.81Å; F119-Y148 HydrophobicContact CD2-CE1 3.81Å; F119-Y148 AromaticContact CD2-CZ 3.78Å; F119-Y148 HydrophobicContact CG-CE1 4.24Å |
| 120 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 138.1 | 167.8 | 176 | 0 | 0 | 0 | 0 | 107.7 | C83 L84 L85 L122 P149 F151 E167 A168 | C83-V120 PolarHBondContact O-N 3.04Å; L84-V120 CarbonylContact C-O 3.32Å; L84-V120 WeakPolarHBondContact CA-O 3.22Å; L84-V120 HydrophobicContact CD2-CB 3.65Å; L84-V120 HydrophobicContact CD2-CG1 4.16Å; L84-V120 HydrophobicContact CD2-CG2 4.28Å; L85-V120 PolarHBondContact N-O 2.93Å; V120-L122 HydrophobicContact CG1-CD2 3.97Å; V120-P149 HydrophobicContact CG1-CB 4.49Å; V120-P149 HydrophobicContact CG2-CG 4.47Å; V120-F151 HydrophobicContact CG1-CD2 3.71Å; V120-F151 HydrophobicContact CG1-CE2 3.88Å; V120-E167 HydrophobicContact CG2-CG 4.36Å; V120-A168 HydrophobicContact CG2-CB 4.25Å |
| 121 | V | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 130 | -176.6 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | L85 F87 L98 W141 Y148 P149 Y150 F151 | L85-V121 CarbonylContact O-C 3.54Å; L85-V121 WeakPolarHBondContact O-CA 3.38Å; F87-V121 HydrophobicContact CD1-CG1 4.23Å; F87-V121 HydrophobicContact CE1-CG1 4.01Å; L98-V121 HydrophobicContact CD1-CG1 4.08Å; V121-W141 HydrophobicContact CG2-CE3 4.42Å; V121-W141 HydrophobicContact CG2-CZ3 3.8Å; V121-Y148 HydrophobicContact CG2-CD2 4.3Å; V121-P149 PolarHBondContact N-O 3.4Å; V121-Y150 HydrophobicContact CB-CD2 4.15Å; V121-Y150 HydrophobicContact CG1-CD2 3.94Å; V121-Y150 HydrophobicContact CG1-CE2 4.44Å; V121-Y150 WeakPolarHBondContact O-CA 3.49Å; V121-F151 PolarHBondContact O-N 3.1Å |
| 122 | L | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 118 | -179.5 | -49.9 | -175.2 | 0 | 0 | 0 | 110.4 | I23 L84 L85 T86 F87 V120 F151 T153 A164 | I23-L122 HydrophobicContact CD1-CD1 4.08Å; I23-L122 HydrophobicContact CG2-CD1 4.4Å; L84-L122 HydrophobicContact CB-CD1 4.17Å; L84-L122 HydrophobicContact CD1-CD1 4.22Å; L85-L122 PolarHBondContact O-N 3.29Å; T86-L122 WeakPolarHBondContact CA-O 3.32Å; T86-L122 HydrophobicContact CG2-CB 4.19Å; F87-L122 VanDerWaalsContact CD1-O 3.23Å; F87-L122 WeakPolarHBondContact CD1-O 3.45Å; F87-L122 PolarHBondContact N-O 3.31Å; V120-L122 HydrophobicContact CG1-CD2 3.97Å; L122-F151 WeakPolarHBondContact CA-O 3.05Å; L122-F151 HydrophobicContact CD2-CB 4.12Å; L122-F151 HydrophobicContact CD2-CD2 4.41Å; L122-T153 HydrophobicContact CD2-CG2 4.31Å; L122-A164 HydrophobicContact CD2-CB 3.59Å |
| 123 | G | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 92.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | F87 F151 E152 T153 | F87-G123 VanDerWaalsContact CE1-CA 3.45Å; F87-G123 VanDerWaalsContact CZ-CA 3.48Å; G123-F151 PolarHBondContact N-O 3.11Å; G123-E152 CarbonylContact O-C 3.54Å; G123-E152 WeakPolarHBondContact O-CA 2.96Å; G123-T153 PolarHBondContact O-N 2.78Å |
| 124 | N | 98.9 | Very high | 97 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 166.4 | -174.1 | -171.7 | 38.5 | 0 | 0 | 0 | 112.6 | V18 I23 T86 F87 V89 T153 A155 | V18-N124 PolarHBondContact O-ND2 2.78Å; I23-N124 HydrophobicContact CD1-CB 3.9Å; T86-N124 HydrophobicContact CG2-CB 4.31Å; F87-N124 PolarHBondContact O-N 3.49Å; V89-N124 WeakPolarHBondContact CG2-O 3.2Å; V89-N124 PolarHBondContact N-O 2.83Å; N124-T153 CarbonylContact C-O 3.51Å; N124-T153 VanDerWaalsContact CA-O 3.28Å; N124-T153 WeakPolarHBondContact CA-O 3.48Å; N124-T153 WeakPolarHBondContact CA-OG1 3.24Å; N124-T153 PolarHBondContact OD1-O 3.45Å; N124-T153 PolarHBondContact OD1-OG1 2.88Å; N124-A155 PolarHBondContact OD1-N 3.23Å |
| 125 | K | 98.4 | Very high | 97.3 | Very high | 57 Ų | 57 | 50.6 Ų | 50.6 | 25% | 0.248 | 26% | 0.26 | C | S | . | . | trans | 66.7 | 36.9 | -177.8 | -47.4 | -169.4 | -158.7 | 152.4 | 0 | 113.3 | G17 S88 V89 D90 D127 V128 T153 | G17-K125 WeakPolarHBondContact O-CE 3.35Å; G17-K125 PolarHBondContact O-NZ 3.36Å; G17-K125 VanDerWaalsContact O-NZ 3.11Å; S88-K125 WeakPolarHBondContact OG-CD 3.29Å; S88-K125 WeakPolarHBondContact OG-CE 3.11Å; S88-K125 WeakPolarHBondContact OG-CG 3.28Å; S88-K125 PolarHBondContact OG-NZ 3.26Å; S88-K125 VanDerWaalsContact OG-NZ 3.1Å; V89-K125 VanDerWaalsContact CG2-O 3.29Å; V89-K125 WeakPolarHBondContact CG2-O 3.19Å; D90-K125 IonicContact OD1-NZ 2.86Å; D90-K125 IonicContact OD2-NZ 3.69Å; K125-D127 PolarHBondContact O-N 3.4Å; K125-V128 HydrophobicContact CB-CG1 4.05Å; K125-V128 WeakPolarHBondContact O-CG1 2.98Å; K125-V128 WeakPolarHBondContact O-CG2 3.3Å; K125-V128 PolarHBondContact O-N 3.06Å; K125-T153 PolarHBondContact N-O 3.34Å | ||
| 126 | V | 98.4 | Very high | 97.6 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 22% | 0.218 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -16.8 | 174.7 | 78.3 | 0 | 0 | 0 | 0 | 113.3 | V128 E152 T153 T159 | V126-V128 PolarHBondContact O-N 3.21Å; V126-E152 HydrophobicContact CB-CB 4.22Å; V126-E152 HydrophobicContact CG2-CB 3.86Å; V126-E152 WeakPolarHBondContact CG2-OE2 3.38Å; V126-T153 PolarHBondContact N-O 2.78Å; V126-T159 HydrophobicContact CG1-CG2 3.92Å |
| 127 | D | 97.9 | Very high | 98 | Very high | 50 Ų | 50 | 48.4 Ų | 48.4 | 27% | 0.267 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -7.8 | 175.2 | 65.8 | -83.7 | 0 | 0 | 0 | 114.7 | K125 S154 K156 | K125-D127 PolarHBondContact O-N 3.4Å; D127-S154 VanDerWaalsContact OD1-CB 3.3Å; D127-S154 WeakPolarHBondContact OD1-CB 3.47Å; D127-S154 PolarHBondContact OD1-OG 3.33Å; D127-K156 WeakPolarHBondContact OD2-CD 3.29Å; D127-K156 IonicContact OD2-NZ 3.38Å; D127-K156 PolarHBondContact OD2-NZ 2.66Å; D127-K156 VanDerWaalsContact OD2-NZ 3.11Å |
| 128 | V | 96 | Very high | 98 | Very high | 39 Ų | 39 | 47 Ų | 47 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | trans | -82.6 | 147.3 | 176.7 | -57.3 | 0 | 0 | 0 | 0 | 111.8 | V89 D90 K125 V126 R131 | V89-V128 HydrophobicContact CG2-CG2 3.75Å; D90-V128 HydrophobicContact CB-CG2 3.86Å; K125-V128 HydrophobicContact CB-CG1 4.05Å; K125-V128 WeakPolarHBondContact O-CG1 2.98Å; K125-V128 WeakPolarHBondContact O-CG2 3.3Å; K125-V128 PolarHBondContact O-N 3.06Å; V126-V128 PolarHBondContact O-N 3.21Å; V128-R131 HydrophobicContact CG2-CG 4.32Å | ||
| 129 | T | 94.3 | Very high | 98.1 | Very high | 136 Ų | 136 | 50.7 Ų | 50.7 | 83% | 0.834 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -84.5 | -36 | 178.2 | 50.4 | 0 | 0 | 0 | 0 | 112.9 | R131 | T129-R131 PolarHBondContact O-N 2.79Š|
| 130 | E | 95.7 | Very high | 98.1 | Very high | 165 Ų | 165 | 55.8 Ų | 55.8 | 77% | 0.771 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -93.3 | 80.4 | -175.4 | -66.1 | -175.6 | -178 | 0 | 0 | 110.6 | ||
| 131 | R | 97.8 | Very high | 98.1 | Very high | 79 Ų | 79 | 57.1 Ų | 57.1 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | trans | -80 | 142.9 | 177.1 | -61.4 | -176 | 60.2 | 141.1 | -1.5 | 111.3 | V89 V128 T129 V133 E152 | V89-R131 HydrophobicContact CB-CG 4.44Å; V89-R131 VanDerWaalsContact CG1-NH2 3.31Å; V89-R131 HydrophobicContact CG2-CG 4.03Å; V128-R131 HydrophobicContact CG2-CG 4.32Å; T129-R131 PolarHBondContact O-N 2.79Å; R131-V133 PolarHBondContact NE-O 2.86Å; R131-V133 PolarHBondContact NH2-O 3.03Å; R131-E152 IonicContact CZ-OE1 3.48Å; R131-E152 IonicContact CZ-OE2 3.64Å; R131-E152 IonicContact NH1-OE1 2.86Å; R131-E152 PolarHBondContact NH1-OE1 3.06Å; R131-E152 IonicContact NH1-OE2 3.03Å; R131-E152 PolarHBondContact NH1-OE2 3.27Å; R131-E152 IonicContact NH2-OE1 2.72Å; R131-E152 PolarHBondContact NH2-OE1 2.48Å; R131-E152 IonicContact NH2-OE2 3.65Å | ||
| 132 | Q | 98.5 | Very high | 98 | Very high | 116 Ų | 116 | 57.2 Ų | 57.2 | 54% | 0.542 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -107.1 | -17.3 | 172.5 | -59.2 | -175.4 | 12.3 | 0 | 0 | 112.7 | V89 D90 N92 | V89-Q132 PolarHBondContact O-N 2.99Å; D90-Q132 PolarHBondContact O-NE2 2.96Å; N92-Q132 HydrophobicContact CB-CB 4.04Å |
| 133 | V | 98.5 | Very high | 98 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -122 | 125.4 | 179.2 | -174 | 0 | 0 | 0 | 0 | 109.3 | F87 V89 N92 F95 R131 A138 | F87-V133 HydrophobicContact CE2-CB 4.03Å; F87-V133 HydrophobicContact CE2-CG1 3.85Å; F87-V133 HydrophobicContact CE2-CG2 4.25Å; F87-V133 HydrophobicContact CZ-CG1 4.3Å; V89-V133 PolarHBondContact O-N 2.97Å; V89-V133 VanDerWaalsContact O-N 3.12Å; N92-V133 HydrophobicContact CB-CG2 4.36Å; F95-V133 HydrophobicContact CB-CG1 4.34Å; F95-V133 HydrophobicContact CB-CG2 3.71Å; F95-V133 HydrophobicContact CD1-CG1 3.95Å; F95-V133 HydrophobicContact CD1-CG2 4.29Å; F95-V133 HydrophobicContact CD2-CG1 4.03Å; F95-V133 HydrophobicContact CE1-CG1 4.25Å; F95-V133 HydrophobicContact CE2-CG1 4.34Å; F95-V133 HydrophobicContact CG-CG1 3.84Å; F95-V133 HydrophobicContact CG-CG2 4.07Å; F95-V133 HydrophobicContact CZ-CG1 4.43Å; R131-V133 PolarHBondContact NE-O 2.86Å; R131-V133 PolarHBondContact NH2-O 3.03Å; V133-A138 HydrophobicContact CG1-CB 4.38Å |
| 134 | S | 98.4 | Very high | 97.9 | Very high | 49 Ų | 49 | 70.1 Ų | 70.1 | 34% | 0.343 | 35% | 0.348 | S | S | . | . | trans | -78.4 | 156.3 | 177.2 | 71.2 | 0 | 0 | 0 | 0 | 111.3 | E136 E137 A138 | S134-E136 VanDerWaalsContact C-N 3.26Å; S134-E136 PolarHBondContact O-N 2.86Å; S134-E137 PolarHBondContact O-N 3Å; S134-E137 WeakPolarHBondContact OG-CB 3.41Å; S134-E137 PolarHBondContact OG-N 2.61Å; S134-E137 VanDerWaalsContact OG-N 3.11Å; S134-A138 PolarHBondContact O-N 2.98Å | ||
| 135 | T | 98.3 | Very high | 97.8 | Very high | 39 Ų | 39 | 72.1 Ų | 72.1 | 24% | 0.239 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | A138 Q139 Y150 E152 | T135-A138 PolarHBondContact O-N 3.49Å; T135-Q139 HydrophobicContact CG2-CG 4.44Å; T135-Q139 WeakPolarHBondContact O-CB 3.49Å; T135-Q139 VanDerWaalsContact O-CG 3.25Å; T135-Q139 WeakPolarHBondContact O-CG 3.42Å; T135-Q139 PolarHBondContact O-N 2.98Å; T135-Y150 HydrophobicContact CG2-CE1 4.16Å; T135-E152 WeakPolarHBondContact CB-OE1 3.38Å; T135-E152 VanDerWaalsContact OG1-CD 3.32Å; T135-E152 PolarHBondContact OG1-OE1 3.42Å; T135-E152 PolarHBondContact OG1-OE2 2.91Å |
| 136 | E | 98.4 | Very high | 97.7 | Very high | 125 Ų | 125 | 71.1 Ų | 71.1 | 58% | 0.584 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.5 | -41.6 | -179.3 | -63.1 | 73 | -160.6 | 0 | 0 | 111.9 | S134 Q139 M140 | S134-E136 VanDerWaalsContact C-N 3.26Å; S134-E136 PolarHBondContact O-N 2.86Å; E136-Q139 PolarHBondContact O-N 3.24Å; E136-M140 WeakPolarHBondContact O-CB 3.39Å; E136-M140 PolarHBondContact O-N 2.95Å |
| 137 | E | 98.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 75.2 Ų | 75.2 | 37% | 0.369 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 177.1 | -177.9 | 179.3 | -164.8 | 0 | 0 | 111.2 | F95 S134 M140 W141 | F95-E137 HydrophobicContact CE1-CG 3.68Å; F95-E137 HydrophobicContact CZ-CG 3.97Å; S134-E137 PolarHBondContact O-N 3Å; S134-E137 WeakPolarHBondContact OG-CB 3.41Å; S134-E137 PolarHBondContact OG-N 2.61Å; S134-E137 VanDerWaalsContact OG-N 3.11Å; E137-M140 PolarHBondContact O-N 2.72Å; E137-W141 PolarHBondContact O-N 2.7Å |
| 138 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.5 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F87 F95 V133 S134 T135 W141 C142 Y150 | F87-A138 HydrophobicContact CE1-CB 4.32Å; F87-A138 HydrophobicContact CZ-CB 3.79Å; F95-A138 HydrophobicContact CE2-CB 4.04Å; V133-A138 HydrophobicContact CG1-CB 4.38Å; S134-A138 PolarHBondContact O-N 2.98Å; T135-A138 PolarHBondContact O-N 3.49Å; A138-W141 PolarHBondContact O-N 3.32Å; A138-C142 PolarHBondContact O-N 2.82Å; A138-C142 PolarHBondContact O-SG 2.99Å; A138-Y150 HydrophobicContact CB-CD1 4.39Å; A138-Y150 HydrophobicContact CB-CD2 4.42Å; A138-Y150 HydrophobicContact CB-CE1 3.77Å; A138-Y150 HydrophobicContact CB-CE2 3.82Å; A138-Y150 VanDerWaalsContact CB-CZ 3.45Å |
| 139 | Q | 98.6 | Very high | 97.7 | Very high | 86 Ų | 86 | 73 Ų | 73 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 175.9 | -76.1 | 174.8 | -11.4 | 0 | 0 | 112.1 | T135 E136 W141 C142 Q143 Y150 | T135-Q139 HydrophobicContact CG2-CG 4.44Å; T135-Q139 WeakPolarHBondContact O-CB 3.49Å; T135-Q139 VanDerWaalsContact O-CG 3.25Å; T135-Q139 WeakPolarHBondContact O-CG 3.42Å; T135-Q139 PolarHBondContact O-N 2.98Å; E136-Q139 PolarHBondContact O-N 3.24Å; Q139-W141 PolarHBondContact O-N 2.89Å; Q139-C142 WeakPolarHBondContact O-CB 3.03Å; Q139-C142 PolarHBondContact O-N 3.32Å; Q139-Q143 WeakPolarHBondContact O-CG 3.33Å; Q139-Q143 PolarHBondContact O-N 3.4Å; Q139-Y150 HydrophobicContact CG-CD1 3.68Å; Q139-Y150 HydrophobicContact CG-CE1 4.26Å |
| 140 | M | 98.7 | Very high | 97.9 | Very high | 109 Ų | 109 | 68.1 Ų | 68.1 | 54% | 0.537 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 177.2 | -173 | 178.4 | -60.2 | 0 | 0 | 111 | E136 E137 C142 Q143 E144 | E136-M140 WeakPolarHBondContact O-CB 3.39Å; E136-M140 PolarHBondContact O-N 2.95Å; E137-M140 PolarHBondContact O-N 2.72Å; M140-C142 VanDerWaalsContact C-N 3.3Å; M140-C142 PolarHBondContact O-N 3.11Å; M140-Q143 PolarHBondContact O-N 2.91Å; M140-E144 WeakPolarHBondContact O-CG 3.3Å; M140-E144 PolarHBondContact O-N 2.9Å |
| 141 | W | 98.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 62 Ų | 62 | 11% | 0.106 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 175 | -175.5 | 95 | 0 | 0 | 0 | 111.9 | L85 F95 L98 S99 V121 E137 A138 Q139 Q143 E144 N145 Y148 | L85-W141 HydrophobicContact CD1-CH2 4.23Å; F95-W141 HydrophobicContact CE2-CB 4.03Å; F95-W141 HydrophobicContact CE2-CG 4.22Å; F95-W141 HydrophobicContact CZ-CB 3.68Å; F95-W141 HydrophobicContact CZ-CG 4.05Å; L98-W141 HydrophobicContact CB-CH2 3.8Å; L98-W141 HydrophobicContact CB-CZ2 3.59Å; L98-W141 HydrophobicContact CB-CZ3 4.39Å; L98-W141 HydrophobicContact CD1-CD2 4.29Å; L98-W141 HydrophobicContact CD1-CE3 4.11Å; L98-W141 HydrophobicContact CD1-CH2 4.41Å; L98-W141 HydrophobicContact CD1-CZ3 4.18Å; S99-W141 PolarHBondContact OG-NE1 3.42Å; V121-W141 HydrophobicContact CG2-CE3 4.42Å; V121-W141 HydrophobicContact CG2-CZ3 3.8Å; E137-W141 PolarHBondContact O-N 2.7Å; A138-W141 PolarHBondContact O-N 3.32Å; Q139-W141 PolarHBondContact O-N 2.89Å; W141-Q143 PolarHBondContact O-N 3.32Å; W141-E144 PolarHBondContact O-N 3.01Å; W141-N145 HydrophobicContact CD2-CB 4.3Å; W141-N145 HydrophobicContact CE3-CB 4.36Å; W141-N145 HydrophobicContact CH2-CB 4.15Å; W141-N145 HydrophobicContact CZ2-CB 4.09Å; W141-N145 HydrophobicContact CZ3-CB 4.28Å; W141-N145 PolarHBondContact NE1-ND2 2.61Å; W141-N145 VanDerWaalsContact O-CB 3.27Å; W141-N145 WeakPolarHBondContact O-CB 3.18Å; W141-N145 PolarHBondContact O-N 3.4Å; W141-N145 PolarHBondContact O-ND2 3.11Å; W141-Y148 HydrophobicContact CZ3-CD2 4.19Å |
| 142 | C | 98.6 | Very high | 98.1 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 179.2 | -65.4 | 0 | 0 | 0 | 0 | 112.4 | A138 Q139 M140 D147 Y148 | A138-C142 PolarHBondContact O-N 2.82Å; A138-C142 PolarHBondContact O-SG 2.99Å; Q139-C142 WeakPolarHBondContact O-CB 3.03Å; Q139-C142 PolarHBondContact O-N 3.32Å; M140-C142 VanDerWaalsContact C-N 3.3Å; M140-C142 PolarHBondContact O-N 3.11Å; C142-D147 VanDerWaalsContact O-CA 3.32Å; C142-D147 WeakPolarHBondContact O-CA 3.26Å; C142-D147 PolarHBondContact O-N 2.59Å; C142-Y148 WeakPolarHBondContact CB-O 3.46Å; C142-Y148 PolarHBondContact O-N 2.92Å; C142-Y148 VanDerWaalsContact O-N 3.14Å |
| 143 | Q | 98.1 | Very high | 98.2 | Very high | 125 Ų | 125 | 54.3 Ų | 54.3 | 58% | 0.584 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.6 | -49.5 | 176.4 | -70.6 | 170.4 | 11.8 | 0 | 0 | 111.4 | Q139 M140 W141 N145 D147 | Q139-Q143 WeakPolarHBondContact O-CG 3.33Å; Q139-Q143 PolarHBondContact O-N 3.4Å; M140-Q143 PolarHBondContact O-N 2.91Å; W141-Q143 PolarHBondContact O-N 3.32Å; Q143-N145 VanDerWaalsContact C-N 3.3Å; Q143-N145 PolarHBondContact O-N 2.82Å; Q143-D147 PolarHBondContact O-N 3.45Å |
| 144 | E | 97.8 | Very high | 98.2 | Very high | 145 Ų | 145 | 54.2 Ų | 54.2 | 68% | 0.678 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -69.3 | -25.9 | -176.5 | -69.2 | -178.3 | 161.4 | 0 | 0 | 113.7 | M140 W141 | M140-E144 WeakPolarHBondContact O-CG 3.3Å; M140-E144 PolarHBondContact O-N 2.9Å; W141-E144 PolarHBondContact O-N 3.01Å |
| 145 | N | 96.7 | Very high | 98.2 | Very high | 46 Ų | 46 | 52 Ų | 52 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 8.5 | -172.5 | -72 | -91 | 0 | 0 | 0 | 114.3 | K102 W141 Q143 Y148 | K102-N145 PolarHBondContact NZ-O 3.32Å; W141-N145 HydrophobicContact CD2-CB 4.3Å; W141-N145 HydrophobicContact CE3-CB 4.36Å; W141-N145 HydrophobicContact CH2-CB 4.15Å; W141-N145 HydrophobicContact CZ2-CB 4.09Å; W141-N145 HydrophobicContact CZ3-CB 4.28Å; W141-N145 PolarHBondContact NE1-ND2 2.61Å; W141-N145 VanDerWaalsContact O-CB 3.27Å; W141-N145 WeakPolarHBondContact O-CB 3.18Å; W141-N145 PolarHBondContact O-N 3.4Å; W141-N145 PolarHBondContact O-ND2 3.11Å; Q143-N145 VanDerWaalsContact C-N 3.3Å; Q143-N145 PolarHBondContact O-N 2.82Å; N145-Y148 HydrophobicContact CB-CE2 4.23Å; N145-Y148 WeakPolarHBondContact O-CE2 3.47Å; N145-Y148 PolarHBondContact O-OH 2.94Å |
| 146 | G | 94.9 | Very high | 98.2 | Very high | 36 Ų | 36 | 55.7 Ų | 55.7 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 137.7 | 17.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y148 | G146-Y148 WeakPolarHBondContact O-CD1 3.23Å; G146-Y148 WeakPolarHBondContact O-CE1 3.34Å; G146-Y148 PolarHBondContact O-N 2.86Å |
| 147 | D | 97.3 | Very high | 98.1 | Very high | 122 Ų | 122 | 53.9 Ų | 53.9 | 65% | 0.652 | 27% | 0.269 | S | S | * | . | trans | 54.5 | 49.7 | -179.8 | -163.2 | 34.9 | 0 | 0 | 0 | 112.9 | C142 Q143 | C142-D147 VanDerWaalsContact O-CA 3.32Å; C142-D147 WeakPolarHBondContact O-CA 3.26Å; C142-D147 PolarHBondContact O-N 2.59Å; Q143-D147 PolarHBondContact O-N 3.45Å | ||
| 148 | Y | 98.1 | Very high | 98.1 | Very high | 18 Ų | 18 | 52 Ų | 52 | 7% | 0.071 | 27% | 0.266 | C | S | . | . | trans | -80.3 | 141.7 | -176.2 | -55.3 | -44.3 | 0 | 0 | 0 | 112.3 | K102 F119 V121 W141 C142 N145 G146 Y150 | K102-Y148 HydrophobicContact CD-CE2 4.19Å; K102-Y148 WeakPolarHBondContact CE-OH 3.45Å; K102-Y148 PolarHBondContact NZ-OH 2.81Å; F119-Y148 HydrophobicContact CB-CD1 3.77Å; F119-Y148 HydrophobicContact CB-CD2 4.31Å; F119-Y148 HydrophobicContact CB-CE1 3.84Å; F119-Y148 HydrophobicContact CB-CE2 4.34Å; F119-Y148 HydrophobicContact CB-CG 4.03Å; F119-Y148 AromaticContact CD2-CE1 3.81Å; F119-Y148 HydrophobicContact CD2-CE1 3.81Å; F119-Y148 AromaticContact CD2-CZ 3.78Å; F119-Y148 HydrophobicContact CG-CE1 4.24Å; V121-Y148 HydrophobicContact CG2-CD2 4.3Å; W141-Y148 HydrophobicContact CZ3-CD2 4.19Å; C142-Y148 WeakPolarHBondContact CB-O 3.46Å; C142-Y148 PolarHBondContact O-N 2.92Å; C142-Y148 VanDerWaalsContact O-N 3.14Å; N145-Y148 HydrophobicContact CB-CE2 4.23Å; N145-Y148 WeakPolarHBondContact O-CE2 3.47Å; N145-Y148 PolarHBondContact O-OH 2.94Å; G146-Y148 WeakPolarHBondContact O-CD1 3.23Å; G146-Y148 WeakPolarHBondContact O-CE1 3.34Å; G146-Y148 PolarHBondContact O-N 2.86Å; Y148-Y150 PolarHBondContact O-N 2.87Å | ||
| 149 | P | 98.5 | Very high | 98.1 | Very high | 25 Ų | 25 | 54.5 Ų | 54.5 | 16% | 0.162 | 28% | 0.282 | C | S | . | . | trans | -59.9 | 134.9 | 168.8 | -19 | 29.8 | 0 | 0 | 0 | 110.9 | V120 V121 F151 E167 | V120-P149 HydrophobicContact CG1-CB 4.49Å; V120-P149 HydrophobicContact CG2-CG 4.47Å; V121-P149 PolarHBondContact N-O 3.4Å; P149-F151 HydrophobicContact CB-CE2 3.85Å; P149-E167 HydrophobicContact CB-CG 3.97Å; P149-E167 HydrophobicContact CG-CG 3.93Å | ||
| 150 | Y | 98.8 | Very high | 98.1 | Very high | 34 Ų | 34 | 53.8 Ų | 53.8 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.4 | 178 | 174.7 | -122.4 | 0 | 0 | 0 | 110.7 | F87 V121 T135 A138 Q139 Y148 E152 | F87-Y150 AromaticContact CE1-CE2 3.68Å; F87-Y150 HydrophobicContact CE1-CE2 3.68Å; F87-Y150 AromaticContact CZ-CE2 3.84Å; F87-Y150 HydrophobicContact CZ-CE2 3.84Å; V121-Y150 HydrophobicContact CB-CD2 4.15Å; V121-Y150 HydrophobicContact CG1-CD2 3.94Å; V121-Y150 HydrophobicContact CG1-CE2 4.44Å; V121-Y150 WeakPolarHBondContact O-CA 3.49Å; T135-Y150 HydrophobicContact CG2-CE1 4.16Å; A138-Y150 HydrophobicContact CB-CD1 4.39Å; A138-Y150 HydrophobicContact CB-CD2 4.42Å; A138-Y150 HydrophobicContact CB-CE1 3.77Å; A138-Y150 HydrophobicContact CB-CE2 3.82Å; A138-Y150 VanDerWaalsContact CB-CZ 3.45Å; Q139-Y150 HydrophobicContact CG-CD1 3.68Å; Q139-Y150 HydrophobicContact CG-CE1 4.26Å; Y148-Y150 PolarHBondContact O-N 2.87Å; Y150-E152 HydrophobicContact CE1-CG 3.72Å; Y150-E152 WeakPolarHBondContact OH-CG 3.32Å; Y150-E152 PolarHBondContact OH-OE1 2.99Å |
| 151 | F | 98.9 | Very high | 98.1 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.8 | 174.7 | -63.1 | -86.3 | 0 | 0 | 0 | 110.8 | V120 V121 L122 G123 P149 T153 V163 A164 E167 | V120-F151 HydrophobicContact CG1-CD2 3.71Å; V120-F151 HydrophobicContact CG1-CE2 3.88Å; V121-F151 PolarHBondContact O-N 3.1Å; L122-F151 WeakPolarHBondContact CA-O 3.05Å; L122-F151 HydrophobicContact CD2-CB 4.12Å; L122-F151 HydrophobicContact CD2-CD2 4.41Å; G123-F151 PolarHBondContact N-O 3.11Å; P149-F151 HydrophobicContact CB-CE2 3.85Å; F151-T153 HydrophobicContact CB-CG2 4.01Å; F151-V163 HydrophobicContact CD1-CG1 4.31Å; F151-V163 HydrophobicContact CE1-CB 4.46Å; F151-V163 HydrophobicContact CE1-CG1 3.64Å; F151-V163 HydrophobicContact CZ-CG1 4.3Å; F151-A164 HydrophobicContact CB-CB 4.13Å; F151-A164 HydrophobicContact CD2-CB 3.95Å; F151-A164 HydrophobicContact CG-CB 3.98Å; F151-E167 HydrophobicContact CE2-CB 3.81Å; F151-E167 HydrophobicContact CE2-CG 3.86Å; F151-E167 HydrophobicContact CZ-CB 3.75Å; F151-E167 HydrophobicContact CZ-CG 3.98Å |
| 152 | E | 98.8 | Very high | 98.1 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 15% | 0.154 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 120.8 | 164 | -52.1 | -144.1 | 138.9 | 0 | 0 | 108.5 | G123 V126 R131 T135 Y150 N160 | G123-E152 CarbonylContact O-C 3.54Å; G123-E152 WeakPolarHBondContact O-CA 2.96Å; V126-E152 HydrophobicContact CB-CB 4.22Å; V126-E152 HydrophobicContact CG2-CB 3.86Å; V126-E152 WeakPolarHBondContact CG2-OE2 3.38Å; R131-E152 IonicContact CZ-OE1 3.48Å; R131-E152 IonicContact CZ-OE2 3.64Å; R131-E152 IonicContact NH1-OE1 2.86Å; R131-E152 PolarHBondContact NH1-OE1 3.06Å; R131-E152 IonicContact NH1-OE2 3.03Å; R131-E152 PolarHBondContact NH1-OE2 3.27Å; R131-E152 IonicContact NH2-OE1 2.72Å; R131-E152 PolarHBondContact NH2-OE1 2.48Å; R131-E152 IonicContact NH2-OE2 3.65Å; T135-E152 WeakPolarHBondContact CB-OE1 3.38Å; T135-E152 VanDerWaalsContact OG1-CD 3.32Å; T135-E152 PolarHBondContact OG1-OE1 3.42Å; T135-E152 PolarHBondContact OG1-OE2 2.91Å; Y150-E152 HydrophobicContact CE1-CG 3.72Å; Y150-E152 WeakPolarHBondContact OH-CG 3.32Å; Y150-E152 PolarHBondContact OH-OE1 2.99Å; E152-N160 VanDerWaalsContact O-CB 3.29Å; E152-N160 WeakPolarHBondContact O-CB 3.48Å; E152-N160 PolarHBondContact O-ND2 3.39Å |
| 153 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -122.6 | 155.5 | -172.6 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | L122 G123 N124 K125 V126 F151 T159 N160 A164 | L122-T153 HydrophobicContact CD2-CG2 4.31Å; G123-T153 PolarHBondContact O-N 2.78Å; N124-T153 CarbonylContact C-O 3.51Å; N124-T153 VanDerWaalsContact CA-O 3.28Å; N124-T153 WeakPolarHBondContact CA-O 3.48Å; N124-T153 WeakPolarHBondContact CA-OG1 3.24Å; N124-T153 PolarHBondContact OD1-O 3.45Å; N124-T153 PolarHBondContact OD1-OG1 2.88Å; K125-T153 PolarHBondContact N-O 3.34Å; V126-T153 PolarHBondContact N-O 2.78Å; F151-T153 HydrophobicContact CB-CG2 4.01Å; T153-T159 CarbonylContact C-O 3.54Å; T153-T159 VanDerWaalsContact CA-O 3.23Å; T153-T159 WeakPolarHBondContact CA-O 3.39Å; T153-N160 HydrophobicContact CG2-CB 4.12Å; T153-A164 HydrophobicContact CG2-CB 4.35Å | ||
| 154 | S | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -134.6 | 116.7 | 159.9 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | D127 K156 D157 A158 T159 | D127-S154 VanDerWaalsContact OD1-CB 3.3Å; D127-S154 WeakPolarHBondContact OD1-CB 3.47Å; D127-S154 PolarHBondContact OD1-OG 3.33Å; S154-K156 PolarHBondContact O-N 2.77Å; S154-K156 WeakPolarHBondContact OG-CB 3.5Å; S154-K156 PolarHBondContact OG-N 2.96Å; S154-K156 VanDerWaalsContact OG-N 3.07Å; S154-D157 WeakPolarHBondContact CB-OD1 3.32Å; S154-D157 PolarHBondContact OG-N 2.71Å; S154-D157 PolarHBondContact OG-OD1 3.03Å; S154-A158 CarbonylContact O-C 3.56Å; S154-A158 WeakPolarHBondContact O-CA 3.46Å; S154-A158 PolarHBondContact O-N 3.4Å; S154-T159 PolarHBondContact N-O 3.06Å; S154-T159 PolarHBondContact O-N 3.13Å | ||
| 155 | A | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I23 R26 F32 N124 | I23-A155 HydrophobicContact CG1-CB 4Å; R26-A155 HydrophobicContact CB-CB 4.4Å; R26-A155 PolarHBondContact NE-O 3.46Å; R26-A155 PolarHBondContact NH2-O 3.28Å; F32-A155 HydrophobicContact CD2-CB 4.22Å; F32-A155 WeakPolarHBondContact CD2-O 3.03Å; F32-A155 HydrophobicContact CE2-CB 4.44Å; N124-A155 PolarHBondContact OD1-N 3.23Å |
| 156 | K | 98 | Very high | 98.1 | Very high | 115 Ų | 115 | 42.2 Ų | 42.2 | 50% | 0.5 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -51.1 | -176.2 | -173.2 | -171.1 | -177.7 | -179.8 | 0 | 111.4 | R26 F32 D127 S154 | R26-K156 PolarHBondContact NH2-O 2.71Å; F32-K156 HydrophobicContact CD1-CB 4.5Å; F32-K156 HydrophobicContact CD1-CG 4.16Å; F32-K156 HydrophobicContact CD2-CB 4.31Å; F32-K156 HydrophobicContact CE1-CB 4.28Å; F32-K156 HydrophobicContact CE1-CG 3.89Å; F32-K156 HydrophobicContact CE2-CB 4.08Å; F32-K156 HydrophobicContact CZ-CB 4.07Å; F32-K156 HydrophobicContact CZ-CG 4.12Å; D127-K156 WeakPolarHBondContact OD2-CD 3.29Å; D127-K156 IonicContact OD2-NZ 3.38Å; D127-K156 PolarHBondContact OD2-NZ 2.66Å; D127-K156 VanDerWaalsContact OD2-NZ 3.11Å; S154-K156 PolarHBondContact O-N 2.77Å; S154-K156 WeakPolarHBondContact OG-CB 3.5Å; S154-K156 PolarHBondContact OG-N 2.96Å; S154-K156 VanDerWaalsContact OG-N 3.07Å |
| 157 | D | 97.6 | Very high | 98.3 | Very high | 88 Ų | 88 | 42.7 Ų | 42.7 | 47% | 0.471 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 0.9 | -178.3 | 66.1 | 24.5 | 0 | 0 | 0 | 114.5 | S154 T159 | S154-D157 WeakPolarHBondContact CB-OD1 3.32Å; S154-D157 PolarHBondContact OG-N 2.71Å; S154-D157 PolarHBondContact OG-OD1 3.03Å; D157-T159 VanDerWaalsContact C-N 3.34Å; D157-T159 WeakPolarHBondContact OD1-CB 3.47Å; D157-T159 PolarHBondContact OD1-N 3.32Å; D157-T159 PolarHBondContact OD1-OG1 2.89Å |
| 158 | A | 98.3 | Very high | 98.3 | Very high | 38 Ų | 38 | 36.9 Ų | 36.9 | 31% | 0.314 | 20% | 0.199 | S | C | . | . | trans | 76 | 6.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | R26 S154 N160 V161 | R26-A158 HydrophobicContact CG-CB 4.16Å; S154-A158 CarbonylContact O-C 3.56Å; S154-A158 WeakPolarHBondContact O-CA 3.46Å; S154-A158 PolarHBondContact O-N 3.4Å; A158-N160 PolarHBondContact O-N 2.94Å; A158-N160 VanDerWaalsContact O-N 3.16Å; A158-V161 PolarHBondContact O-N 3.5Å | ||
| 159 | T | 98.8 | Very high | 98.2 | Very high | 54 Ų | 54 | 36.1 Ų | 36.1 | 33% | 0.331 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 122.2 | 178.5 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | V126 T153 S154 D157 V161 | V126-T159 HydrophobicContact CG1-CG2 3.92Å; T153-T159 CarbonylContact C-O 3.54Å; T153-T159 VanDerWaalsContact CA-O 3.23Å; T153-T159 WeakPolarHBondContact CA-O 3.39Å; S154-T159 PolarHBondContact N-O 3.06Å; S154-T159 PolarHBondContact O-N 3.13Å; D157-T159 VanDerWaalsContact C-N 3.34Å; D157-T159 WeakPolarHBondContact OD1-CB 3.47Å; D157-T159 PolarHBondContact OD1-N 3.32Å; D157-T159 PolarHBondContact OD1-OG1 2.89Å; T159-V161 PolarHBondContact O-N 3.02Å |
| 160 | N | 98.6 | Very high | 98.1 | Very high | 70 Ų | 70 | 39.5 Ų | 39.5 | 37% | 0.374 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 7.7 | 177.6 | -61.6 | -33.7 | 0 | 0 | 0 | 117.3 | E152 T153 A158 A162 V163 A164 | E152-N160 VanDerWaalsContact O-CB 3.29Å; E152-N160 WeakPolarHBondContact O-CB 3.48Å; E152-N160 PolarHBondContact O-ND2 3.39Å; T153-N160 HydrophobicContact CG2-CB 4.12Å; A158-N160 PolarHBondContact O-N 2.94Å; A158-N160 VanDerWaalsContact O-N 3.16Å; N160-A162 PolarHBondContact O-N 2.73Å; N160-V163 PolarHBondContact O-N 2.72Å; N160-A164 WeakPolarHBondContact O-CB 3.32Å; N160-A164 PolarHBondContact O-N 2.77Å |
| 161 | V | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | -177.4 | 173 | 0 | 0 | 0 | 0 | 111.1 | I23 R26 Y27 A158 T159 F165 | I23-V161 HydrophobicContact CG2-CG1 4.31Å; R26-V161 HydrophobicContact CB-CG1 4.39Å; R26-V161 HydrophobicContact CG-CB 4.22Å; R26-V161 HydrophobicContact CG-CG1 3.98Å; R26-V161 HydrophobicContact CG-CG2 4.05Å; Y27-V161 HydrophobicContact CD2-CG1 4.4Å; Y27-V161 HydrophobicContact CG-CG1 4.49Å; A158-V161 PolarHBondContact O-N 3.5Å; T159-V161 PolarHBondContact O-N 3.02Å; V161-F165 HydrophobicContact CG1-CD2 4.34Å; V161-F165 HydrophobicContact CG1-CE2 4.32Å; V161-F165 WeakPolarHBondContact O-CD2 3.49Å; V161-F165 PolarHBondContact O-N 3.48Å |
| 162 | A | 98.1 | Very high | 97.7 | Very high | 44 Ų | 44 | 41.5 Ų | 41.5 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.5 | -46.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y27 N160 A164 F165 E166 | Y27-A162 HydrophobicContact CD2-CB 4.4Å; Y27-A162 HydrophobicContact CE2-CB 4.23Å; N160-A162 PolarHBondContact O-N 2.73Å; A162-A164 VanDerWaalsContact C-N 3.3Å; A162-A164 PolarHBondContact O-N 2.93Å; A162-F165 PolarHBondContact O-N 3.19Å; A162-F165 VanDerWaalsContact O-N 3.14Å; A162-E166 WeakPolarHBondContact O-CG 3.27Å; A162-E166 PolarHBondContact O-N 3.34Å |
| 163 | V | 98.1 | Very high | 97.5 | Very high | 67 Ų | 67 | 40.9 Ų | 40.9 | 41% | 0.406 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60 | -40.7 | -178.9 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | F151 N160 F165 E166 E167 | F151-V163 HydrophobicContact CD1-CG1 4.31Å; F151-V163 HydrophobicContact CE1-CB 4.46Å; F151-V163 HydrophobicContact CE1-CG1 3.64Å; F151-V163 HydrophobicContact CZ-CG1 4.3Å; N160-V163 PolarHBondContact O-N 2.72Å; V163-F165 PolarHBondContact O-N 2.99Å; V163-E166 PolarHBondContact O-N 3.45Å; V163-E167 PolarHBondContact O-N 3.35Å |
| 164 | A | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L122 F151 T153 N160 A162 A168 | L122-A164 HydrophobicContact CD2-CB 3.59Å; F151-A164 HydrophobicContact CB-CB 4.13Å; F151-A164 HydrophobicContact CD2-CB 3.95Å; F151-A164 HydrophobicContact CG-CB 3.98Å; T153-A164 HydrophobicContact CG2-CB 4.35Å; N160-A164 WeakPolarHBondContact O-CB 3.32Å; N160-A164 PolarHBondContact O-N 2.77Å; A162-A164 VanDerWaalsContact C-N 3.3Å; A162-A164 PolarHBondContact O-N 2.93Å; A164-A168 PolarHBondContact O-N 3.14Å; A164-A168 VanDerWaalsContact O-N 3.12Å |
| 165 | F | 98.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -72.6 | -35.1 | 175.8 | -83.5 | -78.9 | 0 | 0 | 0 | 112.6 | V10 I23 Y27 L58 I60 L84 V161 A162 V163 A168 V169 | V10-F165 HydrophobicContact CG1-CE1 4.28Å; I23-F165 HydrophobicContact CG2-CE2 3.66Å; I23-F165 HydrophobicContact CG2-CZ 4.14Å; Y27-F165 HydrophobicContact CD1-CB 4.06Å; Y27-F165 AromaticContact CD1-CD1 3.88Å; Y27-F165 HydrophobicContact CD1-CD1 3.88Å; Y27-F165 AromaticContact CD1-CD2 3.46Å; Y27-F165 HydrophobicContact CD1-CD2 3.46Å; Y27-F165 VanDerWaalsContact CD1-CD2 3.46Å; Y27-F165 HydrophobicContact CD1-CE1 4.15Å; Y27-F165 AromaticContact CD1-CE2 3.77Å; Y27-F165 HydrophobicContact CD1-CE2 3.77Å; Y27-F165 AromaticContact CD1-CG 3.53Å; Y27-F165 HydrophobicContact CD1-CG 3.53Å; Y27-F165 HydrophobicContact CD1-CZ 4.11Å; Y27-F165 HydrophobicContact CD2-CB 4.11Å; Y27-F165 AromaticContact CD2-CD2 3.66Å; Y27-F165 HydrophobicContact CD2-CD2 3.66Å; Y27-F165 HydrophobicContact CD2-CE2 4.39Å; Y27-F165 HydrophobicContact CD2-CG 4.1Å; Y27-F165 HydrophobicContact CE1-CB 3.57Å; Y27-F165 AromaticContact CE1-CD1 3.82Å; Y27-F165 HydrophobicContact CE1-CD1 3.82Å; Y27-F165 AromaticContact CE1-CD2 3.91Å; Y27-F165 HydrophobicContact CE1-CD2 3.91Å; Y27-F165 HydrophobicContact CE1-CE1 4.49Å; Y27-F165 AromaticContact CE1-CG 3.5Å; Y27-F165 HydrophobicContact CE1-CG 3.5Å; Y27-F165 VanDerWaalsContact CE1-CG 3.5Å; Y27-F165 HydrophobicContact CE2-CB 3.65Å; Y27-F165 HydrophobicContact CE2-CD2 4.11Å; Y27-F165 HydrophobicContact CE2-CG 4.1Å; Y27-F165 HydrophobicContact CG-CB 4.29Å; Y27-F165 AromaticContact CG-CD2 3.3Å; Y27-F165 HydrophobicContact CG-CD2 3.3Å; Y27-F165 AromaticContact CG-CE2 3.65Å; Y27-F165 HydrophobicContact CG-CE2 3.65Å; Y27-F165 AromaticContact CG-CG 3.82Å; Y27-F165 HydrophobicContact CG-CG 3.82Å; Y27-F165 HydrophobicContact CG-CZ 4.41Å; Y27-F165 AromaticContact CZ-CG 3.8Å; L58-F165 HydrophobicContact CD2-CD1 4.32Å; I60-F165 HydrophobicContact CD1-CD1 4.2Å; I60-F165 HydrophobicContact CD1-CE1 3.79Å; I60-F165 HydrophobicContact CD1-CZ 4.3Å; I60-F165 HydrophobicContact CG1-CE1 4.03Å; I60-F165 HydrophobicContact CG2-CE1 3.73Å; I60-F165 HydrophobicContact CG2-CZ 3.99Å; L84-F165 HydrophobicContact CD1-CD1 3.98Å; L84-F165 HydrophobicContact CD1-CE1 3.51Å; L84-F165 HydrophobicContact CD1-CE2 4.46Å; L84-F165 HydrophobicContact CD1-CZ 3.79Å; V161-F165 HydrophobicContact CG1-CD2 4.34Å; V161-F165 HydrophobicContact CG1-CE2 4.32Å; V161-F165 WeakPolarHBondContact O-CD2 3.49Å; V161-F165 PolarHBondContact O-N 3.48Å; A162-F165 PolarHBondContact O-N 3.19Å; A162-F165 VanDerWaalsContact O-N 3.14Å; V163-F165 PolarHBondContact O-N 2.99Å; F165-A168 WeakPolarHBondContact O-CB 3.41Å; F165-A168 PolarHBondContact O-N 2.96Å; F165-V169 VanDerWaalsContact O-CG2 3.31Å; F165-V169 WeakPolarHBondContact O-CG2 3.21Å; F165-V169 PolarHBondContact O-N 2.7Å |
| 166 | E | 96.8 | Very high | 96.2 | Very high | 96 Ų | 96 | 46.3 Ų | 46.3 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 174.3 | -72.9 | 167.2 | -165.4 | 0 | 0 | 111.3 | A162 V163 A168 V169 H170 | A162-E166 WeakPolarHBondContact O-CG 3.27Å; A162-E166 PolarHBondContact O-N 3.34Å; V163-E166 PolarHBondContact O-N 3.45Å; E166-A168 VanDerWaalsContact C-N 3.34Å; E166-A168 PolarHBondContact O-N 3.27Å; E166-V169 PolarHBondContact O-N 3.12Å; E166-H170 PolarHBondContact O-N 3.07Å |
| 167 | E | 97.8 | Very high | 95.4 | Very high | 47 Ų | 47 | 43.1 Ų | 43.1 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 173.7 | 178.5 | 60.3 | -162.8 | 0 | 0 | 111.3 | V120 P149 F151 V163 V169 H170 R171 | V120-E167 HydrophobicContact CG2-CG 4.36Å; P149-E167 HydrophobicContact CB-CG 3.97Å; P149-E167 HydrophobicContact CG-CG 3.93Å; F151-E167 HydrophobicContact CE2-CB 3.81Å; F151-E167 HydrophobicContact CE2-CG 3.86Å; F151-E167 HydrophobicContact CZ-CB 3.75Å; F151-E167 HydrophobicContact CZ-CG 3.98Å; V163-E167 PolarHBondContact O-N 3.35Å; E167-V169 VanDerWaalsContact C-N 3.27Å; E167-V169 PolarHBondContact O-N 3.36Å; E167-H170 PolarHBondContact O-N 3.46Å; E167-R171 HydrophobicContact CG-CG 4.37Å; E167-R171 WeakPolarHBondContact O-CG 3.25Å; E167-R171 PolarHBondContact O-N 3.23Å; E167-R171 VanDerWaalsContact OE1-CD 3.32Å; E167-R171 WeakPolarHBondContact OE1-CD 3.49Å; E167-R171 WeakPolarHBondContact OE1-CG 3.42Å; E167-R171 IonicContact OE1-CZ 2.7Å; E167-R171 IonicContact OE1-NH1 3.11Å; E167-R171 PolarHBondContact OE1-NH1 3.41Å |
| 168 | A | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.6 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L84 V120 A164 F165 E166 A172 | L84-A168 HydrophobicContact CD2-CB 3.79Å; V120-A168 HydrophobicContact CG2-CB 4.25Å; A164-A168 PolarHBondContact O-N 3.14Å; A164-A168 VanDerWaalsContact O-N 3.12Å; F165-A168 WeakPolarHBondContact O-CB 3.41Å; F165-A168 PolarHBondContact O-N 2.96Å; E166-A168 VanDerWaalsContact C-N 3.34Å; E166-A168 PolarHBondContact O-N 3.27Å; A168-A172 VanDerWaalsContact O-CB 3.29Å; A168-A172 WeakPolarHBondContact O-CB 3.44Å; A168-A172 PolarHBondContact O-N 2.82Å |
| 169 | V | 96.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.8 | -48 | 175.7 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L8 L49 V51 L58 F165 E166 E167 R171 A172 L173 | L8-V169 HydrophobicContact CD1-CB 4.35Å; L8-V169 HydrophobicContact CD1-CG1 3.85Å; L8-V169 HydrophobicContact CD1-CG2 4.33Å; L49-V169 HydrophobicContact CD1-CG2 4.14Å; V51-V169 HydrophobicContact CG2-CG1 3.86Å; L58-V169 HydrophobicContact CD1-CG2 3.75Å; L58-V169 HydrophobicContact CD2-CG2 3.43Å; L58-V169 VanDerWaalsContact CD2-CG2 3.43Å; L58-V169 HydrophobicContact CG-CG2 3.75Å; F165-V169 VanDerWaalsContact O-CG2 3.31Å; F165-V169 WeakPolarHBondContact O-CG2 3.21Å; F165-V169 PolarHBondContact O-N 2.7Å; E166-V169 PolarHBondContact O-N 3.12Å; E167-V169 VanDerWaalsContact C-N 3.27Å; E167-V169 PolarHBondContact O-N 3.36Å; V169-R171 VanDerWaalsContact C-N 3.31Å; V169-R171 PolarHBondContact O-N 2.93Å; V169-A172 PolarHBondContact O-N 3.02Å; V169-L173 HydrophobicContact CG1-CD1 3.88Å; V169-L173 HydrophobicContact CG1-CG 4.41Å; V169-L173 WeakPolarHBondContact O-CG 3.39Å; V169-L173 PolarHBondContact O-N 3.37Å |
| 170 | H | 95.4 | Very high | 91.7 | Very high | 97 Ų | 97 | 46.8 Ų | 46.8 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 178.9 | -70.4 | 174.1 | 0 | 0 | 0 | 111.8 | E166 E167 L173 A174 | E166-H170 PolarHBondContact O-N 3.07Å; E167-H170 PolarHBondContact O-N 3.46Å; H170-L173 PolarHBondContact O-N 2.97Å; H170-A174 WeakPolarHBondContact O-CB 3.33Å; H170-A174 PolarHBondContact O-N 3.42Å |
| 171 | R | 95.3 | Very high | 89.9 | Confident | 109 Ų | 109 | 50.5 Ų | 50.5 | 41% | 0.411 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.4 | -39 | 178.7 | -61.4 | -155.5 | 90.7 | 91.6 | -6.8 | 113 | P118 E167 V169 A174 A175 | P118-R171 HydrophobicContact CB-CB 3.95Å; P118-R171 HydrophobicContact CG-CB 4.49Å; E167-R171 HydrophobicContact CG-CG 4.37Å; E167-R171 WeakPolarHBondContact O-CG 3.25Å; E167-R171 PolarHBondContact O-N 3.23Å; E167-R171 VanDerWaalsContact OE1-CD 3.32Å; E167-R171 WeakPolarHBondContact OE1-CD 3.49Å; E167-R171 WeakPolarHBondContact OE1-CG 3.42Å; E167-R171 IonicContact OE1-CZ 2.7Å; E167-R171 IonicContact OE1-NH1 3.11Å; E167-R171 PolarHBondContact OE1-NH1 3.41Å; V169-R171 VanDerWaalsContact C-N 3.31Å; V169-R171 PolarHBondContact O-N 2.93Å; R171-A174 PolarHBondContact O-N 3.27Å; R171-A175 WeakPolarHBondContact O-CB 3.31Å; R171-A175 PolarHBondContact O-N 3.42Å |
| 172 | A | 95.1 | Very high | 88.1 | Confident | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.033 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L8 D81 C82 A168 V169 A175 D176 | L8-A172 HydrophobicContact CD1-CB 4.04Å; L8-A172 HydrophobicContact CD2-CB 4.18Å; D81-A172 HydrophobicContact CB-CB 4.12Å; C82-A172 HydrophobicContact CB-CB 4.26Å; A168-A172 VanDerWaalsContact O-CB 3.29Å; A168-A172 WeakPolarHBondContact O-CB 3.44Å; A168-A172 PolarHBondContact O-N 2.82Å; V169-A172 PolarHBondContact O-N 3.02Å; A172-A175 PolarHBondContact O-N 3.36Å; A172-D176 PolarHBondContact O-N 3.23Å; A172-D176 VanDerWaalsContact O-N 3.08Å |
| 173 | L | 93.6 | Very high | 86 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 10% | 0.099 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 176.3 | -67.3 | 171.9 | 0 | 0 | 0 | 111.9 | L8 V51 V56 V169 H170 A175 D176 D177 | L8-L173 HydrophobicContact CD1-CD2 4.11Å; L8-L173 HydrophobicContact CD1-CG 4.05Å; L8-L173 HydrophobicContact CD2-CD2 4.26Å; V51-L173 HydrophobicContact CB-CD1 4.46Å; V51-L173 HydrophobicContact CG1-CD1 3.96Å; V56-L173 HydrophobicContact CG2-CD1 4.46Å; V169-L173 HydrophobicContact CG1-CD1 3.88Å; V169-L173 HydrophobicContact CG1-CG 4.41Å; V169-L173 WeakPolarHBondContact O-CG 3.39Å; V169-L173 PolarHBondContact O-N 3.37Å; H170-L173 PolarHBondContact O-N 2.97Å; L173-A175 VanDerWaalsContact C-N 3.3Å; L173-A175 PolarHBondContact O-N 3.05Å; L173-D176 PolarHBondContact O-N 3.38Å; L173-D177 PolarHBondContact O-N 3.2Å |
| 174 | A | 91.9 | Very high | 83.5 | Confident | 49 Ų | 49 | 60.9 Ų | 60.9 | 41% | 0.405 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | H170 R171 K178 | H170-A174 WeakPolarHBondContact O-CB 3.33Å; H170-A174 PolarHBondContact O-N 3.42Å; R171-A174 PolarHBondContact O-N 3.27Å; A174-K178 WeakPolarHBondContact O-CG 3.41Å; A174-K178 PolarHBondContact O-N 3.06Å |
| 175 | A | 90.2 | Very high | 81.2 | Confident | 30 Ų | 30 | 66.8 Ų | 66.8 | 25% | 0.248 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -74.5 | -37.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | P118 R171 A172 L173 K178 A179 | P118-A175 HydrophobicContact CG-CB 3.59Å; R171-A175 WeakPolarHBondContact O-CB 3.31Å; R171-A175 PolarHBondContact O-N 3.42Å; A172-A175 PolarHBondContact O-N 3.36Å; L173-A175 VanDerWaalsContact C-N 3.3Å; L173-A175 PolarHBondContact O-N 3.05Å; A175-K178 PolarHBondContact O-N 3.12Å; A175-A179 PolarHBondContact O-N 3.29Å |
| 176 | D | 85.5 | Confident | 78.9 | Confident | 38 Ų | 38 | 73.8 Ų | 73.8 | 20% | 0.203 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.2 | -46.6 | 176.1 | -163.3 | 62.6 | 0 | 0 | 0 | 111.3 | K5 A172 L173 K178 A179 D180 | K5-D176 WeakPolarHBondContact CB-OD2 3.38Å; A172-D176 PolarHBondContact O-N 3.23Å; A172-D176 VanDerWaalsContact O-N 3.08Å; L173-D176 PolarHBondContact O-N 3.38Å; D176-K178 VanDerWaalsContact C-N 3.27Å; D176-K178 PolarHBondContact O-N 3Å; D176-A179 PolarHBondContact O-N 3.47Å; D176-A179 VanDerWaalsContact O-N 3.1Å; D176-D180 PolarHBondContact O-N 3.42Å |
| 177 | D | 81.8 | Confident | 77.1 | Confident | 49 Ų | 49 | 74.6 Ų | 74.6 | 26% | 0.262 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.4 | -40.1 | 176.2 | -76.8 | -19.7 | 0 | 0 | 0 | 111.7 | L173 H181 | L173-D177 PolarHBondContact O-N 3.2Å; D177-H181 PolarHBondContact O-CD2 2.79Å; D177-H181 PolarHBondContact O-N 3.3Å |
| 178 | K | 76.1 | Confident | 75.1 | Confident | 139 Ų | 139 | 78.2 Ų | 78.2 | 60% | 0.604 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -67.5 | -40.7 | 176.6 | -73.9 | 176.5 | -177.2 | 179.6 | 0 | 112.5 | A174 A175 D176 H181 L182 | A174-K178 WeakPolarHBondContact O-CG 3.41Å; A174-K178 PolarHBondContact O-N 3.06Å; A175-K178 PolarHBondContact O-N 3.12Å; D176-K178 VanDerWaalsContact C-N 3.27Å; D176-K178 PolarHBondContact O-N 3Å; K178-H181 PolarHBondContact O-N 3.38Å; K178-L182 WeakPolarHBondContact O-CG 3.42Å; K178-L182 PolarHBondContact O-N 3.04Å |
| 179 | A | 73.5 | Confident | 72.9 | Confident | 53 Ų | 53 | 86.7 Ų | 86.7 | 44% | 0.438 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A175 D176 H181 L182 I183 | A175-A179 PolarHBondContact O-N 3.29Å; D176-A179 PolarHBondContact O-N 3.47Å; D176-A179 VanDerWaalsContact O-N 3.1Å; A179-H181 VanDerWaalsContact C-N 3.3Å; A179-H181 PolarHBondContact O-N 3.27Å; A179-L182 PolarHBondContact O-N 3.12Å; A179-L182 VanDerWaalsContact O-N 3.12Å; A179-I183 PolarHBondContact O-N 3.18Å |
| 180 | D | 67.4 | Low | 70.8 | Confident | 65 Ų | 65 | 94.3 Ų | 94.3 | 35% | 0.348 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 176.7 | -94.3 | 2.7 | 0 | 0 | 0 | 112.7 | D176 L182 | D176-D180 PolarHBondContact O-N 3.42Å; D180-L182 VanDerWaalsContact C-N 3.28Å; D180-L182 PolarHBondContact O-N 3.34Å |
| 181 | H | 62.1 | Low | 68.8 | Low | 148 Ų | 148 | 98 Ų | 98 | 69% | 0.685 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -72.6 | -19.1 | 176.5 | -72.1 | -48.1 | 0 | 0 | 0 | 114.1 | D177 K178 A179 | D177-H181 PolarHBondContact O-CD2 2.79Å; D177-H181 PolarHBondContact O-N 3.3Å; K178-H181 PolarHBondContact O-N 3.38Å; A179-H181 VanDerWaalsContact C-N 3.3Å; A179-H181 PolarHBondContact O-N 3.27Å |
| 182 | L | 59.5 | Low | 66.7 | Low | 120 Ų | 120 | 104.2 Ų | 104.2 | 63% | 0.628 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -93.3 | -9.9 | -177.5 | -72.1 | 169.8 | 0 | 0 | 0 | 113.9 | K178 A179 D180 P184 | K178-L182 WeakPolarHBondContact O-CG 3.42Å; K178-L182 PolarHBondContact O-N 3.04Å; A179-L182 PolarHBondContact O-N 3.12Å; A179-L182 VanDerWaalsContact O-N 3.12Å; D180-L182 VanDerWaalsContact C-N 3.28Å; D180-L182 PolarHBondContact O-N 3.34Å; L182-P184 WeakPolarHBondContact O-CD 3.21Å |
| 183 | I | 54.1 | Low | 64.5 | Low | 112 Ų | 112 | 113.2 Ų | 113.2 | 57% | 0.574 | 59% | 0.586 | S | S | * | * | trans | -74.3 | 105.6 | 174.6 | -53.7 | 173.9 | 0 | 0 | 0 | 108.1 | A179 T185 | A179-I183 PolarHBondContact O-N 3.18Å; I183-T185 PolarHBondContact O-N 3.34Å | ||
| 184 | P | 45.7 | Very low | 62.4 | Low | 101 Ų | 101 | 118.2 Ų | 118.2 | 66% | 0.656 | 62% | 0.62 | S | S | * | * | trans | -67.5 | 126.2 | 168.6 | -7.1 | 27.4 | 0 | 0 | 0 | 105.9 | L182 D186 | L182-P184 WeakPolarHBondContact O-CD 3.21Å; P184-D186 PolarHBondContact O-N 3.42Å | ||
| 185 | T | 51.4 | Low | 60.4 | Low | 124 Ų | 124 | 127.7 Ų | 127.7 | 76% | 0.761 | 65% | 0.645 | S | S | * | * | trans | -69.7 | 65.7 | 172.3 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | I183 T187 | I183-T185 PolarHBondContact O-N 3.34Å; T185-T187 PolarHBondContact O-N 3.46Å; T185-T187 PolarHBondContact O-OG1 3.45Å | ||
| 186 | D | 49.9 | Very low | 58.5 | Low | 148 Ų | 148 | 131.3 Ų | 131.3 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | trans | -77.5 | 65.3 | 160.9 | -89.6 | -20.2 | 0 | 0 | 0 | 108.1 | P184 V188 | P184-D186 PolarHBondContact O-N 3.42Å; D186-V188 PolarHBondContact O-N 3.2Å | ||
| 187 | T | 57.8 | Low | 56.9 | Low | 113 Ų | 113 | 134.3 Ų | 134.3 | 69% | 0.693 | 70% | 0.699 | S | S | * | * | trans | -58 | 102.1 | 161.9 | 23.2 | 0 | 0 | 0 | 0 | 108.1 | T185 K189 | T185-T187 PolarHBondContact O-N 3.46Å; T185-T187 PolarHBondContact O-OG1 3.45Å; T187-K189 PolarHBondContact O-N 3.11Å | ||
| 188 | V | 56.8 | Low | 55.3 | Low | 123 Ų | 123 | 138.7 Ų | 138.7 | 75% | 0.745 | 73% | 0.727 | S | S | * | * | trans | -61.2 | 101.6 | 167.8 | 178.7 | 0 | 0 | 0 | 0 | 107.7 | D186 L190 | D186-V188 PolarHBondContact O-N 3.2Å; V188-L190 PolarHBondContact O-N 2.94Å | ||
| 189 | K | 51.2 | Low | 54.4 | Low | 178 Ų | 178 | 137.4 Ų | 137.4 | 77% | 0.774 | 74% | 0.736 | S | S | * | * | trans | -68.7 | 96.3 | 170.6 | -69.7 | -175.3 | -178.9 | 178.3 | 0 | 108.4 | T187 H191 | T187-K189 PolarHBondContact O-N 3.11Å; K189-H191 VanDerWaalsContact C-N 3.33Å; K189-H191 PolarHBondContact O-N 3.38Å | ||
| 190 | L | 52.8 | Low | 53.2 | Low | 161 Ų | 161 | 140.8 Ų | 140.8 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -66.4 | 90.1 | 170.5 | -80.6 | 161.1 | 0 | 0 | 0 | 109.8 | V188 R192 | V188-L190 PolarHBondContact O-N 2.94Å; L190-R192 PolarHBondContact O-N 2.92Å; L190-R192 VanDerWaalsContact O-N 3.13Å | ||
| 191 | H | 53.3 | Low | 52.3 | Low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.815 | 80% | 0.802 | S | S | * | * | trans | -69.9 | 104.8 | 164.9 | -105.4 | 73.5 | 0 | 0 | 0 | 108.8 | K189 K193 | K189-H191 VanDerWaalsContact C-N 3.33Å; K189-H191 PolarHBondContact O-N 3.38Å; H191-K193 PolarHBondContact O-N 3.5Å; H191-K193 VanDerWaalsContact O-N 3.12Å | ||
| 192 | R | 51 | Low | 51.8 | Low | 239 Ų | 239 | 147.1 Ų | 147.1 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -69.5 | 104.4 | 170.8 | -161.5 | 177.2 | -175.1 | -178.7 | 1.7 | 107.9 | L190 | L190-R192 PolarHBondContact O-N 2.92Å; L190-R192 VanDerWaalsContact O-N 3.13Å | ||
| 193 | K | 49.5 | Very low | 51.4 | Low | 193 Ų | 193 | 148.5 Ų | 148.5 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -58 | 130.3 | 170.7 | -90.6 | -176.9 | 175.3 | 178.4 | 0 | 109.1 | H191 R195 | H191-K193 PolarHBondContact O-N 3.5Å; H191-K193 VanDerWaalsContact O-N 3.12Å; K193-R195 PolarHBondContact O-N 3.19Å |
| 194 | P | 48.5 | Very low | 51.2 | Low | 123 Ų | 123 | 150.5 Ų | 150.5 | 80% | 0.799 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 132.7 | 171.6 | 16.6 | -14.8 | 0 | 0 | 0 | 109.1 | S196 | P194-S196 PolarHBondContact O-N 3.44Š|
| 195 | R | 50.3 | Low | 51.6 | Low | 249 Ų | 249 | 153.4 Ų | 153.4 | 94% | 0.94 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.5 | 172 | -86.6 | 178.2 | 161.6 | 174.1 | -6.3 | 108.5 | K193 A197 | K193-R195 PolarHBondContact O-N 3.19Å; R195-A197 PolarHBondContact O-N 3Å |
| 196 | S | 50.7 | Low | 51.6 | Low | 105 Ų | 105 | 155.3 Ų | 155.3 | 73% | 0.734 | 85% | 0.846 | S | S | * | * | trans | -65.2 | 115.3 | 163 | 53.2 | 0 | 0 | 0 | 0 | 108.2 | P194 T198 | P194-S196 PolarHBondContact O-N 3.44Å; S196-T198 PolarHBondContact O-N 2.99Å | ||
| 197 | A | 51.6 | Low | 51.7 | Low | 102 Ų | 102 | 155.7 Ų | 155.7 | 84% | 0.843 | 85% | 0.85 | S | S | * | * | trans | -67.8 | 107.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | R195 S199 | R195-A197 PolarHBondContact O-N 3Å; A197-S199 PolarHBondContact O-N 3.03Å | ||
| 198 | T | 49.1 | Very low | 51.2 | Low | 140 Ų | 140 | 158.8 Ų | 158.8 | 86% | 0.859 | 86% | 0.861 | S | S | * | * | trans | -79 | 111.6 | 164.7 | 15.7 | 0 | 0 | 0 | 0 | 108.2 | S196 | S196-T198 PolarHBondContact O-N 2.99Š| ||
| 199 | S | 55.4 | Low | 50.8 | Low | 113 Ų | 113 | 161.5 Ų | 161.5 | 79% | 0.79 | 87% | 0.87 | S | S | * | * | trans | -101.7 | 116.6 | 163.3 | 164.4 | 0 | 0 | 0 | 0 | 107.8 | A197 | A197-S199 PolarHBondContact O-N 3.03Š| ||
| 200 | C | 48.7 | Very low | 50.8 | Low | 123 Ų | 123 | 160.2 Ų | 160.2 | 83% | 0.831 | 88% | 0.878 | S | S | * | * | trans | -171.6 | 133 | 162.6 | -88.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 201 | C | 48.4 | Very low | 50.6 | Low | 198 Ų | 198 | 160.1 Ų | 160.1 | 100% | 1.338 | 88% | 0.881 | S | S | * | * | cis | -140.2 | 0 | -4.8 | -73.8 | 0 | 0 | 0 | 0 | 107.3 |
Retrieved 201 of 201 residues in 245.2 ms
(Link to these results)