| 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 | 48.2 | Very low | 71.9 | Confident | 232 Ų | 232 | 86.5 Ų | 86.5 | 100% | 1.143 | 52% | 0.516 | S | S | * | . | 0 | 15.7 | 0 | -80.8 | 170.6 | 128.4 | 0 | 0 | 114.3 | |||||
| 2 | G | 51.9 | Low | 73.3 | Confident | 39 Ų | 39 | 79.8 Ų | 79.8 | 40% | 0.402 | 48% | 0.478 | S | S | . | . | trans | -94 | -19.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | N6 | G2-N6 PolarHBondContact O-N 3.28Š| ||
| 3 | C | 53.6 | Low | 74.5 | Confident | 112 Ų | 112 | 74.1 Ų | 74.1 | 76% | 0.757 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -69.5 | -39.6 | -178.8 | -91.8 | 0 | 0 | 0 | 0 | 113.2 | L5 C7 | C3-L5 PolarHBondContact O-N 3.48Å; C3-C7 WeakPolarHBondContact O-CB 3.31Å; C3-C7 PolarHBondContact O-N 2.79Å; C3-C7 VanDerWaalsContact O-N 3.1Å |
| 4 | D | 64.9 | Low | 75.7 | Confident | 137 Ų | 137 | 75.8 Ų | 75.8 | 73% | 0.733 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -69.7 | -34.9 | -176.9 | -69 | -36.7 | 0 | 0 | 0 | 112.8 | G8 | D4-G8 PolarHBondContact O-N 3.24Å |
| 5 | L | 71.6 | Confident | 76.7 | Confident | 106 Ų | 106 | 76.3 Ų | 76.3 | 56% | 0.555 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -71 | -45.3 | -179.8 | -170.6 | 70.3 | 0 | 0 | 0 | 111.7 | C3 C7 G8 L9 | C3-L5 PolarHBondContact O-N 3.48Å; L5-C7 VanDerWaalsContact C-N 3.32Å; L5-C7 PolarHBondContact O-N 2.91Å; L5-G8 PolarHBondContact O-N 2.82Å; L5-L9 HydrophobicContact CG-CD1 4.43Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.43Å; L5-L9 PolarHBondContact O-N 3Å |
| 6 | N | 77.2 | Confident | 77.6 | Confident | 44 Ų | 44 | 71.5 Ų | 71.5 | 24% | 0.235 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -65.3 | -38 | 177.1 | -76.5 | -17.8 | 0 | 0 | 0 | 111.7 | G2 L9 I10 Y463 | G2-N6 PolarHBondContact O-N 3.28Å; N6-L9 PolarHBondContact O-N 2.91Å; N6-I10 VanDerWaalsContact O-CG1 3.29Å; N6-I10 WeakPolarHBondContact O-CG1 3.38Å; N6-I10 PolarHBondContact O-N 3Å; N6-Y463 HydrophobicContact CB-CE2 4.34Å |
| 7 | C | 79.8 | Confident | 78.4 | Confident | 76 Ų | 76 | 69.2 Ų | 69.2 | 51% | 0.514 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 175.1 | -163.8 | 0 | 0 | 0 | 0 | 110.8 | C3 L5 L9 I10 T11 | C3-C7 WeakPolarHBondContact O-CB 3.31Å; C3-C7 PolarHBondContact O-N 2.79Å; C3-C7 VanDerWaalsContact O-N 3.1Å; L5-C7 VanDerWaalsContact C-N 3.32Å; L5-C7 PolarHBondContact O-N 2.91Å; C7-L9 PolarHBondContact O-N 3.37Å; C7-I10 PolarHBondContact O-N 3.27Å; C7-T11 PolarHBondContact O-N 2.82Å; C7-T11 PolarHBondContact O-OG1 3.18Å |
| 8 | G | 81.8 | Confident | 79.2 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 43% | 0.433 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.9 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D4 L5 T11 G12 | D4-G8 PolarHBondContact O-N 3.24Å; L5-G8 PolarHBondContact O-N 2.82Å; G8-T11 PolarHBondContact O-N 2.82Å; G8-G12 PolarHBondContact O-N 3.23Å |
| 9 | L | 86.8 | Confident | 79.8 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 11% | 0.105 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67 | -40.4 | 176.7 | -68.5 | 173.7 | 0 | 0 | 0 | 112.2 | L5 N6 C7 G12 A13 F459 Y463 C466 | L5-L9 HydrophobicContact CG-CD1 4.43Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.43Å; L5-L9 PolarHBondContact O-N 3Å; N6-L9 PolarHBondContact O-N 2.91Å; C7-L9 PolarHBondContact O-N 3.37Å; L9-G12 PolarHBondContact O-N 3.15Å; L9-A13 PolarHBondContact O-N 3.48Å; L9-F459 HydrophobicContact CD2-CD1 3.76Å; L9-F459 HydrophobicContact CD2-CE1 4.24Å; L9-Y463 HydrophobicContact CB-CD2 4.45Å; L9-C466 HydrophobicContact CD1-CB 4.34Å |
| 10 | I | 86.6 | Confident | 80.3 | Confident | 73 Ų | 73 | 67 Ų | 67 | 37% | 0.374 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 175.2 | -68.2 | 167.9 | 0 | 0 | 0 | 110.4 | N6 C7 G12 A13 I14 Y463 | N6-I10 VanDerWaalsContact O-CG1 3.29Å; N6-I10 WeakPolarHBondContact O-CG1 3.38Å; N6-I10 PolarHBondContact O-N 3Å; C7-I10 PolarHBondContact O-N 3.27Å; I10-G12 VanDerWaalsContact C-N 3.33Å; I10-G12 PolarHBondContact O-N 3.21Å; I10-A13 PolarHBondContact O-N 3.44Å; I10-I14 HydrophobicContact CG2-CD1 3.81Å; I10-I14 HydrophobicContact CG2-CG1 4.38Å; I10-I14 WeakPolarHBondContact O-CG1 3.47Å; I10-I14 PolarHBondContact O-N 2.78Å; I10-Y463 HydrophobicContact CD1-CD2 4.38Å; I10-Y463 HydrophobicContact CD1-CE2 3.73Å; I10-Y463 HydrophobicContact CG1-CD2 3.98Å; I10-Y463 HydrophobicContact CG1-CE2 3.83Å |
| 11 | T | 88.4 | Confident | 80.8 | Confident | 70 Ų | 70 | 68 Ų | 68 | 43% | 0.429 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | C7 G8 A13 I14 I15 | C7-T11 PolarHBondContact O-N 2.82Å; C7-T11 PolarHBondContact O-OG1 3.18Å; G8-T11 PolarHBondContact O-N 2.82Å; T11-A13 PolarHBondContact O-N 2.88Å; T11-I14 PolarHBondContact O-N 2.89Å; T11-I15 HydrophobicContact CG2-CD1 3.98Å; T11-I15 VanDerWaalsContact O-CG1 3.3Å; T11-I15 WeakPolarHBondContact O-CG1 3.4Å; T11-I15 PolarHBondContact O-N 2.9Å |
| 12 | G | 88.4 | Confident | 82.7 | Confident | 6 Ų | 6 | 62.3 Ų | 62.3 | 6% | 0.062 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G8 L9 I10 I15 G16 | G8-G12 PolarHBondContact O-N 3.23Å; L9-G12 PolarHBondContact O-N 3.15Å; I10-G12 VanDerWaalsContact C-N 3.33Å; I10-G12 PolarHBondContact O-N 3.21Å; G12-I15 PolarHBondContact O-N 3.37Å; G12-G16 PolarHBondContact O-N 2.73Å |
| 13 | A | 89.1 | Confident | 84.4 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 5% | 0.05 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L9 I10 T11 I15 G16 A17 F456 F459 M460 | L9-A13 PolarHBondContact O-N 3.48Å; I10-A13 PolarHBondContact O-N 3.44Å; T11-A13 PolarHBondContact O-N 2.88Å; A13-I15 PolarHBondContact O-N 3.25Å; A13-G16 PolarHBondContact O-N 2.99Å; A13-A17 WeakPolarHBondContact O-CB 3.4Å; A13-A17 PolarHBondContact O-N 3.01Å; A13-F456 HydrophobicContact CB-CD2 4.31Å; A13-F456 WeakPolarHBondContact O-CD2 3.38Å; A13-F459 HydrophobicContact CB-CB 3.95Å; A13-M460 HydrophobicContact CB-CG 4.05Å; A13-M460 HydrophobicContact CB-SD 3.95Å |
| 14 | I | 90.9 | Very high | 85.9 | Confident | 98 Ų | 98 | 56.6 Ų | 56.6 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -45.2 | 176.9 | -68.5 | 166.9 | 0 | 0 | 0 | 110.7 | I10 T11 G16 A17 V18 | I10-I14 HydrophobicContact CG2-CD1 3.81Å; I10-I14 HydrophobicContact CG2-CG1 4.38Å; I10-I14 WeakPolarHBondContact O-CG1 3.47Å; I10-I14 PolarHBondContact O-N 2.78Å; T11-I14 PolarHBondContact O-N 2.89Å; I14-G16 VanDerWaalsContact C-N 3.34Å; I14-G16 PolarHBondContact O-N 2.81Å; I14-A17 PolarHBondContact O-N 3.25Å; I14-V18 HydrophobicContact CG2-CG2 4.38Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.31Å; I14-V18 PolarHBondContact O-N 3.01Å |
| 15 | I | 91.7 | Very high | 86.9 | Confident | 83 Ų | 83 | 54.6 Ų | 54.6 | 43% | 0.426 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60 | -45.8 | 176.5 | -68.2 | 166.5 | 0 | 0 | 0 | 110.4 | T11 G12 A13 A17 V18 L19 M455 | T11-I15 HydrophobicContact CG2-CD1 3.98Å; T11-I15 VanDerWaalsContact O-CG1 3.3Å; T11-I15 WeakPolarHBondContact O-CG1 3.4Å; T11-I15 PolarHBondContact O-N 2.9Å; G12-I15 PolarHBondContact O-N 3.37Å; A13-I15 PolarHBondContact O-N 3.25Å; I15-A17 PolarHBondContact O-N 2.96Å; I15-V18 PolarHBondContact O-N 2.66Å; I15-L19 HydrophobicContact CG2-CD1 4.04Å; I15-L19 HydrophobicContact CG2-CG 4.46Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.21Å; I15-M455 HydrophobicContact CG2-CE 4.16Å |
| 16 | G | 91.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G12 A13 I14 L19 A20 G452 | G12-G16 PolarHBondContact O-N 2.73Å; A13-G16 PolarHBondContact O-N 2.99Å; I14-G16 VanDerWaalsContact C-N 3.34Å; I14-G16 PolarHBondContact O-N 2.81Å; G16-L19 PolarHBondContact O-N 2.9Å; G16-A20 WeakPolarHBondContact O-CB 3.44Å; G16-A20 PolarHBondContact O-N 3.32Å; G16-G452 CarbonylContact C-O 3.53Å; G16-G452 WeakPolarHBondContact CA-O 3.5Å; G16-G452 CarbonylContact O-C 3.34Å; G16-G452 VanDerWaalsContact O-CA 3.25Å; G16-G452 WeakPolarHBondContact O-CA 3.21Å; G16-G452 VanDerWaalsContact O-O 3.12Å |
| 17 | A | 90.8 | Very high | 87.7 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | A13 I14 I15 A20 V21 F456 | A13-A17 WeakPolarHBondContact O-CB 3.4Å; A13-A17 PolarHBondContact O-N 3.01Å; I14-A17 PolarHBondContact O-N 3.25Å; I15-A17 PolarHBondContact O-N 2.96Å; A17-A20 PolarHBondContact O-N 2.87Å; A17-V21 WeakPolarHBondContact O-CB 3.42Å; A17-V21 VanDerWaalsContact O-CG2 3.27Å; A17-V21 WeakPolarHBondContact O-CG2 3.46Å; A17-V21 PolarHBondContact O-N 2.93Å; A17-F456 HydrophobicContact CB-CD2 3.81Å; A17-F456 HydrophobicContact CB-CE2 4.14Å |
| 18 | V | 92.3 | Very high | 87.9 | Confident | 91 Ų | 91 | 52.1 Ų | 52.1 | 55% | 0.552 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 177.2 | 171 | 0 | 0 | 0 | 0 | 111 | I14 I15 V21 F22 | I14-V18 HydrophobicContact CG2-CG2 4.38Å; I14-V18 VanDerWaalsContact O-CG2 3.31Å; I14-V18 WeakPolarHBondContact O-CG2 3.31Å; I14-V18 PolarHBondContact O-N 3.01Å; I15-V18 PolarHBondContact O-N 2.66Å; V18-V21 PolarHBondContact O-N 3.45Å; V18-F22 WeakPolarHBondContact O-CB 3.15Å; V18-F22 PolarHBondContact O-N 3Å |
| 19 | L | 91.2 | Very high | 88 | Confident | 50 Ų | 50 | 53.3 Ų | 53.3 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 176.5 | -72 | 172.5 | 0 | 0 | 0 | 112.2 | I15 G16 F22 G23 L448 M455 | I15-L19 HydrophobicContact CG2-CD1 4.04Å; I15-L19 HydrophobicContact CG2-CG 4.46Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 3.21Å; G16-L19 PolarHBondContact O-N 2.9Å; L19-F22 PolarHBondContact O-N 3.39Å; L19-G23 PolarHBondContact O-N 3.46Å; L19-L448 HydrophobicContact CD2-CD2 3.99Å; L19-M455 HydrophobicContact CD1-SD 4.13Å |
| 20 | A | 90.5 | Very high | 87.7 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | G16 A17 G24 V453 | G16-A20 WeakPolarHBondContact O-CB 3.44Å; G16-A20 PolarHBondContact O-N 3.32Å; A17-A20 PolarHBondContact O-N 2.87Å; A20-G24 PolarHBondContact O-N 2.89Å; A20-V453 HydrophobicContact CB-CG2 4.01Å |
| 21 | V | 90.4 | Very high | 87.4 | Confident | 89 Ų | 89 | 54 Ų | 54 | 54% | 0.539 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.4 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | A17 V18 G24 I25 | A17-V21 WeakPolarHBondContact O-CB 3.42Å; A17-V21 VanDerWaalsContact O-CG2 3.27Å; A17-V21 WeakPolarHBondContact O-CG2 3.46Å; A17-V21 PolarHBondContact O-N 2.93Å; V18-V21 PolarHBondContact O-N 3.45Å; V21-G24 PolarHBondContact O-N 3.32Å; V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.4Å; V21-I25 WeakPolarHBondContact O-CB 3.27Å; V21-I25 VanDerWaalsContact O-CG1 3.3Å; V21-I25 WeakPolarHBondContact O-CG1 3.38Å; V21-I25 PolarHBondContact O-N 2.92Å |
| 22 | F | 88.4 | Confident | 87.2 | Confident | 113 Ų | 113 | 55.6 Ų | 55.6 | 50% | 0.496 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 178.4 | -171.2 | -103.5 | 0 | 0 | 0 | 111.8 | V18 L19 G24 I25 L26 L448 | V18-F22 WeakPolarHBondContact O-CB 3.15Å; V18-F22 PolarHBondContact O-N 3Å; L19-F22 PolarHBondContact O-N 3.39Å; F22-G24 VanDerWaalsContact C-N 3.33Å; F22-G24 PolarHBondContact O-N 3.49Å; F22-I25 PolarHBondContact O-N 2.95Å; F22-L26 HydrophobicContact CE1-CD2 4.42Å; F22-L26 VanDerWaalsContact O-CB 3.22Å; F22-L26 WeakPolarHBondContact O-CB 3.33Å; F22-L26 PolarHBondContact O-N 2.94Å; F22-L448 HydrophobicContact CD1-CD1 4.08Å; F22-L448 HydrophobicContact CE1-CD1 4.28Å |
| 23 | G | 86.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L19 L26 M27 | L19-G23 PolarHBondContact O-N 3.46Å; G23-L26 PolarHBondContact O-N 3.48Å; G23-M27 WeakPolarHBondContact O-CG 3.2Å; G23-M27 PolarHBondContact O-N 2.82Å |
| 24 | G | 85.4 | Confident | 86.6 | Confident | 31 Ų | 31 | 60.7 Ų | 60.7 | 32% | 0.32 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.7 | -35 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A20 V21 F22 P28 | A20-G24 PolarHBondContact O-N 2.89Å; V21-G24 PolarHBondContact O-N 3.32Å; F22-G24 VanDerWaalsContact C-N 3.33Å; F22-G24 PolarHBondContact O-N 3.49Å; G24-P28 WeakPolarHBondContact O-CD 3.39Å |
| 25 | I | 86.3 | Confident | 86.4 | Confident | 95 Ų | 95 | 59.7 Ų | 59.7 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.4 | -35.5 | 172.9 | -68.9 | 169 | 0 | 0 | 0 | 110.9 | V21 F22 M27 P28 V29 | V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.4Å; V21-I25 WeakPolarHBondContact O-CB 3.27Å; V21-I25 VanDerWaalsContact O-CG1 3.3Å; V21-I25 WeakPolarHBondContact O-CG1 3.38Å; V21-I25 PolarHBondContact O-N 2.92Å; F22-I25 PolarHBondContact O-N 2.95Å; I25-M27 VanDerWaalsContact C-N 3.28Å; I25-M27 PolarHBondContact O-N 2.93Å; I25-P28 WeakPolarHBondContact O-CD 3.39Å; I25-P28 WeakPolarHBondContact O-CG 3.27Å; I25-V29 HydrophobicContact CG2-CG2 4.17Å; I25-V29 VanDerWaalsContact O-CG2 3.3Å; I25-V29 WeakPolarHBondContact O-CG2 3.33Å; I25-V29 PolarHBondContact O-N 2.88Å |
| 26 | L | 84.7 | Confident | 86.2 | Confident | 33 Ų | 33 | 62.7 Ų | 62.7 | 17% | 0.173 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.2 | -33.3 | -178 | -168.3 | 65.6 | 0 | 0 | 0 | 111.3 | F22 G23 V29 G30 V444 E445 L448 | F22-L26 HydrophobicContact CE1-CD2 4.42Å; F22-L26 VanDerWaalsContact O-CB 3.22Å; F22-L26 WeakPolarHBondContact O-CB 3.33Å; F22-L26 PolarHBondContact O-N 2.94Å; G23-L26 PolarHBondContact O-N 3.48Å; L26-V29 CarbonylContact O-C 2.98Å; L26-V29 PolarHBondContact O-N 2.8Å; L26-G30 WeakPolarHBondContact O-CA 3.33Å; L26-G30 PolarHBondContact O-N 3.43Å; L26-V444 HydrophobicContact CD2-CG1 4.42Å; L26-E445 HydrophobicContact CB-CG 4.03Å; L26-E445 HydrophobicContact CD2-CG 3.75Å; L26-E445 HydrophobicContact CG-CG 3.73Å; L26-L448 HydrophobicContact CD2-CD1 4.02Å |
| 27 | M | 80.9 | Confident | 86 | Confident | 59 Ų | 59 | 66.4 Ų | 66.4 | 29% | 0.291 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -52.4 | -62.9 | 175.8 | -71.2 | 172.5 | -179.8 | 0 | 0 | 114 | G23 I25 V29 G30 D31 E445 L449 | G23-M27 WeakPolarHBondContact O-CG 3.2Å; G23-M27 PolarHBondContact O-N 2.82Å; I25-M27 VanDerWaalsContact C-N 3.28Å; I25-M27 PolarHBondContact O-N 2.93Å; M27-V29 VanDerWaalsContact C-N 3.27Å; M27-V29 PolarHBondContact O-N 3.5Å; M27-G30 PolarHBondContact O-N 3.34Å; M27-D31 PolarHBondContact O-N 2.92Å; M27-E445 WeakPolarHBondContact CA-OE2 3.31Å; M27-E445 HydrophobicContact CE-CB 4.37Å; M27-E445 HydrophobicContact CG-CB 4Å; M27-E445 HydrophobicContact CG-CG 4.31Å; M27-L449 HydrophobicContact CE-CB 4.21Å; M27-L449 HydrophobicContact CE-CD1 3.84Å; M27-L449 HydrophobicContact CE-CG 4.46Å; M27-L449 HydrophobicContact SD-CD1 4.34Å |
| 28 | P | 83.4 | Confident | 85.9 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 53% | 0.532 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.5 | -28.2 | 179.4 | 26.9 | -35.8 | 0 | 0 | 0 | 113.1 | G24 I25 L32 | G24-P28 WeakPolarHBondContact O-CD 3.39Å; I25-P28 WeakPolarHBondContact O-CD 3.39Å; I25-P28 WeakPolarHBondContact O-CG 3.27Å; P28-L32 WeakPolarHBondContact O-CB 3.4Å; P28-L32 PolarHBondContact O-N 2.85Å |
| 29 | V | 83.9 | Confident | 85.9 | Confident | 67 Ų | 67 | 64.9 Ų | 64.9 | 41% | 0.406 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -73.1 | -38.9 | 176.3 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | I25 L26 M27 L32 L33 | I25-V29 HydrophobicContact CG2-CG2 4.17Å; I25-V29 VanDerWaalsContact O-CG2 3.3Å; I25-V29 WeakPolarHBondContact O-CG2 3.33Å; I25-V29 PolarHBondContact O-N 2.88Å; L26-V29 CarbonylContact O-C 2.98Å; L26-V29 PolarHBondContact O-N 2.8Å; M27-V29 VanDerWaalsContact C-N 3.27Å; M27-V29 PolarHBondContact O-N 3.5Å; V29-L32 PolarHBondContact O-N 3.46Å; V29-L33 HydrophobicContact CG1-CD1 4.15Å; V29-L33 HydrophobicContact CG1-CG 4.42Å; V29-L33 VanDerWaalsContact O-CG 3.3Å; V29-L33 WeakPolarHBondContact O-CG 3.49Å; V29-L33 PolarHBondContact O-N 3.04Å |
| 30 | G | 80.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.3 | -46.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L26 M27 L32 L33 I34 L441 | L26-G30 WeakPolarHBondContact O-CA 3.33Å; L26-G30 PolarHBondContact O-N 3.43Å; M27-G30 PolarHBondContact O-N 3.34Å; G30-L32 VanDerWaalsContact C-N 3.29Å; G30-L32 PolarHBondContact O-N 3.46Å; G30-L33 PolarHBondContact O-N 2.83Å; G30-L33 VanDerWaalsContact O-N 3.13Å; G30-I34 VanDerWaalsContact O-CG1 3.31Å; G30-I34 WeakPolarHBondContact O-CG1 3.48Å; G30-I34 PolarHBondContact O-N 2.96Å; G30-L441 VanDerWaalsContact CA-CD2 3.41Å |
| 31 | D | 80.1 | Confident | 85.9 | Confident | 106 Ų | 106 | 73.3 Ų | 73.3 | 57% | 0.567 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -54.3 | -45.7 | 171.2 | -76.7 | -21.5 | 0 | 0 | 0 | 111.5 | M27 L33 I34 E35 | M27-D31 PolarHBondContact O-N 2.92Å; D31-L33 PolarHBondContact O-N 2.9Å; D31-I34 PolarHBondContact O-N 2.91Å; D31-E35 VanDerWaalsContact O-CB 3.31Å; D31-E35 WeakPolarHBondContact O-CB 3.49Å; D31-E35 PolarHBondContact O-N 3.33Å |
| 32 | L | 84.9 | Confident | 86.1 | Confident | 105 Ų | 105 | 69.3 Ų | 69.3 | 55% | 0.55 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 178.1 | -169.5 | 152.4 | 0 | 0 | 0 | 112.3 | P28 V29 G30 K36 | P28-L32 WeakPolarHBondContact O-CB 3.4Å; P28-L32 PolarHBondContact O-N 2.85Å; V29-L32 PolarHBondContact O-N 3.46Å; G30-L32 VanDerWaalsContact C-N 3.29Å; G30-L32 PolarHBondContact O-N 3.46Å; L32-K36 WeakPolarHBondContact O-CB 3.44Å; L32-K36 PolarHBondContact O-N 3.37Å |
| 33 | L | 82.6 | Confident | 86.5 | Confident | 89 Ų | 89 | 64.6 Ų | 64.6 | 47% | 0.466 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 176.6 | -73.4 | 175.9 | 0 | 0 | 0 | 112.1 | V29 G30 D31 K36 T37 | V29-L33 HydrophobicContact CG1-CD1 4.15Å; V29-L33 HydrophobicContact CG1-CG 4.42Å; V29-L33 VanDerWaalsContact O-CG 3.3Å; V29-L33 WeakPolarHBondContact O-CG 3.49Å; V29-L33 PolarHBondContact O-N 3.04Å; G30-L33 PolarHBondContact O-N 2.83Å; G30-L33 VanDerWaalsContact O-N 3.13Å; D31-L33 PolarHBondContact O-N 2.9Å; L33-K36 PolarHBondContact O-N 3.41Å; L33-T37 WeakPolarHBondContact O-CB 3.29Å; L33-T37 PolarHBondContact O-N 3.42Å; L33-T37 PolarHBondContact O-OG1 2.9Å |
| 34 | I | 82.4 | Confident | 86.9 | Confident | 30 Ų | 30 | 64.7 Ų | 64.7 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.6 | -53.8 | 174 | -70.3 | 163.3 | 0 | 0 | 0 | 108.9 | G30 D31 K36 T37 I38 I438 L441 | G30-I34 VanDerWaalsContact O-CG1 3.31Å; G30-I34 WeakPolarHBondContact O-CG1 3.48Å; G30-I34 PolarHBondContact O-N 2.96Å; D31-I34 PolarHBondContact O-N 2.91Å; I34-K36 VanDerWaalsContact C-N 3.29Å; I34-K36 PolarHBondContact O-N 3.16Å; I34-T37 PolarHBondContact O-N 3.41Å; I34-I38 HydrophobicContact CG2-CG1 4.19Å; I34-I38 WeakPolarHBondContact O-CG1 3.37Å; I34-I38 PolarHBondContact O-N 2.93Å; I34-I438 HydrophobicContact CD1-CB 4.3Å; I34-I438 HydrophobicContact CD1-CG1 4.1Å; I34-I438 HydrophobicContact CD1-CG2 4.04Å; I34-I438 HydrophobicContact CG1-CG1 4.13Å; I34-I438 HydrophobicContact CG2-CD1 3.77Å; I34-I438 HydrophobicContact CG2-CG1 3.72Å; I34-L441 HydrophobicContact CD1-CD2 3.59Å; I34-L441 HydrophobicContact CG1-CD2 3.84Å |
| 35 | E | 86.6 | Confident | 87.3 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 36% | 0.36 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.7 | -46.3 | -179.4 | -169 | -173.8 | 170.9 | 0 | 0 | 110.8 | D31 T37 I38 K39 F257 | D31-E35 VanDerWaalsContact O-CB 3.31Å; D31-E35 WeakPolarHBondContact O-CB 3.49Å; D31-E35 PolarHBondContact O-N 3.33Å; E35-T37 PolarHBondContact O-N 2.88Å; E35-I38 PolarHBondContact O-N 3.44Å; E35-K39 HydrophobicContact CG-CD 4.25Å; E35-K39 WeakPolarHBondContact O-CB 3.47Å; E35-K39 VanDerWaalsContact O-CG 3.23Å; E35-K39 WeakPolarHBondContact O-CG 3.35Å; E35-K39 PolarHBondContact O-N 2.88Å; E35-K39 WeakPolarHBondContact OE1-CE 3.23Å; E35-K39 IonicContact OE1-NZ 3.82Å; E35-K39 PolarHBondContact OE1-NZ 2.91Å; E35-F257 HydrophobicContact CB-CZ 4.23Å; E35-F257 HydrophobicContact CG-CE1 4.04Å; E35-F257 HydrophobicContact CG-CE2 3.93Å; E35-F257 HydrophobicContact CG-CZ 3.51Å |
| 36 | K | 87.6 | Confident | 87.6 | Confident | 146 Ų | 146 | 69.9 Ų | 69.9 | 64% | 0.635 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.7 | -39.4 | 177.1 | -172.9 | 175.2 | -178.2 | 177.8 | 0 | 112.8 | L32 L33 I34 R40 | L32-K36 WeakPolarHBondContact O-CB 3.44Å; L32-K36 PolarHBondContact O-N 3.37Å; L33-K36 PolarHBondContact O-N 3.41Å; I34-K36 VanDerWaalsContact C-N 3.29Å; I34-K36 PolarHBondContact O-N 3.16Å; K36-R40 PolarHBondContact O-N 3.19Å |
| 37 | T | 87.3 | Confident | 87.8 | Confident | 78 Ų | 78 | 70.9 Ų | 70.9 | 48% | 0.479 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68 | -46.8 | 178.5 | -58 | 0 | 0 | 0 | 0 | 110.7 | L33 I34 E35 R40 E41 | L33-T37 WeakPolarHBondContact O-CB 3.29Å; L33-T37 PolarHBondContact O-N 3.42Å; L33-T37 PolarHBondContact O-OG1 2.9Å; I34-T37 PolarHBondContact O-N 3.41Å; E35-T37 PolarHBondContact O-N 2.88Å; T37-R40 PolarHBondContact O-N 2.83Å; T37-R40 VanDerWaalsContact O-N 3.16Å; T37-E41 HydrophobicContact CG2-CG 4.45Å; T37-E41 PolarHBondContact O-N 3.41Å |
| 38 | I | 88.6 | Confident | 88.3 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 6% | 0.062 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 176.7 | -64.2 | -62.7 | 0 | 0 | 0 | 110.3 | I34 E35 R40 E41 V42 P256 F257 I376 T377 V434 | I34-I38 HydrophobicContact CG2-CG1 4.19Å; I34-I38 WeakPolarHBondContact O-CG1 3.37Å; I34-I38 PolarHBondContact O-N 2.93Å; E35-I38 PolarHBondContact O-N 3.44Å; I38-R40 PolarHBondContact O-N 3.18Å; I38-E41 PolarHBondContact O-N 3.25Å; I38-E41 VanDerWaalsContact O-N 3.11Å; I38-V42 HydrophobicContact CG2-CG1 3.96Å; I38-V42 WeakPolarHBondContact O-CG1 3.41Å; I38-V42 WeakPolarHBondContact O-CG2 3.41Å; I38-V42 PolarHBondContact O-N 3.17Å; I38-P256 HydrophobicContact CG2-CB 4.25Å; I38-F257 HydrophobicContact CB-CE1 4.39Å; I38-F257 HydrophobicContact CB-CZ 3.93Å; I38-F257 HydrophobicContact CG2-CE1 4.15Å; I38-F257 HydrophobicContact CG2-CE2 4.41Å; I38-F257 HydrophobicContact CG2-CZ 3.71Å; I38-I376 HydrophobicContact CD1-CG2 3.93Å; I38-I376 HydrophobicContact CG1-CG2 3.78Å; I38-I376 HydrophobicContact CG2-CG2 4.14Å; I38-T377 HydrophobicContact CD1-CG2 4.44Å; I38-V434 HydrophobicContact CD1-CG1 3.94Å |
| 39 | K | 91.8 | Very high | 88.5 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -56.6 | -26 | 177.6 | -75.7 | -176.9 | 179.9 | 170.1 | 0 | 113.5 | E35 V43 I221 F257 | E35-K39 HydrophobicContact CG-CD 4.25Å; E35-K39 WeakPolarHBondContact O-CB 3.47Å; E35-K39 VanDerWaalsContact O-CG 3.23Å; E35-K39 WeakPolarHBondContact O-CG 3.35Å; E35-K39 PolarHBondContact O-N 2.88Å; E35-K39 WeakPolarHBondContact OE1-CE 3.23Å; E35-K39 IonicContact OE1-NZ 3.82Å; E35-K39 PolarHBondContact OE1-NZ 2.91Å; K39-V43 VanDerWaalsContact O-CG2 3.27Å; K39-V43 WeakPolarHBondContact O-CG2 3.42Å; K39-I221 HydrophobicContact CB-CG1 4.4Å; K39-I221 HydrophobicContact CD-CG2 4.15Å; K39-I221 HydrophobicContact CG-CB 4.45Å; K39-I221 HydrophobicContact CG-CG1 4.27Å; K39-I221 HydrophobicContact CG-CG2 4.03Å; K39-I221 VanDerWaalsContact O-CD1 3.31Å; K39-I221 WeakPolarHBondContact O-CD1 3.44Å; K39-F257 HydrophobicContact CD-CE2 4.48Å; K39-F257 HydrophobicContact CG-CE2 3.81Å; K39-F257 HydrophobicContact CG-CZ 4.25Å |
| 40 | R | 90.9 | Very high | 88.8 | Confident | 187 Ų | 187 | 63.6 Ų | 63.6 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -83.6 | -45.7 | 174.9 | -175.5 | -178.1 | 177.4 | -177.1 | -1.1 | 112.3 | K36 T37 I38 V42 | K36-R40 PolarHBondContact O-N 3.19Å; T37-R40 PolarHBondContact O-N 2.83Å; T37-R40 VanDerWaalsContact O-N 3.16Å; I38-R40 PolarHBondContact O-N 3.18Å; R40-V42 VanDerWaalsContact C-N 3.31Å; R40-V42 PolarHBondContact O-N 3.3Å |
| 41 | E | 90.7 | Very high | 89.5 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -74.3 | -19.4 | -175.1 | -71 | -59.2 | 149.1 | 0 | 0 | 114 | T37 I38 T48 I49 A50 | T37-E41 HydrophobicContact CG2-CG 4.45Å; T37-E41 PolarHBondContact O-N 3.41Å; I38-E41 PolarHBondContact O-N 3.25Å; I38-E41 VanDerWaalsContact O-N 3.11Å; E41-T48 WeakPolarHBondContact O-CB 3.28Å; E41-I49 HydrophobicContact CB-CD1 4.4Å; E41-I49 HydrophobicContact CG-CD1 4.29Å; E41-I49 WeakPolarHBondContact OE2-CG1 3.41Å; E41-I49 PolarHBondContact OE2-N 3.17Å; E41-A50 WeakPolarHBondContact O-CB 3.43Å; E41-A50 PolarHBondContact O-N 2.81Å; E41-A50 VanDerWaalsContact O-N 3.13Å |
| 42 | V | 93.8 | Very high | 90 | Very high | 6 Ų | 6 | 66.1 Ų | 66.1 | 4% | 0.036 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -5.7 | 178.7 | -56.5 | 0 | 0 | 0 | 0 | 114.5 | I38 R40 A50 I221 V224 P256 T377 F379 | I38-V42 HydrophobicContact CG2-CG1 3.96Å; I38-V42 WeakPolarHBondContact O-CG1 3.41Å; I38-V42 WeakPolarHBondContact O-CG2 3.41Å; I38-V42 PolarHBondContact O-N 3.17Å; R40-V42 VanDerWaalsContact C-N 3.31Å; R40-V42 PolarHBondContact O-N 3.3Å; V42-A50 VanDerWaalsContact O-CB 3.31Å; V42-A50 WeakPolarHBondContact O-CB 3.46Å; V42-I221 HydrophobicContact CG2-CD1 3.56Å; V42-I221 HydrophobicContact CG2-CG1 3.78Å; V42-V224 WeakPolarHBondContact O-CG2 3.37Å; V42-P256 HydrophobicContact CG2-CB 4.23Å; V42-P256 HydrophobicContact CG2-CG 3.86Å; V42-T377 HydrophobicContact CG1-CG2 4.42Å; V42-F379 HydrophobicContact CG1-CE1 4.25Å; V42-F379 HydrophobicContact CG1-CZ 4.01Å |
| 43 | V | 96.6 | Very high | 90.2 | Very high | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -65.6 | 139.9 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 110.3 | K39 E45 T48 N216 K218 I221 | K39-V43 VanDerWaalsContact O-CG2 3.27Å; K39-V43 WeakPolarHBondContact O-CG2 3.42Å; V43-E45 HydrophobicContact CG1-CB 3.92Å; V43-E45 PolarHBondContact O-N 2.74Å; V43-T48 WeakPolarHBondContact O-CB 3.39Å; V43-T48 WeakPolarHBondContact O-CG2 3.43Å; V43-T48 PolarHBondContact O-OG1 3.37Å; V43-N216 WeakPolarHBondContact CG1-O 3.34Å; V43-K218 HydrophobicContact CG1-CB 4.19Å; V43-I221 HydrophobicContact CG2-CD1 3.72Å |
| 44 | L | 96.8 | Very high | 90.8 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -82 | 68.5 | 175 | -59 | 179.7 | 0 | 0 | 0 | 111 | A50 F51 W54 Q105 V112 V214 N216 V224 A225 | L44-A50 HydrophobicContact CD2-CB 4.14Å; L44-F51 HydrophobicContact CB-CD2 4.44Å; L44-W54 HydrophobicContact CD1-CD2 4.39Å; L44-W54 HydrophobicContact CD1-CG 4.41Å; L44-W54 HydrophobicContact CD2-CB 3.76Å; L44-W54 HydrophobicContact CD2-CD2 4.18Å; L44-W54 HydrophobicContact CD2-CG 3.69Å; L44-Q105 PolarHBondContact O-NE2 2.88Å; L44-V112 HydrophobicContact CB-CG1 4.19Å; L44-V112 HydrophobicContact CD1-CG1 4.12Å; L44-V214 HydrophobicContact CD1-CG2 4.05Å; L44-N216 HydrophobicContact CB-CB 4.09Å; L44-N216 PolarHBondContact N-O 2.78Å; L44-V224 HydrophobicContact CD1-CG2 4.35Å; L44-V224 HydrophobicContact CG-CG2 3.88Å; L44-A225 HydrophobicContact CD1-CB 4.13Å |
| 45 | E | 94.1 | Very high | 91.4 | Very high | 77 Ų | 77 | 60.9 Ų | 60.9 | 36% | 0.36 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -130.8 | 149.5 | 176.9 | -178.3 | 169.9 | -131.8 | 0 | 0 | 110.5 | V43 G47 T48 F51 K218 | V43-E45 HydrophobicContact CG1-CB 3.92Å; V43-E45 PolarHBondContact O-N 2.74Å; E45-G47 PolarHBondContact O-N 2.88Å; E45-T48 HydrophobicContact CB-CG2 4.45Å; E45-T48 WeakPolarHBondContact O-CG2 3.47Å; E45-T48 PolarHBondContact O-N 3.32Å; E45-T48 PolarHBondContact O-OG1 2.78Å; E45-T48 VanDerWaalsContact O-OG1 3.12Å; E45-F51 WeakPolarHBondContact O-CB 3.34Å; E45-F51 WeakPolarHBondContact O-CG 3.42Å; E45-K218 IonicContact OE1-NZ 3.76Å; E45-K218 PolarHBondContact OE1-NZ 3.49Å; E45-K218 IonicContact OE2-NZ 3.48Å |
| 46 | E | 92.8 | Very high | 91.6 | Very high | 158 Ų | 158 | 63.6 Ų | 63.6 | 74% | 0.738 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 132.9 | 178.9 | -74.3 | -174 | -177.2 | 0 | 0 | 112 | F51 | E46-F51 HydrophobicContact CB-CE1 4.38Å; E46-F51 HydrophobicContact CG-CD1 4.17Å; E46-F51 HydrophobicContact CG-CE1 3.54Å; E46-F51 HydrophobicContact CG-CZ 3.84Å |
| 47 | G | 88.3 | Confident | 91.5 | Very high | 53 Ų | 53 | 59.5 Ų | 59.5 | 55% | 0.546 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.4 | -26.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E45 | E45-G47 PolarHBondContact O-N 2.88Š|
| 48 | T | 91.4 | Very high | 91.2 | Very high | 14 Ų | 14 | 57.5 Ų | 57.5 | 9% | 0.086 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -73.5 | 158.9 | -179.2 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | E41 V43 E45 F51 K52 | E41-T48 WeakPolarHBondContact O-CB 3.28Å; V43-T48 WeakPolarHBondContact O-CB 3.39Å; V43-T48 WeakPolarHBondContact O-CG2 3.43Å; V43-T48 PolarHBondContact O-OG1 3.37Å; E45-T48 HydrophobicContact CB-CG2 4.45Å; E45-T48 WeakPolarHBondContact O-CG2 3.47Å; E45-T48 PolarHBondContact O-N 3.32Å; E45-T48 PolarHBondContact O-OG1 2.78Å; E45-T48 VanDerWaalsContact O-OG1 3.12Å; T48-F51 VanDerWaalsContact OG1-CB 3.32Å; T48-F51 WeakPolarHBondContact OG1-CB 3.33Å; T48-F51 PolarHBondContact OG1-N 3.46Å; T48-K52 PolarHBondContact O-N 2.9Å |
| 49 | I | 86.8 | Confident | 91.2 | Very high | 37 Ų | 37 | 58.3 Ų | 58.3 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 174 | -64 | 165.4 | 0 | 0 | 0 | 111.2 | E41 N53 Q433 | E41-I49 HydrophobicContact CB-CD1 4.4Å; E41-I49 HydrophobicContact CG-CD1 4.29Å; E41-I49 WeakPolarHBondContact OE2-CG1 3.41Å; E41-I49 PolarHBondContact OE2-N 3.17Å; I49-N53 PolarHBondContact O-N 3.34Å; I49-N53 PolarHBondContact O-ND2 3.02Å; I49-Q433 HydrophobicContact CD1-CB 4.39Å |
| 50 | A | 91 | Very high | 91.3 | Very high | 5 Ų | 5 | 57 Ų | 57 | 4% | 0.041 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -47.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | E41 V42 L44 K52 N53 W54 F379 | E41-A50 WeakPolarHBondContact O-CB 3.43Å; E41-A50 PolarHBondContact O-N 2.81Å; E41-A50 VanDerWaalsContact O-N 3.13Å; V42-A50 VanDerWaalsContact O-CB 3.31Å; V42-A50 WeakPolarHBondContact O-CB 3.46Å; L44-A50 HydrophobicContact CD2-CB 4.14Å; A50-K52 PolarHBondContact O-N 2.93Å; A50-N53 PolarHBondContact O-N 2.96Å; A50-W54 WeakPolarHBondContact O-CB 3.37Å; A50-W54 PolarHBondContact O-N 3.35Å; A50-F379 HydrophobicContact CB-CE1 4.03Å; A50-F379 HydrophobicContact CB-CZ 3.76Å |
| 51 | F | 94.5 | Very high | 91.6 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 9% | 0.088 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | -175.8 | -172.9 | -97.4 | 0 | 0 | 0 | 112 | L44 E45 E46 T48 N53 W54 V55 I103 | L44-F51 HydrophobicContact CB-CD2 4.44Å; E45-F51 WeakPolarHBondContact O-CB 3.34Å; E45-F51 WeakPolarHBondContact O-CG 3.42Å; E46-F51 HydrophobicContact CB-CE1 4.38Å; E46-F51 HydrophobicContact CG-CD1 4.17Å; E46-F51 HydrophobicContact CG-CE1 3.54Å; E46-F51 HydrophobicContact CG-CZ 3.84Å; T48-F51 VanDerWaalsContact OG1-CB 3.32Å; T48-F51 WeakPolarHBondContact OG1-CB 3.33Å; T48-F51 PolarHBondContact OG1-N 3.46Å; F51-N53 PolarHBondContact O-N 3.28Å; F51-W54 HydrophobicContact CD2-CE3 4.15Å; F51-W54 HydrophobicContact CD2-CZ3 4.41Å; F51-W54 HydrophobicContact CE2-CE3 4.15Å; F51-W54 AromaticContact CE2-CZ3 3.98Å; F51-W54 HydrophobicContact CE2-CZ3 3.98Å; F51-W54 PolarHBondContact O-N 3.17Å; F51-V55 HydrophobicContact CD1-CG2 4.01Å; F51-V55 HydrophobicContact CE1-CG2 3.67Å; F51-V55 HydrophobicContact CE2-CG2 4.23Å; F51-V55 HydrophobicContact CG-CG2 4.43Å; F51-V55 HydrophobicContact CZ-CG2 3.81Å; F51-V55 WeakPolarHBondContact O-CG2 3.42Å; F51-V55 PolarHBondContact O-N 3.02Å; F51-I103 HydrophobicContact CE2-CG2 4.25Å; F51-I103 HydrophobicContact CZ-CG2 4.1Å |
| 52 | K | 91.1 | Very high | 92 | Very high | 139 Ų | 139 | 49 Ų | 49 | 60% | 0.604 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.2 | -47.9 | 177.5 | -69.2 | 173.8 | -175.7 | 170.4 | 0 | 112.1 | T48 A50 K56 | T48-K52 PolarHBondContact O-N 2.9Å; A50-K52 PolarHBondContact O-N 2.93Å; K52-K56 PolarHBondContact O-N 2.83Å |
| 53 | N | 89.5 | Confident | 92.2 | Very high | 67 Ų | 67 | 49 Ų | 49 | 36% | 0.358 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.6 | -31.5 | 178.7 | -72.6 | -66.2 | 0 | 0 | 0 | 112.7 | I49 A50 F51 K56 T57 | I49-N53 PolarHBondContact O-N 3.34Å; I49-N53 PolarHBondContact O-ND2 3.02Å; A50-N53 PolarHBondContact O-N 2.96Å; F51-N53 PolarHBondContact O-N 3.28Å; N53-K56 CarbonylContact O-C 3.26Å; N53-K56 VanDerWaalsContact O-C 3.25Å; N53-T57 VanDerWaalsContact O-CA 3.29Å; N53-T57 WeakPolarHBondContact O-CA 3.43Å; N53-T57 PolarHBondContact O-N 3.45Å |
| 54 | W | 94.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 5% | 0.053 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.8 | -43.4 | 178.2 | 175.4 | 86.1 | 0 | 0 | 0 | 111.8 | L44 A50 F51 K100 I103 V112 F114 V214 | L44-W54 HydrophobicContact CD1-CD2 4.39Å; L44-W54 HydrophobicContact CD1-CG 4.41Å; L44-W54 HydrophobicContact CD2-CB 3.76Å; L44-W54 HydrophobicContact CD2-CD2 4.18Å; L44-W54 HydrophobicContact CD2-CG 3.69Å; A50-W54 WeakPolarHBondContact O-CB 3.37Å; A50-W54 PolarHBondContact O-N 3.35Å; F51-W54 HydrophobicContact CD2-CE3 4.15Å; F51-W54 HydrophobicContact CD2-CZ3 4.41Å; F51-W54 HydrophobicContact CE2-CE3 4.15Å; F51-W54 AromaticContact CE2-CZ3 3.98Å; F51-W54 HydrophobicContact CE2-CZ3 3.98Å; F51-W54 PolarHBondContact O-N 3.17Å; W54-K100 HydrophobicContact CD2-CD 3.8Å; W54-K100 HydrophobicContact CE3-CD 4.03Å; W54-K100 HydrophobicContact CG-CD 4.46Å; W54-K100 HydrophobicContact CH2-CD 3.94Å; W54-K100 HydrophobicContact CZ2-CD 3.74Å; W54-K100 HydrophobicContact CZ3-CD 4.08Å; W54-K100 WeakPolarHBondContact O-CD 3.36Å; W54-K100 WeakPolarHBondContact O-CE 3.48Å; W54-K100 PolarHBondContact O-NZ 3.17Å; W54-I103 HydrophobicContact CH2-CG1 4.48Å; W54-I103 HydrophobicContact CH2-CG2 4.42Å; W54-I103 HydrophobicContact CZ3-CD1 4.15Å; W54-I103 HydrophobicContact CZ3-CG1 4.18Å; W54-I103 HydrophobicContact CZ3-CG2 4.08Å; W54-V112 HydrophobicContact CH2-CG1 3.92Å; W54-V112 HydrophobicContact CH2-CG2 3.79Å; W54-V112 HydrophobicContact CZ2-CG1 4.02Å; W54-V112 HydrophobicContact CZ3-CG2 4.22Å; W54-F114 HydrophobicContact CH2-CB 3.95Å; W54-F114 AromaticContact CH2-CD1 3.6Å; W54-F114 HydrophobicContact CH2-CD1 3.6Å; W54-F114 HydrophobicContact CH2-CE1 4.27Å; W54-F114 AromaticContact CH2-CG 3.87Å; W54-F114 HydrophobicContact CH2-CG 3.87Å; W54-F114 HydrophobicContact CZ2-CB 4.42Å; W54-F114 AromaticContact CZ2-CD1 3.24Å; W54-F114 HydrophobicContact CZ2-CD1 3.24Å; W54-F114 AromaticContact CZ2-CE1 3.44Å; W54-F114 HydrophobicContact CZ2-CE1 3.44Å; W54-F114 VanDerWaalsContact CZ2-CE1 3.44Å; W54-F114 AromaticContact CZ2-CG 3.83Å; W54-F114 HydrophobicContact CZ2-CG 3.83Å; W54-F114 HydrophobicContact CZ2-CZ 4.21Å; W54-V214 HydrophobicContact CZ2-CG2 4.17Å |
| 55 | V | 94.6 | Very high | 92.4 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 20% | 0.2 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -50.9 | 176.5 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | F51 A99 K100 I103 | F51-V55 HydrophobicContact CD1-CG2 4.01Å; F51-V55 HydrophobicContact CE1-CG2 3.67Å; F51-V55 HydrophobicContact CE2-CG2 4.23Å; F51-V55 HydrophobicContact CG-CG2 4.43Å; F51-V55 HydrophobicContact CZ-CG2 3.81Å; F51-V55 WeakPolarHBondContact O-CG2 3.42Å; F51-V55 PolarHBondContact O-N 3.02Å; V55-A99 HydrophobicContact CG1-CB 4.26Å; V55-A99 CarbonylContact O-C 3.51Å; V55-A99 WeakPolarHBondContact O-CA 3.39Å; V55-K100 PolarHBondContact O-N 3.38Å; V55-I103 HydrophobicContact CB-CD1 4.26Å; V55-I103 HydrophobicContact CG1-CD1 3.86Å; V55-I103 HydrophobicContact CG2-CD1 3.56Å |
| 56 | K | 91.3 | Very high | 92.6 | Very high | 133 Ų | 133 | 48.1 Ų | 48.1 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -138.6 | 112 | 177.6 | -169.9 | 178.4 | -176.7 | 178.5 | 0 | 109.4 | K52 N53 G58 A99 | K52-K56 PolarHBondContact O-N 2.83Å; N53-K56 CarbonylContact O-C 3.26Å; N53-K56 VanDerWaalsContact O-C 3.25Å; K56-G58 PolarHBondContact O-N 3.44Å; K56-A99 HydrophobicContact CB-CB 4.02Å; K56-A99 HydrophobicContact CD-CB 4.37Å; K56-A99 HydrophobicContact CG-CB 4.26Å |
| 57 | T | 85.7 | Confident | 92.9 | Very high | 61 Ų | 61 | 40.6 Ų | 40.6 | 37% | 0.374 | 22% | 0.221 | S | C | . | . | trans | -63.7 | 136 | -178.4 | 122.7 | 0 | 0 | 0 | 0 | 110.2 | N53 T59 | N53-T57 VanDerWaalsContact O-CA 3.29Å; N53-T57 WeakPolarHBondContact O-CA 3.43Å; N53-T57 PolarHBondContact O-N 3.45Å; T57-T59 PolarHBondContact O-N 3.2Å; T57-T59 PolarHBondContact OG1-N 3.41Å; T57-T59 VanDerWaalsContact OG1-N 3.11Å; T57-T59 PolarHBondContact OG1-O 3.22Å | ||
| 58 | G | 81 | Confident | 93.4 | Very high | 35 Ų | 35 | 38.1 Ų | 38.1 | 36% | 0.361 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -75.3 | -9.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K56 | K56-G58 PolarHBondContact O-N 3.44Š|
| 59 | T | 88.9 | Confident | 93.8 | Very high | 30 Ų | 30 | 38.4 Ų | 38.4 | 18% | 0.184 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -89.4 | 135.1 | -179.8 | -67 | 0 | 0 | 0 | 0 | 110.1 | T57 V61 T421 | T57-T59 PolarHBondContact O-N 3.2Å; T57-T59 PolarHBondContact OG1-N 3.41Å; T57-T59 VanDerWaalsContact OG1-N 3.11Å; T57-T59 PolarHBondContact OG1-O 3.22Å; T59-V61 HydrophobicContact CG2-CG2 4.45Å; T59-T421 WeakPolarHBondContact CG2-O 3.31Å |
| 60 | T | 94.1 | Very high | 94.3 | Very high | 51 Ų | 51 | 36.8 Ų | 36.8 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122.5 | 169.1 | -60.3 | 0 | 0 | 0 | 0 | 108.8 | Y62 R94 | T60-Y62 HydrophobicContact CG2-CD2 4.28Å; T60-Y62 HydrophobicContact CG2-CE1 4.06Å; T60-Y62 HydrophobicContact CG2-CE2 3.61Å; T60-Y62 VanDerWaalsContact CG2-CZ 3.49Å; T60-R94 HydrophobicContact CG2-CG 4.06Å |
| 61 | V | 96.5 | Very high | 94.7 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.036 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.7 | 178.5 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | T59 V95 R96 F383 E418 T419 | T59-V61 HydrophobicContact CG2-CG2 4.45Å; V61-V95 HydrophobicContact CB-CG2 4.28Å; V61-V95 HydrophobicContact CG1-CG2 3.77Å; V61-V95 PolarHBondContact O-N 2.92Å; V61-V95 VanDerWaalsContact O-O 3.13Å; V61-R96 HydrophobicContact CB-CB 4.25Å; V61-R96 HydrophobicContact CG2-CB 4.32Å; V61-F383 HydrophobicContact CG1-CZ 3.88Å; V61-F383 HydrophobicContact CG2-CE1 4.39Å; V61-F383 HydrophobicContact CG2-CZ 4.32Å; V61-E418 HydrophobicContact CG1-CG 3.72Å; V61-T419 WeakPolarHBondContact CA-O 3.45Å |
| 62 | Y | 98.4 | Very high | 94.9 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 29% | 0.286 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 142.3 | 173.4 | -64.2 | -75 | 0 | 0 | 0 | 109.9 | T60 T92 Y93 R94 E123 L126 E418 T419 | T60-Y62 HydrophobicContact CG2-CD2 4.28Å; T60-Y62 HydrophobicContact CG2-CE1 4.06Å; T60-Y62 HydrophobicContact CG2-CE2 3.61Å; T60-Y62 VanDerWaalsContact CG2-CZ 3.49Å; Y62-T92 HydrophobicContact CD1-CG2 3.83Å; Y62-T92 HydrophobicContact CG-CG2 4.25Å; Y62-Y93 CarbonylContact C-O 3.54Å; Y62-Y93 WeakPolarHBondContact CA-O 3.41Å; Y62-R94 HydrophobicContact CD1-CB 4.24Å; Y62-R94 HydrophobicContact CE1-CB 4.15Å; Y62-R94 HydrophobicContact CE1-CG 4.43Å; Y62-E123 HydrophobicContact CD1-CG 4.44Å; Y62-E123 HydrophobicContact CE1-CG 4.08Å; Y62-L126 HydrophobicContact CD1-CD1 4.23Å; Y62-L126 HydrophobicContact CE1-CD1 3.79Å; Y62-E418 CarbonylContact O-C 3.23Å; Y62-E418 VanDerWaalsContact O-CA 3.3Å; Y62-E418 WeakPolarHBondContact O-CA 3.25Å; Y62-T419 PolarHBondContact N-O 3.11Å; Y62-T419 PolarHBondContact O-N 3.4Å |
| 63 | R | 98.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 3% | 0.026 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 114.5 | 168.3 | -170.6 | -179.7 | -68.7 | 160.4 | -2.3 | 108.1 | F65 Y93 V95 Y204 L416 N417 E418 | R63-F65 HydrophobicContact CG-CE1 3.96Å; R63-F65 HydrophobicContact CG-CE2 4.17Å; R63-F65 HydrophobicContact CG-CZ 3.71Å; R63-Y93 PolarHBondContact N-O 3.09Å; R63-Y93 PolarHBondContact O-N 2.86Å; R63-V95 HydrophobicContact CB-CG1 3.87Å; R63-V95 HydrophobicContact CB-CG2 3.85Å; R63-Y204 PolarHBondContact NH1-OH 3.27Å; R63-Y204 PolarHBondContact NH2-OH 3.04Å; R63-L416 HydrophobicContact CG-CB 4.37Å; R63-L416 HydrophobicContact CG-CD1 4.3Å; R63-N417 WeakPolarHBondContact CA-O 3.31Å; R63-E418 HydrophobicContact CG-CB 4.32Å; R63-E418 IonicContact CZ-OE2 3.11Å; R63-E418 IonicContact NE-OE2 2.6Å; R63-E418 PolarHBondContact NE-OE2 3.5Å; R63-E418 IonicContact NH2-OE2 2.82Å; R63-E418 PolarHBondContact NH2-OE2 2.87Å |
| 64 | Q | 98.8 | Very high | 95.6 | Very high | 45 Ų | 45 | 39.3 Ų | 39.3 | 21% | 0.21 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 135.7 | -179.6 | -58.1 | 177.6 | -56.9 | 0 | 0 | 108.9 | W66 P90 Y91 T92 L416 N417 | Q64-W66 HydrophobicContact CB-CE3 4.32Å; Q64-W66 HydrophobicContact CB-CH2 3.65Å; Q64-W66 HydrophobicContact CB-CZ3 3.4Å; Q64-W66 VanDerWaalsContact CB-CZ3 3.4Å; Q64-W66 HydrophobicContact CG-CH2 4.48Å; Q64-P90 HydrophobicContact CB-CB 3.91Å; Q64-P90 HydrophobicContact CG-CB 4.31Å; Q64-Y91 CarbonylContact C-O 3.47Å; Q64-Y91 WeakPolarHBondContact CA-O 3.49Å; Q64-T92 HydrophobicContact CG-CG2 4.08Å; Q64-L416 CarbonylContact O-C 3.25Å; Q64-L416 WeakPolarHBondContact O-CA 3.41Å; Q64-L416 WeakPolarHBondContact O-CB 3.48Å; Q64-N417 HydrophobicContact CB-CB 4.4Å; Q64-N417 PolarHBondContact N-O 3.48Å; Q64-N417 PolarHBondContact O-N 3.12Å; Q64-N417 PolarHBondContact OE1-ND2 3.1Å; Q64-N417 VanDerWaalsContact OE1-ND2 3.14Å |
| 65 | F | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.9 | 180 | -60.1 | -75.2 | 0 | 0 | 0 | 111.8 | R63 I67 P90 Y91 Y93 L179 W180 F201 L414 L416 | R63-F65 HydrophobicContact CG-CE1 3.96Å; R63-F65 HydrophobicContact CG-CE2 4.17Å; R63-F65 HydrophobicContact CG-CZ 3.71Å; F65-I67 HydrophobicContact CB-CD1 4.41Å; F65-P90 CarbonylContact O-C 3.56Å; F65-P90 WeakPolarHBondContact O-CA 3.38Å; F65-Y91 PolarHBondContact N-O 3.47Å; F65-Y91 PolarHBondContact O-N 3.13Å; F65-Y93 AromaticContact CD2-CD2 3.7Å; F65-Y93 HydrophobicContact CD2-CD2 3.7Å; F65-Y93 AromaticContact CD2-CE2 3.87Å; F65-Y93 HydrophobicContact CD2-CE2 3.87Å; F65-Y93 AromaticContact CE2-CD2 3.57Å; F65-Y93 HydrophobicContact CE2-CD2 3.57Å; F65-Y93 AromaticContact CE2-CE2 3.95Å; F65-Y93 HydrophobicContact CE2-CE2 3.95Å; F65-Y93 HydrophobicContact CE2-CG 4.33Å; F65-L179 HydrophobicContact CD1-CD2 4.14Å; F65-L179 HydrophobicContact CD2-CD1 3.69Å; F65-L179 HydrophobicContact CD2-CD2 4.43Å; F65-L179 HydrophobicContact CE1-CD2 4.26Å; F65-L179 HydrophobicContact CE2-CD1 3.85Å; F65-L179 HydrophobicContact CG-CD1 4.19Å; F65-L179 HydrophobicContact CG-CD2 4.22Å; F65-L179 HydrophobicContact CZ-CD1 4.46Å; F65-L179 HydrophobicContact CZ-CD2 4.42Å; F65-W180 HydrophobicContact CE2-CH2 4.47Å; F65-W180 HydrophobicContact CE2-CZ2 4.42Å; F65-W180 HydrophobicContact CZ-CH2 4.47Å; F65-F201 HydrophobicContact CD1-CE2 4.16Å; F65-F201 HydrophobicContact CE1-CD2 4.22Å; F65-F201 AromaticContact CE1-CE2 3.36Å; F65-F201 HydrophobicContact CE1-CE2 3.36Å; F65-F201 AromaticContact CE1-CZ 3.59Å; F65-F201 HydrophobicContact CE1-CZ 3.59Å; F65-F201 HydrophobicContact CZ-CD2 4.31Å; F65-F201 AromaticContact CZ-CE2 3.88Å; F65-F201 HydrophobicContact CZ-CE2 3.88Å; F65-F201 HydrophobicContact CZ-CZ 4.28Å; F65-L414 HydrophobicContact CD1-CD1 4.24Å; F65-L416 HydrophobicContact CD1-CB 3.71Å; F65-L416 HydrophobicContact CD1-CD2 4.49Å; F65-L416 HydrophobicContact CE1-CB 3.91Å; F65-L416 HydrophobicContact CE1-CD2 3.98Å |
| 66 | W | 98.9 | Very high | 95.9 | Very high | 30 Ų | 30 | 40.7 Ų | 40.7 | 11% | 0.114 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.6 | 167.1 | -72.5 | -105.9 | 0 | 0 | 0 | 108.7 | Q64 R88 P90 L414 W415 N417 | Q64-W66 HydrophobicContact CB-CE3 4.32Å; Q64-W66 HydrophobicContact CB-CH2 3.65Å; Q64-W66 HydrophobicContact CB-CZ3 3.4Å; Q64-W66 VanDerWaalsContact CB-CZ3 3.4Å; Q64-W66 HydrophobicContact CG-CH2 4.48Å; W66-R88 WeakPolarHBondContact CA-O 3.36Å; W66-P90 HydrophobicContact CD2-CB 4.45Å; W66-P90 HydrophobicContact CH2-CB 3.82Å; W66-P90 HydrophobicContact CZ2-CB 3.58Å; W66-P90 HydrophobicContact CZ2-CG 4.06Å; W66-P90 HydrophobicContact CZ3-CB 4.35Å; W66-L414 CarbonylContact O-C 3.56Å; W66-L414 WeakPolarHBondContact O-CA 3.15Å; W66-L414 VanDerWaalsContact O-CB 3.27Å; W66-L414 WeakPolarHBondContact O-CB 3.45Å; W66-W415 HydrophobicContact CB-CD2 4.12Å; W66-W415 HydrophobicContact CB-CG 4.19Å; W66-W415 HydrophobicContact CB-CZ2 4.08Å; W66-W415 VanDerWaalsContact CB-NE1 3.29Å; W66-W415 AromaticContact CD1-CZ2 3.99Å; W66-W415 HydrophobicContact CD2-CD2 4.27Å; W66-W415 AromaticContact CD2-CE2 3.64Å; W66-W415 AromaticContact CD2-CH2 3.59Å; W66-W415 HydrophobicContact CD2-CH2 3.59Å; W66-W415 AromaticContact CD2-CZ2 3.26Å; W66-W415 HydrophobicContact CD2-CZ2 3.26Å; W66-W415 HydrophobicContact CD2-CZ3 4.22Å; W66-W415 AromaticContact CE2-CH2 3.82Å; W66-W415 AromaticContact CE2-CZ2 3.62Å; W66-W415 AromaticContact CE3-CD2 3.91Å; W66-W415 HydrophobicContact CE3-CD2 3.91Å; W66-W415 AromaticContact CE3-CE2 3.74Å; W66-W415 AromaticContact CE3-CE3 3.79Å; W66-W415 HydrophobicContact CE3-CE3 3.79Å; W66-W415 AromaticContact CE3-CH2 3.33Å; W66-W415 HydrophobicContact CE3-CH2 3.33Å; W66-W415 AromaticContact CE3-CZ2 3.45Å; W66-W415 HydrophobicContact CE3-CZ2 3.45Å; W66-W415 VanDerWaalsContact CE3-CZ2 3.45Å; W66-W415 AromaticContact CE3-CZ3 3.52Å; W66-W415 HydrophobicContact CE3-CZ3 3.52Å; W66-W415 HydrophobicContact CG-CD2 4.39Å; W66-W415 AromaticContact CG-CE2 3.58Å; W66-W415 HydrophobicContact CG-CH2 4.35Å; W66-W415 AromaticContact CG-CZ2 3.56Å; W66-W415 HydrophobicContact CG-CZ2 3.56Å; W66-W415 AromaticContact CG-NE1 3.72Å; W66-W415 AromaticContact CH2-CH2 3.64Å; W66-W415 HydrophobicContact CH2-CH2 3.64Å; W66-W415 HydrophobicContact CH2-CZ2 4.29Å; W66-W415 HydrophobicContact CH2-CZ3 4.12Å; W66-W415 AromaticContact CZ2-CH2 3.86Å; W66-W415 HydrophobicContact CZ2-CH2 3.86Å; W66-W415 HydrophobicContact CZ2-CZ2 4.13Å; W66-W415 HydrophobicContact CZ3-CE3 4.13Å; W66-W415 AromaticContact CZ3-CH2 3.36Å; W66-W415 HydrophobicContact CZ3-CH2 3.36Å; W66-W415 AromaticContact CZ3-CZ2 3.97Å; W66-W415 HydrophobicContact CZ3-CZ2 3.97Å; W66-W415 AromaticContact CZ3-CZ3 3.46Å; W66-W415 HydrophobicContact CZ3-CZ3 3.46Å; W66-W415 VanDerWaalsContact CZ3-CZ3 3.46Å; W66-W415 PolarHBondContact N-O 2.91Å; W66-W415 PolarHBondContact O-N 2.95Å; W66-N417 HydrophobicContact CH2-CB 4.3Å; W66-N417 HydrophobicContact CZ3-CB 3.85Å |
| 67 | I | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 136.1 | -178.9 | -47.6 | -54 | 0 | 0 | 0 | 109.1 | F65 D69 Q87 R88 F135 V137 L175 L178 L414 | F65-I67 HydrophobicContact CB-CD1 4.41Å; I67-D69 PolarHBondContact O-N 3.31Å; I67-Q87 CarbonylContact O-C 3.49Å; I67-Q87 WeakPolarHBondContact O-CA 3.28Å; I67-R88 PolarHBondContact N-O 3.4Å; I67-R88 PolarHBondContact O-N 3.34Å; I67-F135 HydrophobicContact CB-CD1 3.83Å; I67-F135 HydrophobicContact CB-CD2 4.44Å; I67-F135 HydrophobicContact CB-CE1 3.89Å; I67-F135 HydrophobicContact CB-CG 4.11Å; I67-F135 HydrophobicContact CB-CZ 4.23Å; I67-F135 HydrophobicContact CG1-CD1 4.39Å; I67-F135 HydrophobicContact CG1-CD2 4.31Å; I67-F135 HydrophobicContact CG1-CE1 4.12Å; I67-F135 HydrophobicContact CG1-CE2 4.04Å; I67-F135 HydrophobicContact CG1-CG 4.47Å; I67-F135 HydrophobicContact CG1-CZ 3.93Å; I67-F135 HydrophobicContact CG2-CB 3.98Å; I67-F135 HydrophobicContact CG2-CD1 3.84Å; I67-F135 HydrophobicContact CG2-CD2 4.16Å; I67-F135 HydrophobicContact CG2-CE1 4.39Å; I67-F135 HydrophobicContact CG2-CG 3.7Å; I67-V137 HydrophobicContact CG2-CG1 3.99Å; I67-L175 HydrophobicContact CD1-CD1 3.84Å; I67-L175 HydrophobicContact CG1-CD1 3.68Å; I67-L178 HydrophobicContact CD1-CD2 4.21Å; I67-L178 HydrophobicContact CG2-CD2 3.87Å; I67-L414 HydrophobicContact CD1-CB 3.61Å; I67-L414 HydrophobicContact CD1-CD2 3.76Å; I67-L414 HydrophobicContact CD1-CG 4.37Å |
| 68 | F | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 96.2 | 172.4 | -72.3 | -72.8 | 0 | 0 | 0 | 109.8 | V70 V85 Q87 H345 L360 Q388 P412 I413 W415 | F68-V70 PolarHBondContact O-N 2.71Å; F68-V85 HydrophobicContact CB-CB 4.08Å; F68-V85 HydrophobicContact CB-CG1 4.17Å; F68-V85 HydrophobicContact CD1-CB 4.05Å; F68-V85 HydrophobicContact CD1-CG2 3.72Å; F68-V85 HydrophobicContact CE1-CG2 4.37Å; F68-V85 HydrophobicContact CG-CB 4.5Å; F68-V85 HydrophobicContact CG-CG2 4.47Å; F68-Q87 HydrophobicContact CD1-CB 4.32Å; F68-Q87 HydrophobicContact CE1-CB 4.22Å; F68-H345 AromaticContact CE1-CE1 3.7Å; F68-H345 AromaticContact CE1-NE2 3.98Å; F68-H345 AromaticContact CZ-CE1 3.99Å; F68-H345 AromaticContact CZ-NE2 3.89Å; F68-L360 HydrophobicContact CD1-CD2 4.36Å; F68-L360 HydrophobicContact CE1-CD2 3.72Å; F68-L360 HydrophobicContact CZ-CD2 4.09Å; F68-Q388 HydrophobicContact CE2-CG 4.24Å; F68-Q388 VanDerWaalsContact CE2-OE1 3.26Å; F68-P412 HydrophobicContact CD2-CB 3.61Å; F68-P412 HydrophobicContact CD2-CG 4.2Å; F68-P412 HydrophobicContact CE2-CB 3.85Å; F68-P412 HydrophobicContact CG-CB 4.16Å; F68-P412 HydrophobicContact CG-CG 4.25Å; F68-I413 PolarHBondContact N-O 2.98Å; F68-W415 HydrophobicContact CE2-CB 4.41Å; F68-W415 AromaticContact CE2-CD1 3.67Å; F68-W415 HydrophobicContact CE2-CG 4.44Å; F68-W415 AromaticContact CZ-CD1 3.59Å |
| 69 | D | 98.8 | Very high | 97.4 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 118.3 | 179.5 | -161.1 | 1 | 0 | 0 | 0 | 109.9 | I67 Q71 V85 K86 R88 F135 T136 | I67-D69 PolarHBondContact O-N 3.31Å; D69-Q71 PolarHBondContact O-NE2 3.43Å; D69-V85 CarbonylContact O-C 3.34Å; D69-V85 WeakPolarHBondContact O-CA 3.45Å; D69-K86 WeakPolarHBondContact CB-O 3.46Å; D69-K86 PolarHBondContact N-O 2.92Å; D69-K86 PolarHBondContact O-N 2.96Å; D69-R88 WeakPolarHBondContact OD2-CD 3.31Å; D69-R88 IonicContact OD2-CZ 2.73Å; D69-R88 IonicContact OD2-NH1 2.69Å; D69-R88 PolarHBondContact OD2-NH1 2.9Å; D69-F135 HydrophobicContact CB-CD1 4.23Å; D69-T136 PolarHBondContact OD1-N 2.87Å |
| 70 | V | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.018 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 123.9 | -175.7 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | F68 P73 I83 V85 T136 F170 | F68-V70 PolarHBondContact O-N 2.71Å; V70-P73 HydrophobicContact CG1-CB 4.24Å; V70-I83 HydrophobicContact CG1-CG2 3.91Å; V70-I83 HydrophobicContact CG2-CG2 4.15Å; V70-V85 HydrophobicContact CG2-CG1 4.34Å; V70-T136 HydrophobicContact CB-CG2 4.15Å; V70-T136 WeakPolarHBondContact CB-O 3.42Å; V70-T136 WeakPolarHBondContact CG2-O 3.38Å; V70-T136 PolarHBondContact N-O 2.97Å; V70-T136 WeakPolarHBondContact O-CB 3.4Å; V70-F170 HydrophobicContact CB-CD1 4.36Å; V70-F170 HydrophobicContact CB-CE1 4.32Å; V70-F170 HydrophobicContact CG1-CD1 4.17Å; V70-F170 HydrophobicContact CG1-CE1 3.87Å; V70-F170 HydrophobicContact CG1-CZ 4.25Å; V70-F170 HydrophobicContact CG2-CD1 4.12Å; V70-F170 HydrophobicContact CG2-CE1 3.86Å |
| 71 | Q | 98.8 | Very high | 97.9 | Very high | 104 Ų | 104 | 39.1 Ų | 39.1 | 49% | 0.486 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -94.6 | -19.6 | -171.9 | -53.5 | -59.6 | -68.2 | 0 | 0 | 113.6 | D69 K84 K86 | D69-Q71 PolarHBondContact O-NE2 3.43Å; Q71-K84 HydrophobicContact CB-CB 4.03Å; Q71-K84 PolarHBondContact N-O 2.94Å; Q71-K86 HydrophobicContact CG-CB 4.2Å |
| 72 | N | 98.5 | Very high | 98 | Very high | 15 Ų | 15 | 42.7 Ų | 42.7 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | trans | -133.2 | 50.6 | -177.2 | 67.8 | -28.8 | 0 | 0 | 0 | 113.8 | E74 E75 V76 K82 K84 | N72-E74 VanDerWaalsContact C-N 3.34Å; N72-E74 PolarHBondContact O-N 3.34Å; N72-E75 HydrophobicContact CB-CB 4.12Å; N72-E75 PolarHBondContact ND2-OE2 3.5Å; N72-E75 PolarHBondContact O-N 3.39Å; N72-V76 WeakPolarHBondContact O-CG2 3.15Å; N72-V76 PolarHBondContact O-N 2.86Å; N72-K82 PolarHBondContact ND2-O 3.4Å; N72-K84 HydrophobicContact CB-CD 4.34Å; N72-K84 WeakPolarHBondContact OD1-CB 3.47Å; N72-K84 PolarHBondContact OD1-N 2.88Å | ||
| 73 | P | 98.1 | Very high | 98 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 24% | 0.24 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -40.8 | -172.4 | 27.1 | -37.9 | 0 | 0 | 0 | 113.6 | V70 A77 T136 F170 | V70-P73 HydrophobicContact CG1-CB 4.24Å; P73-A77 WeakPolarHBondContact O-CB 3.29Å; P73-A77 PolarHBondContact O-N 3.13Å; P73-T136 HydrophobicContact CB-CG2 3.98Å; P73-T136 HydrophobicContact CG-CG2 3.98Å; P73-F170 HydrophobicContact CB-CB 3.83Å; P73-F170 HydrophobicContact CB-CD1 4.42Å; P73-F170 HydrophobicContact CB-CD2 3.58Å; P73-F170 HydrophobicContact CB-CE2 4.25Å; P73-F170 HydrophobicContact CB-CG 3.68Å; P73-F170 WeakPolarHBondContact O-CD2 3.47Å; P73-F170 WeakPolarHBondContact O-CE2 3.48Å |
| 74 | E | 97.5 | Very high | 98 | Very high | 127 Ų | 127 | 42.8 Ų | 42.8 | 59% | 0.593 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -68.5 | -40.3 | -179.5 | -68.1 | -163.7 | -156.5 | 0 | 0 | 113 | N72 V76 A77 K78 | N72-E74 VanDerWaalsContact C-N 3.34Å; N72-E74 PolarHBondContact O-N 3.34Å; E74-V76 VanDerWaalsContact C-N 3.3Å; E74-V76 PolarHBondContact O-N 3.12Å; E74-A77 PolarHBondContact O-N 3.04Å; E74-K78 VanDerWaalsContact O-CB 3.31Å; E74-K78 WeakPolarHBondContact O-CB 3.22Å; E74-K78 WeakPolarHBondContact O-CG 3.24Å; E74-K78 PolarHBondContact O-N 3.15Å; E74-K78 IonicContact OE2-NZ 2.79Å; E74-K78 PolarHBondContact OE2-NZ 2.93Å |
| 75 | E | 97.8 | Very high | 98 | Very high | 77 Ų | 77 | 41.1 Ų | 41.1 | 36% | 0.36 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 179.5 | -163.5 | -162.8 | 157.4 | 0 | 0 | 110.1 | N72 N79 S81 K84 | N72-E75 HydrophobicContact CB-CB 4.12Å; N72-E75 PolarHBondContact ND2-OE2 3.5Å; N72-E75 PolarHBondContact O-N 3.39Å; E75-N79 WeakPolarHBondContact O-CA 3.42Å; E75-N79 VanDerWaalsContact O-CB 3.28Å; E75-N79 WeakPolarHBondContact O-CB 3.34Å; E75-N79 PolarHBondContact O-N 2.83Å; E75-S81 WeakPolarHBondContact CG-OG 3.29Å; E75-S81 PolarHBondContact O-OG 3.02Å; E75-S81 VanDerWaalsContact OE1-CB 3.31Å; E75-S81 WeakPolarHBondContact OE1-CB 3.34Å; E75-S81 PolarHBondContact OE1-OG 2.96Å; E75-K84 IonicContact OE2-NZ 3.98Å |
| 76 | V | 97.6 | Very high | 98 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65 | -49.3 | 176.7 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | N72 E74 K78 S80 S81 I83 M169 F170 | N72-V76 WeakPolarHBondContact O-CG2 3.15Å; N72-V76 PolarHBondContact O-N 2.86Å; E74-V76 VanDerWaalsContact C-N 3.3Å; E74-V76 PolarHBondContact O-N 3.12Å; V76-K78 VanDerWaalsContact C-N 3.35Å; V76-K78 PolarHBondContact O-N 2.79Å; V76-S80 VanDerWaalsContact O-CA 3.23Å; V76-S80 WeakPolarHBondContact O-CA 3.31Å; V76-S80 PolarHBondContact O-N 2.99Å; V76-S81 PolarHBondContact N-OG 2.96Å; V76-I83 HydrophobicContact CG1-CD1 4.31Å; V76-I83 HydrophobicContact CG1-CG1 3.93Å; V76-I83 HydrophobicContact CG2-CB 4.29Å; V76-I83 HydrophobicContact CG2-CG1 3.89Å; V76-M169 HydrophobicContact CG1-CE 3.79Å; V76-M169 HydrophobicContact CG1-SD 4.27Å; V76-F170 HydrophobicContact CB-CE2 3.88Å; V76-F170 HydrophobicContact CB-CZ 4.12Å; V76-F170 HydrophobicContact CG1-CE2 3.89Å; V76-F170 HydrophobicContact CG1-CZ 3.89Å |
| 77 | A | 95.5 | Very high | 98 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 19% | 0.19 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -32.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P73 E74 M169 N404 | P73-A77 WeakPolarHBondContact O-CB 3.29Å; P73-A77 PolarHBondContact O-N 3.13Å; E74-A77 PolarHBondContact O-N 3.04Å; A77-M169 HydrophobicContact CB-CB 4.33Å; A77-M169 HydrophobicContact CB-SD 4.15Å; A77-N404 WeakPolarHBondContact O-CB 3.36Å |
| 78 | K | 95.4 | Very high | 98 | Very high | 121 Ų | 121 | 52.5 Ų | 52.5 | 53% | 0.526 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -90.5 | -45.8 | -179.2 | -69.2 | 171.2 | -179.8 | 163.9 | 0 | 112.8 | E74 V76 N404 | E74-K78 VanDerWaalsContact O-CB 3.31Å; E74-K78 WeakPolarHBondContact O-CB 3.22Å; E74-K78 WeakPolarHBondContact O-CG 3.24Å; E74-K78 PolarHBondContact O-N 3.15Å; E74-K78 IonicContact OE2-NZ 2.79Å; E74-K78 PolarHBondContact OE2-NZ 2.93Å; V76-K78 VanDerWaalsContact C-N 3.35Å; V76-K78 PolarHBondContact O-N 2.79Å; K78-N404 WeakPolarHBondContact O-CB 3.44Å |
| 79 | N | 96.9 | Very high | 97.9 | Very high | 104 Ų | 104 | 53.4 Ų | 53.4 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -107.6 | -6.7 | -168.1 | -59.2 | -22.3 | 0 | 0 | 0 | 113.3 | E75 S81 | E75-N79 WeakPolarHBondContact O-CA 3.42Å; E75-N79 VanDerWaalsContact O-CB 3.28Å; E75-N79 WeakPolarHBondContact O-CB 3.34Å; E75-N79 PolarHBondContact O-N 2.83Å; N79-S81 VanDerWaalsContact C-N 3.27Å; N79-S81 PolarHBondContact O-N 2.97Å |
| 80 | S | 97.1 | Very high | 97.9 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | trans | 55.9 | 43.1 | -171.7 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | V76 K406 Y409 | V76-S80 VanDerWaalsContact O-CA 3.23Å; V76-S80 WeakPolarHBondContact O-CA 3.31Å; V76-S80 PolarHBondContact O-N 2.99Å; S80-K406 PolarHBondContact OG-N 2.9Å; S80-Y409 VanDerWaalsContact C-OH 3.28Å; S80-Y409 PolarHBondContact O-OH 3.16Å; S80-Y409 PolarHBondContact OG-OH 3.23Å | ||
| 81 | S | 97.9 | Very high | 97.9 | Very high | 18 Ų | 18 | 54 Ų | 54 | 13% | 0.126 | 27% | 0.266 | C | S | . | . | trans | -74 | 175.6 | 176.9 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | E75 V76 N79 Y409 | E75-S81 WeakPolarHBondContact CG-OG 3.29Å; E75-S81 PolarHBondContact O-OG 3.02Å; E75-S81 VanDerWaalsContact OE1-CB 3.31Å; E75-S81 WeakPolarHBondContact OE1-CB 3.34Å; E75-S81 PolarHBondContact OE1-OG 2.96Å; V76-S81 PolarHBondContact N-OG 2.96Å; N79-S81 VanDerWaalsContact C-N 3.27Å; N79-S81 PolarHBondContact O-N 2.97Å; S81-Y409 PolarHBondContact O-OH 2.99Å | ||
| 82 | K | 98.3 | Very high | 97.9 | Very high | 81 Ų | 81 | 49.1 Ų | 49.1 | 35% | 0.352 | 24% | 0.243 | S | C | . | . | trans | -67.1 | 141.8 | 169.8 | -67.5 | -172.9 | 178.1 | -155.1 | 0 | 110 | N72 K84 E355 P356 | N72-K82 PolarHBondContact ND2-O 3.4Å; K82-K84 PolarHBondContact O-N 2.87Å; K82-E355 WeakPolarHBondContact CD-O 3.47Å; K82-E355 VanDerWaalsContact CE-O 3.23Å; K82-E355 WeakPolarHBondContact CE-O 3.23Å; K82-E355 PolarHBondContact NZ-O 3.44Å; K82-E355 IonicContact NZ-OE1 3.99Å; K82-E355 PolarHBondContact NZ-OE1 2.68Å; K82-P356 CarbonylContact C-O 3.59Å; K82-P356 VanDerWaalsContact CA-O 3.28Å; K82-P356 WeakPolarHBondContact CA-O 3.31Å; K82-P356 WeakPolarHBondContact CB-O 3.45Å | ||
| 83 | I | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 114.7 | 179.7 | -49.6 | -175.4 | 0 | 0 | 0 | 108.4 | V70 V76 V85 P356 I357 Q358 Y409 V411 | V70-I83 HydrophobicContact CG1-CG2 3.91Å; V70-I83 HydrophobicContact CG2-CG2 4.15Å; V76-I83 HydrophobicContact CG1-CD1 4.31Å; V76-I83 HydrophobicContact CG1-CG1 3.93Å; V76-I83 HydrophobicContact CG2-CB 4.29Å; V76-I83 HydrophobicContact CG2-CG1 3.89Å; I83-V85 HydrophobicContact CG2-CG1 3.92Å; I83-P356 PolarHBondContact N-O 2.9Å; I83-I357 HydrophobicContact CB-CD1 3.86Å; I83-I357 HydrophobicContact CD1-CD1 3.87Å; I83-I357 HydrophobicContact CG1-CD1 4.02Å; I83-I357 CarbonylContact O-C 3.57Å; I83-I357 WeakPolarHBondContact O-CA 3.26Å; I83-Q358 PolarHBondContact O-N 3.44Å; I83-Y409 HydrophobicContact CD1-CD1 3.71Å; I83-Y409 HydrophobicContact CD1-CE1 4.36Å; I83-Y409 HydrophobicContact CD1-CG 4.08Å; I83-Y409 HydrophobicContact CG1-CD1 3.88Å; I83-Y409 HydrophobicContact CG1-CE1 4.07Å; I83-V411 HydrophobicContact CD1-CB 4.27Å; I83-V411 HydrophobicContact CD1-CG1 3.75Å; I83-V411 HydrophobicContact CD1-CG2 3.62Å |
| 84 | K | 98.8 | Very high | 98 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 121.4 | 173.7 | -65.4 | 172.5 | -176.2 | 166.1 | 0 | 108.3 | Q71 N72 E75 K82 Q358 | Q71-K84 HydrophobicContact CB-CB 4.03Å; Q71-K84 PolarHBondContact N-O 2.94Å; N72-K84 HydrophobicContact CB-CD 4.34Å; N72-K84 WeakPolarHBondContact OD1-CB 3.47Å; N72-K84 PolarHBondContact OD1-N 2.88Å; E75-K84 IonicContact OE2-NZ 3.98Å; K82-K84 PolarHBondContact O-N 2.87Å; K84-Q358 WeakPolarHBondContact CA-O 3.35Å; K84-Q358 VanDerWaalsContact CE-OE1 3.27Å; K84-Q358 HydrophobicContact CG-CB 4.14Å; K84-Q358 HydrophobicContact CG-CG 4.43Å |
| 85 | V | 98.8 | Very high | 97.9 | Very high | 9 Ų | 9 | 45.1 Ų | 45.1 | 6% | 0.055 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 148.8 | 178.7 | -63 | 0 | 0 | 0 | 0 | 111 | F68 D69 V70 I83 I357 Q358 L360 | F68-V85 HydrophobicContact CB-CB 4.08Å; F68-V85 HydrophobicContact CB-CG1 4.17Å; F68-V85 HydrophobicContact CD1-CB 4.05Å; F68-V85 HydrophobicContact CD1-CG2 3.72Å; F68-V85 HydrophobicContact CE1-CG2 4.37Å; F68-V85 HydrophobicContact CG-CB 4.5Å; F68-V85 HydrophobicContact CG-CG2 4.47Å; D69-V85 CarbonylContact O-C 3.34Å; D69-V85 WeakPolarHBondContact O-CA 3.45Å; V70-V85 HydrophobicContact CG2-CG1 4.34Å; I83-V85 HydrophobicContact CG2-CG1 3.92Å; V85-I357 HydrophobicContact CG1-CG2 4.31Å; V85-I357 HydrophobicContact CG2-CG2 3.79Å; V85-Q358 WeakPolarHBondContact CG2-O 3.46Å; V85-Q358 PolarHBondContact N-O 2.9Å; V85-L360 HydrophobicContact CG2-CD2 4.03Å |
| 86 | K | 98.6 | Very high | 97.8 | Very high | 133 Ų | 133 | 45.2 Ų | 45.2 | 58% | 0.578 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123 | 168.2 | -173.9 | 178.5 | -179.4 | -179.2 | 0 | 108.4 | D69 Q71 | D69-K86 WeakPolarHBondContact CB-O 3.46Å; D69-K86 PolarHBondContact N-O 2.92Å; D69-K86 PolarHBondContact O-N 2.96Å; Q71-K86 HydrophobicContact CG-CB 4.2Å |
| 87 | Q | 98.2 | Very high | 97.7 | Very high | 65 Ų | 65 | 48.6 Ų | 48.6 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 140.1 | 175.2 | 72.7 | 167.2 | 11 | 0 | 0 | 111.2 | I67 F68 H345 | I67-Q87 CarbonylContact O-C 3.49Å; I67-Q87 WeakPolarHBondContact O-CA 3.28Å; F68-Q87 HydrophobicContact CD1-CB 4.32Å; F68-Q87 HydrophobicContact CE1-CB 4.22Å; Q87-H345 PolarHBondContact OE1-CE1 3.26Å; Q87-H345 PolarHBondContact OE1-NE2 3.06Å |
| 88 | R | 98.7 | Very high | 97.7 | Very high | 72 Ų | 72 | 50.2 Ų | 50.2 | 27% | 0.272 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 121.6 | 174.7 | -73.6 | 175.1 | 61.8 | -155.8 | -7.1 | 109.6 | W66 I67 D69 D133 N134 F135 | W66-R88 WeakPolarHBondContact CA-O 3.36Å; I67-R88 PolarHBondContact N-O 3.4Å; I67-R88 PolarHBondContact O-N 3.34Å; D69-R88 WeakPolarHBondContact OD2-CD 3.31Å; D69-R88 IonicContact OD2-CZ 2.73Å; D69-R88 IonicContact OD2-NH1 2.69Å; D69-R88 PolarHBondContact OD2-NH1 2.9Å; R88-D133 IonicContact NH2-OD2 2.81Å; R88-D133 PolarHBondContact NH2-OD2 3.43Å; R88-N134 PolarHBondContact NH1-O 3.02Å; R88-F135 HydrophobicContact CB-CD1 4.48Å; R88-F135 HydrophobicContact CB-CE1 3.78Å; R88-F135 VanDerWaalsContact CZ-CE1 3.45Å |
| 89 | G | 98.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 46.1 Ų | 46.1 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170 | -175.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 90 | P | 98.5 | Very high | 97.8 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 23% | 0.227 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -76.5 | 147.2 | -0.3 | 28.7 | -32.8 | 0 | 0 | 0 | 113 | Q64 F65 W66 S127 V128 | Q64-P90 HydrophobicContact CB-CB 3.91Å; Q64-P90 HydrophobicContact CG-CB 4.31Å; F65-P90 CarbonylContact O-C 3.56Å; F65-P90 WeakPolarHBondContact O-CA 3.38Å; W66-P90 HydrophobicContact CD2-CB 4.45Å; W66-P90 HydrophobicContact CH2-CB 3.82Å; W66-P90 HydrophobicContact CZ2-CB 3.58Å; W66-P90 HydrophobicContact CZ2-CG 4.06Å; W66-P90 HydrophobicContact CZ3-CB 4.35Å; P90-S127 WeakPolarHBondContact O-CA 3.24Å; P90-V128 PolarHBondContact O-N 2.81Å |
| 91 | Y | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 45.9 Ų | 45.9 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 114.6 | 156.5 | -62.7 | -88.7 | 0 | 0 | 0 | 108.4 | Q64 F65 F122 V128 T130 D133 F135 L175 | Q64-Y91 CarbonylContact C-O 3.47Å; Q64-Y91 WeakPolarHBondContact CA-O 3.49Å; F65-Y91 PolarHBondContact N-O 3.47Å; F65-Y91 PolarHBondContact O-N 3.13Å; Y91-F122 HydrophobicContact CD1-CE2 4.41Å; Y91-V128 HydrophobicContact CE1-CG1 4.22Å; Y91-V128 HydrophobicContact CE2-CG1 4.06Å; Y91-T130 WeakPolarHBondContact CE1-O 3.41Å; Y91-D133 HydrophobicContact CE1-CB 4.14Å; Y91-D133 WeakPolarHBondContact OH-CB 3.35Å; Y91-D133 PolarHBondContact OH-OD2 2.93Å; Y91-F135 HydrophobicContact CD2-CZ 4.48Å; Y91-F135 HydrophobicContact CE2-CE1 4.13Å; Y91-F135 AromaticContact CE2-CZ 3.52Å; Y91-F135 HydrophobicContact CE2-CZ 3.52Å; Y91-F135 AromaticContact CZ-CZ 3.59Å; Y91-F135 WeakPolarHBondContact OH-CZ 3.26Å; Y91-L175 HydrophobicContact CD1-CD1 4.43Å; Y91-L175 HydrophobicContact CD1-CD2 3.43Å; Y91-L175 VanDerWaalsContact CD1-CD2 3.43Å; Y91-L175 HydrophobicContact CD1-CG 4.46Å; Y91-L175 HydrophobicContact CD2-CD1 3.79Å; Y91-L175 HydrophobicContact CD2-CD2 4.21Å; Y91-L175 HydrophobicContact CE1-CD2 4.16Å; Y91-L175 HydrophobicContact CE2-CD1 4.26Å; Y91-L175 HydrophobicContact CG-CD1 3.9Å; Y91-L175 HydrophobicContact CG-CD2 3.45Å; Y91-L175 VanDerWaalsContact CG-CD2 3.45Å; Y91-L175 HydrophobicContact CG-CG 4.3Å |
| 92 | T | 98.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.8 | -165.1 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | Y62 Q64 F122 E123 L126 S127 | Y62-T92 HydrophobicContact CD1-CG2 3.83Å; Y62-T92 HydrophobicContact CG-CG2 4.25Å; Q64-T92 HydrophobicContact CG-CG2 4.08Å; T92-F122 WeakPolarHBondContact O-CD2 3.32Å; T92-E123 HydrophobicContact CG2-CB 4.27Å; T92-E123 PolarHBondContact O-N 2.88Å; T92-L126 WeakPolarHBondContact CB-O 3.36Å; T92-L126 HydrophobicContact CG2-CB 3.82Å; T92-L126 HydrophobicContact CG2-CD1 4.11Å; T92-L126 PolarHBondContact OG1-O 3.16Å; T92-S127 PolarHBondContact N-OG 2.92Å |
| 93 | Y | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.6 | 172.4 | -68.2 | -104.6 | 0 | 0 | 0 | 110.1 | Y62 R63 F65 A120 I121 F122 E131 L175 L179 W180 | Y62-Y93 CarbonylContact C-O 3.54Å; Y62-Y93 WeakPolarHBondContact CA-O 3.41Å; R63-Y93 PolarHBondContact N-O 3.09Å; R63-Y93 PolarHBondContact O-N 2.86Å; F65-Y93 AromaticContact CD2-CD2 3.7Å; F65-Y93 HydrophobicContact CD2-CD2 3.7Å; F65-Y93 AromaticContact CD2-CE2 3.87Å; F65-Y93 HydrophobicContact CD2-CE2 3.87Å; F65-Y93 AromaticContact CE2-CD2 3.57Å; F65-Y93 HydrophobicContact CE2-CD2 3.57Å; F65-Y93 AromaticContact CE2-CE2 3.95Å; F65-Y93 HydrophobicContact CE2-CE2 3.95Å; F65-Y93 HydrophobicContact CE2-CG 4.33Å; Y93-A120 HydrophobicContact CD1-CB 3.92Å; Y93-A120 HydrophobicContact CG-CB 4.4Å; Y93-I121 CarbonylContact C-O 3.58Å; Y93-I121 WeakPolarHBondContact CA-O 3.22Å; Y93-F122 VanDerWaalsContact CD1-CA 3.5Å; Y93-F122 HydrophobicContact CD1-CB 3.88Å; Y93-F122 HydrophobicContact CD1-CD2 4.22Å; Y93-F122 HydrophobicContact CD2-CD2 4.08Å; Y93-F122 HydrophobicContact CE1-CB 3.6Å; Y93-F122 AromaticContact CE1-CD2 3.82Å; Y93-F122 HydrophobicContact CE1-CD2 3.82Å; Y93-F122 HydrophobicContact CE1-CG 4.14Å; Y93-F122 AromaticContact CE2-CD2 3.66Å; Y93-F122 HydrophobicContact CE2-CD2 3.66Å; Y93-F122 HydrophobicContact CE2-CE2 4.21Å; Y93-F122 HydrophobicContact CG-CD2 4.35Å; Y93-F122 AromaticContact CZ-CD2 3.53Å; Y93-E131 PolarHBondContact OH-OE1 2.87Å; Y93-L175 HydrophobicContact CE2-CD2 4.29Å; Y93-L179 HydrophobicContact CE2-CD1 3.82Å; Y93-W180 AromaticContact CD1-CZ2 3.73Å; Y93-W180 HydrophobicContact CD1-CZ2 3.73Å; Y93-W180 HydrophobicContact CD2-CZ2 4.34Å; Y93-W180 AromaticContact CE1-CE2 3.78Å; Y93-W180 AromaticContact CE1-CZ2 3.5Å; Y93-W180 HydrophobicContact CE1-CZ2 3.5Å; Y93-W180 AromaticContact CE1-NE1 3.48Å; Y93-W180 HydrophobicContact CE2-CZ2 4.16Å; Y93-W180 HydrophobicContact CG-CZ2 4.13Å; Y93-W180 AromaticContact CZ-CE2 3.92Å; Y93-W180 AromaticContact CZ-CZ2 3.72Å; Y93-W180 AromaticContact CZ-NE1 3.49Å; Y93-W180 PolarHBondContact OH-NE1 3.34Å; Y93-W180 VanDerWaalsContact OH-NE1 3.11Å |
| 94 | R | 98.3 | Very high | 97.6 | Very high | 93 Ų | 93 | 54.1 Ų | 54.1 | 35% | 0.351 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 123.4 | 164.6 | -173.7 | 179.1 | -178.1 | -173.3 | 4.8 | 109.3 | T60 Y62 Y97 A120 I121 E123 | T60-R94 HydrophobicContact CG2-CG 4.06Å; Y62-R94 HydrophobicContact CD1-CB 4.24Å; Y62-R94 HydrophobicContact CE1-CB 4.15Å; Y62-R94 HydrophobicContact CE1-CG 4.43Å; R94-Y97 HydrophobicContact CG-CD1 4.44Å; R94-A120 WeakPolarHBondContact O-CA 3.43Å; R94-I121 HydrophobicContact CB-CB 4.47Å; R94-I121 PolarHBondContact N-O 3.07Å; R94-I121 PolarHBondContact O-N 3.3Å; R94-E123 HydrophobicContact CB-CG 4.19Å |
| 95 | V | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 171 | -178.3 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | V61 R63 Y97 G119 A120 E418 | V61-V95 HydrophobicContact CB-CG2 4.28Å; V61-V95 HydrophobicContact CG1-CG2 3.77Å; V61-V95 PolarHBondContact O-N 2.92Å; V61-V95 VanDerWaalsContact O-O 3.13Å; R63-V95 HydrophobicContact CB-CG1 3.87Å; R63-V95 HydrophobicContact CB-CG2 3.85Å; V95-Y97 PolarHBondContact O-N 3.41Å; V95-G119 WeakPolarHBondContact CA-O 3.15Å; V95-A120 HydrophobicContact CG1-CB 4.05Å; V95-E418 HydrophobicContact CG2-CG 4.45Å |
| 96 | R | 94.8 | Very high | 97.4 | Very high | 80 Ų | 80 | 55 Ų | 55 | 30% | 0.302 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 52.2 | 27.7 | 178.2 | -57.7 | -172.4 | 179.6 | -86 | -3.5 | 114.8 | V61 L98 E418 | V61-R96 HydrophobicContact CB-CB 4.25Å; V61-R96 HydrophobicContact CG2-CB 4.32Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-E418 IonicContact CZ-OE1 3.37Å; R96-E418 IonicContact NE-OE1 2.89Å; R96-E418 PolarHBondContact NE-OE1 2.99Å; R96-E418 IonicContact NH2-OE1 3.55Å; R96-E418 PolarHBondContact NH2-OE1 3.49Å |
| 97 | Y | 94.8 | Very high | 97.1 | Very high | 70 Ų | 70 | 54 Ų | 54 | 28% | 0.275 | 28% | 0.277 | S | S | . | . | trans | -83.4 | -13.5 | 177.5 | 63.5 | -92.5 | 0 | 0 | 0 | 113 | R94 V95 I121 | R94-Y97 HydrophobicContact CG-CD1 4.44Å; V95-Y97 PolarHBondContact O-N 3.41Å; Y97-I121 HydrophobicContact CD1-CD1 4.17Å; Y97-I121 HydrophobicContact CD2-CD1 4.4Å; Y97-I121 HydrophobicContact CE1-CD1 3.66Å; Y97-I121 HydrophobicContact CE1-CG1 3.72Å; Y97-I121 HydrophobicContact CE2-CD1 3.91Å | ||
| 98 | L | 96 | Very high | 96.8 | Very high | 58 Ų | 58 | 60 Ų | 60 | 30% | 0.304 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -81.8 | 138.6 | 176.5 | -62.7 | 173.4 | 0 | 0 | 0 | 110.4 | R96 Q116 P117 | R96-L98 VanDerWaalsContact C-N 3.34Å; L98-Q116 PolarHBondContact O-NE2 2.92Å; L98-P117 HydrophobicContact CB-CB 4Å; L98-P117 HydrophobicContact CB-CG 4.46Å; L98-P117 HydrophobicContact CD1-CB 3.71Å; L98-P117 HydrophobicContact CG-CB 4.49Å |
| 99 | A | 96.8 | Very high | 96.4 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 154.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V55 K56 P117 | V55-A99 HydrophobicContact CG1-CB 4.26Å; V55-A99 CarbonylContact O-C 3.51Å; V55-A99 WeakPolarHBondContact O-CA 3.39Å; K56-A99 HydrophobicContact CB-CB 4.02Å; K56-A99 HydrophobicContact CD-CB 4.37Å; K56-A99 HydrophobicContact CG-CB 4.26Å; A99-P117 VanDerWaalsContact O-CD 3.27Å; A99-P117 WeakPolarHBondContact O-CD 3.45Å; A99-P117 WeakPolarHBondContact O-CG 3.45Å |
| 100 | K | 97.3 | Very high | 96.3 | Very high | 15 Ų | 15 | 60.5 Ų | 60.5 | 7% | 0.065 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 141 | 167.4 | -69.6 | 179 | 170.1 | 71.5 | 0 | 109.8 | W54 V55 I103 F114 V115 | W54-K100 HydrophobicContact CD2-CD 3.8Å; W54-K100 HydrophobicContact CE3-CD 4.03Å; W54-K100 HydrophobicContact CG-CD 4.46Å; W54-K100 HydrophobicContact CH2-CD 3.94Å; W54-K100 HydrophobicContact CZ2-CD 3.74Å; W54-K100 HydrophobicContact CZ3-CD 4.08Å; W54-K100 WeakPolarHBondContact O-CD 3.36Å; W54-K100 WeakPolarHBondContact O-CE 3.48Å; W54-K100 PolarHBondContact O-NZ 3.17Å; V55-K100 PolarHBondContact O-N 3.38Å; K100-I103 HydrophobicContact CB-CD1 4.17Å; K100-I103 HydrophobicContact CB-CG1 4.35Å; K100-F114 HydrophobicContact CB-CB 4.36Å; K100-F114 HydrophobicContact CB-CD2 3.99Å; K100-F114 HydrophobicContact CB-CG 4.46Å; K100-F114 HydrophobicContact CD-CB 4.5Å; K100-F114 HydrophobicContact CD-CD1 4.42Å; K100-F114 HydrophobicContact CD-CD2 3.39Å; K100-F114 HydrophobicContact CD-CE2 3.56Å; K100-F114 HydrophobicContact CD-CG 3.86Å; K100-F114 HydrophobicContact CD-CZ 4.13Å; K100-F114 VanDerWaalsContact CE-CZ 3.48Å; K100-F114 HydrophobicContact CG-CD2 3.61Å; K100-F114 HydrophobicContact CG-CE2 3.96Å; K100-F114 HydrophobicContact CG-CG 4.38Å; K100-V115 WeakPolarHBondContact CA-O 3.27Å |
| 101 | E | 97.1 | Very high | 96.3 | Very high | 95 Ų | 95 | 58.8 Ų | 58.8 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 166.7 | -177.5 | -72.1 | 176.6 | -176.9 | 0 | 0 | 111.2 | I103 F114 V115 P117 | E101-I103 VanDerWaalsContact C-N 3.27Å; E101-I103 PolarHBondContact O-N 3.11Å; E101-F114 WeakPolarHBondContact O-CA 3.34Å; E101-V115 HydrophobicContact CB-CG2 3.79Å; E101-V115 PolarHBondContact N-O 2.78Å; E101-V115 PolarHBondContact O-N 2.91Å; E101-P117 HydrophobicContact CB-CG 4.19Å; E101-P117 HydrophobicContact CG-CG 3.66Å |
| 102 | N | 96.9 | Very high | 96.2 | Very high | 124 Ų | 124 | 58.8 Ų | 58.8 | 66% | 0.663 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.1 | 45.5 | 179 | -60.1 | -3.7 | 0 | 0 | 0 | 112.8 | T104 V115 | N102-T104 PolarHBondContact O-N 3.48Å; N102-V115 HydrophobicContact CB-CG2 4.33Å |
| 103 | I | 97.6 | Very high | 96.2 | Very high | 56 Ų | 56 | 60 Ų | 60 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 118.7 | -177.8 | -62 | 160.9 | 0 | 0 | 0 | 109.3 | F51 W54 V55 K100 E101 V112 S113 F114 | F51-I103 HydrophobicContact CE2-CG2 4.25Å; F51-I103 HydrophobicContact CZ-CG2 4.1Å; W54-I103 HydrophobicContact CH2-CG1 4.48Å; W54-I103 HydrophobicContact CH2-CG2 4.42Å; W54-I103 HydrophobicContact CZ3-CD1 4.15Å; W54-I103 HydrophobicContact CZ3-CG1 4.18Å; W54-I103 HydrophobicContact CZ3-CG2 4.08Å; V55-I103 HydrophobicContact CB-CD1 4.26Å; V55-I103 HydrophobicContact CG1-CD1 3.86Å; V55-I103 HydrophobicContact CG2-CD1 3.56Å; K100-I103 HydrophobicContact CB-CD1 4.17Å; K100-I103 HydrophobicContact CB-CG1 4.35Å; E101-I103 VanDerWaalsContact C-N 3.27Å; E101-I103 PolarHBondContact O-N 3.11Å; I103-V112 HydrophobicContact CG2-CG2 3.69Å; I103-S113 CarbonylContact C-O 3.52Å; I103-S113 VanDerWaalsContact CA-O 3.24Å; I103-S113 WeakPolarHBondContact CA-O 3.23Å; I103-F114 HydrophobicContact CG1-CB 4.11Å |
| 104 | T | 97.1 | Very high | 96.2 | Very high | 91 Ų | 91 | 60 Ų | 60 | 56% | 0.558 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 120.9 | 179.8 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | N102 V112 S113 | N102-T104 PolarHBondContact O-N 3.48Å; T104-V112 WeakPolarHBondContact O-CA 3.17Å; T104-S113 PolarHBondContact N-O 2.86Å; T104-S113 PolarHBondContact O-N 3.24Å |
| 105 | Q | 96.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 56 Ų | 56 | 29% | 0.285 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 138.2 | 173.5 | -67 | -77.2 | -4.2 | 0 | 0 | 110.3 | L44 T111 V112 N216 | L44-Q105 PolarHBondContact O-NE2 2.88Å; Q105-T111 PolarHBondContact OE1-O 2.95Å; Q105-V112 HydrophobicContact CG-CG2 4.47Å; Q105-N216 PolarHBondContact OE1-ND2 2.93Å |
| 106 | D | 95.5 | Very high | 96.1 | Very high | 49 Ų | 49 | 57 Ų | 57 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 102.1 | 170.3 | -171.1 | -22.1 | 0 | 0 | 0 | 109.3 | K108 S110 T111 K213 | D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.33Å; D106-K108 WeakPolarHBondContact OD1-CB 3.4Å; D106-K108 PolarHBondContact OD1-N 2.9Å; D106-S110 WeakPolarHBondContact O-CA 3.39Å; D106-S110 PolarHBondContact O-N 3.27Å; D106-S110 VanDerWaalsContact O-N 3.1Å; D106-T111 WeakPolarHBondContact CB-OG1 2.98Å; D106-T111 PolarHBondContact N-O 3.47Å; D106-T111 PolarHBondContact O-N 3.09Å; D106-T111 VanDerWaalsContact O-N 3.12Å; D106-K213 IonicContact OD2-NZ 3.8Å |
| 107 | P | 92.3 | Very high | 96.3 | Very high | 111 Ų | 111 | 53.5 Ų | 53.5 | 72% | 0.721 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -24.4 | -179.7 | -21.9 | 33.4 | 0 | 0 | 0 | 114.2 | ||
| 108 | K | 92.3 | Very high | 96.4 | Very high | 192 Ų | 192 | 51.7 Ų | 51.7 | 84% | 0.835 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -44.1 | -175.9 | -66 | 179.9 | 179.7 | 177.6 | 0 | 110.9 | D106 | D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.33Å; D106-K108 WeakPolarHBondContact OD1-CB 3.4Å; D106-K108 PolarHBondContact OD1-N 2.9Å |
| 109 | D | 90.9 | Very high | 96.4 | Very high | 82 Ų | 82 | 49.1 Ų | 49.1 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -3.4 | -177.5 | -64.6 | -16.9 | 0 | 0 | 0 | 112.7 | T111 K213 | D109-T111 VanDerWaalsContact C-N 3.33Å; D109-T111 HydrophobicContact CB-CG2 4Å; D109-T111 PolarHBondContact O-N 3.26Å; D109-K213 IonicContact OD2-NZ 2.77Å; D109-K213 PolarHBondContact OD2-NZ 3.08Å |
| 110 | S | 96.1 | Very high | 96.5 | Very high | 19 Ų | 19 | 48 Ų | 48 | 13% | 0.133 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 49.9 | -171 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | D106 F215 N216 D219 | D106-S110 WeakPolarHBondContact O-CA 3.39Å; D106-S110 PolarHBondContact O-N 3.27Å; D106-S110 VanDerWaalsContact O-N 3.1Å; S110-F215 WeakPolarHBondContact O-CA 3.4Å; S110-N216 VanDerWaalsContact C-CG 3.48Å; S110-N216 VanDerWaalsContact O-CG 3.29Å; S110-N216 PolarHBondContact O-N 3.24Å; S110-N216 PolarHBondContact O-OD1 2.82Å; S110-N216 VanDerWaalsContact O-OD1 3.04Å; S110-D219 WeakPolarHBondContact CB-OD1 3.24Å |
| 111 | T | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 160.5 | -178.9 | 59.3 | 0 | 0 | 0 | 0 | 112.1 | Q105 D106 D109 K213 V214 F215 | Q105-T111 PolarHBondContact OE1-O 2.95Å; D106-T111 WeakPolarHBondContact CB-OG1 2.98Å; D106-T111 PolarHBondContact N-O 3.47Å; D106-T111 PolarHBondContact O-N 3.09Å; D106-T111 VanDerWaalsContact O-N 3.12Å; D109-T111 VanDerWaalsContact C-N 3.33Å; D109-T111 HydrophobicContact CB-CG2 4Å; D109-T111 PolarHBondContact O-N 3.26Å; T111-K213 HydrophobicContact CG2-CG 4.24Å; T111-K213 WeakPolarHBondContact OG1-CE 3.35Å; T111-V214 CarbonylContact C-O 3.52Å; T111-V214 WeakPolarHBondContact CA-O 3.47Å; T111-V214 VanDerWaalsContact CB-O 3.23Å; T111-V214 WeakPolarHBondContact CB-O 3.43Å; T111-F215 HydrophobicContact CG2-CD1 3.74Å; T111-F215 HydrophobicContact CG2-CE1 4.03Å; T111-F215 HydrophobicContact CG2-CG 4.4Å |
| 112 | V | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.6 | 170.3 | 61.1 | 0 | 0 | 0 | 0 | 108.8 | L44 W54 I103 T104 Q105 V214 N216 | L44-V112 HydrophobicContact CB-CG1 4.19Å; L44-V112 HydrophobicContact CD1-CG1 4.12Å; W54-V112 HydrophobicContact CH2-CG1 3.92Å; W54-V112 HydrophobicContact CH2-CG2 3.79Å; W54-V112 HydrophobicContact CZ2-CG1 4.02Å; W54-V112 HydrophobicContact CZ3-CG2 4.22Å; I103-V112 HydrophobicContact CG2-CG2 3.69Å; T104-V112 WeakPolarHBondContact O-CA 3.17Å; Q105-V112 HydrophobicContact CG-CG2 4.47Å; V112-V214 HydrophobicContact CG1-CG2 3.47Å; V112-V214 VanDerWaalsContact CG1-CG2 3.47Å; V112-V214 PolarHBondContact N-O 3.09Å; V112-V214 PolarHBondContact O-N 2.91Å; V112-N216 HydrophobicContact CG1-CB 4.32Å |
| 113 | S | 98.3 | Very high | 96.7 | Very high | 26 Ų | 26 | 44 Ų | 44 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 147.2 | 177.5 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | I103 T104 Y212 | I103-S113 CarbonylContact C-O 3.52Å; I103-S113 VanDerWaalsContact CA-O 3.24Å; I103-S113 WeakPolarHBondContact CA-O 3.23Å; T104-S113 PolarHBondContact N-O 2.86Å; T104-S113 PolarHBondContact O-N 3.24Å; S113-Y212 CarbonylContact C-O 3.58Å; S113-Y212 WeakPolarHBondContact CA-O 3.01Å |
| 114 | F | 98.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 169 | 177.5 | 70.8 | -79.7 | 0 | 0 | 0 | 112.4 | W54 K100 E101 I103 Q116 Y212 V214 | W54-F114 HydrophobicContact CH2-CB 3.95Å; W54-F114 AromaticContact CH2-CD1 3.6Å; W54-F114 HydrophobicContact CH2-CD1 3.6Å; W54-F114 HydrophobicContact CH2-CE1 4.27Å; W54-F114 AromaticContact CH2-CG 3.87Å; W54-F114 HydrophobicContact CH2-CG 3.87Å; W54-F114 HydrophobicContact CZ2-CB 4.42Å; W54-F114 AromaticContact CZ2-CD1 3.24Å; W54-F114 HydrophobicContact CZ2-CD1 3.24Å; W54-F114 AromaticContact CZ2-CE1 3.44Å; W54-F114 HydrophobicContact CZ2-CE1 3.44Å; W54-F114 VanDerWaalsContact CZ2-CE1 3.44Å; W54-F114 AromaticContact CZ2-CG 3.83Å; W54-F114 HydrophobicContact CZ2-CG 3.83Å; W54-F114 HydrophobicContact CZ2-CZ 4.21Å; K100-F114 HydrophobicContact CB-CB 4.36Å; K100-F114 HydrophobicContact CB-CD2 3.99Å; K100-F114 HydrophobicContact CB-CG 4.46Å; K100-F114 HydrophobicContact CD-CB 4.5Å; K100-F114 HydrophobicContact CD-CD1 4.42Å; K100-F114 HydrophobicContact CD-CD2 3.39Å; K100-F114 HydrophobicContact CD-CE2 3.56Å; K100-F114 HydrophobicContact CD-CG 3.86Å; K100-F114 HydrophobicContact CD-CZ 4.13Å; K100-F114 VanDerWaalsContact CE-CZ 3.48Å; K100-F114 HydrophobicContact CG-CD2 3.61Å; K100-F114 HydrophobicContact CG-CE2 3.96Å; K100-F114 HydrophobicContact CG-CG 4.38Å; E101-F114 WeakPolarHBondContact O-CA 3.34Å; I103-F114 HydrophobicContact CG1-CB 4.11Å; F114-Q116 HydrophobicContact CE2-CB 4.29Å; F114-Y212 HydrophobicContact CE1-CG 4.06Å; F114-Y212 AromaticContact CE2-CD2 3.95Å; F114-Y212 HydrophobicContact CE2-CD2 3.95Å; F114-Y212 HydrophobicContact CE2-CG 4.17Å; F114-Y212 HydrophobicContact CZ-CD1 4.37Å; F114-Y212 AromaticContact CZ-CD2 3.99Å; F114-Y212 HydrophobicContact CZ-CD2 3.99Å; F114-Y212 AromaticContact CZ-CG 3.73Å; F114-Y212 HydrophobicContact CZ-CG 3.73Å; F114-Y212 PolarHBondContact N-O 2.85Å; F114-Y212 PolarHBondContact O-N 3.05Å; F114-V214 HydrophobicContact CE1-CG1 3.99Å; F114-V214 HydrophobicContact CE1-CG2 4.3Å |
| 115 | V | 97.9 | Very high | 96.7 | Very high | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150.2 | 162.3 | -60.7 | 0 | 0 | 0 | 0 | 110.2 | K100 E101 N102 P117 V208 D209 V211 | K100-V115 WeakPolarHBondContact CA-O 3.27Å; E101-V115 HydrophobicContact CB-CG2 3.79Å; E101-V115 PolarHBondContact N-O 2.78Å; E101-V115 PolarHBondContact O-N 2.91Å; N102-V115 HydrophobicContact CB-CG2 4.33Å; V115-P117 WeakPolarHBondContact O-CD 3.47Å; V115-V208 HydrophobicContact CB-CB 4.1Å; V115-V208 HydrophobicContact CB-CG2 4.31Å; V115-V208 HydrophobicContact CG1-CG2 4.5Å; V115-V208 HydrophobicContact CG2-CB 4.19Å; V115-V208 HydrophobicContact CG2-CG1 4.21Å; V115-V208 HydrophobicContact CG2-CG2 4.49Å; V115-D209 WeakPolarHBondContact CA-O 3.38Å; V115-V211 HydrophobicContact CG1-CB 4.41Å; V115-V211 HydrophobicContact CG1-CG2 3.85Å |
| 116 | Q | 97 | Very high | 96.8 | Very high | 19 Ų | 19 | 47 Ų | 47 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 107.4 | 177.5 | -174.4 | 64 | 71.5 | 0 | 0 | 109.5 | L98 F114 V208 D209 | L98-Q116 PolarHBondContact O-NE2 2.92Å; F114-Q116 HydrophobicContact CE2-CB 4.29Å; Q116-V208 WeakPolarHBondContact O-CA 3.17Å; Q116-D209 PolarHBondContact N-O 3.2Å; Q116-D209 PolarHBondContact O-N 3.22Å |
| 117 | P | 97.5 | Very high | 97 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 142.6 | 175.7 | -21.3 | 33.5 | 0 | 0 | 0 | 112.5 | L98 A99 E101 V115 V208 | L98-P117 HydrophobicContact CB-CB 4Å; L98-P117 HydrophobicContact CB-CG 4.46Å; L98-P117 HydrophobicContact CD1-CB 3.71Å; L98-P117 HydrophobicContact CG-CB 4.49Å; A99-P117 VanDerWaalsContact O-CD 3.27Å; A99-P117 WeakPolarHBondContact O-CD 3.45Å; A99-P117 WeakPolarHBondContact O-CG 3.45Å; E101-P117 HydrophobicContact CB-CG 4.19Å; E101-P117 HydrophobicContact CG-CG 3.66Å; V115-P117 WeakPolarHBondContact O-CD 3.47Å; P117-V208 HydrophobicContact CB-CG1 4.35Å; P117-V208 HydrophobicContact CG-CG1 4.39Å |
| 118 | N | 96.6 | Very high | 97.3 | Very high | 32 Ų | 32 | 45 Ų | 45 | 17% | 0.171 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128.9 | 178.1 | -67.7 | -47.8 | 0 | 0 | 0 | 110.7 | Y204 N206 T207 | N118-Y204 HydrophobicContact CB-CD1 4.38Å; N118-Y204 HydrophobicContact CB-CD2 4.1Å; N118-Y204 HydrophobicContact CB-CE1 4.18Å; N118-Y204 HydrophobicContact CB-CE2 3.85Å; N118-Y204 HydrophobicContact CB-CG 4.34Å; N118-Y204 VanDerWaalsContact CB-O 3.29Å; N118-Y204 WeakPolarHBondContact CB-O 3.43Å; N118-N206 PolarHBondContact O-N 3.43Å; N118-T207 WeakPolarHBondContact CB-OG1 3.3Å; N118-T207 PolarHBondContact N-O 3.24Å; N118-T207 PolarHBondContact ND2-OG1 3.29Å |
| 119 | G | 96.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | trans | -154.4 | 139.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V95 N205 | V95-G119 WeakPolarHBondContact CA-O 3.15Å; G119-N205 WeakPolarHBondContact CA-OD1 3.33Å | ||
| 120 | A | 98 | Very high | 97.9 | Very high | 11 Ų | 11 | 36.2 Ų | 36.2 | 9% | 0.091 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 127.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y93 R94 V95 W180 Y204 N205 | Y93-A120 HydrophobicContact CD1-CB 3.92Å; Y93-A120 HydrophobicContact CG-CB 4.4Å; R94-A120 WeakPolarHBondContact O-CA 3.43Å; V95-A120 HydrophobicContact CG1-CB 4.05Å; A120-W180 HydrophobicContact CB-CH2 3.55Å; A120-W180 HydrophobicContact CB-CZ2 3.8Å; A120-W180 HydrophobicContact CB-CZ3 4.32Å; A120-Y204 HydrophobicContact CB-CD1 3.98Å; A120-Y204 HydrophobicContact CB-CE1 3.85Å; A120-N205 PolarHBondContact N-OD1 3.26Å |
| 121 | I | 98.4 | Very high | 98 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 38% | 0.379 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.2 | 174.8 | -61.2 | 168.6 | 0 | 0 | 0 | 107.6 | Y93 R94 Y97 | Y93-I121 CarbonylContact C-O 3.58Å; Y93-I121 WeakPolarHBondContact CA-O 3.22Å; R94-I121 HydrophobicContact CB-CB 4.47Å; R94-I121 PolarHBondContact N-O 3.07Å; R94-I121 PolarHBondContact O-N 3.3Å; Y97-I121 HydrophobicContact CD1-CD1 4.17Å; Y97-I121 HydrophobicContact CD2-CD1 4.4Å; Y97-I121 HydrophobicContact CE1-CD1 3.66Å; Y97-I121 HydrophobicContact CE1-CG1 3.72Å; Y97-I121 HydrophobicContact CE2-CD1 3.91Å |
| 122 | F | 98.7 | Very high | 98 | Very high | 35 Ų | 35 | 43 Ų | 43 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 138.9 | 178.7 | -175.5 | -119.5 | 0 | 0 | 0 | 111 | Y91 T92 Y93 P124 S127 G129 E131 | Y91-F122 HydrophobicContact CD1-CE2 4.41Å; T92-F122 WeakPolarHBondContact O-CD2 3.32Å; Y93-F122 VanDerWaalsContact CD1-CA 3.5Å; Y93-F122 HydrophobicContact CD1-CB 3.88Å; Y93-F122 HydrophobicContact CD1-CD2 4.22Å; Y93-F122 HydrophobicContact CD2-CD2 4.08Å; Y93-F122 HydrophobicContact CE1-CB 3.6Å; Y93-F122 AromaticContact CE1-CD2 3.82Å; Y93-F122 HydrophobicContact CE1-CD2 3.82Å; Y93-F122 HydrophobicContact CE1-CG 4.14Å; Y93-F122 AromaticContact CE2-CD2 3.66Å; Y93-F122 HydrophobicContact CE2-CD2 3.66Å; Y93-F122 HydrophobicContact CE2-CE2 4.21Å; Y93-F122 HydrophobicContact CG-CD2 4.35Å; Y93-F122 AromaticContact CZ-CD2 3.53Å; F122-P124 HydrophobicContact CD1-CG 3.77Å; F122-P124 HydrophobicContact CE1-CB 4.07Å; F122-P124 HydrophobicContact CE1-CG 3.81Å; F122-P124 WeakPolarHBondContact O-CD 3.37Å; F122-S127 VanDerWaalsContact CE2-OG 3.25Å; F122-S127 WeakPolarHBondContact CE2-OG 3.44Å; F122-S127 WeakPolarHBondContact CZ-OG 3.4Å; F122-G129 WeakPolarHBondContact CZ-O 3.25Å; F122-E131 HydrophobicContact CB-CG 4.2Å; F122-E131 HydrophobicContact CD1-CG 3.69Å; F122-E131 HydrophobicContact CD2-CG 3.89Å; F122-E131 HydrophobicContact CE1-CG 3.97Å; F122-E131 HydrophobicContact CE2-CG 4.16Å; F122-E131 HydrophobicContact CG-CG 3.64Å; F122-E131 HydrophobicContact CZ-CG 4.2Å |
| 123 | E | 98.6 | Very high | 98.1 | Very high | 42 Ų | 42 | 45 Ų | 45 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | trans | -116.5 | 89.9 | -180 | -64.8 | -73 | -176.5 | 0 | 0 | 109.3 | Y62 T92 R94 S125 L126 S127 | Y62-E123 HydrophobicContact CD1-CG 4.44Å; Y62-E123 HydrophobicContact CE1-CG 4.08Å; T92-E123 HydrophobicContact CG2-CB 4.27Å; T92-E123 PolarHBondContact O-N 2.88Å; R94-E123 HydrophobicContact CB-CG 4.19Å; E123-S125 VanDerWaalsContact C-N 3.27Å; E123-S125 PolarHBondContact O-N 3.36Å; E123-L126 HydrophobicContact CB-CB 4.23Å; E123-L126 HydrophobicContact CB-CD1 4.3Å; E123-L126 HydrophobicContact CB-CG 4.42Å; E123-L126 PolarHBondContact O-N 2.83Å; E123-L126 VanDerWaalsContact O-N 3.17Å; E123-S127 WeakPolarHBondContact O-CB 3.24Å; E123-S127 PolarHBondContact O-N 2.87Å; E123-S127 PolarHBondContact O-OG 3.31Å | ||
| 124 | P | 98 | Very high | 98.1 | Very high | 85 Ų | 85 | 48 Ų | 48 | 55% | 0.552 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -59.7 | -36.3 | -177.1 | -22.8 | 31.6 | 0 | 0 | 0 | 113.1 | F122 L126 S127 | F122-P124 HydrophobicContact CD1-CG 3.77Å; F122-P124 HydrophobicContact CE1-CB 4.07Å; F122-P124 HydrophobicContact CE1-CG 3.81Å; F122-P124 WeakPolarHBondContact O-CD 3.37Å; P124-L126 PolarHBondContact O-N 3.32Å; P124-S127 PolarHBondContact O-N 3.41Å; P124-S127 VanDerWaalsContact O-N 3.16Å |
| 125 | S | 98.3 | Very high | 98.1 | Very high | 105 Ų | 105 | 48 Ų | 48 | 73% | 0.734 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -66.1 | -20.5 | -179.3 | 54.2 | 0 | 0 | 0 | 0 | 113.8 | E123 | E123-S125 VanDerWaalsContact C-N 3.27Å; E123-S125 PolarHBondContact O-N 3.36Å |
| 126 | L | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 49.1 Ų | 49.1 | 42% | 0.424 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -108.4 | 12.3 | 178.9 | -58.2 | 179.5 | 0 | 0 | 0 | 112 | Y62 T92 E123 P124 | Y62-L126 HydrophobicContact CD1-CD1 4.23Å; Y62-L126 HydrophobicContact CE1-CD1 3.79Å; T92-L126 WeakPolarHBondContact CB-O 3.36Å; T92-L126 HydrophobicContact CG2-CB 3.82Å; T92-L126 HydrophobicContact CG2-CD1 4.11Å; T92-L126 PolarHBondContact OG1-O 3.16Å; E123-L126 HydrophobicContact CB-CB 4.23Å; E123-L126 HydrophobicContact CB-CD1 4.3Å; E123-L126 HydrophobicContact CB-CG 4.42Å; E123-L126 PolarHBondContact O-N 2.83Å; E123-L126 VanDerWaalsContact O-N 3.17Å; P124-L126 PolarHBondContact O-N 3.32Å |
| 127 | S | 98.7 | Very high | 98.2 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 16% | 0.161 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -118.7 | 147 | -173.9 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | P90 T92 F122 E123 P124 G129 | P90-S127 WeakPolarHBondContact O-CA 3.24Å; T92-S127 PolarHBondContact N-OG 2.92Å; F122-S127 VanDerWaalsContact CE2-OG 3.25Å; F122-S127 WeakPolarHBondContact CE2-OG 3.44Å; F122-S127 WeakPolarHBondContact CZ-OG 3.4Å; E123-S127 WeakPolarHBondContact O-CB 3.24Å; E123-S127 PolarHBondContact O-N 2.87Å; E123-S127 PolarHBondContact O-OG 3.31Å; P124-S127 PolarHBondContact O-N 3.41Å; P124-S127 VanDerWaalsContact O-N 3.16Å; S127-G129 VanDerWaalsContact C-N 3.27Å; S127-G129 PolarHBondContact O-N 3.42Å |
| 128 | V | 98.6 | Very high | 98.3 | Very high | 95 Ų | 95 | 47.9 Ų | 47.9 | 58% | 0.576 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -72.2 | -21.4 | 178.1 | 70.9 | 0 | 0 | 0 | 0 | 113.1 | P90 Y91 | P90-V128 PolarHBondContact O-N 2.81Å; Y91-V128 HydrophobicContact CE1-CG1 4.22Å; Y91-V128 HydrophobicContact CE2-CG1 4.06Å |
| 129 | G | 98 | Very high | 98.4 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 19% | 0.186 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -158.7 | -160.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F122 S127 | F122-G129 WeakPolarHBondContact CZ-O 3.25Å; S127-G129 VanDerWaalsContact C-N 3.27Å; S127-G129 PolarHBondContact O-N 3.42Å |
| 130 | T | 98.4 | Very high | 98.4 | Very high | 72 Ų | 72 | 47.2 Ų | 47.2 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | trans | -105.3 | 167.4 | -175.1 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | Y91 N132 D133 | Y91-T130 WeakPolarHBondContact CE1-O 3.41Å; T130-N132 PolarHBondContact O-N 2.84Å; T130-N132 VanDerWaalsContact O-N 3.15Å; T130-N132 PolarHBondContact OG1-N 2.88Å; T130-D133 PolarHBondContact N-OD1 2.85Å; T130-D133 WeakPolarHBondContact O-CB 3.4Å; T130-D133 PolarHBondContact O-N 2.84Å; T130-D133 PolarHBondContact OG1-OD1 2.86Å | ||
| 131 | E | 98.4 | Very high | 98.4 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -13.4 | 170.8 | -64.7 | -170 | 95.9 | 0 | 0 | 113.7 | Y93 F122 L175 K176 | Y93-E131 PolarHBondContact OH-OE1 2.87Å; F122-E131 HydrophobicContact CB-CG 4.2Å; F122-E131 HydrophobicContact CD1-CG 3.69Å; F122-E131 HydrophobicContact CD2-CG 3.89Å; F122-E131 HydrophobicContact CE1-CG 3.97Å; F122-E131 HydrophobicContact CE2-CG 4.16Å; F122-E131 HydrophobicContact CG-CG 3.64Å; F122-E131 HydrophobicContact CZ-CG 4.2Å; E131-L175 WeakPolarHBondContact O-CB 3.43Å; E131-L175 PolarHBondContact O-N 2.97Å; E131-K176 HydrophobicContact CB-CB 4.12Å; E131-K176 PolarHBondContact O-N 3.14Å |
| 132 | N | 98.5 | Very high | 98.4 | Very high | 118 Ų | 118 | 43.4 Ų | 43.4 | 63% | 0.631 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -3.1 | 179.3 | -63.5 | -34.7 | 0 | 0 | 0 | 113.1 | T130 N134 | T130-N132 PolarHBondContact O-N 2.84Å; T130-N132 VanDerWaalsContact O-N 3.15Å; T130-N132 PolarHBondContact OG1-N 2.88Å; N132-N134 PolarHBondContact O-N 3.46Å |
| 133 | D | 98.7 | Very high | 98.3 | Very high | 40 Ų | 40 | 42 Ų | 42 | 21% | 0.214 | 25% | 0.249 | C | C | . | . | trans | -59.8 | 130.8 | 175.9 | -80 | 43.8 | 0 | 0 | 0 | 110.2 | R88 Y91 T130 F135 S174 L175 | R88-D133 IonicContact NH2-OD2 2.81Å; R88-D133 PolarHBondContact NH2-OD2 3.43Å; Y91-D133 HydrophobicContact CE1-CB 4.14Å; Y91-D133 WeakPolarHBondContact OH-CB 3.35Å; Y91-D133 PolarHBondContact OH-OD2 2.93Å; T130-D133 PolarHBondContact N-OD1 2.85Å; T130-D133 WeakPolarHBondContact O-CB 3.4Å; T130-D133 PolarHBondContact O-N 2.84Å; T130-D133 PolarHBondContact OG1-OD1 2.86Å; D133-F135 HydrophobicContact CB-CE2 4.22Å; D133-F135 HydrophobicContact CB-CZ 4.07Å; D133-F135 WeakPolarHBondContact O-CD2 3.44Å; D133-F135 WeakPolarHBondContact O-CE2 3.49Å; D133-S174 CarbonylContact O-C 3.6Å; D133-S174 VanDerWaalsContact O-CA 3.27Å; D133-S174 WeakPolarHBondContact O-CA 3.45Å; D133-L175 PolarHBondContact O-N 2.92Å | ||
| 134 | N | 98.6 | Very high | 98.3 | Very high | 91 Ų | 91 | 40.6 Ų | 40.6 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 145.2 | -176.2 | -74.2 | -39.1 | 0 | 0 | 0 | 112.2 | R88 N132 T172 R173 S174 | R88-N134 PolarHBondContact NH1-O 3.02Å; N132-N134 PolarHBondContact O-N 3.46Å; N134-T172 HydrophobicContact CB-CG2 3.86Å; N134-R173 CarbonylContact C-O 3.55Å; N134-R173 WeakPolarHBondContact CA-O 3.42Å; N134-S174 WeakPolarHBondContact OD1-CA 3.5Å; N134-S174 PolarHBondContact OD1-N 2.62Å |
| 135 | F | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144.8 | 177.1 | -50.7 | -86.6 | 0 | 0 | 0 | 110.9 | I67 D69 R88 Y91 D133 V137 T172 R173 L175 | I67-F135 HydrophobicContact CB-CD1 3.83Å; I67-F135 HydrophobicContact CB-CD2 4.44Å; I67-F135 HydrophobicContact CB-CE1 3.89Å; I67-F135 HydrophobicContact CB-CG 4.11Å; I67-F135 HydrophobicContact CB-CZ 4.23Å; I67-F135 HydrophobicContact CG1-CD1 4.39Å; I67-F135 HydrophobicContact CG1-CD2 4.31Å; I67-F135 HydrophobicContact CG1-CE1 4.12Å; I67-F135 HydrophobicContact CG1-CE2 4.04Å; I67-F135 HydrophobicContact CG1-CG 4.47Å; I67-F135 HydrophobicContact CG1-CZ 3.93Å; I67-F135 HydrophobicContact CG2-CB 3.98Å; I67-F135 HydrophobicContact CG2-CD1 3.84Å; I67-F135 HydrophobicContact CG2-CD2 4.16Å; I67-F135 HydrophobicContact CG2-CE1 4.39Å; I67-F135 HydrophobicContact CG2-CG 3.7Å; D69-F135 HydrophobicContact CB-CD1 4.23Å; R88-F135 HydrophobicContact CB-CD1 4.48Å; R88-F135 HydrophobicContact CB-CE1 3.78Å; R88-F135 VanDerWaalsContact CZ-CE1 3.45Å; Y91-F135 HydrophobicContact CD2-CZ 4.48Å; Y91-F135 HydrophobicContact CE2-CE1 4.13Å; Y91-F135 AromaticContact CE2-CZ 3.52Å; Y91-F135 HydrophobicContact CE2-CZ 3.52Å; Y91-F135 AromaticContact CZ-CZ 3.59Å; Y91-F135 WeakPolarHBondContact OH-CZ 3.26Å; D133-F135 HydrophobicContact CB-CE2 4.22Å; D133-F135 HydrophobicContact CB-CZ 4.07Å; D133-F135 WeakPolarHBondContact O-CD2 3.44Å; D133-F135 WeakPolarHBondContact O-CE2 3.49Å; F135-V137 HydrophobicContact CB-CG1 3.86Å; F135-T172 VanDerWaalsContact O-CA 3.27Å; F135-T172 WeakPolarHBondContact O-CA 3.28Å; F135-R173 PolarHBondContact N-O 2.81Å; F135-R173 PolarHBondContact O-N 2.91Å; F135-L175 HydrophobicContact CE2-CB 3.9Å; F135-L175 HydrophobicContact CE2-CD1 3.9Å; F135-L175 HydrophobicContact CZ-CD1 4.27Å |
| 136 | T | 98.8 | Very high | 98 | Very high | 33 Ų | 33 | 32.3 Ų | 32.3 | 20% | 0.202 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 115.4 | 167 | -53.1 | 0 | 0 | 0 | 0 | 108.6 | D69 V70 P73 F170 Q171 | D69-T136 PolarHBondContact OD1-N 2.87Å; V70-T136 HydrophobicContact CB-CG2 4.15Å; V70-T136 WeakPolarHBondContact CB-O 3.42Å; V70-T136 WeakPolarHBondContact CG2-O 3.38Å; V70-T136 PolarHBondContact N-O 2.97Å; V70-T136 WeakPolarHBondContact O-CB 3.4Å; P73-T136 HydrophobicContact CB-CG2 3.98Å; P73-T136 HydrophobicContact CG-CG2 3.98Å; T136-F170 HydrophobicContact CG2-CB 4.25Å; T136-Q171 WeakPolarHBondContact CA-O 3.23Å |
| 137 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 163.1 | -175 | -62.6 | 0 | 0 | 0 | 0 | 110.6 | I67 F135 N139 F170 Q171 L178 | I67-V137 HydrophobicContact CG2-CG1 3.99Å; F135-V137 HydrophobicContact CB-CG1 3.86Å; V137-N139 PolarHBondContact O-N 2.91Å; V137-F170 CarbonylContact O-C 3.44Å; V137-F170 WeakPolarHBondContact O-CA 3.32Å; V137-Q171 HydrophobicContact CG2-CG 4.16Å; V137-Q171 PolarHBondContact N-O 2.83Å; V137-Q171 PolarHBondContact O-N 2.78Å; V137-L178 HydrophobicContact CG1-CD2 4.02Å; V137-L178 HydrophobicContact CG2-CD1 4.06Å; V137-L178 HydrophobicContact CG2-CD2 4.48Å |
| 138 | P | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.013 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 139.5 | 171.9 | -26.6 | 36.2 | 0 | 0 | 0 | 111.4 | L140 F170 Q171 I391 V411 | P138-L140 PolarHBondContact O-N 2.86Å; P138-L140 VanDerWaalsContact O-N 3.09Å; P138-F170 HydrophobicContact CG-CE1 4.29Å; P138-Q171 PolarHBondContact O-NE2 3.33Å; P138-I391 HydrophobicContact CB-CG2 3.9Å; P138-I391 HydrophobicContact CG-CG2 4.13Å; P138-V411 HydrophobicContact CG-CB 3.85Å; P138-V411 HydrophobicContact CG-CG1 3.4Å; P138-V411 VanDerWaalsContact CG-CG1 3.4Å; P138-V411 HydrophobicContact CG-CG2 4.47Å |
| 139 | N | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | trans | -71.9 | 106.2 | 170.1 | -175.8 | -39.8 | 0 | 0 | 0 | 109.1 | V137 A141 V142 A143 S168 M169 Q171 | V137-N139 PolarHBondContact O-N 2.91Å; N139-A141 VanDerWaalsContact C-N 3.31Å; N139-A141 PolarHBondContact O-N 3.14Å; N139-A141 PolarHBondContact OD1-N 2.95Å; N139-V142 HydrophobicContact CB-CB 3.91Å; N139-V142 HydrophobicContact CB-CG2 4.08Å; N139-V142 VanDerWaalsContact CG-CG2 3.42Å; N139-V142 PolarHBondContact O-N 3.38Å; N139-V142 WeakPolarHBondContact OD1-CG2 3.42Å; N139-V142 PolarHBondContact OD1-N 3.5Å; N139-A143 WeakPolarHBondContact O-CB 3.46Å; N139-A143 PolarHBondContact O-N 3.32Å; N139-S168 WeakPolarHBondContact CB-O 3.29Å; N139-M169 WeakPolarHBondContact CB-O 3.29Å; N139-M169 PolarHBondContact N-O 2.96Å; N139-Q171 HydrophobicContact CB-CB 4.39Å; N139-Q171 HydrophobicContact CB-CG 4.16Å | ||
| 140 | L | 98.2 | Very high | 97.1 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.5 | -41.4 | -172.4 | -56.6 | -175.7 | 0 | 0 | 0 | 111.9 | P138 A144 L178 V200 I391 I413 | P138-L140 PolarHBondContact O-N 2.86Å; P138-L140 VanDerWaalsContact O-N 3.09Å; L140-A144 VanDerWaalsContact O-CB 3.22Å; L140-A144 WeakPolarHBondContact O-CB 3.42Å; L140-A144 PolarHBondContact O-N 3.41Å; L140-L178 HydrophobicContact CD1-CD1 4.29Å; L140-V200 HydrophobicContact CD1-CG2 4.42Å; L140-I391 HydrophobicContact CD2-CD1 4.09Å; L140-I413 HydrophobicContact CD2-CD1 3.57Å; L140-I413 HydrophobicContact CD2-CG1 4.44Å |
| 141 | A | 97.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 3% | 0.033 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -72.5 | -42.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | N139 A143 A144 A145 D184 F186 L187 | N139-A141 VanDerWaalsContact C-N 3.31Å; N139-A141 PolarHBondContact O-N 3.14Å; N139-A141 PolarHBondContact OD1-N 2.95Å; A141-A143 VanDerWaalsContact C-N 3.27Å; A141-A143 PolarHBondContact O-N 2.97Å; A141-A144 PolarHBondContact O-N 3.45Å; A141-A145 WeakPolarHBondContact O-CB 3.12Å; A141-A145 PolarHBondContact O-N 2.93Å; A141-D184 HydrophobicContact CB-CB 4.26Å; A141-D184 VanDerWaalsContact CB-CG 3.47Å; A141-F186 HydrophobicContact CB-CD1 3.74Å; A141-F186 HydrophobicContact CB-CE1 4.04Å; A141-L187 HydrophobicContact CB-CD1 3.83Å; A141-L187 HydrophobicContact CB-CD2 4.12Å; A141-L187 HydrophobicContact CB-CG 3.76Å |
| 142 | V | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.9 | -30.3 | 176.9 | 174 | 0 | 0 | 0 | 0 | 111.5 | N139 P146 I162 F186 A401 L402 | N139-V142 HydrophobicContact CB-CB 3.91Å; N139-V142 HydrophobicContact CB-CG2 4.08Å; N139-V142 VanDerWaalsContact CG-CG2 3.42Å; N139-V142 PolarHBondContact O-N 3.38Å; N139-V142 WeakPolarHBondContact OD1-CG2 3.42Å; N139-V142 PolarHBondContact OD1-N 3.5Å; V142-P146 WeakPolarHBondContact O-CD 3.31Å; V142-P146 WeakPolarHBondContact O-CG 3.43Å; V142-I162 HydrophobicContact CG1-CD1 4.39Å; V142-I162 HydrophobicContact CG2-CD1 4.34Å; V142-I162 HydrophobicContact CG2-CG1 4.22Å; V142-I162 HydrophobicContact CG2-CG2 4.39Å; V142-F186 HydrophobicContact CG2-CD1 4.37Å; V142-A401 HydrophobicContact CG1-CB 4.25Å; V142-L402 HydrophobicContact CG1-CD1 4.36Å; V142-L402 HydrophobicContact CG1-CD2 4.34Å; V142-L402 HydrophobicContact CG1-CG 4.28Å |
| 143 | A | 97.5 | Very high | 96.3 | Very high | 7 Ų | 7 | 43.1 Ų | 43.1 | 6% | 0.058 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.2 | -44.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N139 A141 I391 V393 | N139-A143 WeakPolarHBondContact O-CB 3.46Å; N139-A143 PolarHBondContact O-N 3.32Å; A141-A143 VanDerWaalsContact C-N 3.27Å; A141-A143 PolarHBondContact O-N 2.97Å; A143-I391 HydrophobicContact CB-CD1 3.56Å; A143-I391 HydrophobicContact CB-CG1 4.02Å; A143-V393 HydrophobicContact CB-CG2 3.86Å |
| 144 | A | 97.3 | Very high | 96 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 10% | 0.099 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.8 | -44.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | L140 A141 H147 I148 K337 P338 | L140-A144 VanDerWaalsContact O-CB 3.22Å; L140-A144 WeakPolarHBondContact O-CB 3.42Å; L140-A144 PolarHBondContact O-N 3.41Å; A141-A144 PolarHBondContact O-N 3.45Å; A144-H147 WeakPolarHBondContact O-CB 3.45Å; A144-H147 PolarHBondContact O-N 2.93Å; A144-H147 VanDerWaalsContact O-N 3.14Å; A144-I148 WeakPolarHBondContact O-CG1 3.25Å; A144-I148 PolarHBondContact O-N 3.04Å; A144-K337 HydrophobicContact CB-CB 4.45Å; A144-K337 HydrophobicContact CB-CG 4.33Å; A144-P338 HydrophobicContact CB-CG 4.46Å |
| 145 | A | 95.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 5% | 0.05 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60 | -44.4 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | A141 H147 I148 Y149 L158 F186 | A141-A145 WeakPolarHBondContact O-CB 3.12Å; A141-A145 PolarHBondContact O-N 2.93Å; A145-H147 VanDerWaalsContact C-N 3.28Å; A145-H147 PolarHBondContact O-N 3.4Å; A145-I148 PolarHBondContact O-N 2.84Å; A145-Y149 HydrophobicContact CB-CD2 4.43Å; A145-Y149 WeakPolarHBondContact O-CB 3.47Å; A145-Y149 VanDerWaalsContact O-CD2 3.23Å; A145-Y149 WeakPolarHBondContact O-CD2 3.32Å; A145-Y149 PolarHBondContact O-N 3.34Å; A145-L158 HydrophobicContact CB-CD1 4.19Å; A145-F186 HydrophobicContact CB-CE1 3.77Å; A145-F186 HydrophobicContact CB-CZ 3.72Å |
| 146 | P | 94.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 7% | 0.065 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.9 | -26 | 178.3 | -21.9 | 37.8 | 0 | 0 | 0 | 113.6 | V142 I399 L402 | V142-P146 WeakPolarHBondContact O-CD 3.31Å; V142-P146 WeakPolarHBondContact O-CG 3.43Å; P146-I399 HydrophobicContact CB-CD1 3.42Å; P146-I399 VanDerWaalsContact CB-CD1 3.42Å; P146-I399 HydrophobicContact CG-CD1 3.17Å; P146-L402 HydrophobicContact CG-CD1 4.11Å |
| 147 | H | 95.4 | Very high | 95.4 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.3 | -43.4 | 175.1 | -179 | 93.6 | 0 | 0 | 0 | 111.3 | A144 A145 Q150 G336 P338 | A144-H147 WeakPolarHBondContact O-CB 3.45Å; A144-H147 PolarHBondContact O-N 2.93Å; A144-H147 VanDerWaalsContact O-N 3.14Å; A145-H147 VanDerWaalsContact C-N 3.28Å; A145-H147 PolarHBondContact O-N 3.4Å; H147-Q150 WeakPolarHBondContact O-CG 3.33Å; H147-Q150 PolarHBondContact O-NE2 3.13Å; H147-G336 PolarHBondContact CD2-O 3.35Å; H147-P338 HydrophobicContact CB-CB 4.19Å; H147-P338 HydrophobicContact CB-CG 3.86Å |
| 148 | I | 94.6 | Very high | 95.3 | Very high | 67 Ų | 67 | 44.1 Ų | 44.1 | 34% | 0.344 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -72.5 | -46.5 | 178.4 | -64.9 | 167 | 0 | 0 | 0 | 110.5 | A144 A145 G336 K337 | A144-I148 WeakPolarHBondContact O-CG1 3.25Å; A144-I148 PolarHBondContact O-N 3.04Å; A145-I148 PolarHBondContact O-N 2.84Å; I148-G336 WeakPolarHBondContact CG1-O 3.44Å; I148-K337 HydrophobicContact CD1-CG 4.08Å |
| 149 | Y | 93 | Very high | 95.2 | Very high | 98 Ų | 98 | 45 Ų | 45 | 38% | 0.384 | 24% | 0.238 | S | C | . | . | trans | -102.7 | 84.6 | -175.3 | -57 | -69.6 | 0 | 0 | 0 | 111.4 | A145 I154 Q155 L158 | A145-Y149 HydrophobicContact CB-CD2 4.43Å; A145-Y149 WeakPolarHBondContact O-CB 3.47Å; A145-Y149 VanDerWaalsContact O-CD2 3.23Å; A145-Y149 WeakPolarHBondContact O-CD2 3.32Å; A145-Y149 PolarHBondContact O-N 3.34Å; Y149-I154 HydrophobicContact CD1-CG2 4.49Å; Y149-I154 HydrophobicContact CG-CG2 4.15Å; Y149-Q155 WeakPolarHBondContact O-CG 3.48Å; Y149-Q155 PolarHBondContact O-NE2 3.02Å; Y149-L158 HydrophobicContact CD2-CD1 4.25Å | ||
| 150 | Q | 91.6 | Very high | 95.1 | Very high | 131 Ų | 131 | 49.9 Ų | 49.9 | 61% | 0.612 | 26% | 0.264 | S | S | * | . | trans | -82.1 | -12.1 | -177 | -60.9 | -172.5 | -2 | 0 | 0 | 114.2 | H147 S152 | H147-Q150 WeakPolarHBondContact O-CG 3.33Å; H147-Q150 PolarHBondContact O-NE2 3.13Å; Q150-S152 PolarHBondContact O-N 2.99Å | ||
| 151 | N | 94 | Very high | 95 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | trans | -62.1 | 127.7 | 178.8 | 179.4 | -69.1 | 0 | 0 | 0 | 111.3 | F153 I154 Q155 | N151-F153 VanDerWaalsContact C-N 3.33Å; N151-F153 PolarHBondContact O-N 3.27Å; N151-F153 WeakPolarHBondContact OD1-CB 3.49Å; N151-F153 PolarHBondContact OD1-N 2.63Å; N151-I154 HydrophobicContact CB-CB 4.25Å; N151-I154 HydrophobicContact CB-CD1 3.96Å; N151-I154 HydrophobicContact CB-CG1 4.01Å; N151-I154 PolarHBondContact O-N 2.9Å; N151-I154 VanDerWaalsContact O-N 3.13Å; N151-I154 PolarHBondContact OD1-N 3.23Å; N151-Q155 PolarHBondContact O-N 3.25Å | ||
| 152 | S | 92.3 | Very high | 95 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 59% | 0.587 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -58.1 | -36.6 | -175.6 | -64.5 | 0 | 0 | 0 | 0 | 114.8 | Q150 G156 | Q150-S152 PolarHBondContact O-N 2.99Å; S152-G156 PolarHBondContact O-N 3.5Å |
| 153 | F | 92.9 | Very high | 95 | Very high | 160 Ų | 160 | 55.6 Ų | 55.6 | 70% | 0.702 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.3 | -46.2 | 176.8 | 175 | -97.3 | 0 | 0 | 0 | 110.4 | N151 Q155 G156 V157 | N151-F153 VanDerWaalsContact C-N 3.33Å; N151-F153 PolarHBondContact O-N 3.27Å; N151-F153 WeakPolarHBondContact OD1-CB 3.49Å; N151-F153 PolarHBondContact OD1-N 2.63Å; F153-Q155 VanDerWaalsContact C-N 3.32Å; F153-Q155 PolarHBondContact O-N 3.28Å; F153-G156 PolarHBondContact O-N 2.97Å; F153-G156 VanDerWaalsContact O-N 3.09Å; F153-V157 HydrophobicContact CE1-CG2 4.2Å; F153-V157 HydrophobicContact CZ-CG2 4.4Å; F153-V157 PolarHBondContact O-N 3.19Å |
| 154 | I | 93 | Very high | 95 | Very high | 65 Ų | 65 | 62.8 Ų | 62.8 | 33% | 0.333 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -43.3 | 177.1 | -59.2 | -179.2 | 0 | 0 | 0 | 110.3 | Y149 N151 G156 V157 L158 | Y149-I154 HydrophobicContact CD1-CG2 4.49Å; Y149-I154 HydrophobicContact CG-CG2 4.15Å; N151-I154 HydrophobicContact CB-CB 4.25Å; N151-I154 HydrophobicContact CB-CD1 3.96Å; N151-I154 HydrophobicContact CB-CG1 4.01Å; N151-I154 PolarHBondContact O-N 2.9Å; N151-I154 VanDerWaalsContact O-N 3.13Å; N151-I154 PolarHBondContact OD1-N 3.23Å; I154-G156 VanDerWaalsContact C-N 3.26Å; I154-G156 PolarHBondContact O-N 3.14Å; I154-V157 WeakPolarHBondContact O-CB 3.45Å; I154-V157 PolarHBondContact O-N 3.16Å; I154-L158 HydrophobicContact CG2-CD1 4.16Å; I154-L158 HydrophobicContact CG2-CG 4.08Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 3.06Å |
| 155 | Q | 94.6 | Very high | 95 | Very high | 25 Ų | 25 | 63.2 Ų | 63.2 | 12% | 0.117 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.1 | -34 | 176.6 | -70.2 | -156.5 | 7 | 0 | 0 | 113.5 | Y149 N151 F153 L158 N159 K398 I399 | Y149-Q155 WeakPolarHBondContact O-CG 3.48Å; Y149-Q155 PolarHBondContact O-NE2 3.02Å; N151-Q155 PolarHBondContact O-N 3.25Å; F153-Q155 VanDerWaalsContact C-N 3.32Å; F153-Q155 PolarHBondContact O-N 3.28Å; Q155-L158 PolarHBondContact O-N 3.3Å; Q155-N159 WeakPolarHBondContact O-CB 3.37Å; Q155-N159 PolarHBondContact O-N 2.96Å; Q155-K398 HydrophobicContact CB-CB 3.93Å; Q155-I399 HydrophobicContact CB-CD1 4.47Å; Q155-I399 HydrophobicContact CB-CG1 4.37Å; Q155-I399 HydrophobicContact CG-CD1 4.45Å |
| 156 | G | 94.9 | Very high | 95 | Very high | 26 Ų | 26 | 72.3 Ų | 72.3 | 27% | 0.268 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S152 F153 I154 N159 N160 | S152-G156 PolarHBondContact O-N 3.5Å; F153-G156 PolarHBondContact O-N 2.97Å; F153-G156 VanDerWaalsContact O-N 3.09Å; I154-G156 VanDerWaalsContact C-N 3.26Å; I154-G156 PolarHBondContact O-N 3.14Å; G156-N159 PolarHBondContact O-N 3.19Å; G156-N160 PolarHBondContact O-N 3.02Å |
| 157 | V | 94.4 | Very high | 95.2 | Very high | 63 Ų | 63 | 72.7 Ų | 72.7 | 38% | 0.382 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.7 | -49 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | F153 I154 N159 N160 L161 | F153-V157 HydrophobicContact CE1-CG2 4.2Å; F153-V157 HydrophobicContact CZ-CG2 4.4Å; F153-V157 PolarHBondContact O-N 3.19Å; I154-V157 WeakPolarHBondContact O-CB 3.45Å; I154-V157 PolarHBondContact O-N 3.16Å; V157-N159 VanDerWaalsContact C-N 3.29Å; V157-N159 PolarHBondContact O-N 2.94Å; V157-N160 PolarHBondContact O-N 3.1Å; V157-N160 VanDerWaalsContact O-N 3.11Å; V157-L161 HydrophobicContact CG1-CD1 4.31Å; V157-L161 WeakPolarHBondContact O-CG 3.23Å; V157-L161 PolarHBondContact O-N 3.01Å; V157-L161 VanDerWaalsContact O-N 3.12Å |
| 158 | L | 95.3 | Very high | 95.3 | Very high | 8 Ų | 8 | 73.5 Ų | 73.5 | 4% | 0.042 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.3 | -43 | 178 | -63.9 | -179.8 | 0 | 0 | 0 | 111.3 | A145 Y149 I154 Q155 N160 L161 I162 F186 I190 | A145-L158 HydrophobicContact CB-CD1 4.19Å; Y149-L158 HydrophobicContact CD2-CD1 4.25Å; I154-L158 HydrophobicContact CG2-CD1 4.16Å; I154-L158 HydrophobicContact CG2-CG 4.08Å; I154-L158 WeakPolarHBondContact O-CG 3.41Å; I154-L158 PolarHBondContact O-N 3.06Å; Q155-L158 PolarHBondContact O-N 3.3Å; L158-N160 VanDerWaalsContact C-N 3.34Å; L158-N160 PolarHBondContact O-N 3.31Å; L158-L161 PolarHBondContact O-N 2.76Å; L158-I162 WeakPolarHBondContact O-CB 3.42Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.42Å; L158-I162 PolarHBondContact O-N 3.32Å; L158-F186 HydrophobicContact CB-CE2 4.48Å; L158-F186 HydrophobicContact CD2-CE2 4.01Å; L158-F186 HydrophobicContact CD2-CZ 3.94Å; L158-I190 HydrophobicContact CD2-CD1 4.23Å |
| 159 | N | 96.9 | Very high | 95.4 | Very high | 21 Ų | 21 | 70.6 Ų | 70.6 | 11% | 0.112 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 176.4 | -179.7 | 66.9 | 0 | 0 | 0 | 112.3 | Q155 G156 V157 L161 I162 K163 K398 I399 E400 | Q155-N159 WeakPolarHBondContact O-CB 3.37Å; Q155-N159 PolarHBondContact O-N 2.96Å; G156-N159 PolarHBondContact O-N 3.19Å; V157-N159 VanDerWaalsContact C-N 3.29Å; V157-N159 PolarHBondContact O-N 2.94Å; N159-L161 VanDerWaalsContact C-N 3.33Å; N159-L161 PolarHBondContact O-N 3.48Å; N159-I162 PolarHBondContact O-N 3.11Å; N159-K163 WeakPolarHBondContact O-CB 3.39Å; N159-K163 VanDerWaalsContact O-CG 3.29Å; N159-K163 WeakPolarHBondContact O-CG 3.29Å; N159-K163 PolarHBondContact O-N 2.93Å; N159-K398 VanDerWaalsContact CB-O 3.23Å; N159-K398 WeakPolarHBondContact CB-O 3.15Å; N159-K398 PolarHBondContact OD1-O 3.5Å; N159-I399 HydrophobicContact CB-CG1 4.36Å; N159-I399 WeakPolarHBondContact OD1-CA 3.44Å; N159-E400 WeakPolarHBondContact OD1-CB 3.23Å; N159-E400 PolarHBondContact OD1-N 3.45Å |
| 160 | N | 96.6 | Very high | 95.6 | Very high | 105 Ų | 105 | 66.5 Ų | 66.5 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.8 | -39.7 | 178 | -71.6 | -17.2 | 0 | 0 | 0 | 112 | G156 V157 L158 K163 K164 | G156-N160 PolarHBondContact O-N 3.02Å; V157-N160 PolarHBondContact O-N 3.1Å; V157-N160 VanDerWaalsContact O-N 3.11Å; L158-N160 VanDerWaalsContact C-N 3.34Å; L158-N160 PolarHBondContact O-N 3.31Å; N160-K163 PolarHBondContact O-N 3.01Å; N160-K164 WeakPolarHBondContact O-CB 3.31Å; N160-K164 PolarHBondContact O-N 3.02Å |
| 161 | L | 96.7 | Very high | 96 | Very high | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -70.7 | -40.3 | 177.3 | -60.1 | -179.9 | 0 | 0 | 0 | 112.4 | V157 L158 N159 K163 K164 S165 F186 L189 I190 | V157-L161 HydrophobicContact CG1-CD1 4.31Å; V157-L161 WeakPolarHBondContact O-CG 3.23Å; V157-L161 PolarHBondContact O-N 3.01Å; V157-L161 VanDerWaalsContact O-N 3.12Å; L158-L161 PolarHBondContact O-N 2.76Å; N159-L161 VanDerWaalsContact C-N 3.33Å; N159-L161 PolarHBondContact O-N 3.48Å; L161-K163 VanDerWaalsContact C-N 3.32Å; L161-K163 PolarHBondContact O-N 2.77Å; L161-K164 PolarHBondContact O-N 2.79Å; L161-S165 WeakPolarHBondContact O-CB 3.35Å; L161-S165 PolarHBondContact O-N 2.71Å; L161-S165 PolarHBondContact O-OG 2.81Å; L161-F186 HydrophobicContact CB-CD2 3.94Å; L161-F186 HydrophobicContact CB-CE2 4.13Å; L161-L189 HydrophobicContact CD2-CB 4.03Å; L161-I190 HydrophobicContact CD1-CG1 3.65Å |
| 162 | I | 97.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 60.9 Ų | 60.9 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -46.3 | 173.3 | -72.5 | 164.8 | 0 | 0 | 0 | 109.8 | V142 L158 N159 S165 K166 S167 F186 I399 A401 | V142-I162 HydrophobicContact CG1-CD1 4.39Å; V142-I162 HydrophobicContact CG2-CD1 4.34Å; V142-I162 HydrophobicContact CG2-CG1 4.22Å; V142-I162 HydrophobicContact CG2-CG2 4.39Å; L158-I162 WeakPolarHBondContact O-CB 3.42Å; L158-I162 VanDerWaalsContact O-CG1 3.24Å; L158-I162 WeakPolarHBondContact O-CG1 3.42Å; L158-I162 PolarHBondContact O-N 3.32Å; N159-I162 PolarHBondContact O-N 3.11Å; I162-S165 PolarHBondContact O-N 3.04Å; I162-S165 PolarHBondContact O-OG 3.39Å; I162-K166 PolarHBondContact O-N 2.84Å; I162-S167 WeakPolarHBondContact CG2-O 3.45Å; I162-S167 PolarHBondContact O-N 3.21Å; I162-F186 HydrophobicContact CD1-CE2 4.28Å; I162-F186 HydrophobicContact CD1-CZ 4.29Å; I162-F186 HydrophobicContact CG1-CD1 4.24Å; I162-F186 HydrophobicContact CG1-CD2 3.56Å; I162-F186 HydrophobicContact CG1-CE1 4.35Å; I162-F186 HydrophobicContact CG1-CE2 3.71Å; I162-F186 HydrophobicContact CG1-CG 3.84Å; I162-F186 HydrophobicContact CG1-CZ 4.1Å; I162-I399 HydrophobicContact CD1-CG2 3.84Å; I162-A401 HydrophobicContact CG2-CB 4.33Å |
| 163 | K | 97 | Very high | 96.5 | Very high | 111 Ų | 111 | 58.9 Ų | 58.9 | 48% | 0.483 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 176.6 | -71.5 | 178.7 | 68 | 147.8 | 0 | 112.5 | N159 N160 L161 S165 K166 E400 | N159-K163 WeakPolarHBondContact O-CB 3.39Å; N159-K163 VanDerWaalsContact O-CG 3.29Å; N159-K163 WeakPolarHBondContact O-CG 3.29Å; N159-K163 PolarHBondContact O-N 2.93Å; N160-K163 PolarHBondContact O-N 3.01Å; L161-K163 VanDerWaalsContact C-N 3.32Å; L161-K163 PolarHBondContact O-N 2.77Å; K163-S165 VanDerWaalsContact C-N 3.3Å; K163-S165 PolarHBondContact O-N 3.13Å; K163-K166 PolarHBondContact O-N 2.77Å; K163-E400 WeakPolarHBondContact CD-OE2 3.46Å; K163-E400 WeakPolarHBondContact CE-OE2 3.49Å; K163-E400 IonicContact NZ-OE2 3.98Å; K163-E400 PolarHBondContact NZ-OE2 3.05Å |
| 164 | K | 96.9 | Very high | 96.8 | Very high | 158 Ų | 158 | 51.9 Ų | 51.9 | 69% | 0.687 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -61.7 | -38 | -179.7 | -173.9 | 176.1 | 178.6 | -176.6 | 0 | 112.3 | N160 L161 K166 L189 | N160-K164 WeakPolarHBondContact O-CB 3.31Å; N160-K164 PolarHBondContact O-N 3.02Å; L161-K164 PolarHBondContact O-N 2.79Å; K164-K166 PolarHBondContact O-N 2.85Å; K164-L189 HydrophobicContact CB-CD1 4.03Å; K164-L189 HydrophobicContact CD-CD1 4.16Å; K164-L189 HydrophobicContact CG-CD1 4Å |
| 165 | S | 97.1 | Very high | 97 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 15% | 0.154 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -3.3 | 174.9 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | L161 I162 K163 S167 P185 F186 | L161-S165 WeakPolarHBondContact O-CB 3.35Å; L161-S165 PolarHBondContact O-N 2.71Å; L161-S165 PolarHBondContact O-OG 2.81Å; I162-S165 PolarHBondContact O-N 3.04Å; I162-S165 PolarHBondContact O-OG 3.39Å; K163-S165 VanDerWaalsContact C-N 3.3Å; K163-S165 PolarHBondContact O-N 3.13Å; S165-S167 PolarHBondContact O-N 3.05Å; S165-S167 WeakPolarHBondContact OG-CB 3.05Å; S165-S167 PolarHBondContact OG-OG 2.71Å; S165-P185 WeakPolarHBondContact CB-O 3.36Å; S165-F186 WeakPolarHBondContact OG-CA 3.14Å; S165-F186 WeakPolarHBondContact OG-CB 3.26Å |
| 166 | K | 96.9 | Very high | 97.2 | Very high | 197 Ų | 197 | 52.7 Ų | 52.7 | 86% | 0.857 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 30.4 | -172.5 | -55 | 178.4 | 179.4 | 178.8 | 0 | 112.8 | I162 K163 K164 | I162-K166 PolarHBondContact O-N 2.84Å; K163-K166 PolarHBondContact O-N 2.77Å; K164-K166 PolarHBondContact O-N 2.85Å |
| 167 | S | 97.3 | Very high | 97.4 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | trans | -77.7 | 144.9 | 177.3 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | I162 S165 F186 | I162-S167 WeakPolarHBondContact CG2-O 3.45Å; I162-S167 PolarHBondContact O-N 3.21Å; S165-S167 PolarHBondContact O-N 3.05Å; S165-S167 WeakPolarHBondContact OG-CB 3.05Å; S165-S167 PolarHBondContact OG-OG 2.71Å; S167-F186 WeakPolarHBondContact OG-CB 3.32Å | ||
| 168 | S | 97.3 | Very high | 97.6 | Very high | 60 Ų | 60 | 51.2 Ų | 51.2 | 42% | 0.42 | 25% | 0.252 | S | S | . | . | trans | -126.4 | 178 | -179.7 | 104.8 | 0 | 0 | 0 | 0 | 111.5 | N139 F170 | N139-S168 WeakPolarHBondContact CB-O 3.29Å; S168-F170 PolarHBondContact O-N 2.92Å; S168-F170 PolarHBondContact OG-N 2.86Å; S168-F170 PolarHBondContact OG-O 3.43Å | ||
| 169 | M | 97.3 | Very high | 97.8 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 3% | 0.034 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -58.7 | -35.8 | 174.9 | 178.6 | -179.7 | 174.6 | 0 | 0 | 112.5 | V76 A77 N139 V393 L402 L405 | V76-M169 HydrophobicContact CG1-CE 3.79Å; V76-M169 HydrophobicContact CG1-SD 4.27Å; A77-M169 HydrophobicContact CB-CB 4.33Å; A77-M169 HydrophobicContact CB-SD 4.15Å; N139-M169 WeakPolarHBondContact CB-O 3.29Å; N139-M169 PolarHBondContact N-O 2.96Å; M169-V393 HydrophobicContact CE-CG1 4.16Å; M169-L402 HydrophobicContact CB-CD2 4.11Å; M169-L402 HydrophobicContact CG-CD2 3.87Å; M169-L402 HydrophobicContact SD-CD2 4.37Å; M169-L405 HydrophobicContact CE-CD1 4.1Å; M169-L405 HydrophobicContact CE-CD2 3.97Å; M169-L405 HydrophobicContact SD-CD1 4.21Å; M169-L405 HydrophobicContact SD-CD2 3.86Å; M169-L405 HydrophobicContact SD-CG 4.43Å |
| 170 | F | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.048 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 161 | 176.9 | -63.8 | -83.3 | 0 | 0 | 0 | 110.3 | V70 P73 V76 T136 V137 P138 S168 | V70-F170 HydrophobicContact CB-CD1 4.36Å; V70-F170 HydrophobicContact CB-CE1 4.32Å; V70-F170 HydrophobicContact CG1-CD1 4.17Å; V70-F170 HydrophobicContact CG1-CE1 3.87Å; V70-F170 HydrophobicContact CG1-CZ 4.25Å; V70-F170 HydrophobicContact CG2-CD1 4.12Å; V70-F170 HydrophobicContact CG2-CE1 3.86Å; P73-F170 HydrophobicContact CB-CB 3.83Å; P73-F170 HydrophobicContact CB-CD1 4.42Å; P73-F170 HydrophobicContact CB-CD2 3.58Å; P73-F170 HydrophobicContact CB-CE2 4.25Å; P73-F170 HydrophobicContact CB-CG 3.68Å; P73-F170 WeakPolarHBondContact O-CD2 3.47Å; P73-F170 WeakPolarHBondContact O-CE2 3.48Å; V76-F170 HydrophobicContact CB-CE2 3.88Å; V76-F170 HydrophobicContact CB-CZ 4.12Å; V76-F170 HydrophobicContact CG1-CE2 3.89Å; V76-F170 HydrophobicContact CG1-CZ 3.89Å; T136-F170 HydrophobicContact CG2-CB 4.25Å; V137-F170 CarbonylContact O-C 3.44Å; V137-F170 WeakPolarHBondContact O-CA 3.32Å; P138-F170 HydrophobicContact CG-CE1 4.29Å; S168-F170 PolarHBondContact O-N 2.92Å; S168-F170 PolarHBondContact OG-N 2.86Å; S168-F170 PolarHBondContact OG-O 3.43Å |
| 171 | Q | 98.3 | Very high | 97.9 | Very high | 19 Ų | 19 | 48 Ų | 48 | 9% | 0.089 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 158.5 | 177.1 | 60.2 | 177.1 | -21 | 0 | 0 | 110.1 | T136 V137 P138 N139 R173 Y182 | T136-Q171 WeakPolarHBondContact CA-O 3.23Å; V137-Q171 HydrophobicContact CG2-CG 4.16Å; V137-Q171 PolarHBondContact N-O 2.83Å; V137-Q171 PolarHBondContact O-N 2.78Å; P138-Q171 PolarHBondContact O-NE2 3.33Å; N139-Q171 HydrophobicContact CB-CB 4.39Å; N139-Q171 HydrophobicContact CB-CG 4.16Å; Q171-R173 HydrophobicContact CG-CG 4.07Å; Q171-Y182 PolarHBondContact NE2-OH 3.34Å; Q171-Y182 PolarHBondContact OE1-OH 2.8Å |
| 172 | T | 98.6 | Very high | 98 | Very high | 88 Ų | 88 | 47.2 Ų | 47.2 | 54% | 0.54 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 126 | 170 | -53.3 | 0 | 0 | 0 | 0 | 109.1 | N134 F135 | N134-T172 HydrophobicContact CB-CG2 3.86Å; F135-T172 VanDerWaalsContact O-CA 3.27Å; F135-T172 WeakPolarHBondContact O-CA 3.28Å |
| 173 | R | 98.5 | Very high | 98 | Very high | 42 Ų | 42 | 54.4 Ų | 54.4 | 16% | 0.158 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 149.6 | 178.4 | -68.8 | -64.9 | 176.6 | -178.9 | -4.1 | 111 | N134 F135 Q171 E177 Y182 | N134-R173 CarbonylContact C-O 3.55Å; N134-R173 WeakPolarHBondContact CA-O 3.42Å; F135-R173 PolarHBondContact N-O 2.81Å; F135-R173 PolarHBondContact O-N 2.91Å; Q171-R173 HydrophobicContact CG-CG 4.07Å; R173-E177 HydrophobicContact CB-CB 4.35Å; R173-E177 IonicContact CZ-OE1 2.85Å; R173-E177 IonicContact NH1-OE1 3.32Å; R173-E177 PolarHBondContact NH1-OE1 3.19Å; R173-Y182 HydrophobicContact CG-CD1 4.46Å; R173-Y182 HydrophobicContact CG-CE1 4.23Å; R173-Y182 VanDerWaalsContact CZ-CE2 3.47Å; R173-Y182 VanDerWaalsContact NH2-CE2 3.31Å |
| 174 | S | 98.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 158.5 | 168.5 | 61.5 | 0 | 0 | 0 | 0 | 111 | D133 N134 K176 E177 L178 | D133-S174 CarbonylContact O-C 3.6Å; D133-S174 VanDerWaalsContact O-CA 3.27Å; D133-S174 WeakPolarHBondContact O-CA 3.45Å; N134-S174 WeakPolarHBondContact OD1-CA 3.5Å; N134-S174 PolarHBondContact OD1-N 2.62Å; S174-K176 PolarHBondContact O-N 2.96Å; S174-E177 PolarHBondContact N-OE2 3.26Å; S174-E177 PolarHBondContact O-N 3.46Å; S174-E177 WeakPolarHBondContact OG-CB 3.01Å; S174-E177 WeakPolarHBondContact OG-CG 3.24Å; S174-E177 PolarHBondContact OG-N 2.76Å; S174-E177 PolarHBondContact OG-OE2 3.32Å; S174-L178 WeakPolarHBondContact O-CB 3.27Å; S174-L178 PolarHBondContact O-N 3.36Å |
| 175 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -52.5 | -47.1 | 172.8 | -172.8 | 77.9 | 0 | 0 | 0 | 111.1 | I67 Y91 Y93 E131 D133 F135 E177 L178 L179 | I67-L175 HydrophobicContact CD1-CD1 3.84Å; I67-L175 HydrophobicContact CG1-CD1 3.68Å; Y91-L175 HydrophobicContact CD1-CD1 4.43Å; Y91-L175 HydrophobicContact CD1-CD2 3.43Å; Y91-L175 VanDerWaalsContact CD1-CD2 3.43Å; Y91-L175 HydrophobicContact CD1-CG 4.46Å; Y91-L175 HydrophobicContact CD2-CD1 3.79Å; Y91-L175 HydrophobicContact CD2-CD2 4.21Å; Y91-L175 HydrophobicContact CE1-CD2 4.16Å; Y91-L175 HydrophobicContact CE2-CD1 4.26Å; Y91-L175 HydrophobicContact CG-CD1 3.9Å; Y91-L175 HydrophobicContact CG-CD2 3.45Å; Y91-L175 VanDerWaalsContact CG-CD2 3.45Å; Y91-L175 HydrophobicContact CG-CG 4.3Å; Y93-L175 HydrophobicContact CE2-CD2 4.29Å; E131-L175 WeakPolarHBondContact O-CB 3.43Å; E131-L175 PolarHBondContact O-N 2.97Å; D133-L175 PolarHBondContact O-N 2.92Å; F135-L175 HydrophobicContact CE2-CB 3.9Å; F135-L175 HydrophobicContact CE2-CD1 3.9Å; F135-L175 HydrophobicContact CZ-CD1 4.27Å; L175-E177 PolarHBondContact O-N 2.79Å; L175-L178 PolarHBondContact O-N 3.36Å; L175-L179 HydrophobicContact CD1-CD1 3.96Å; L175-L179 HydrophobicContact CD1-CG 4.29Å; L175-L179 HydrophobicContact CD2-CD1 4.19Å; L175-L179 HydrophobicContact CG-CD1 3.78Å; L175-L179 HydrophobicContact CG-CG 4.26Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.29Å |
| 176 | K | 98.6 | Very high | 98 | Very high | 107 Ų | 107 | 43.1 Ų | 43.1 | 47% | 0.465 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.1 | -49.1 | -177.2 | -164.3 | 174.6 | -177.4 | 164.7 | 0 | 111.9 | E131 S174 W180 | E131-K176 HydrophobicContact CB-CB 4.12Å; E131-K176 PolarHBondContact O-N 3.14Å; S174-K176 PolarHBondContact O-N 2.96Å; K176-W180 WeakPolarHBondContact O-CB 3.44Å; K176-W180 PolarHBondContact O-N 3Å |
| 177 | E | 98.7 | Very high | 98 | Very high | 58 Ų | 58 | 34.6 Ų | 34.6 | 27% | 0.271 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.7 | -48 | 178 | -76.4 | 175.4 | 114.2 | 0 | 0 | 111.2 | R173 S174 L175 L179 G181 Y182 | R173-E177 HydrophobicContact CB-CB 4.35Å; R173-E177 IonicContact CZ-OE1 2.85Å; R173-E177 IonicContact NH1-OE1 3.32Å; R173-E177 PolarHBondContact NH1-OE1 3.19Å; S174-E177 PolarHBondContact N-OE2 3.26Å; S174-E177 PolarHBondContact O-N 3.46Å; S174-E177 WeakPolarHBondContact OG-CB 3.01Å; S174-E177 WeakPolarHBondContact OG-CG 3.24Å; S174-E177 PolarHBondContact OG-N 2.76Å; S174-E177 PolarHBondContact OG-OE2 3.32Å; L175-E177 PolarHBondContact O-N 2.79Å; E177-L179 PolarHBondContact O-N 3.49Å; E177-G181 CarbonylContact O-C 3.58Å; E177-G181 VanDerWaalsContact O-C 3.26Å; E177-G181 VanDerWaalsContact O-CA 3.3Å; E177-G181 WeakPolarHBondContact O-CA 3.42Å; E177-G181 PolarHBondContact O-N 3.29Å; E177-Y182 HydrophobicContact CB-CD1 4.09Å; E177-Y182 HydrophobicContact CB-CG 4.29Å |
| 178 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.1 | -45.3 | -177 | 179.6 | 61 | 0 | 0 | 0 | 112.1 | I67 V137 L140 S174 L175 G199 V200 I413 | I67-L178 HydrophobicContact CD1-CD2 4.21Å; I67-L178 HydrophobicContact CG2-CD2 3.87Å; V137-L178 HydrophobicContact CG1-CD2 4.02Å; V137-L178 HydrophobicContact CG2-CD1 4.06Å; V137-L178 HydrophobicContact CG2-CD2 4.48Å; L140-L178 HydrophobicContact CD1-CD1 4.29Å; S174-L178 WeakPolarHBondContact O-CB 3.27Å; S174-L178 PolarHBondContact O-N 3.36Å; L175-L178 PolarHBondContact O-N 3.36Å; L178-G199 WeakPolarHBondContact O-CA 3.36Å; L178-V200 HydrophobicContact CD1-CG2 3.99Å; L178-V200 HydrophobicContact CG-CG2 4.25Å; L178-V200 PolarHBondContact O-N 3.23Å; L178-I413 HydrophobicContact CD1-CG2 4.19Å; L178-I413 HydrophobicContact CD2-CG2 4.27Å |
| 179 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75.4 | -52.2 | -178 | -65.1 | -178.8 | 0 | 0 | 0 | 111.8 | F65 Y93 L175 E177 F201 L414 | F65-L179 HydrophobicContact CD1-CD2 4.14Å; F65-L179 HydrophobicContact CD2-CD1 3.69Å; F65-L179 HydrophobicContact CD2-CD2 4.43Å; F65-L179 HydrophobicContact CE1-CD2 4.26Å; F65-L179 HydrophobicContact CE2-CD1 3.85Å; F65-L179 HydrophobicContact CG-CD1 4.19Å; F65-L179 HydrophobicContact CG-CD2 4.22Å; F65-L179 HydrophobicContact CZ-CD1 4.46Å; F65-L179 HydrophobicContact CZ-CD2 4.42Å; Y93-L179 HydrophobicContact CE2-CD1 3.82Å; L175-L179 HydrophobicContact CD1-CD1 3.96Å; L175-L179 HydrophobicContact CD1-CG 4.29Å; L175-L179 HydrophobicContact CD2-CD1 4.19Å; L175-L179 HydrophobicContact CG-CD1 3.78Å; L175-L179 HydrophobicContact CG-CG 4.26Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.29Å; E177-L179 PolarHBondContact O-N 3.49Å; L179-F201 HydrophobicContact CB-CD2 4.44Å; L179-F201 HydrophobicContact CD2-CD2 3.87Å; L179-F201 HydrophobicContact CD2-CE2 3.78Å; L179-F201 WeakPolarHBondContact O-CA 3.21Å; L179-F201 WeakPolarHBondContact O-CB 3.35Å; L179-F201 PolarHBondContact O-N 2.87Å; L179-L414 HydrophobicContact CD2-CD2 3.5Å; L179-L414 VanDerWaalsContact CD2-CD2 3.5Å |
| 180 | W | 98.3 | Very high | 97.4 | Very high | 46 Ų | 46 | 37.9 Ų | 37.9 | 17% | 0.174 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -104.2 | -9.4 | -163.3 | -49.2 | 123.2 | 0 | 0 | 0 | 114.4 | F65 Y93 A120 K176 F201 Y202 Y204 | F65-W180 HydrophobicContact CE2-CH2 4.47Å; F65-W180 HydrophobicContact CE2-CZ2 4.42Å; F65-W180 HydrophobicContact CZ-CH2 4.47Å; Y93-W180 AromaticContact CD1-CZ2 3.73Å; Y93-W180 HydrophobicContact CD1-CZ2 3.73Å; Y93-W180 HydrophobicContact CD2-CZ2 4.34Å; Y93-W180 AromaticContact CE1-CE2 3.78Å; Y93-W180 AromaticContact CE1-CZ2 3.5Å; Y93-W180 HydrophobicContact CE1-CZ2 3.5Å; Y93-W180 AromaticContact CE1-NE1 3.48Å; Y93-W180 HydrophobicContact CE2-CZ2 4.16Å; Y93-W180 HydrophobicContact CG-CZ2 4.13Å; Y93-W180 AromaticContact CZ-CE2 3.92Å; Y93-W180 AromaticContact CZ-CZ2 3.72Å; Y93-W180 AromaticContact CZ-NE1 3.49Å; Y93-W180 PolarHBondContact OH-NE1 3.34Å; Y93-W180 VanDerWaalsContact OH-NE1 3.11Å; A120-W180 HydrophobicContact CB-CH2 3.55Å; A120-W180 HydrophobicContact CB-CZ2 3.8Å; A120-W180 HydrophobicContact CB-CZ3 4.32Å; K176-W180 WeakPolarHBondContact O-CB 3.44Å; K176-W180 PolarHBondContact O-N 3Å; W180-F201 HydrophobicContact CE3-CB 4.11Å; W180-F201 HydrophobicContact CZ3-CB 3.83Å; W180-F201 HydrophobicContact CZ3-CG 4.42Å; W180-Y202 VanDerWaalsContact O-CD2 3.24Å; W180-Y202 WeakPolarHBondContact O-CD2 3.07Å; W180-Y204 HydrophobicContact CE3-CD1 4.42Å; W180-Y204 HydrophobicContact CE3-CG 4.35Å; W180-Y204 HydrophobicContact CH2-CD1 4.12Å; W180-Y204 AromaticContact CZ3-CD1 3.59Å; W180-Y204 HydrophobicContact CZ3-CD1 3.59Å; W180-Y204 HydrophobicContact CZ3-CE1 4.39Å; W180-Y204 AromaticContact CZ3-CG 3.69Å; W180-Y204 HydrophobicContact CZ3-CG 3.69Å |
| 181 | G | 98.1 | Very high | 96.7 | Very high | 21 Ų | 21 | 42.5 Ų | 42.5 | 22% | 0.216 | 23% | 0.227 | C | C | . | . | trans | 120.8 | 144.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | E177 V198 | E177-G181 CarbonylContact O-C 3.58Å; E177-G181 VanDerWaalsContact O-C 3.26Å; E177-G181 VanDerWaalsContact O-CA 3.3Å; E177-G181 WeakPolarHBondContact O-CA 3.42Å; E177-G181 PolarHBondContact O-N 3.29Å; G181-V198 CarbonylContact C-O 3.53Å; G181-V198 VanDerWaalsContact CA-O 3.24Å; G181-V198 WeakPolarHBondContact CA-O 3.36Å | ||
| 182 | Y | 98.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 152.7 | 169.3 | 66.2 | -87.3 | 0 | 0 | 0 | 110 | Q171 R173 E177 D184 T197 V198 | Q171-Y182 PolarHBondContact NE2-OH 3.34Å; Q171-Y182 PolarHBondContact OE1-OH 2.8Å; R173-Y182 HydrophobicContact CG-CD1 4.46Å; R173-Y182 HydrophobicContact CG-CE1 4.23Å; R173-Y182 VanDerWaalsContact CZ-CE2 3.47Å; R173-Y182 VanDerWaalsContact NH2-CE2 3.31Å; E177-Y182 HydrophobicContact CB-CD1 4.09Å; E177-Y182 HydrophobicContact CB-CG 4.29Å; Y182-D184 HydrophobicContact CE2-CB 3.97Å; Y182-D184 PolarHBondContact O-N 3.23Å; Y182-T197 VanDerWaalsContact O-CA 3.29Å; Y182-T197 WeakPolarHBondContact O-CA 3.28Å; Y182-V198 HydrophobicContact CD1-CG2 4.21Å; Y182-V198 VanDerWaalsContact CD1-O 3.29Å; Y182-V198 WeakPolarHBondContact CD1-O 3.46Å; Y182-V198 HydrophobicContact CD2-CG2 4.3Å; Y182-V198 HydrophobicContact CE1-CG2 3.55Å; Y182-V198 HydrophobicContact CE2-CG2 3.63Å; Y182-V198 PolarHBondContact N-O 3.01Å; Y182-V198 PolarHBondContact O-N 2.91Å; Y182-V198 WeakPolarHBondContact OH-CG2 3.23Å |
| 183 | K | 97.8 | Very high | 95.2 | Very high | 156 Ų | 156 | 52.1 Ų | 52.1 | 68% | 0.678 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 115.6 | 171.5 | -72.8 | -172.8 | 178.7 | -178.2 | 0 | 109.2 | ||
| 184 | D | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -76.3 | 126.9 | 179.6 | -175.4 | -90.2 | 0 | 0 | 0 | 110.8 | A141 Y182 F186 L187 S188 T196 V198 | A141-D184 HydrophobicContact CB-CB 4.26Å; A141-D184 VanDerWaalsContact CB-CG 3.47Å; Y182-D184 HydrophobicContact CE2-CB 3.97Å; Y182-D184 PolarHBondContact O-N 3.23Å; D184-F186 VanDerWaalsContact C-N 3.29Å; D184-F186 PolarHBondContact O-N 2.9Å; D184-F186 WeakPolarHBondContact OD1-CA 3.39Å; D184-F186 WeakPolarHBondContact OD1-CB 3.42Å; D184-F186 PolarHBondContact OD1-N 2.77Å; D184-L187 HydrophobicContact CB-CB 4.07Å; D184-L187 HydrophobicContact CB-CD1 4.03Å; D184-L187 HydrophobicContact CB-CG 3.97Å; D184-L187 PolarHBondContact O-N 2.97Å; D184-L187 PolarHBondContact OD1-N 2.73Å; D184-S188 VanDerWaalsContact O-CB 3.31Å; D184-S188 WeakPolarHBondContact O-CB 3.28Å; D184-S188 PolarHBondContact O-N 3.49Å; D184-S188 PolarHBondContact O-OG 3.36Å; D184-T196 PolarHBondContact N-O 3.5Å; D184-V198 HydrophobicContact CB-CG2 4.03Å | ||
| 185 | P | 96.9 | Very high | 94.4 | Very high | 54 Ų | 54 | 55.8 Ų | 55.8 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -27.5 | -176 | 28.5 | -35.5 | 0 | 0 | 0 | 112.5 | S165 L189 | S165-P185 WeakPolarHBondContact CB-O 3.36Å; P185-L189 WeakPolarHBondContact O-CG 3.3Å |
| 186 | F | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -48.8 | 175.1 | 144.9 | -118.4 | 0 | 0 | 0 | 110.8 | A141 V142 A145 L158 L161 I162 S165 S167 D184 S188 L189 I190 | A141-F186 HydrophobicContact CB-CD1 3.74Å; A141-F186 HydrophobicContact CB-CE1 4.04Å; V142-F186 HydrophobicContact CG2-CD1 4.37Å; A145-F186 HydrophobicContact CB-CE1 3.77Å; A145-F186 HydrophobicContact CB-CZ 3.72Å; L158-F186 HydrophobicContact CB-CE2 4.48Å; L158-F186 HydrophobicContact CD2-CE2 4.01Å; L158-F186 HydrophobicContact CD2-CZ 3.94Å; L161-F186 HydrophobicContact CB-CD2 3.94Å; L161-F186 HydrophobicContact CB-CE2 4.13Å; I162-F186 HydrophobicContact CD1-CE2 4.28Å; I162-F186 HydrophobicContact CD1-CZ 4.29Å; I162-F186 HydrophobicContact CG1-CD1 4.24Å; I162-F186 HydrophobicContact CG1-CD2 3.56Å; I162-F186 HydrophobicContact CG1-CE1 4.35Å; I162-F186 HydrophobicContact CG1-CE2 3.71Å; I162-F186 HydrophobicContact CG1-CG 3.84Å; I162-F186 HydrophobicContact CG1-CZ 4.1Å; S165-F186 WeakPolarHBondContact OG-CA 3.14Å; S165-F186 WeakPolarHBondContact OG-CB 3.26Å; S167-F186 WeakPolarHBondContact OG-CB 3.32Å; D184-F186 VanDerWaalsContact C-N 3.29Å; D184-F186 PolarHBondContact O-N 2.9Å; D184-F186 WeakPolarHBondContact OD1-CA 3.39Å; D184-F186 WeakPolarHBondContact OD1-CB 3.42Å; D184-F186 PolarHBondContact OD1-N 2.77Å; F186-S188 PolarHBondContact O-N 2.69Å; F186-L189 PolarHBondContact O-N 2.81Å; F186-L189 VanDerWaalsContact O-N 3.13Å; F186-I190 HydrophobicContact CE2-CD1 4.04Å; F186-I190 HydrophobicContact CE2-CG1 4.48Å; F186-I190 HydrophobicContact CZ-CD1 4.1Å |
| 187 | L | 95.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.089 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -64 | -33 | 179.1 | -61.3 | -177.9 | 0 | 0 | 0 | 112.1 | A141 D184 L189 I190 I194 T196 V198 | A141-L187 HydrophobicContact CB-CD1 3.83Å; A141-L187 HydrophobicContact CB-CD2 4.12Å; A141-L187 HydrophobicContact CB-CG 3.76Å; D184-L187 HydrophobicContact CB-CB 4.07Å; D184-L187 HydrophobicContact CB-CD1 4.03Å; D184-L187 HydrophobicContact CB-CG 3.97Å; D184-L187 PolarHBondContact O-N 2.97Å; D184-L187 PolarHBondContact OD1-N 2.73Å; L187-L189 PolarHBondContact O-N 3.26Å; L187-L189 VanDerWaalsContact O-N 3.15Å; L187-I190 HydrophobicContact CD2-CD1 3.79Å; L187-I190 WeakPolarHBondContact O-CB 3.3Å; L187-I190 PolarHBondContact O-N 3.03Å; L187-I194 HydrophobicContact CB-CD1 4.12Å; L187-I194 HydrophobicContact CD2-CD1 3.91Å; L187-I194 HydrophobicContact CG-CD1 4.49Å; L187-T196 HydrophobicContact CB-CG2 4.39Å; L187-V198 HydrophobicContact CD1-CG1 3.47Å; L187-V198 VanDerWaalsContact CD1-CG1 3.47Å |
| 188 | S | 95.4 | Very high | 94.1 | Very high | 62 Ų | 62 | 52.4 Ų | 52.4 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -63.7 | -16.2 | 177 | -61.4 | 0 | 0 | 0 | 0 | 114 | D184 F186 | D184-S188 VanDerWaalsContact O-CB 3.31Å; D184-S188 WeakPolarHBondContact O-CB 3.28Å; D184-S188 PolarHBondContact O-N 3.49Å; D184-S188 PolarHBondContact O-OG 3.36Å; F186-S188 PolarHBondContact O-N 2.69Å |
| 189 | L | 94.9 | Very high | 94.1 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -92.8 | -3.9 | 175.7 | -61.8 | 176.4 | 0 | 0 | 0 | 113.3 | L161 K164 P185 F186 L187 | L161-L189 HydrophobicContact CD2-CB 4.03Å; K164-L189 HydrophobicContact CB-CD1 4.03Å; K164-L189 HydrophobicContact CD-CD1 4.16Å; K164-L189 HydrophobicContact CG-CD1 4Å; P185-L189 WeakPolarHBondContact O-CG 3.3Å; F186-L189 PolarHBondContact O-N 2.81Å; F186-L189 VanDerWaalsContact O-N 3.13Å; L187-L189 PolarHBondContact O-N 3.26Å; L187-L189 VanDerWaalsContact O-N 3.15Å |
| 190 | I | 90.5 | Very high | 94 | Very high | 30 Ų | 30 | 54.7 Ų | 54.7 | 15% | 0.154 | 31% | 0.308 | C | S | . | . | trans | -75.9 | 124.1 | 179.8 | -69.1 | 175.4 | 0 | 0 | 0 | 108.6 | L158 L161 F186 L187 Y192 I194 | L158-I190 HydrophobicContact CD2-CD1 4.23Å; L161-I190 HydrophobicContact CD1-CG1 3.65Å; F186-I190 HydrophobicContact CE2-CD1 4.04Å; F186-I190 HydrophobicContact CE2-CG1 4.48Å; F186-I190 HydrophobicContact CZ-CD1 4.1Å; L187-I190 HydrophobicContact CD2-CD1 3.79Å; L187-I190 WeakPolarHBondContact O-CB 3.3Å; L187-I190 PolarHBondContact O-N 3.03Å; I190-Y192 HydrophobicContact CG2-CD2 4.4Å; I190-Y192 PolarHBondContact O-N 2.88Å; I190-I194 HydrophobicContact CB-CD1 3.79Å; I190-I194 HydrophobicContact CB-CG1 4.29Å; I190-I194 HydrophobicContact CD1-CD1 3.44Å; I190-I194 VanDerWaalsContact CD1-CD1 3.44Å; I190-I194 HydrophobicContact CG1-CD1 4.13Å; I190-I194 HydrophobicContact CG2-CD1 3.83Å; I190-I194 HydrophobicContact CG2-CG1 4.13Å | ||
| 191 | P | 83.4 | Confident | 94 | Very high | 108 Ų | 108 | 54.3 Ų | 54.3 | 70% | 0.701 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -77.1 | -2.7 | -173.9 | 31 | -36.4 | 0 | 0 | 0 | 114.2 | ||
| 192 | Y | 81.1 | Confident | 93.9 | Very high | 174 Ų | 174 | 58.2 Ų | 58.2 | 68% | 0.682 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -102.5 | 150.6 | 179.8 | -62 | -75.7 | 0 | 0 | 0 | 110.8 | I190 I194 | I190-Y192 HydrophobicContact CG2-CD2 4.4Å; I190-Y192 PolarHBondContact O-N 2.88Å; Y192-I194 PolarHBondContact O-N 3.48Å |
| 193 | P | 85 | Confident | 93.8 | Very high | 136 Ų | 136 | 61.6 Ų | 61.6 | 88% | 0.883 | 34% | 0.34 | S | S | * | . | trans | -67.1 | 100.6 | -178.4 | 27.3 | -34 | 0 | 0 | 0 | 110.8 | ||||
| 194 | I | 88.5 | Confident | 93.8 | Very high | 57 Ų | 57 | 55.4 Ų | 55.4 | 29% | 0.292 | 31% | 0.313 | S | S | . | . | trans | -130.8 | 157.5 | 173.9 | 64 | 162.7 | 0 | 0 | 0 | 110 | L187 I190 Y192 T196 | L187-I194 HydrophobicContact CB-CD1 4.12Å; L187-I194 HydrophobicContact CD2-CD1 3.91Å; L187-I194 HydrophobicContact CG-CD1 4.49Å; I190-I194 HydrophobicContact CB-CD1 3.79Å; I190-I194 HydrophobicContact CB-CG1 4.29Å; I190-I194 HydrophobicContact CD1-CD1 3.44Å; I190-I194 VanDerWaalsContact CD1-CD1 3.44Å; I190-I194 HydrophobicContact CG1-CD1 4.13Å; I190-I194 HydrophobicContact CG2-CD1 3.83Å; I190-I194 HydrophobicContact CG2-CG1 4.13Å; Y192-I194 PolarHBondContact O-N 3.48Å; I194-T196 PolarHBondContact O-N 3.22Å | ||
| 195 | S | 90.6 | Very high | 93.6 | Very high | 75 Ų | 75 | 59.2 Ų | 59.2 | 52% | 0.524 | 33% | 0.333 | S | S | . | . | trans | -66.3 | 119.7 | 168.1 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | T197 | S195-T197 PolarHBondContact OG-O 2.6Š| ||
| 196 | T | 95.7 | Very high | 93.4 | Very high | 42 Ų | 42 | 64.7 Ų | 64.7 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | trans | -91.2 | -14 | 177.2 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | D184 L187 I194 | D184-T196 PolarHBondContact N-O 3.5Å; L187-T196 HydrophobicContact CB-CG2 4.39Å; I194-T196 PolarHBondContact O-N 3.22Å | ||
| 197 | T | 97.2 | Very high | 93.4 | Very high | 29 Ų | 29 | 66.5 Ų | 66.5 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 128.6 | 176.7 | -51.3 | 0 | 0 | 0 | 0 | 109.9 | Y182 S195 Y202 | Y182-T197 VanDerWaalsContact O-CA 3.29Å; Y182-T197 WeakPolarHBondContact O-CA 3.28Å; S195-T197 PolarHBondContact OG-O 2.6Å; T197-Y202 HydrophobicContact CG2-CD1 3.88Å; T197-Y202 HydrophobicContact CG2-CD2 3.85Å; T197-Y202 HydrophobicContact CG2-CE1 3.64Å; T197-Y202 HydrophobicContact CG2-CE2 3.58Å; T197-Y202 HydrophobicContact CG2-CG 3.98Å; T197-Y202 VanDerWaalsContact CG2-CZ 3.47Å |
| 198 | V | 97.5 | Very high | 93.5 | Very high | 22 Ų | 22 | 69.4 Ų | 69.4 | 13% | 0.133 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143.3 | 178.8 | -58 | 0 | 0 | 0 | 0 | 110.1 | G181 Y182 D184 L187 | G181-V198 CarbonylContact C-O 3.53Å; G181-V198 VanDerWaalsContact CA-O 3.24Å; G181-V198 WeakPolarHBondContact CA-O 3.36Å; Y182-V198 HydrophobicContact CD1-CG2 4.21Å; Y182-V198 VanDerWaalsContact CD1-O 3.29Å; Y182-V198 WeakPolarHBondContact CD1-O 3.46Å; Y182-V198 HydrophobicContact CD2-CG2 4.3Å; Y182-V198 HydrophobicContact CE1-CG2 3.55Å; Y182-V198 HydrophobicContact CE2-CG2 3.63Å; Y182-V198 PolarHBondContact N-O 3.01Å; Y182-V198 PolarHBondContact O-N 2.91Å; Y182-V198 WeakPolarHBondContact OH-CG2 3.23Å; D184-V198 HydrophobicContact CB-CG2 4.03Å; L187-V198 HydrophobicContact CD1-CG1 3.47Å; L187-V198 VanDerWaalsContact CD1-CG1 3.47Å |
| 199 | G | 97.6 | Very high | 93.5 | Very high | 17 Ų | 17 | 67.6 Ų | 67.6 | 18% | 0.175 | 37% | 0.374 | C | S | . | . | trans | -172.6 | 157.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L178 F201 Y202 | L178-G199 WeakPolarHBondContact O-CA 3.36Å; G199-F201 VanDerWaalsContact C-N 3.3Å; G199-F201 PolarHBondContact O-N 3.3Å; G199-Y202 PolarHBondContact O-N 2.59Å | ||
| 200 | V | 97.9 | Very high | 93.4 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 19% | 0.194 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -38 | -175.6 | 179.3 | 0 | 0 | 0 | 0 | 111.5 | L140 L178 V389 I413 L414 | L140-V200 HydrophobicContact CD1-CG2 4.42Å; L178-V200 HydrophobicContact CD1-CG2 3.99Å; L178-V200 HydrophobicContact CG-CG2 4.25Å; L178-V200 PolarHBondContact O-N 3.23Å; V200-V389 HydrophobicContact CG1-CB 4.28Å; V200-V389 HydrophobicContact CG1-CG1 3.99Å; V200-V389 HydrophobicContact CG1-CG2 4.19Å; V200-I413 HydrophobicContact CG2-CG2 4.05Å; V200-L414 HydrophobicContact CB-CD2 4.31Å; V200-L414 HydrophobicContact CG1-CD2 4.12Å; V200-L414 HydrophobicContact CG2-CD2 4.09Å |
| 201 | F | 97.5 | Very high | 93.8 | Very high | 38 Ų | 38 | 67.6 Ų | 67.6 | 17% | 0.167 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 18 | 178.6 | -57.7 | -80.2 | 0 | 0 | 0 | 112.2 | F65 L179 W180 G199 P203 Y204 L414 L416 | F65-F201 HydrophobicContact CD1-CE2 4.16Å; F65-F201 HydrophobicContact CE1-CD2 4.22Å; F65-F201 AromaticContact CE1-CE2 3.36Å; F65-F201 HydrophobicContact CE1-CE2 3.36Å; F65-F201 AromaticContact CE1-CZ 3.59Å; F65-F201 HydrophobicContact CE1-CZ 3.59Å; F65-F201 HydrophobicContact CZ-CD2 4.31Å; F65-F201 AromaticContact CZ-CE2 3.88Å; F65-F201 HydrophobicContact CZ-CE2 3.88Å; F65-F201 HydrophobicContact CZ-CZ 4.28Å; L179-F201 HydrophobicContact CB-CD2 4.44Å; L179-F201 HydrophobicContact CD2-CD2 3.87Å; L179-F201 HydrophobicContact CD2-CE2 3.78Å; L179-F201 WeakPolarHBondContact O-CA 3.21Å; L179-F201 WeakPolarHBondContact O-CB 3.35Å; L179-F201 PolarHBondContact O-N 2.87Å; W180-F201 HydrophobicContact CE3-CB 4.11Å; W180-F201 HydrophobicContact CZ3-CB 3.83Å; W180-F201 HydrophobicContact CZ3-CG 4.42Å; G199-F201 VanDerWaalsContact C-N 3.3Å; G199-F201 PolarHBondContact O-N 3.3Å; F201-P203 CarbonylContact O-C 3.54Å; F201-Y204 VanDerWaalsContact O-CB 3.31Å; F201-Y204 WeakPolarHBondContact O-CB 3.38Å; F201-Y204 PolarHBondContact O-N 3.17Å; F201-L414 HydrophobicContact CE2-CD1 4.25Å; F201-L414 HydrophobicContact CE2-CD2 4.23Å; F201-L414 HydrophobicContact CZ-CD1 4.26Å; F201-L416 HydrophobicContact CE1-CD2 4.13Å; F201-L416 HydrophobicContact CZ-CD2 3.67Å |
| 202 | Y | 96.7 | Very high | 94.5 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 40% | 0.404 | 35% | 0.35 | S | S | . | . | trans | -81.5 | 133.8 | 179.5 | 174.6 | -98.1 | 0 | 0 | 0 | 111.9 | W180 T197 G199 | W180-Y202 VanDerWaalsContact O-CD2 3.24Å; W180-Y202 WeakPolarHBondContact O-CD2 3.07Å; T197-Y202 HydrophobicContact CG2-CD1 3.88Å; T197-Y202 HydrophobicContact CG2-CD2 3.85Å; T197-Y202 HydrophobicContact CG2-CE1 3.64Å; T197-Y202 HydrophobicContact CG2-CE2 3.58Å; T197-Y202 HydrophobicContact CG2-CG 3.98Å; T197-Y202 VanDerWaalsContact CG2-CZ 3.47Å; G199-Y202 PolarHBondContact O-N 2.59Å | ||
| 203 | P | 96.5 | Very high | 95.3 | Very high | 81 Ų | 81 | 56.6 Ų | 56.6 | 53% | 0.526 | 33% | 0.325 | S | S | . | . | S | Bend | cis | -77 | 154 | -15.5 | 32.7 | -34.6 | 0 | 0 | 0 | 112 | F201 T207 | F201-P203 CarbonylContact O-C 3.54Å; P203-T207 HydrophobicContact CB-CG2 3.82Å; P203-T207 HydrophobicContact CG-CG2 3.95Å |
| 204 | Y | 96.4 | Very high | 96 | Very high | 26 Ų | 26 | 50.4 Ų | 50.4 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | trans | -126.8 | -70.2 | 175.7 | -163 | -111.8 | 0 | 0 | 0 | 112.6 | R63 N118 A120 W180 F201 T207 | R63-Y204 PolarHBondContact NH1-OH 3.27Å; R63-Y204 PolarHBondContact NH2-OH 3.04Å; N118-Y204 HydrophobicContact CB-CD1 4.38Å; N118-Y204 HydrophobicContact CB-CD2 4.1Å; N118-Y204 HydrophobicContact CB-CE1 4.18Å; N118-Y204 HydrophobicContact CB-CE2 3.85Å; N118-Y204 HydrophobicContact CB-CG 4.34Å; N118-Y204 VanDerWaalsContact CB-O 3.29Å; N118-Y204 WeakPolarHBondContact CB-O 3.43Å; A120-Y204 HydrophobicContact CB-CD1 3.98Å; A120-Y204 HydrophobicContact CB-CE1 3.85Å; W180-Y204 HydrophobicContact CE3-CD1 4.42Å; W180-Y204 HydrophobicContact CE3-CG 4.35Å; W180-Y204 HydrophobicContact CH2-CD1 4.12Å; W180-Y204 AromaticContact CZ3-CD1 3.59Å; W180-Y204 HydrophobicContact CZ3-CD1 3.59Å; W180-Y204 HydrophobicContact CZ3-CE1 4.39Å; W180-Y204 AromaticContact CZ3-CG 3.69Å; W180-Y204 HydrophobicContact CZ3-CG 3.69Å; F201-Y204 VanDerWaalsContact O-CB 3.31Å; F201-Y204 WeakPolarHBondContact O-CB 3.38Å; F201-Y204 PolarHBondContact O-N 3.17Å; Y204-T207 WeakPolarHBondContact O-CB 3.43Å; Y204-T207 WeakPolarHBondContact O-CG2 3.19Å; Y204-T207 PolarHBondContact O-N 3.3Å; Y204-T207 PolarHBondContact O-OG1 2.61Å | ||
| 205 | N | 93.8 | Very high | 96.5 | Very high | 79 Ų | 79 | 49.3 Ų | 49.3 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 144.2 | -179.2 | -74 | -0.4 | 0 | 0 | 0 | 110.9 | G119 A120 T207 | G119-N205 WeakPolarHBondContact CA-OD1 3.33Å; A120-N205 PolarHBondContact N-OD1 3.26Å; N205-T207 PolarHBondContact O-N 3.19Å |
| 206 | N | 93.5 | Very high | 96.8 | Very high | 170 Ų | 170 | 46 Ų | 46 | 91% | 0.909 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 19.6 | -176.9 | -48.5 | -42.6 | 0 | 0 | 0 | 114.3 | N118 | N118-N206 PolarHBondContact O-N 3.43Š|
| 207 | T | 96.3 | Very high | 96.8 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 23% | 0.227 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 162.8 | 169.3 | 72.5 | 0 | 0 | 0 | 0 | 110 | N118 P203 Y204 N205 | N118-T207 WeakPolarHBondContact CB-OG1 3.3Å; N118-T207 PolarHBondContact N-O 3.24Å; N118-T207 PolarHBondContact ND2-OG1 3.29Å; P203-T207 HydrophobicContact CB-CG2 3.82Å; P203-T207 HydrophobicContact CG-CG2 3.95Å; Y204-T207 WeakPolarHBondContact O-CB 3.43Å; Y204-T207 WeakPolarHBondContact O-CG2 3.19Å; Y204-T207 PolarHBondContact O-N 3.3Å; Y204-T207 PolarHBondContact O-OG1 2.61Å; N205-T207 PolarHBondContact O-N 3.19Å |
| 208 | V | 96.5 | Very high | 96.7 | Very high | 78 Ų | 78 | 48.6 Ų | 48.6 | 47% | 0.473 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 145 | 172.9 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | V115 Q116 P117 | V115-V208 HydrophobicContact CB-CB 4.1Å; V115-V208 HydrophobicContact CB-CG2 4.31Å; V115-V208 HydrophobicContact CG1-CG2 4.5Å; V115-V208 HydrophobicContact CG2-CB 4.19Å; V115-V208 HydrophobicContact CG2-CG1 4.21Å; V115-V208 HydrophobicContact CG2-CG2 4.49Å; Q116-V208 WeakPolarHBondContact O-CA 3.17Å; P117-V208 HydrophobicContact CB-CG1 4.35Å; P117-V208 HydrophobicContact CG-CG1 4.39Å |
| 209 | D | 95.9 | Very high | 96.5 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.134 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.8 | 169.3 | -173.7 | 33.7 | 0 | 0 | 0 | 110.9 | V115 Q116 Y212 Y230 P269 | V115-D209 WeakPolarHBondContact CA-O 3.38Å; Q116-D209 PolarHBondContact N-O 3.2Å; Q116-D209 PolarHBondContact O-N 3.22Å; D209-Y212 HydrophobicContact CB-CE2 4.36Å; D209-Y212 WeakPolarHBondContact OD2-CE2 3.44Å; D209-Y212 PolarHBondContact OD2-OH 3.46Å; D209-Y230 WeakPolarHBondContact OD1-CE2 3.5Å; D209-Y230 PolarHBondContact OD1-OH 2.94Å; D209-P269 WeakPolarHBondContact OD2-CG 3.36Å |
| 210 | G | 94.3 | Very high | 96.4 | Very high | 15 Ų | 15 | 53.8 Ų | 53.8 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.3 | -164 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K231 | G210-K231 WeakPolarHBondContact O-CE 3.39Å; G210-K231 VanDerWaalsContact O-CG 3.27Å; G210-K231 WeakPolarHBondContact O-CG 3.24Å |
| 211 | V | 97.9 | Very high | 96.3 | Very high | 76 Ų | 76 | 53 Ų | 53 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -68.8 | 136 | 6.1 | -175.8 | 0 | 0 | 0 | 0 | 112.4 | V115 K231 | V115-V211 HydrophobicContact CG1-CB 4.41Å; V115-V211 HydrophobicContact CG1-CG2 3.85Å; V211-K231 PolarHBondContact O-N 3.47Å |
| 212 | Y | 98.5 | Very high | 96.3 | Very high | 13 Ų | 13 | 55.7 Ų | 55.7 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 134.9 | 167.3 | -72.7 | -93.4 | 0 | 0 | 0 | 109.3 | S113 F114 D209 I227 Y230 F267 P269 | S113-Y212 CarbonylContact C-O 3.58Å; S113-Y212 WeakPolarHBondContact CA-O 3.01Å; F114-Y212 HydrophobicContact CE1-CG 4.06Å; F114-Y212 AromaticContact CE2-CD2 3.95Å; F114-Y212 HydrophobicContact CE2-CD2 3.95Å; F114-Y212 HydrophobicContact CE2-CG 4.17Å; F114-Y212 HydrophobicContact CZ-CD1 4.37Å; F114-Y212 AromaticContact CZ-CD2 3.99Å; F114-Y212 HydrophobicContact CZ-CD2 3.99Å; F114-Y212 AromaticContact CZ-CG 3.73Å; F114-Y212 HydrophobicContact CZ-CG 3.73Å; F114-Y212 PolarHBondContact N-O 2.85Å; F114-Y212 PolarHBondContact O-N 3.05Å; D209-Y212 HydrophobicContact CB-CE2 4.36Å; D209-Y212 WeakPolarHBondContact OD2-CE2 3.44Å; D209-Y212 PolarHBondContact OD2-OH 3.46Å; Y212-I227 HydrophobicContact CD1-CD1 4.25Å; Y212-I227 HydrophobicContact CD1-CG1 4.36Å; Y212-I227 HydrophobicContact CE1-CD1 4.2Å; Y212-Y230 AromaticContact CD1-CD2 3.85Å; Y212-Y230 HydrophobicContact CD1-CD2 3.85Å; Y212-Y230 HydrophobicContact CD2-CD2 4.23Å; Y212-Y230 HydrophobicContact CD2-CE2 4.36Å; Y212-Y230 AromaticContact CE1-CD2 3.52Å; Y212-Y230 HydrophobicContact CE1-CD2 3.52Å; Y212-Y230 AromaticContact CE1-CE2 3.94Å; Y212-Y230 HydrophobicContact CE1-CE2 3.94Å; Y212-Y230 HydrophobicContact CE1-CG 4.48Å; Y212-Y230 AromaticContact CE2-CD2 3.93Å; Y212-Y230 HydrophobicContact CE2-CD2 3.93Å; Y212-Y230 AromaticContact CE2-CE2 3.7Å; Y212-Y230 HydrophobicContact CE2-CE2 3.7Å; Y212-Y230 HydrophobicContact CG-CD2 4.19Å; Y212-Y230 AromaticContact CZ-CD2 3.55Å; Y212-Y230 AromaticContact CZ-CE2 3.45Å; Y212-Y230 VanDerWaalsContact CZ-CE2 3.45Å; Y212-Y230 WeakPolarHBondContact OH-CE2 3.29Å; Y212-F267 HydrophobicContact CE1-CD1 4.28Å; Y212-F267 HydrophobicContact CE1-CE1 4.37Å; Y212-P269 WeakPolarHBondContact OH-CG 3.06Å |
| 213 | K | 98.4 | Very high | 96.3 | Very high | 38 Ų | 38 | 54.6 Ų | 54.6 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 116.7 | 165 | -173.9 | 177.4 | -177.7 | -174.7 | 0 | 107.2 | D106 D109 T111 D228 T229 | D106-K213 IonicContact OD2-NZ 3.8Å; D109-K213 IonicContact OD2-NZ 2.77Å; D109-K213 PolarHBondContact OD2-NZ 3.08Å; T111-K213 HydrophobicContact CG2-CG 4.24Å; T111-K213 WeakPolarHBondContact OG1-CE 3.35Å; K213-D228 HydrophobicContact CG-CB 4.46Å; K213-D228 WeakPolarHBondContact O-CA 3.31Å; K213-D228 WeakPolarHBondContact O-CB 3.4Å; K213-D228 PolarHBondContact O-N 3.22Å; K213-T229 WeakPolarHBondContact CB-OG1 3.45Å; K213-T229 PolarHBondContact N-O 3.13Å; K213-T229 PolarHBondContact O-N 3.32Å; K213-T229 VanDerWaalsContact O-N 3.11Å |
| 214 | V | 98.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.6 | -178 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | L44 W54 T111 V112 F114 I226 I227 | L44-V214 HydrophobicContact CD1-CG2 4.05Å; W54-V214 HydrophobicContact CZ2-CG2 4.17Å; T111-V214 CarbonylContact C-O 3.52Å; T111-V214 WeakPolarHBondContact CA-O 3.47Å; T111-V214 VanDerWaalsContact CB-O 3.23Å; T111-V214 WeakPolarHBondContact CB-O 3.43Å; V112-V214 HydrophobicContact CG1-CG2 3.47Å; V112-V214 VanDerWaalsContact CG1-CG2 3.47Å; V112-V214 PolarHBondContact N-O 3.09Å; V112-V214 PolarHBondContact O-N 2.91Å; F114-V214 HydrophobicContact CE1-CG1 3.99Å; F114-V214 HydrophobicContact CE1-CG2 4.3Å; V214-I226 CarbonylContact C-O 3.56Å; V214-I226 VanDerWaalsContact CA-O 3.27Å; V214-I226 WeakPolarHBondContact CA-O 3.36Å; V214-I226 WeakPolarHBondContact CB-O 3.4Å; V214-I227 HydrophobicContact CG1-CB 4.45Å; V214-I227 HydrophobicContact CG1-CG1 3.89Å |
| 215 | F | 98.5 | Very high | 96.5 | Very high | 34 Ų | 34 | 49.8 Ų | 49.8 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 134.2 | 172.1 | -63.6 | -76.8 | 0 | 0 | 0 | 110.3 | S110 T111 G217 K223 A225 I226 D228 | S110-F215 WeakPolarHBondContact O-CA 3.4Å; T111-F215 HydrophobicContact CG2-CD1 3.74Å; T111-F215 HydrophobicContact CG2-CE1 4.03Å; T111-F215 HydrophobicContact CG2-CG 4.4Å; F215-G217 VanDerWaalsContact C-N 3.35Å; F215-K223 HydrophobicContact CB-CB 3.86Å; F215-K223 WeakPolarHBondContact CB-O 3.31Å; F215-K223 HydrophobicContact CD1-CD 4.33Å; F215-K223 HydrophobicContact CD2-CB 4.23Å; F215-K223 HydrophobicContact CD2-CD 4.47Å; F215-K223 HydrophobicContact CG-CB 4.04Å; F215-K223 HydrophobicContact CG-CD 4.3Å; F215-A225 PolarHBondContact O-N 3Å; F215-I226 HydrophobicContact CD2-CB 4.23Å; F215-I226 HydrophobicContact CD2-CG2 4.44Å; F215-I226 WeakPolarHBondContact CD2-O 3.43Å; F215-I226 PolarHBondContact N-O 3.48Å; F215-D228 HydrophobicContact CD2-CB 4.27Å; F215-D228 HydrophobicContact CE1-CB 4.37Å; F215-D228 HydrophobicContact CE2-CB 3.71Å; F215-D228 HydrophobicContact CZ-CB 3.76Å |
| 216 | N | 97.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | trans | -83.7 | -12.8 | -178.4 | 67.8 | 15.9 | 0 | 0 | 0 | 113.1 | V43 L44 Q105 S110 V112 K218 V224 | V43-N216 WeakPolarHBondContact CG1-O 3.34Å; L44-N216 HydrophobicContact CB-CB 4.09Å; L44-N216 PolarHBondContact N-O 2.78Å; Q105-N216 PolarHBondContact OE1-ND2 2.93Å; S110-N216 VanDerWaalsContact C-CG 3.48Å; S110-N216 VanDerWaalsContact O-CG 3.29Å; S110-N216 PolarHBondContact O-N 3.24Å; S110-N216 PolarHBondContact O-OD1 2.82Å; S110-N216 VanDerWaalsContact O-OD1 3.04Å; V112-N216 HydrophobicContact CG1-CB 4.32Å; N216-K218 VanDerWaalsContact OD1-CB 3.23Å; N216-K218 WeakPolarHBondContact OD1-CB 3.23Å; N216-K218 PolarHBondContact OD1-N 2.89Å; N216-V224 WeakPolarHBondContact O-CG2 3.28Å | ||
| 217 | G | 96.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 84.7 | 5.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F215 N220 I221 | F215-G217 VanDerWaalsContact C-N 3.35Å; G217-N220 CarbonylContact O-C 3.37Å; G217-I221 PolarHBondContact O-N 3.3Å |
| 218 | K | 94.3 | Very high | 97 | Very high | 124 Ų | 124 | 39.4 Ų | 39.4 | 54% | 0.539 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -70.2 | -38.6 | -178.1 | -169.3 | 169.8 | -174 | 164.4 | 0 | 112.8 | V43 E45 N216 | V43-K218 HydrophobicContact CG1-CB 4.19Å; E45-K218 IonicContact OE1-NZ 3.76Å; E45-K218 PolarHBondContact OE1-NZ 3.49Å; E45-K218 IonicContact OE2-NZ 3.48Å; N216-K218 VanDerWaalsContact OD1-CB 3.23Å; N216-K218 WeakPolarHBondContact OD1-CB 3.23Å; N216-K218 PolarHBondContact OD1-N 2.89Å |
| 219 | D | 94.1 | Very high | 97.1 | Very high | 88 Ų | 88 | 36.8 Ų | 36.8 | 47% | 0.471 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -76.9 | -47.4 | 173.9 | 66.5 | -42.3 | 0 | 0 | 0 | 111.4 | S110 K223 | S110-D219 WeakPolarHBondContact CB-OD1 3.24Å; D219-K223 IonicContact OD2-NZ 3.96Å |
| 220 | N | 95.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | trans | -146 | 108.5 | -175.9 | -176.5 | -10 | 0 | 0 | 0 | 109.9 | G217 N222 K223 | G217-N220 CarbonylContact O-C 3.37Å; N220-N222 PolarHBondContact O-N 3.07Å; N220-N222 VanDerWaalsContact O-N 3.1Å; N220-N222 VanDerWaalsContact OD1-CB 3.29Å; N220-N222 WeakPolarHBondContact OD1-CB 3.32Å; N220-N222 PolarHBondContact OD1-N 2.77Å; N220-K223 HydrophobicContact CB-CD 4.36Å; N220-K223 HydrophobicContact CB-CG 4.36Å; N220-K223 WeakPolarHBondContact O-CB 3.28Å; N220-K223 PolarHBondContact O-N 3.47Å | ||
| 221 | I | 95.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 9% | 0.087 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -61.1 | -24.4 | -177.8 | -154.7 | 62.2 | 0 | 0 | 0 | 113.2 | K39 V42 V43 G217 K223 V224 P256 | K39-I221 HydrophobicContact CB-CG1 4.4Å; K39-I221 HydrophobicContact CD-CG2 4.15Å; K39-I221 HydrophobicContact CG-CB 4.45Å; K39-I221 HydrophobicContact CG-CG1 4.27Å; K39-I221 HydrophobicContact CG-CG2 4.03Å; K39-I221 VanDerWaalsContact O-CD1 3.31Å; K39-I221 WeakPolarHBondContact O-CD1 3.44Å; V42-I221 HydrophobicContact CG2-CD1 3.56Å; V42-I221 HydrophobicContact CG2-CG1 3.78Å; V43-I221 HydrophobicContact CG2-CD1 3.72Å; G217-I221 PolarHBondContact O-N 3.3Å; I221-K223 PolarHBondContact O-N 2.87Å; I221-K223 VanDerWaalsContact O-N 3.12Å; I221-V224 HydrophobicContact CD1-CB 4.39Å; I221-V224 VanDerWaalsContact O-CG1 3.25Å; I221-V224 WeakPolarHBondContact O-CG1 3.5Å; I221-V224 PolarHBondContact O-N 2.96Å; I221-P256 HydrophobicContact CG1-CG 3.71Å; I221-P256 HydrophobicContact CG2-CG 4.36Å |
| 222 | N | 96.5 | Very high | 97.3 | Very high | 94 Ų | 94 | 40.7 Ų | 40.7 | 50% | 0.503 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -69.1 | -8.7 | 177 | -63.1 | -33.8 | 0 | 0 | 0 | 113 | N220 P255 | N220-N222 PolarHBondContact O-N 3.07Å; N220-N222 VanDerWaalsContact O-N 3.1Å; N220-N222 VanDerWaalsContact OD1-CB 3.29Å; N220-N222 WeakPolarHBondContact OD1-CB 3.32Å; N220-N222 PolarHBondContact OD1-N 2.77Å; N222-P255 WeakPolarHBondContact O-CB 3.47Å; N222-P255 WeakPolarHBondContact O-CG 3.29Å |
| 223 | K | 97.5 | Very high | 97.3 | Very high | 79 Ų | 79 | 45.6 Ų | 45.6 | 34% | 0.343 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -102.7 | -8.8 | 175.6 | -64.3 | -176.5 | -178.8 | 171 | 0 | 114.1 | F215 D219 N220 I221 A225 I226 | F215-K223 HydrophobicContact CB-CB 3.86Å; F215-K223 WeakPolarHBondContact CB-O 3.31Å; F215-K223 HydrophobicContact CD1-CD 4.33Å; F215-K223 HydrophobicContact CD2-CB 4.23Å; F215-K223 HydrophobicContact CD2-CD 4.47Å; F215-K223 HydrophobicContact CG-CB 4.04Å; F215-K223 HydrophobicContact CG-CD 4.3Å; D219-K223 IonicContact OD2-NZ 3.96Å; N220-K223 HydrophobicContact CB-CD 4.36Å; N220-K223 HydrophobicContact CB-CG 4.36Å; N220-K223 WeakPolarHBondContact O-CB 3.28Å; N220-K223 PolarHBondContact O-N 3.47Å; I221-K223 PolarHBondContact O-N 2.87Å; I221-K223 VanDerWaalsContact O-N 3.12Å; K223-A225 PolarHBondContact O-N 2.79Å; K223-I226 VanDerWaalsContact O-CB 3.23Å; K223-I226 WeakPolarHBondContact O-CB 3.35Å; K223-I226 WeakPolarHBondContact O-CG1 3.39Å; K223-I226 PolarHBondContact O-N 3.27Å |
| 224 | V | 98 | Very high | 97.2 | Very high | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 135.2 | -172.7 | 69.3 | 0 | 0 | 0 | 0 | 112.1 | V42 L44 N216 I221 I226 P255 | V42-V224 WeakPolarHBondContact O-CG2 3.37Å; L44-V224 HydrophobicContact CD1-CG2 4.35Å; L44-V224 HydrophobicContact CG-CG2 3.88Å; N216-V224 WeakPolarHBondContact O-CG2 3.28Å; I221-V224 HydrophobicContact CD1-CB 4.39Å; I221-V224 VanDerWaalsContact O-CG1 3.25Å; I221-V224 WeakPolarHBondContact O-CG1 3.5Å; I221-V224 PolarHBondContact O-N 2.96Å; V224-I226 PolarHBondContact O-N 2.77Å; V224-P255 HydrophobicContact CG1-CB 4.23Å; V224-P255 HydrophobicContact CG1-CG 4.49Å |
| 225 | A | 98.1 | Very high | 97.1 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | -1.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | L44 F215 K223 I227 T249 | L44-A225 HydrophobicContact CD1-CB 4.13Å; F215-A225 PolarHBondContact O-N 3Å; K223-A225 PolarHBondContact O-N 2.79Å; A225-I227 PolarHBondContact O-N 3.27Å; A225-T249 HydrophobicContact CB-CG2 4.13Å; A225-T249 WeakPolarHBondContact O-CA 3.47Å; A225-T249 WeakPolarHBondContact O-CB 3.46Å |
| 226 | I | 98.6 | Very high | 97 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 23% | 0.226 | 27% | 0.27 | C | S | . | . | trans | -66 | 134.1 | 172.7 | -61.6 | -177.1 | 0 | 0 | 0 | 108.5 | V214 F215 K223 V224 D228 G248 T249 P255 | V214-I226 CarbonylContact C-O 3.56Å; V214-I226 VanDerWaalsContact CA-O 3.27Å; V214-I226 WeakPolarHBondContact CA-O 3.36Å; V214-I226 WeakPolarHBondContact CB-O 3.4Å; F215-I226 HydrophobicContact CD2-CB 4.23Å; F215-I226 HydrophobicContact CD2-CG2 4.44Å; F215-I226 WeakPolarHBondContact CD2-O 3.43Å; F215-I226 PolarHBondContact N-O 3.48Å; K223-I226 VanDerWaalsContact O-CB 3.23Å; K223-I226 WeakPolarHBondContact O-CB 3.35Å; K223-I226 WeakPolarHBondContact O-CG1 3.39Å; K223-I226 PolarHBondContact O-N 3.27Å; V224-I226 PolarHBondContact O-N 2.77Å; I226-D228 PolarHBondContact O-N 3.14Å; I226-G248 WeakPolarHBondContact CA-O 3.49Å; I226-T249 HydrophobicContact CG1-CG2 3.96Å; I226-P255 HydrophobicContact CD1-CG 4.14Å; I226-P255 HydrophobicContact CG1-CG 4.22Å | ||
| 227 | I | 98.7 | Very high | 97 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.036 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 118.5 | -179.5 | -60.2 | 160.3 | 0 | 0 | 0 | 108.8 | Y212 V214 A225 T229 I246 G248 F267 | Y212-I227 HydrophobicContact CD1-CD1 4.25Å; Y212-I227 HydrophobicContact CD1-CG1 4.36Å; Y212-I227 HydrophobicContact CE1-CD1 4.2Å; V214-I227 HydrophobicContact CG1-CB 4.45Å; V214-I227 HydrophobicContact CG1-CG1 3.89Å; A225-I227 PolarHBondContact O-N 3.27Å; I227-T229 WeakPolarHBondContact CG2-O 3.14Å; I227-I246 HydrophobicContact CB-CG2 4.09Å; I227-I246 HydrophobicContact CD1-CG2 4.41Å; I227-I246 HydrophobicContact CG2-CG2 3.73Å; I227-G248 PolarHBondContact N-O 2.85Å; I227-F267 HydrophobicContact CD1-CB 3.78Å; I227-F267 HydrophobicContact CD1-CD1 4Å; I227-F267 HydrophobicContact CD1-CG 4.38Å |
| 228 | D | 98.1 | Very high | 96.9 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -53 | 169.4 | 176.1 | 42.3 | 0 | 0 | 0 | 109.8 | K213 F215 I226 R234 | K213-D228 HydrophobicContact CG-CB 4.46Å; K213-D228 WeakPolarHBondContact O-CA 3.31Å; K213-D228 WeakPolarHBondContact O-CB 3.4Å; K213-D228 PolarHBondContact O-N 3.22Å; F215-D228 HydrophobicContact CD2-CB 4.27Å; F215-D228 HydrophobicContact CE1-CB 4.37Å; F215-D228 HydrophobicContact CE2-CB 3.71Å; F215-D228 HydrophobicContact CZ-CB 3.76Å; I226-D228 PolarHBondContact O-N 3.14Å; D228-R234 WeakPolarHBondContact O-CG 3.25Å; D228-R234 IonicContact OD1-CZ 2.9Å; D228-R234 IonicContact OD1-NE 3.49Å; D228-R234 PolarHBondContact OD1-NE 2.66Å; D228-R234 IonicContact OD1-NH2 2.97Å; D228-R234 PolarHBondContact OD1-NH2 2.95Å |
| 229 | T | 98.3 | Very high | 97.1 | Very high | 24 Ų | 24 | 54.8 Ų | 54.8 | 15% | 0.147 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 150.7 | 175.2 | 65.4 | 0 | 0 | 0 | 0 | 112 | K213 I227 K233 R234 | K213-T229 WeakPolarHBondContact CB-OG1 3.45Å; K213-T229 PolarHBondContact N-O 3.13Å; K213-T229 PolarHBondContact O-N 3.32Å; K213-T229 VanDerWaalsContact O-N 3.11Å; I227-T229 WeakPolarHBondContact CG2-O 3.14Å; T229-K233 WeakPolarHBondContact CA-O 3.49Å; T229-K233 WeakPolarHBondContact CB-O 3.48Å; T229-R234 HydrophobicContact CG2-CG 3.9Å |
| 230 | Y | 98.3 | Very high | 97.1 | Very high | 19 Ų | 19 | 58.8 Ų | 58.8 | 8% | 0.075 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 125.8 | 167.7 | 172.4 | -107.9 | 0 | 0 | 0 | 107.7 | D209 Y212 G232 K233 L236 I246 F267 | D209-Y230 WeakPolarHBondContact OD1-CE2 3.5Å; D209-Y230 PolarHBondContact OD1-OH 2.94Å; Y212-Y230 AromaticContact CD1-CD2 3.85Å; Y212-Y230 HydrophobicContact CD1-CD2 3.85Å; Y212-Y230 HydrophobicContact CD2-CD2 4.23Å; Y212-Y230 HydrophobicContact CD2-CE2 4.36Å; Y212-Y230 AromaticContact CE1-CD2 3.52Å; Y212-Y230 HydrophobicContact CE1-CD2 3.52Å; Y212-Y230 AromaticContact CE1-CE2 3.94Å; Y212-Y230 HydrophobicContact CE1-CE2 3.94Å; Y212-Y230 HydrophobicContact CE1-CG 4.48Å; Y212-Y230 AromaticContact CE2-CD2 3.93Å; Y212-Y230 HydrophobicContact CE2-CD2 3.93Å; Y212-Y230 AromaticContact CE2-CE2 3.7Å; Y212-Y230 HydrophobicContact CE2-CE2 3.7Å; Y212-Y230 HydrophobicContact CG-CD2 4.19Å; Y212-Y230 AromaticContact CZ-CD2 3.55Å; Y212-Y230 AromaticContact CZ-CE2 3.45Å; Y212-Y230 VanDerWaalsContact CZ-CE2 3.45Å; Y212-Y230 WeakPolarHBondContact OH-CE2 3.29Å; Y230-G232 PolarHBondContact O-N 2.99Å; Y230-K233 PolarHBondContact N-O 3.32Å; Y230-K233 PolarHBondContact O-N 2.84Å; Y230-L236 HydrophobicContact CD1-CD2 4.27Å; Y230-I246 HydrophobicContact CD1-CD1 4.38Å; Y230-I246 HydrophobicContact CG-CD1 4.48Å; Y230-F267 AromaticContact CD1-CE1 3.95Å; Y230-F267 HydrophobicContact CD1-CE1 3.95Å; Y230-F267 HydrophobicContact CD1-CZ 4.08Å; Y230-F267 HydrophobicContact CD2-CE1 4.1Å; Y230-F267 HydrophobicContact CE1-CE1 4.15Å; Y230-F267 HydrophobicContact CE1-CZ 4.12Å; Y230-F267 HydrophobicContact CE2-CE1 4.29Å; Y230-F267 AromaticContact CG-CE1 3.92Å; Y230-F267 HydrophobicContact CG-CE1 3.92Å |
| 231 | K | 97.2 | Very high | 97.1 | Very high | 114 Ų | 114 | 59.9 Ų | 59.9 | 50% | 0.496 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 39.7 | -174.7 | -64.5 | 176.6 | 174.6 | 166.2 | 0 | 112.4 | G210 V211 K233 | G210-K231 WeakPolarHBondContact O-CE 3.39Å; G210-K231 VanDerWaalsContact O-CG 3.27Å; G210-K231 WeakPolarHBondContact O-CG 3.24Å; V211-K231 PolarHBondContact O-N 3.47Å; K231-K233 PolarHBondContact O-N 3.01Å |
| 232 | G | 97.3 | Very high | 97.2 | Very high | 64 Ų | 64 | 63.4 Ų | 63.4 | 66% | 0.66 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 9.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y230 | Y230-G232 PolarHBondContact O-N 2.99Š|
| 233 | K | 97.4 | Very high | 97.2 | Very high | 116 Ų | 116 | 59.1 Ų | 59.1 | 50% | 0.504 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -124.1 | 148.7 | 179.9 | -61.9 | -177.6 | 177.1 | -177.4 | 0 | 111.5 | T229 Y230 K231 N235 S237 | T229-K233 WeakPolarHBondContact CA-O 3.49Å; T229-K233 WeakPolarHBondContact CB-O 3.48Å; Y230-K233 PolarHBondContact N-O 3.32Å; Y230-K233 PolarHBondContact O-N 2.84Å; K231-K233 PolarHBondContact O-N 3.01Å; K233-N235 VanDerWaalsContact CB-O 3.31Å; K233-N235 WeakPolarHBondContact CB-O 3.32Å; K233-S237 PolarHBondContact NZ-OG 3.21Å |
| 234 | R | 96.8 | Very high | 97.2 | Very high | 160 Ų | 160 | 56 Ų | 56 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -88.3 | -15.4 | 170.4 | -62.8 | -155.9 | 167.6 | 154.6 | 1.2 | 113.6 | D228 T229 I246 | D228-R234 WeakPolarHBondContact O-CG 3.25Å; D228-R234 IonicContact OD1-CZ 2.9Å; D228-R234 IonicContact OD1-NE 3.49Å; D228-R234 PolarHBondContact OD1-NE 2.66Å; D228-R234 IonicContact OD1-NH2 2.97Å; D228-R234 PolarHBondContact OD1-NH2 2.95Å; T229-R234 HydrophobicContact CG2-CG 3.9Å; R234-I246 WeakPolarHBondContact O-CB 3.45Å; R234-I246 VanDerWaalsContact O-CG1 3.31Å; R234-I246 WeakPolarHBondContact O-CG1 3.48Å; R234-I246 PolarHBondContact O-N 3.29Å |
| 235 | N | 97.2 | Very high | 97.2 | Very high | 75 Ų | 75 | 59.5 Ų | 59.5 | 40% | 0.401 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -126.8 | 146.2 | 179.6 | -67.3 | -4.6 | 0 | 0 | 0 | 109.8 | K233 S237 D244 | K233-N235 VanDerWaalsContact CB-O 3.31Å; K233-N235 WeakPolarHBondContact CB-O 3.32Å; N235-S237 VanDerWaalsContact C-N 3.34Å; N235-S237 PolarHBondContact O-N 3.2Å; N235-D244 CarbonylContact C-O 3.55Å; N235-D244 VanDerWaalsContact CA-O 3.25Å; N235-D244 WeakPolarHBondContact CA-O 3.35Å; N235-D244 WeakPolarHBondContact CB-OD2 3.48Å |
| 236 | L | 95.8 | Very high | 97.2 | Very high | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | trans | -77.4 | -19.1 | -170.7 | -62.8 | 165.4 | 0 | 0 | 0 | 113.8 | Y230 Y238 D244 I246 F267 C272 | Y230-L236 HydrophobicContact CD1-CD2 4.27Å; L236-Y238 HydrophobicContact CB-CD2 3.56Å; L236-Y238 HydrophobicContact CB-CE2 4.04Å; L236-Y238 HydrophobicContact CB-CG 4.04Å; L236-Y238 HydrophobicContact CD1-CD2 4.34Å; L236-Y238 HydrophobicContact CD2-CE2 4.41Å; L236-Y238 HydrophobicContact CG-CD2 4.37Å; L236-Y238 PolarHBondContact O-N 3.36Å; L236-D244 WeakPolarHBondContact CB-OD1 3.35Å; L236-D244 PolarHBondContact N-O 3.47Å; L236-D244 PolarHBondContact N-OD2 3.36Å; L236-I246 HydrophobicContact CD2-CD1 3.62Å; L236-I246 HydrophobicContact CD2-CG1 3.78Å; L236-I246 HydrophobicContact CG-CD1 4.09Å; L236-I246 HydrophobicContact CG-CG1 3.78Å; L236-F267 HydrophobicContact CD1-CD2 4.4Å; L236-F267 HydrophobicContact CD1-CE2 3.8Å; L236-F267 HydrophobicContact CD2-CD2 4.42Å; L236-F267 HydrophobicContact CD2-CE2 3.49Å; L236-F267 VanDerWaalsContact CD2-CE2 3.49Å; L236-F267 HydrophobicContact CD2-CZ 3.57Å; L236-F267 HydrophobicContact CG-CE2 4.24Å; L236-C272 WeakPolarHBondContact CD1-O 3.48Å | ||
| 237 | S | 95.9 | Very high | 97.2 | Very high | 59 Ų | 59 | 60.5 Ų | 60.5 | 41% | 0.413 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 62.5 | 19.9 | -169 | -42.5 | 0 | 0 | 0 | 0 | 113.4 | K233 N235 D244 K332 | K233-S237 PolarHBondContact NZ-OG 3.21Å; N235-S237 VanDerWaalsContact C-N 3.34Å; N235-S237 PolarHBondContact O-N 3.2Å; S237-D244 VanDerWaalsContact CA-OD2 3.26Å; S237-D244 WeakPolarHBondContact CA-OD2 3.38Å; S237-D244 VanDerWaalsContact N-CG 3.28Å; S237-D244 PolarHBondContact N-OD1 3.48Å; S237-D244 PolarHBondContact N-OD2 2.79Å; S237-K332 WeakPolarHBondContact O-CE 3.37Å; S237-K332 PolarHBondContact O-NZ 3.49Å |
| 238 | Y | 95.9 | Very high | 97.2 | Very high | 70 Ų | 70 | 60.9 Ų | 60.9 | 28% | 0.275 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -100.8 | -45.4 | 179.4 | -59.7 | -32.9 | 0 | 0 | 0 | 111.7 | L236 D244 C272 K332 C333 | L236-Y238 HydrophobicContact CB-CD2 3.56Å; L236-Y238 HydrophobicContact CB-CE2 4.04Å; L236-Y238 HydrophobicContact CB-CG 4.04Å; L236-Y238 HydrophobicContact CD1-CD2 4.34Å; L236-Y238 HydrophobicContact CD2-CE2 4.41Å; L236-Y238 HydrophobicContact CG-CD2 4.37Å; L236-Y238 PolarHBondContact O-N 3.36Å; Y238-D244 PolarHBondContact N-OD1 2.01Å; Y238-C272 HydrophobicContact CD2-CB 4Å; Y238-C272 HydrophobicContact CE2-CB 4.23Å; Y238-K332 HydrophobicContact CD1-CG 4.28Å; Y238-K332 WeakPolarHBondContact O-CD 3.45Å; Y238-K332 PolarHBondContact O-NZ 3.31Å; Y238-C333 HydrophobicContact CD1-CB 4.16Å; Y238-C333 HydrophobicContact CD2-CB 3.78Å; Y238-C333 HydrophobicContact CE1-CB 3.88Å; Y238-C333 HydrophobicContact CE2-CB 3.48Å; Y238-C333 VanDerWaalsContact CE2-CB 3.48Å; Y238-C333 HydrophobicContact CG-CB 4.14Å |
| 239 | W | 97.4 | Very high | 97.2 | Very high | 25 Ų | 25 | 60.1 Ų | 60.1 | 10% | 0.095 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -104.2 | 171.1 | -174.1 | -48.4 | 101.9 | 0 | 0 | 0 | 111.4 | C243 D244 C272 F312 T314 L328 D329 | W239-C243 HydrophobicContact CB-CB 3.63Å; W239-C243 HydrophobicContact CG-CB 4.23Å; W239-D244 HydrophobicContact CB-CB 4.07Å; W239-D244 PolarHBondContact N-OD1 3.02Å; W239-C272 PolarHBondContact NE1-O 2.88Å; W239-F312 AromaticContact CD1-CE1 3.89Å; W239-F312 AromaticContact CD2-CD1 3.51Å; W239-F312 HydrophobicContact CD2-CD1 3.51Å; W239-F312 AromaticContact CD2-CE1 3.76Å; W239-F312 HydrophobicContact CD2-CE1 3.76Å; W239-F312 AromaticContact CE2-CD1 3.74Å; W239-F312 AromaticContact CE2-CE1 3.83Å; W239-F312 HydrophobicContact CE3-CB 4.5Å; W239-F312 AromaticContact CE3-CD1 3.61Å; W239-F312 HydrophobicContact CE3-CD1 3.61Å; W239-F312 HydrophobicContact CE3-CE1 4.33Å; W239-F312 HydrophobicContact CE3-CG 4.49Å; W239-F312 AromaticContact CG-CD1 3.99Å; W239-F312 HydrophobicContact CG-CD1 3.99Å; W239-F312 AromaticContact CG-CE1 3.8Å; W239-F312 HydrophobicContact CG-CE1 3.8Å; W239-F312 HydrophobicContact CH2-CD1 4.1Å; W239-F312 HydrophobicContact CZ2-CD1 4.05Å; W239-F312 HydrophobicContact CZ2-CE1 4.42Å; W239-F312 HydrophobicContact CZ3-CB 4.37Å; W239-F312 AromaticContact CZ3-CD1 3.9Å; W239-F312 HydrophobicContact CZ3-CD1 3.9Å; W239-F312 AromaticContact NE1-CE1 3.91Å; W239-T314 HydrophobicContact CZ3-CG2 3.77Å; W239-L328 HydrophobicContact CH2-CD1 3.58Å; W239-L328 HydrophobicContact CH2-CD2 4.43Å; W239-L328 HydrophobicContact CH2-CG 3.96Å; W239-L328 HydrophobicContact CZ2-CD1 4.14Å; W239-L328 HydrophobicContact CZ2-CD2 4.33Å; W239-L328 HydrophobicContact CZ2-CG 4.34Å; W239-L328 HydrophobicContact CZ3-CD1 4.22Å; W239-D329 WeakPolarHBondContact CH2-O 3.32Å |
| 240 | K | 95.3 | Very high | 97.1 | Very high | 171 Ų | 171 | 61.2 Ų | 61.2 | 74% | 0.743 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -92.6 | 157.9 | 171.2 | -65.2 | 179.9 | -179.5 | 176.4 | 0 | 109.5 | C243 C311 | K240-C243 WeakPolarHBondContact O-CB 3Å; K240-C243 PolarHBondContact O-N 3.08Å; K240-C311 HydrophobicContact CB-CB 4.31Å; K240-C311 WeakPolarHBondContact O-CB 3.24Å |
| 241 | S | 96.1 | Very high | 97 | Very high | 82 Ų | 82 | 61 Ų | 61 | 57% | 0.573 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | 55.3 | -149.1 | 171.8 | -164 | 0 | 0 | 0 | 0 | 112.8 | C243 D244 | S241-C243 PolarHBondContact O-N 3.08Å; S241-D244 PolarHBondContact O-N 3.45Å |
| 242 | Y | 96.3 | Very high | 96.9 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -65.9 | -17.5 | -179.3 | 56.1 | -103.4 | 0 | 0 | 0 | 114.5 | D244 M245 D308 H310 C311 | Y242-D244 PolarHBondContact O-N 3.11Å; Y242-D244 VanDerWaalsContact O-N 3.11Å; Y242-M245 WeakPolarHBondContact O-CB 3.37Å; Y242-M245 WeakPolarHBondContact O-CG 3.27Å; Y242-M245 PolarHBondContact O-N 3.36Å; Y242-M245 VanDerWaalsContact O-N 3.14Å; Y242-D308 HydrophobicContact CE2-CB 4.36Å; Y242-D308 VanDerWaalsContact CE2-O 3.31Å; Y242-D308 WeakPolarHBondContact CE2-O 3.4Å; Y242-D308 WeakPolarHBondContact OH-CA 3.46Å; Y242-D308 PolarHBondContact OH-O 3.23Å; Y242-D308 VanDerWaalsContact OH-O 3.08Å; Y242-D308 PolarHBondContact OH-OD1 2.79Å; Y242-H310 AromaticContact CE1-CE1 3.89Å; Y242-H310 AromaticContact CZ-CE1 3.68Å; Y242-H310 PolarHBondContact OH-CE1 3.1Å; Y242-H310 PolarHBondContact OH-ND1 2.96Å; Y242-C311 VanDerWaalsContact CE2-SG 3.6Å |
| 243 | C | 97.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -60.1 | -21.4 | 174.8 | -72.3 | 0 | 0 | 0 | 0 | 112.5 | W239 K240 S241 M245 C311 F312 | W239-C243 HydrophobicContact CB-CB 3.63Å; W239-C243 HydrophobicContact CG-CB 4.23Å; K240-C243 WeakPolarHBondContact O-CB 3Å; K240-C243 PolarHBondContact O-N 3.08Å; S241-C243 PolarHBondContact O-N 3.08Å; C243-M245 VanDerWaalsContact C-N 3.35Å; C243-C311 HydrophobicContact CB-CB 3.68Å; C243-C311 WeakPolarHBondContact CB-SG 3.47Å; C243-C311 VanDerWaalsContact SG-C 3.51Å; C243-C311 VanDerWaalsContact SG-CA 3.56Å; C243-C311 WeakPolarHBondContact SG-CB 3Å; C243-C311 CovalentContact SG-SG 2.01Å; C243-C311 PolarHBondContact SG-SG 2.93Å; C243-F312 HydrophobicContact CB-CD1 4.04Å; C243-F312 HydrophobicContact CB-CD2 4.19Å; C243-F312 HydrophobicContact CB-CE1 3.57Å; C243-F312 HydrophobicContact CB-CE2 3.72Å; C243-F312 HydrophobicContact CB-CG 4.32Å; C243-F312 HydrophobicContact CB-CZ 3.39Å; C243-F312 WeakPolarHBondContact SG-CD2 3.44Å; C243-F312 WeakPolarHBondContact SG-CE2 3.39Å; C243-F312 VanDerWaalsContact SG-CZ 3.59Å |
| 244 | D | 97.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -84.9 | -8.3 | -178 | -154.8 | 45.6 | 0 | 0 | 0 | 113.8 | N235 L236 S237 Y238 W239 S241 Y242 | N235-D244 CarbonylContact C-O 3.55Å; N235-D244 VanDerWaalsContact CA-O 3.25Å; N235-D244 WeakPolarHBondContact CA-O 3.35Å; N235-D244 WeakPolarHBondContact CB-OD2 3.48Å; L236-D244 WeakPolarHBondContact CB-OD1 3.35Å; L236-D244 PolarHBondContact N-O 3.47Å; L236-D244 PolarHBondContact N-OD2 3.36Å; S237-D244 VanDerWaalsContact CA-OD2 3.26Å; S237-D244 WeakPolarHBondContact CA-OD2 3.38Å; S237-D244 VanDerWaalsContact N-CG 3.28Å; S237-D244 PolarHBondContact N-OD1 3.48Å; S237-D244 PolarHBondContact N-OD2 2.79Å; Y238-D244 PolarHBondContact N-OD1 2.01Å; W239-D244 HydrophobicContact CB-CB 4.07Å; W239-D244 PolarHBondContact N-OD1 3.02Å; S241-D244 PolarHBondContact O-N 3.45Å; Y242-D244 PolarHBondContact O-N 3.11Å; Y242-D244 VanDerWaalsContact O-N 3.11Å |
| 245 | M | 98.1 | Very high | 97 | Very high | 78 Ų | 78 | 43 Ų | 43 | 38% | 0.384 | 23% | 0.233 | S | C | . | . | B | Isolated β-bridge | trans | -69.9 | 140.8 | -176.7 | -65.9 | 175.1 | 72.1 | 0 | 0 | 112.1 | Y242 C243 S274 | Y242-M245 WeakPolarHBondContact O-CB 3.37Å; Y242-M245 WeakPolarHBondContact O-CG 3.27Å; Y242-M245 PolarHBondContact O-N 3.36Å; Y242-M245 VanDerWaalsContact O-N 3.14Å; C243-M245 VanDerWaalsContact C-N 3.35Å; M245-S274 WeakPolarHBondContact O-CB 3.04Å; M245-S274 PolarHBondContact O-OG 2.81Å |
| 246 | I | 98.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | trans | -91.4 | 108.6 | 170.2 | -56.4 | -177.8 | 0 | 0 | 0 | 107.6 | I227 Y230 R234 L236 F267 S274 | I227-I246 HydrophobicContact CB-CG2 4.09Å; I227-I246 HydrophobicContact CD1-CG2 4.41Å; I227-I246 HydrophobicContact CG2-CG2 3.73Å; Y230-I246 HydrophobicContact CD1-CD1 4.38Å; Y230-I246 HydrophobicContact CG-CD1 4.48Å; R234-I246 WeakPolarHBondContact O-CB 3.45Å; R234-I246 VanDerWaalsContact O-CG1 3.31Å; R234-I246 WeakPolarHBondContact O-CG1 3.48Å; R234-I246 PolarHBondContact O-N 3.29Å; L236-I246 HydrophobicContact CD2-CD1 3.62Å; L236-I246 HydrophobicContact CD2-CG1 3.78Å; L236-I246 HydrophobicContact CG-CD1 4.09Å; L236-I246 HydrophobicContact CG-CG1 3.78Å; I246-F267 HydrophobicContact CG2-CB 3.97Å; I246-F267 HydrophobicContact CG2-CD1 4.22Å; I246-F267 HydrophobicContact CG2-CD2 4.47Å; I246-F267 HydrophobicContact CG2-CG 3.96Å; I246-S274 WeakPolarHBondContact CA-OG 3.31Å | ||
| 247 | N | 97.9 | Very high | 96.9 | Very high | 53 Ų | 53 | 42.1 Ų | 42.1 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | trans | -121.6 | 135.1 | -171.7 | -72.6 | -37.3 | 0 | 0 | 0 | 111.1 | R265 F266 F267 S274 | N247-R265 HydrophobicContact CB-CB 4.37Å; N247-F266 CarbonylContact O-C 3.48Å; N247-F266 VanDerWaalsContact O-C 3.23Å; N247-F266 VanDerWaalsContact O-CA 3.32Å; N247-F266 WeakPolarHBondContact O-CA 2.96Å; N247-F266 PolarHBondContact O-N 3.28Å; N247-F267 PolarHBondContact O-N 2.84Å; N247-S274 PolarHBondContact N-OG 3.5Å | ||
| 248 | G | 97.9 | Very high | 97 | Very high | 15 Ų | 15 | 39.6 Ų | 39.6 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | S | Bend | trans | 80.8 | -155.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | I226 I227 R265 | I226-G248 WeakPolarHBondContact CA-O 3.49Å; I227-G248 PolarHBondContact N-O 2.85Å; G248-R265 VanDerWaalsContact CA-O 3.28Å; G248-R265 WeakPolarHBondContact CA-O 3.47Å |
| 249 | T | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -96.3 | -168.3 | -174.4 | 71.2 | 0 | 0 | 0 | 0 | 111.7 | A225 I226 A251 S253 F254 R265 F266 F267 | A225-T249 HydrophobicContact CB-CG2 4.13Å; A225-T249 WeakPolarHBondContact O-CA 3.47Å; A225-T249 WeakPolarHBondContact O-CB 3.46Å; I226-T249 HydrophobicContact CG1-CG2 3.96Å; T249-A251 VanDerWaalsContact C-N 3.27Å; T249-A251 PolarHBondContact OG1-N 2.86Å; T249-A251 VanDerWaalsContact OG1-N 3.09Å; T249-S253 WeakPolarHBondContact CB-O 3.34Å; T249-S253 VanDerWaalsContact CG2-O 3.26Å; T249-S253 WeakPolarHBondContact CG2-O 3.25Å; T249-S253 PolarHBondContact OG1-O 2.85Å; T249-F254 HydrophobicContact CG2-CD1 4.29Å; T249-F254 WeakPolarHBondContact OG1-CE1 3.49Å; T249-R265 PolarHBondContact N-O 3.49Å; T249-F266 CarbonylContact O-C 3.56Å; T249-F266 WeakPolarHBondContact O-CA 3.3Å; T249-F266 VanDerWaalsContact O-CB 3.27Å; T249-F266 WeakPolarHBondContact O-CB 3.46Å; T249-F267 PolarHBondContact O-N 3.42Å |
| 250 | D | 96.3 | Very high | 97.1 | Very high | 47 Ų | 47 | 45.5 Ų | 45.5 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | trans | -87.4 | 9 | 168.9 | 68.1 | -5.3 | 0 | 0 | 0 | 113.4 | A252 | D250-A252 PolarHBondContact O-N 2.54Å; D250-A252 WeakPolarHBondContact OD1-CB 3.41Å; D250-A252 PolarHBondContact OD1-N 2.56Å | ||
| 251 | A | 97.3 | Very high | 97.2 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 66.8 | 1.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | T249 S253 F254 F266 L371 T380 | T249-A251 VanDerWaalsContact C-N 3.27Å; T249-A251 PolarHBondContact OG1-N 2.86Å; T249-A251 VanDerWaalsContact OG1-N 3.09Å; A251-S253 VanDerWaalsContact C-N 3.34Å; A251-F254 HydrophobicContact CB-CZ 4.05Å; A251-F266 HydrophobicContact CB-CB 3.85Å; A251-F266 HydrophobicContact CB-CD1 4.19Å; A251-F266 HydrophobicContact CB-CD2 3.74Å; A251-F266 HydrophobicContact CB-CE2 4.29Å; A251-F266 HydrophobicContact CB-CG 3.67Å; A251-L371 HydrophobicContact CB-CD1 4.21Å; A251-T380 PolarHBondContact O-OG1 2.91Å |
| 252 | A | 95.6 | Very high | 97.2 | Very high | 54 Ų | 54 | 41.6 Ų | 41.6 | 45% | 0.446 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -73.9 | -30.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D250 T380 | D250-A252 PolarHBondContact O-N 2.54Å; D250-A252 WeakPolarHBondContact OD1-CB 3.41Å; D250-A252 PolarHBondContact OD1-N 2.56Å; A252-T380 WeakPolarHBondContact O-CB 3.43Å; A252-T380 PolarHBondContact O-N 2.81Å; A252-T380 VanDerWaalsContact O-N 3.13Å; A252-T380 PolarHBondContact O-OG1 2.95Å |
| 253 | S | 96.3 | Very high | 97.2 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | B | Isolated β-bridge | trans | -150.4 | 159 | 173 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | T249 A251 G378 | T249-S253 WeakPolarHBondContact CB-O 3.34Å; T249-S253 VanDerWaalsContact CG2-O 3.26Å; T249-S253 WeakPolarHBondContact CG2-O 3.25Å; T249-S253 PolarHBondContact OG1-O 2.85Å; A251-S253 VanDerWaalsContact C-N 3.34Å; S253-G378 CarbonylContact C-O 3.54Å; S253-G378 WeakPolarHBondContact CA-O 3.36Å |
| 254 | F | 98.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | trans | -126 | 163.7 | 174.1 | -62 | -81.8 | 0 | 0 | 0 | 109.5 | T249 A251 L264 F266 L371 V373 G378 | T249-F254 HydrophobicContact CG2-CD1 4.29Å; T249-F254 WeakPolarHBondContact OG1-CE1 3.49Å; A251-F254 HydrophobicContact CB-CZ 4.05Å; F254-L264 HydrophobicContact CB-CD2 4.36Å; F254-L264 HydrophobicContact CD1-CB 4.09Å; F254-L264 HydrophobicContact CD1-CD1 4.29Å; F254-L264 HydrophobicContact CD1-CD2 4.02Å; F254-L264 HydrophobicContact CD1-CG 4.36Å; F254-L264 HydrophobicContact CD2-CD1 3.86Å; F254-L264 HydrophobicContact CE1-CB 3.75Å; F254-L264 HydrophobicContact CE1-CD1 4.29Å; F254-L264 HydrophobicContact CE1-CG 4.42Å; F254-L264 HydrophobicContact CE2-CD1 3.86Å; F254-L264 HydrophobicContact CG-CD1 4.07Å; F254-L264 HydrophobicContact CG-CD2 4.1Å; F254-L264 HydrophobicContact CZ-CB 4.06Å; F254-L264 HydrophobicContact CZ-CD1 4.07Å; F254-F266 HydrophobicContact CE1-CB 4.34Å; F254-F266 HydrophobicContact CE1-CD1 4.29Å; F254-F266 HydrophobicContact CZ-CD1 4.18Å; F254-L371 HydrophobicContact CE2-CD1 4.07Å; F254-L371 HydrophobicContact CZ-CD1 3.87Å; F254-V373 HydrophobicContact CD2-CG1 4.13Å; F254-V373 HydrophobicContact CD2-CG2 3.97Å; F254-V373 HydrophobicContact CE2-CG2 3.9Å; F254-G378 PolarHBondContact N-O 2.89Å | ||
| 255 | P | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | trans | -56.8 | 142.9 | 171.7 | -24.2 | 33.8 | 0 | 0 | 0 | 112 | N222 V224 I226 V258 R262 | N222-P255 WeakPolarHBondContact O-CB 3.47Å; N222-P255 WeakPolarHBondContact O-CG 3.29Å; V224-P255 HydrophobicContact CG1-CB 4.23Å; V224-P255 HydrophobicContact CG1-CG 4.49Å; I226-P255 HydrophobicContact CD1-CG 4.14Å; I226-P255 HydrophobicContact CG1-CG 4.22Å; P255-V258 WeakPolarHBondContact O-CG2 3.35Å; P255-R262 PolarHBondContact O-NH1 3Å | ||
| 256 | P | 96.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -64.6 | 172 | -171.5 | 30.3 | -39.2 | 0 | 0 | 0 | 112.7 | I38 V42 I221 I376 | I38-P256 HydrophobicContact CG2-CB 4.25Å; V42-P256 HydrophobicContact CG2-CB 4.23Å; V42-P256 HydrophobicContact CG2-CG 3.86Å; I221-P256 HydrophobicContact CG1-CG 3.71Å; I221-P256 HydrophobicContact CG2-CG 4.36Å; P256-I376 WeakPolarHBondContact CA-O 3.17Å; P256-I376 WeakPolarHBondContact CB-O 3.49Å |
| 257 | F | 95.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 42.3 Ų | 42.3 | 30% | 0.298 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 56.7 | 54.2 | -179.2 | -42.4 | -71.9 | 0 | 0 | 0 | 112.1 | E35 I38 K39 E259 P375 I376 | E35-F257 HydrophobicContact CB-CZ 4.23Å; E35-F257 HydrophobicContact CG-CE1 4.04Å; E35-F257 HydrophobicContact CG-CE2 3.93Å; E35-F257 HydrophobicContact CG-CZ 3.51Å; I38-F257 HydrophobicContact CB-CE1 4.39Å; I38-F257 HydrophobicContact CB-CZ 3.93Å; I38-F257 HydrophobicContact CG2-CE1 4.15Å; I38-F257 HydrophobicContact CG2-CE2 4.41Å; I38-F257 HydrophobicContact CG2-CZ 3.71Å; K39-F257 HydrophobicContact CD-CE2 4.48Å; K39-F257 HydrophobicContact CG-CE2 3.81Å; K39-F257 HydrophobicContact CG-CZ 4.25Å; F257-E259 PolarHBondContact O-N 3.13Å; F257-P375 CarbonylContact C-O 3.57Å; F257-P375 WeakPolarHBondContact CA-O 3.11Å; F257-P375 PolarHBondContact N-O 3.06Å; F257-P375 VanDerWaalsContact N-O 3.08Å; F257-I376 HydrophobicContact CE1-CG2 4.26Å; F257-I376 PolarHBondContact N-O 2.89Å |
| 258 | V | 97.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.042 | 21% | 0.21 | C | C | . | . | trans | -71 | 122.4 | -179.5 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | P255 L264 Y291 F293 V373 P375 | P255-V258 WeakPolarHBondContact O-CG2 3.35Å; V258-L264 HydrophobicContact CG1-CD2 4.05Å; V258-Y291 WeakPolarHBondContact O-CE2 3.14Å; V258-F293 HydrophobicContact CG1-CE2 3.92Å; V258-F293 HydrophobicContact CG1-CZ 3.65Å; V258-V373 HydrophobicContact CG2-CG1 4.34Å; V258-P375 PolarHBondContact N-O 3Å | ||
| 259 | E | 96.9 | Very high | 97.2 | Very high | 128 Ų | 128 | 40.8 Ų | 40.8 | 60% | 0.598 | 21% | 0.212 | S | C | * | . | trans | -88.4 | 152.9 | 172.4 | -63.5 | 177.4 | -160.5 | 0 | 0 | 112.1 | F257 S261 R262 | F257-E259 PolarHBondContact O-N 3.13Å; E259-S261 VanDerWaalsContact C-N 3.25Å; E259-S261 PolarHBondContact O-N 3.24Å; E259-S261 PolarHBondContact OE2-OG 3.09Å; E259-S261 VanDerWaalsContact OE2-OG 3.05Å; E259-R262 HydrophobicContact CB-CB 4.39Å; E259-R262 VanDerWaalsContact O-CB 3.26Å; E259-R262 WeakPolarHBondContact O-CB 3.32Å; E259-R262 PolarHBondContact O-N 3.06Å; E259-R262 VanDerWaalsContact O-N 3.13Å | ||
| 260 | K | 97.8 | Very high | 96.9 | Very high | 91 Ų | 91 | 43.5 Ų | 43.5 | 40% | 0.396 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.8 | 175.2 | -60.8 | 178.9 | -179.4 | 174 | 0 | 113.2 | R262 F279 E282 Y291 | K260-R262 VanDerWaalsContact C-N 3.26Å; K260-R262 PolarHBondContact O-N 2.93Å; K260-F279 HydrophobicContact CB-CB 4.44Å; K260-F279 HydrophobicContact CB-CD1 4.06Å; K260-F279 HydrophobicContact CB-CD2 4.11Å; K260-F279 HydrophobicContact CB-CE1 4.36Å; K260-F279 HydrophobicContact CB-CE2 4.4Å; K260-F279 HydrophobicContact CB-CG 3.93Å; K260-F279 HydrophobicContact CD-CE1 3.99Å; K260-F279 HydrophobicContact CD-CE2 4.09Å; K260-F279 HydrophobicContact CD-CZ 3.75Å; K260-F279 HydrophobicContact CG-CD1 4.38Å; K260-F279 HydrophobicContact CG-CD2 3.94Å; K260-F279 HydrophobicContact CG-CE1 4.26Å; K260-F279 HydrophobicContact CG-CE2 3.8Å; K260-F279 HydrophobicContact CG-CG 4.23Å; K260-F279 HydrophobicContact CG-CZ 3.96Å; K260-F279 WeakPolarHBondContact O-CB 3.26Å; K260-E282 WeakPolarHBondContact CE-OE1 3.32Å; K260-E282 IonicContact NZ-OE1 3.98Å; K260-E282 PolarHBondContact NZ-OE1 2.57Å; K260-Y291 HydrophobicContact CG-CD2 4.17Å; K260-Y291 HydrophobicContact CG-CE1 4.32Å; K260-Y291 HydrophobicContact CG-CE2 3.72Å |
| 261 | S | 97.4 | Very high | 96.9 | Very high | 94 Ų | 94 | 42 Ų | 42 | 66% | 0.657 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -18.7 | 176.4 | 57.9 | 0 | 0 | 0 | 0 | 112.8 | E259 | E259-S261 VanDerWaalsContact C-N 3.25Å; E259-S261 PolarHBondContact O-N 3.24Å; E259-S261 PolarHBondContact OE2-OG 3.09Å; E259-S261 VanDerWaalsContact OE2-OG 3.05Å |
| 262 | R | 96.3 | Very high | 96.9 | Very high | 77 Ų | 77 | 41.6 Ų | 41.6 | 29% | 0.291 | 22% | 0.215 | S | C | . | . | trans | -76.2 | 130.4 | -170.8 | -171.5 | 176.3 | 179.8 | 177 | -0.8 | 110.8 | P255 E259 K260 L264 F293 | P255-R262 PolarHBondContact O-NH1 3Å; E259-R262 HydrophobicContact CB-CB 4.39Å; E259-R262 VanDerWaalsContact O-CB 3.26Å; E259-R262 WeakPolarHBondContact O-CB 3.32Å; E259-R262 PolarHBondContact O-N 3.06Å; E259-R262 VanDerWaalsContact O-N 3.13Å; K260-R262 VanDerWaalsContact C-N 3.26Å; K260-R262 PolarHBondContact O-N 2.93Å; R262-L264 HydrophobicContact CG-CD2 4.21Å; R262-F293 WeakPolarHBondContact O-CE1 3.49Å | ||
| 263 | T | 97.6 | Very high | 97 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 33% | 0.325 | 20% | 0.196 | S | C | . | . | trans | -83.1 | 120.1 | 166.8 | -62.4 | 0 | 0 | 0 | 0 | 110.1 | R265 Y276 | T263-R265 PolarHBondContact O-N 3.32Å; T263-Y276 HydrophobicContact CG2-CD2 3.55Å; T263-Y276 HydrophobicContact CG2-CG 3.88Å | ||
| 264 | L | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 110 | 178.9 | -62.2 | -173 | 0 | 0 | 0 | 109.9 | F254 V258 R262 Y276 A277 F293 V373 | F254-L264 HydrophobicContact CB-CD2 4.36Å; F254-L264 HydrophobicContact CD1-CB 4.09Å; F254-L264 HydrophobicContact CD1-CD1 4.29Å; F254-L264 HydrophobicContact CD1-CD2 4.02Å; F254-L264 HydrophobicContact CD1-CG 4.36Å; F254-L264 HydrophobicContact CD2-CD1 3.86Å; F254-L264 HydrophobicContact CE1-CB 3.75Å; F254-L264 HydrophobicContact CE1-CD1 4.29Å; F254-L264 HydrophobicContact CE1-CG 4.42Å; F254-L264 HydrophobicContact CE2-CD1 3.86Å; F254-L264 HydrophobicContact CG-CD1 4.07Å; F254-L264 HydrophobicContact CG-CD2 4.1Å; F254-L264 HydrophobicContact CZ-CB 4.06Å; F254-L264 HydrophobicContact CZ-CD1 4.07Å; V258-L264 HydrophobicContact CG1-CD2 4.05Å; R262-L264 HydrophobicContact CG-CD2 4.21Å; L264-Y276 CarbonylContact O-C 3.45Å; L264-Y276 WeakPolarHBondContact O-CA 3.41Å; L264-A277 PolarHBondContact N-O 3.47Å; L264-A277 PolarHBondContact O-N 3.38Å; L264-F293 HydrophobicContact CB-CD1 4.47Å; L264-F293 HydrophobicContact CD1-CB 4.32Å; L264-F293 HydrophobicContact CD1-CD1 3.68Å; L264-F293 HydrophobicContact CD1-CD2 3.59Å; L264-F293 HydrophobicContact CD1-CE1 3.82Å; L264-F293 HydrophobicContact CD1-CE2 3.69Å; L264-F293 HydrophobicContact CD1-CG 3.59Å; L264-F293 HydrophobicContact CD1-CZ 3.83Å; L264-F293 HydrophobicContact CG-CD1 3.81Å; L264-F293 HydrophobicContact CG-CE1 3.73Å; L264-F293 HydrophobicContact CG-CE2 4.42Å; L264-F293 HydrophobicContact CG-CG 4.24Å; L264-F293 HydrophobicContact CG-CZ 4.05Å; L264-V373 HydrophobicContact CD1-CG2 4.06Å |
| 265 | R | 98.4 | Very high | 97 | Very high | 138 Ų | 138 | 39.5 Ų | 39.5 | 52% | 0.521 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 144.3 | 175.4 | -66.3 | -176.9 | 175 | 84 | -1.2 | 110.4 | N247 G248 T249 T263 I275 | N247-R265 HydrophobicContact CB-CB 4.37Å; G248-R265 VanDerWaalsContact CA-O 3.28Å; G248-R265 WeakPolarHBondContact CA-O 3.47Å; T249-R265 PolarHBondContact N-O 3.49Å; T263-R265 PolarHBondContact O-N 3.32Å; R265-I275 WeakPolarHBondContact CA-O 3.41Å |
| 266 | F | 98.4 | Very high | 97 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 8% | 0.075 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 153.5 | 174.6 | 56 | -87.5 | 0 | 0 | 0 | 111.5 | N247 T249 A251 F254 S274 I275 A277 L295 L371 | N247-F266 CarbonylContact O-C 3.48Å; N247-F266 VanDerWaalsContact O-C 3.23Å; N247-F266 VanDerWaalsContact O-CA 3.32Å; N247-F266 WeakPolarHBondContact O-CA 2.96Å; N247-F266 PolarHBondContact O-N 3.28Å; T249-F266 CarbonylContact O-C 3.56Å; T249-F266 WeakPolarHBondContact O-CA 3.3Å; T249-F266 VanDerWaalsContact O-CB 3.27Å; T249-F266 WeakPolarHBondContact O-CB 3.46Å; A251-F266 HydrophobicContact CB-CB 3.85Å; A251-F266 HydrophobicContact CB-CD1 4.19Å; A251-F266 HydrophobicContact CB-CD2 3.74Å; A251-F266 HydrophobicContact CB-CE2 4.29Å; A251-F266 HydrophobicContact CB-CG 3.67Å; F254-F266 HydrophobicContact CE1-CB 4.34Å; F254-F266 HydrophobicContact CE1-CD1 4.29Å; F254-F266 HydrophobicContact CZ-CD1 4.18Å; F266-S274 WeakPolarHBondContact O-CA 3.44Å; F266-I275 HydrophobicContact CD2-CG2 3.86Å; F266-I275 HydrophobicContact CE1-CG2 4.13Å; F266-I275 HydrophobicContact CE2-CG2 3.27Å; F266-I275 HydrophobicContact CZ-CG2 3.43Å; F266-I275 VanDerWaalsContact CZ-CG2 3.43Å; F266-I275 PolarHBondContact N-O 2.89Å; F266-I275 PolarHBondContact O-N 2.94Å; F266-A277 HydrophobicContact CE1-CB 4.03Å; F266-L295 HydrophobicContact CZ-CD1 3.97Å; F266-L371 HydrophobicContact CD1-CD1 4.44Å; F266-L371 HydrophobicContact CE1-CD1 3.99Å; F266-L371 HydrophobicContact CZ-CD1 4.37Å |
| 267 | F | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.022 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.5 | 174.8 | 171 | -116.5 | 0 | 0 | 0 | 110.1 | Y212 I227 Y230 L236 I246 N247 T249 P269 | Y212-F267 HydrophobicContact CE1-CD1 4.28Å; Y212-F267 HydrophobicContact CE1-CE1 4.37Å; I227-F267 HydrophobicContact CD1-CB 3.78Å; I227-F267 HydrophobicContact CD1-CD1 4Å; I227-F267 HydrophobicContact CD1-CG 4.38Å; Y230-F267 AromaticContact CD1-CE1 3.95Å; Y230-F267 HydrophobicContact CD1-CE1 3.95Å; Y230-F267 HydrophobicContact CD1-CZ 4.08Å; Y230-F267 HydrophobicContact CD2-CE1 4.1Å; Y230-F267 HydrophobicContact CE1-CE1 4.15Å; Y230-F267 HydrophobicContact CE1-CZ 4.12Å; Y230-F267 HydrophobicContact CE2-CE1 4.29Å; Y230-F267 AromaticContact CG-CE1 3.92Å; Y230-F267 HydrophobicContact CG-CE1 3.92Å; L236-F267 HydrophobicContact CD1-CD2 4.4Å; L236-F267 HydrophobicContact CD1-CE2 3.8Å; L236-F267 HydrophobicContact CD2-CD2 4.42Å; L236-F267 HydrophobicContact CD2-CE2 3.49Å; L236-F267 VanDerWaalsContact CD2-CE2 3.49Å; L236-F267 HydrophobicContact CD2-CZ 3.57Å; L236-F267 HydrophobicContact CG-CE2 4.24Å; I246-F267 HydrophobicContact CG2-CB 3.97Å; I246-F267 HydrophobicContact CG2-CD1 4.22Å; I246-F267 HydrophobicContact CG2-CD2 4.47Å; I246-F267 HydrophobicContact CG2-CG 3.96Å; N247-F267 PolarHBondContact O-N 2.84Å; T249-F267 PolarHBondContact O-N 3.42Å; F267-P269 HydrophobicContact CE1-CB 4.04Å; F267-P269 HydrophobicContact CZ-CB 4.05Å |
| 268 | S | 97 | Very high | 97.3 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 108.2 | 173.6 | 171.1 | 0 | 0 | 0 | 0 | 109.9 | D270 I271 C272 R273 K385 | S268-D270 PolarHBondContact O-N 3.49Å; S268-I271 WeakPolarHBondContact O-CG1 3.23Å; S268-I271 PolarHBondContact O-N 3.41Å; S268-C272 PolarHBondContact O-N 2.81Å; S268-R273 PolarHBondContact N-O 2.65Å; S268-K385 PolarHBondContact OG-NZ 3.11Å |
| 269 | P | 94.9 | Very high | 97.3 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 20% | 0.195 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -60.5 | -31.2 | -179 | 27.8 | -38.5 | 0 | 0 | 0 | 112.4 | D209 Y212 F267 I271 C272 | D209-P269 WeakPolarHBondContact OD2-CG 3.36Å; Y212-P269 WeakPolarHBondContact OH-CG 3.06Å; F267-P269 HydrophobicContact CE1-CB 4.04Å; F267-P269 HydrophobicContact CZ-CB 4.05Å; P269-I271 PolarHBondContact O-N 3.13Å; P269-C272 PolarHBondContact O-N 3.27Å; P269-C272 VanDerWaalsContact O-N 3.1Å; P269-C272 PolarHBondContact O-SG 3.37Å |
| 270 | D | 93.1 | Very high | 97.4 | Very high | 58 Ų | 58 | 41 Ų | 41 | 31% | 0.31 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -61.5 | -28.4 | -178.9 | -57.6 | -29.4 | 0 | 0 | 0 | 113.7 | S268 K385 | S268-D270 PolarHBondContact O-N 3.49Å; D270-K385 IonicContact OD2-NZ 3.26Å; D270-K385 PolarHBondContact OD2-NZ 2.82Å |
| 271 | I | 96.2 | Very high | 97.4 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -111.6 | 5 | 179 | 68.6 | 172 | 0 | 0 | 0 | 112.2 | S268 P269 R273 I275 I330 I341 L387 | S268-I271 WeakPolarHBondContact O-CG1 3.23Å; S268-I271 PolarHBondContact O-N 3.41Å; P269-I271 PolarHBondContact O-N 3.13Å; I271-R273 VanDerWaalsContact C-N 3.25Å; I271-R273 HydrophobicContact CD1-CG 3.98Å; I271-R273 HydrophobicContact CG1-CG 4.02Å; I271-R273 PolarHBondContact O-N 2.79Å; I271-R273 VanDerWaalsContact O-N 3.16Å; I271-I275 HydrophobicContact CD1-CD1 4.33Å; I271-I275 HydrophobicContact CD1-CG2 4.38Å; I271-I330 WeakPolarHBondContact O-CG2 3.28Å; I271-I341 HydrophobicContact CG2-CG1 4.47Å; I271-I341 HydrophobicContact CG2-CG2 3.88Å; I271-L387 HydrophobicContact CG2-CD2 4.26Å |
| 272 | C | 96.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 5% | 0.054 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 30 | 173.4 | -53 | 0 | 0 | 0 | 0 | 115.3 | L236 Y238 W239 S268 P269 C333 | L236-C272 WeakPolarHBondContact CD1-O 3.48Å; Y238-C272 HydrophobicContact CD2-CB 4Å; Y238-C272 HydrophobicContact CE2-CB 4.23Å; W239-C272 PolarHBondContact NE1-O 2.88Å; S268-C272 PolarHBondContact O-N 2.81Å; P269-C272 PolarHBondContact O-N 3.27Å; P269-C272 VanDerWaalsContact O-N 3.1Å; P269-C272 PolarHBondContact O-SG 3.37Å; C272-C333 HydrophobicContact CB-CB 3.6Å; C272-C333 WeakPolarHBondContact CB-SG 3.46Å; C272-C333 WeakPolarHBondContact SG-CB 3.48Å; C272-C333 CovalentContact SG-SG 2.01Å; C272-C333 PolarHBondContact SG-SG 2.87Å |
| 273 | R | 97.7 | Very high | 97.5 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 5% | 0.049 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 164.1 | 174.8 | 64.4 | 171.6 | -75.6 | -176.6 | -3.5 | 112.2 | S268 I271 F312 L328 | S268-R273 PolarHBondContact N-O 2.65Å; I271-R273 VanDerWaalsContact C-N 3.25Å; I271-R273 HydrophobicContact CD1-CG 3.98Å; I271-R273 HydrophobicContact CG1-CG 4.02Å; I271-R273 PolarHBondContact O-N 2.79Å; I271-R273 VanDerWaalsContact O-N 3.16Å; R273-F312 HydrophobicContact CB-CE1 3.76Å; R273-F312 HydrophobicContact CB-CZ 4.25Å; R273-F312 HydrophobicContact CG-CE1 4.36Å; R273-F312 VanDerWaalsContact CZ-CD2 3.49Å; R273-F312 VanDerWaalsContact NE-CZ 3.27Å; R273-F312 VanDerWaalsContact NH1-CE2 3.31Å; R273-L328 HydrophobicContact CG-CD2 4Å |
| 274 | S | 98.3 | Very high | 97.4 | Very high | 12 Ų | 12 | 41 Ų | 41 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 143.1 | 161.9 | -54 | 0 | 0 | 0 | 0 | 110.4 | M245 I246 N247 F266 | M245-S274 WeakPolarHBondContact O-CB 3.04Å; M245-S274 PolarHBondContact O-OG 2.81Å; I246-S274 WeakPolarHBondContact CA-OG 3.31Å; N247-S274 PolarHBondContact N-OG 3.5Å; F266-S274 WeakPolarHBondContact O-CA 3.44Å |
| 275 | I | 97.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | -179.6 | 176.6 | -161.9 | 160 | 0 | 0 | 0 | 109 | R265 F266 I271 L295 A299 F300 | R265-I275 WeakPolarHBondContact CA-O 3.41Å; F266-I275 HydrophobicContact CD2-CG2 3.86Å; F266-I275 HydrophobicContact CE1-CG2 4.13Å; F266-I275 HydrophobicContact CE2-CG2 3.27Å; F266-I275 HydrophobicContact CZ-CG2 3.43Å; F266-I275 VanDerWaalsContact CZ-CG2 3.43Å; F266-I275 PolarHBondContact N-O 2.89Å; F266-I275 PolarHBondContact O-N 2.94Å; I271-I275 HydrophobicContact CD1-CD1 4.33Å; I271-I275 HydrophobicContact CD1-CG2 4.38Å; I275-L295 HydrophobicContact CD1-CD2 3.75Å; I275-L295 HydrophobicContact CD1-CG 4.3Å; I275-L295 HydrophobicContact CG1-CD2 4.49Å; I275-A299 HydrophobicContact CD1-CB 3.96Å; I275-A299 HydrophobicContact CG1-CB 4Å; I275-F300 HydrophobicContact CD1-CE1 4.19Å; I275-F300 HydrophobicContact CD1-CE2 4.1Å; I275-F300 HydrophobicContact CD1-CZ 3.68Å |
| 276 | Y | 97.9 | Very high | 96.8 | Very high | 52 Ų | 52 | 38.3 Ų | 38.3 | 20% | 0.204 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 156.4 | -179.2 | 65.6 | -82.7 | 0 | 0 | 0 | 112 | T263 L264 V278 P296 A299 | T263-Y276 HydrophobicContact CG2-CD2 3.55Å; T263-Y276 HydrophobicContact CG2-CG 3.88Å; L264-Y276 CarbonylContact O-C 3.45Å; L264-Y276 WeakPolarHBondContact O-CA 3.41Å; Y276-V278 HydrophobicContact CD2-CG1 4Å; Y276-V278 HydrophobicContact CE2-CG1 4.05Å; Y276-P296 HydrophobicContact CD2-CG 3.96Å; Y276-P296 HydrophobicContact CE2-CG 3.31Å; Y276-P296 WeakPolarHBondContact O-CD 3.38Å; Y276-A299 HydrophobicContact CE1-CB 4.16Å |
| 277 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 150.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | L264 F266 F293 V294 L295 L371 | L264-A277 PolarHBondContact N-O 3.47Å; L264-A277 PolarHBondContact O-N 3.38Å; F266-A277 HydrophobicContact CE1-CB 4.03Å; A277-F293 HydrophobicContact CB-CB 3.82Å; A277-V294 CarbonylContact C-O 3.42Å; A277-V294 VanDerWaalsContact CA-O 3.23Å; A277-V294 WeakPolarHBondContact CA-O 3.08Å; A277-V294 WeakPolarHBondContact CB-O 3.48Å; A277-L295 HydrophobicContact CB-CD1 4.32Å; A277-L371 HydrophobicContact CB-CD1 4.46Å |
| 278 | V | 98.4 | Very high | 96 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 149.5 | -178.9 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | Y276 F293 V294 P296 | Y276-V278 HydrophobicContact CD2-CG1 4Å; Y276-V278 HydrophobicContact CE2-CG1 4.05Å; V278-F293 CarbonylContact O-C 3.55Å; V278-F293 VanDerWaalsContact O-CA 3.24Å; V278-F293 WeakPolarHBondContact O-CA 3.34Å; V278-V294 HydrophobicContact CG2-CG2 4.39Å; V278-V294 PolarHBondContact N-O 3.09Å; V278-V294 PolarHBondContact O-N 3.28Å; V278-P296 HydrophobicContact CG1-CG 4.15Å; V278-P296 HydrophobicContact CG2-CB 3.92Å; V278-P296 HydrophobicContact CG2-CG 4.11Å |
| 279 | F | 98.6 | Very high | 95.8 | Very high | 58 Ų | 58 | 42.6 Ų | 42.6 | 25% | 0.254 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 137.2 | 179.4 | 175.9 | -95.8 | 0 | 0 | 0 | 110.8 | K260 S281 E282 Y291 F293 | K260-F279 HydrophobicContact CB-CB 4.44Å; K260-F279 HydrophobicContact CB-CD1 4.06Å; K260-F279 HydrophobicContact CB-CD2 4.11Å; K260-F279 HydrophobicContact CB-CE1 4.36Å; K260-F279 HydrophobicContact CB-CE2 4.4Å; K260-F279 HydrophobicContact CB-CG 3.93Å; K260-F279 HydrophobicContact CD-CE1 3.99Å; K260-F279 HydrophobicContact CD-CE2 4.09Å; K260-F279 HydrophobicContact CD-CZ 3.75Å; K260-F279 HydrophobicContact CG-CD1 4.38Å; K260-F279 HydrophobicContact CG-CD2 3.94Å; K260-F279 HydrophobicContact CG-CE1 4.26Å; K260-F279 HydrophobicContact CG-CE2 3.8Å; K260-F279 HydrophobicContact CG-CG 4.23Å; K260-F279 HydrophobicContact CG-CZ 3.96Å; K260-F279 WeakPolarHBondContact O-CB 3.26Å; F279-S281 WeakPolarHBondContact CE2-O 3.38Å; F279-S281 VanDerWaalsContact CZ-C 3.46Å; F279-E282 HydrophobicContact CE2-CG 4.4Å; F279-E282 HydrophobicContact CZ-CG 4.1Å; F279-Y291 HydrophobicContact CD2-CD2 4.44Å; F279-Y291 HydrophobicContact CD2-CG 4.09Å; F279-Y291 AromaticContact CE2-CD1 3.85Å; F279-Y291 HydrophobicContact CE2-CD1 3.85Å; F279-Y291 HydrophobicContact CE2-CD2 4.43Å; F279-Y291 AromaticContact CE2-CG 3.81Å; F279-Y291 HydrophobicContact CE2-CG 3.81Å; F279-F293 HydrophobicContact CB-CD1 4.33Å; F279-F293 HydrophobicContact CB-CE1 3.9Å; F279-F293 HydrophobicContact CB-CZ 4.28Å; F279-F293 VanDerWaalsContact N-CD1 3.33Å |
| 280 | E | 97.8 | Very high | 95.9 | Very high | 83 Ų | 83 | 41.2 Ų | 41.2 | 39% | 0.388 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -59.3 | 173.8 | 178.4 | -176.7 | -101.3 | 0 | 0 | 110.7 | R292 V294 R368 | E280-R292 HydrophobicContact CB-CG 4.5Å; E280-R292 PolarHBondContact N-O 3.13Å; E280-R292 WeakPolarHBondContact OE2-CD 3.13Å; E280-V294 HydrophobicContact CB-CG1 4.03Å; E280-V294 HydrophobicContact CB-CG2 4.08Å; E280-V294 HydrophobicContact CG-CG1 4.49Å; E280-R368 IonicContact OE1-CZ 2.81Å; E280-R368 IonicContact OE1-NH1 2.62Å; E280-R368 PolarHBondContact OE1-NH1 3.31Å; E280-R368 IonicContact OE2-CZ 2.71Å; E280-R368 IonicContact OE2-NH1 3.11Å; E280-R368 PolarHBondContact OE2-NH1 3.28Å |
| 281 | S | 97.9 | Very high | 96.2 | Very high | 40 Ų | 40 | 40.6 Ų | 40.6 | 28% | 0.28 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 163.8 | -170.8 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | F279 R292 | F279-S281 WeakPolarHBondContact CE2-O 3.38Å; F279-S281 VanDerWaalsContact CZ-C 3.46Å; S281-R292 WeakPolarHBondContact O-CB 3.49Å; S281-R292 PolarHBondContact O-N 2.95Å |
| 282 | E | 98.2 | Very high | 96.3 | Very high | 120 Ų | 120 | 41.9 Ų | 41.9 | 56% | 0.561 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 140.3 | 165.3 | -61.6 | -175.4 | 157.9 | 0 | 0 | 110 | K260 F279 Y291 | K260-E282 WeakPolarHBondContact CE-OE1 3.32Å; K260-E282 IonicContact NZ-OE1 3.98Å; K260-E282 PolarHBondContact NZ-OE1 2.57Å; F279-E282 HydrophobicContact CE2-CG 4.4Å; F279-E282 HydrophobicContact CZ-CG 4.1Å; E282-Y291 HydrophobicContact CG-CD1 4.05Å; E282-Y291 HydrophobicContact CG-CE1 3.98Å |
| 283 | V | 97.5 | Very high | 96.4 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 22% | 0.218 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142 | 177.8 | 177.2 | 0 | 0 | 0 | 0 | 108.4 | V290 R292 | V283-V290 HydrophobicContact CB-CG2 3.93Å; V283-V290 HydrophobicContact CG1-CG2 4.34Å; V283-V290 PolarHBondContact N-O 3.16Å; V283-V290 VanDerWaalsContact O-CG2 3.3Å; V283-V290 WeakPolarHBondContact O-CG2 3.32Å; V283-V290 PolarHBondContact O-N 2.03Å; V283-R292 HydrophobicContact CG2-CB 4.03Å |
| 284 | N | 95.1 | Very high | 96.4 | Very high | 118 Ų | 118 | 41.8 Ų | 41.8 | 63% | 0.631 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 95 | 172 | -171.4 | -5.1 | 0 | 0 | 0 | 109.1 | K286 G287 I288 | N284-K286 PolarHBondContact O-N 2.9Å; N284-G287 WeakPolarHBondContact OD1-CA 3.44Å; N284-G287 PolarHBondContact OD1-N 2.87Å; N284-I288 PolarHBondContact OD1-N 3.37Å |
| 285 | L | 93.7 | Very high | 96.3 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 6% | 0.063 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 101.4 | -178.6 | 177.8 | 58.7 | 0 | 0 | 0 | 109.5 | G287 I288 V290 L381 Q382 I422 | L285-G287 VanDerWaalsContact C-N 3.29Å; L285-G287 PolarHBondContact O-N 3.47Å; L285-I288 PolarHBondContact N-O 2.85Å; L285-I288 WeakPolarHBondContact O-CB 3.3Å; L285-I288 PolarHBondContact O-N 3.37Å; L285-V290 HydrophobicContact CB-CG1 4.29Å; L285-V290 HydrophobicContact CB-CG2 3.77Å; L285-L381 HydrophobicContact CD2-CB 3.71Å; L285-Q382 HydrophobicContact CD2-CB 3.65Å; L285-I422 HydrophobicContact CD2-CG2 4.09Å; L285-I422 HydrophobicContact CG-CG2 4.48Å |
| 286 | K | 90.9 | Very high | 96.3 | Very high | 71 Ų | 71 | 43.3 Ų | 43.3 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 56.5 | -180 | -57.6 | 177.7 | 176.7 | -169.7 | 0 | 109.8 | N284 I288 I422 D424 V427 R431 | N284-K286 PolarHBondContact O-N 2.9Å; K286-I288 PolarHBondContact O-N 3.33Å; K286-I422 PolarHBondContact NZ-O 3.34Å; K286-D424 WeakPolarHBondContact CD-OD1 3.46Å; K286-D424 WeakPolarHBondContact CE-OD1 3.23Å; K286-D424 IonicContact NZ-OD1 2.66Å; K286-D424 PolarHBondContact NZ-OD1 2.95Å; K286-V427 HydrophobicContact CB-CG1 4.09Å; K286-V427 HydrophobicContact CB-CG2 4.11Å; K286-V427 HydrophobicContact CD-CG2 3.7Å; K286-V427 WeakPolarHBondContact O-CG1 3.32Å; K286-R431 VanDerWaalsContact O-CZ 3.28Å; K286-R431 PolarHBondContact O-NE 3.41Å; K286-R431 PolarHBondContact O-NH2 3.29Å |
| 287 | G | 89.2 | Confident | 96.1 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 8.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | N284 L285 R431 | N284-G287 WeakPolarHBondContact OD1-CA 3.44Å; N284-G287 PolarHBondContact OD1-N 2.87Å; L285-G287 VanDerWaalsContact C-N 3.29Å; L285-G287 PolarHBondContact O-N 3.47Å; G287-R431 VanDerWaalsContact CA-NH2 3.35Å |
| 288 | I | 90.8 | Very high | 96 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.6 | 173.3 | -58.2 | 166.3 | 0 | 0 | 0 | 107.7 | N284 L285 K286 V290 E374 L381 V427 F430 R431 | N284-I288 PolarHBondContact OD1-N 3.37Å; L285-I288 PolarHBondContact N-O 2.85Å; L285-I288 WeakPolarHBondContact O-CB 3.3Å; L285-I288 PolarHBondContact O-N 3.37Å; K286-I288 PolarHBondContact O-N 3.33Å; I288-V290 HydrophobicContact CG2-CG1 4.15Å; I288-V290 PolarHBondContact O-N 2.91Å; I288-E374 HydrophobicContact CG2-CG 3.84Å; I288-L381 HydrophobicContact CB-CD1 4.5Å; I288-L381 HydrophobicContact CD1-CD1 4.11Å; I288-L381 HydrophobicContact CG2-CD1 3.87Å; I288-V427 HydrophobicContact CD1-CB 4.49Å; I288-V427 HydrophobicContact CD1-CG1 3.95Å; I288-V427 HydrophobicContact CD1-CG2 4.43Å; I288-V427 HydrophobicContact CG1-CG1 4.44Å; I288-F430 HydrophobicContact CD1-CB 4.44Å; I288-F430 HydrophobicContact CD1-CD1 3.59Å; I288-F430 HydrophobicContact CD1-CE1 4.26Å; I288-F430 HydrophobicContact CD1-CG 4.29Å; I288-F430 HydrophobicContact CG1-CD1 4.22Å; I288-F430 HydrophobicContact CG2-CD1 4.34Å; I288-F430 HydrophobicContact CG2-CE1 3.94Å; I288-R431 HydrophobicContact CD1-CG 4.39Å; I288-R431 HydrophobicContact CG1-CG 3.97Å |
| 289 | P | 93.4 | Very high | 95.8 | Very high | 80 Ų | 80 | 46 Ų | 46 | 52% | 0.519 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 125.6 | 174.2 | 28.4 | -32.5 | 0 | 0 | 0 | 109.8 | P375 | P289-P375 WeakPolarHBondContact O-CD 3.47Å |
| 290 | V | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 153.2 | 179 | -63.4 | 0 | 0 | 0 | 0 | 110.3 | V283 L285 I288 D372 V373 E374 L381 | V283-V290 HydrophobicContact CB-CG2 3.93Å; V283-V290 HydrophobicContact CG1-CG2 4.34Å; V283-V290 PolarHBondContact N-O 3.16Å; V283-V290 VanDerWaalsContact O-CG2 3.3Å; V283-V290 WeakPolarHBondContact O-CG2 3.32Å; V283-V290 PolarHBondContact O-N 2.03Å; L285-V290 HydrophobicContact CB-CG1 4.29Å; L285-V290 HydrophobicContact CB-CG2 3.77Å; I288-V290 HydrophobicContact CG2-CG1 4.15Å; I288-V290 PolarHBondContact O-N 2.91Å; V290-D372 HydrophobicContact CB-CB 4.38Å; V290-D372 HydrophobicContact CG2-CB 3.87Å; V290-V373 WeakPolarHBondContact CA-O 3.38Å; V290-E374 HydrophobicContact CG1-CB 4.14Å; V290-L381 HydrophobicContact CG1-CD1 3.98Å |
| 291 | Y | 98.6 | Very high | 95.4 | Very high | 45 Ų | 45 | 40.6 Ų | 40.6 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123.7 | 172.9 | -69.3 | -11.7 | 0 | 0 | 0 | 109.7 | V258 K260 F279 E282 F293 V373 P375 | V258-Y291 WeakPolarHBondContact O-CE2 3.14Å; K260-Y291 HydrophobicContact CG-CD2 4.17Å; K260-Y291 HydrophobicContact CG-CE1 4.32Å; K260-Y291 HydrophobicContact CG-CE2 3.72Å; F279-Y291 HydrophobicContact CD2-CD2 4.44Å; F279-Y291 HydrophobicContact CD2-CG 4.09Å; F279-Y291 AromaticContact CE2-CD1 3.85Å; F279-Y291 HydrophobicContact CE2-CD1 3.85Å; F279-Y291 HydrophobicContact CE2-CD2 4.43Å; F279-Y291 AromaticContact CE2-CG 3.81Å; F279-Y291 HydrophobicContact CE2-CG 3.81Å; E282-Y291 HydrophobicContact CG-CD1 4.05Å; E282-Y291 HydrophobicContact CG-CE1 3.98Å; Y291-F293 HydrophobicContact CD2-CE2 4.34Å; Y291-F293 HydrophobicContact CG-CE2 4.47Å; Y291-F293 WeakPolarHBondContact O-CD2 3.1Å; Y291-F293 PolarHBondContact O-N 2.99Å; Y291-V373 PolarHBondContact N-O 3.49Å; Y291-V373 PolarHBondContact O-N 3.35Å; Y291-P375 HydrophobicContact CD2-CB 3.83Å; Y291-P375 HydrophobicContact CD2-CG 4.5Å; Y291-P375 HydrophobicContact CE1-CG 4.4Å; Y291-P375 HydrophobicContact CE2-CB 3.59Å; Y291-P375 HydrophobicContact CE2-CG 4.25Å; Y291-P375 HydrophobicContact CG-CB 4.42Å |
| 292 | R | 98.6 | Very high | 95.4 | Very high | 41 Ų | 41 | 39 Ų | 39 | 16% | 0.155 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 117.3 | 172.6 | 178.6 | 158.1 | -69.9 | 170.9 | 1.8 | 109.4 | E280 S281 V283 V294 D372 | E280-R292 HydrophobicContact CB-CG 4.5Å; E280-R292 PolarHBondContact N-O 3.13Å; E280-R292 WeakPolarHBondContact OE2-CD 3.13Å; S281-R292 WeakPolarHBondContact O-CB 3.49Å; S281-R292 PolarHBondContact O-N 2.95Å; V283-R292 HydrophobicContact CG2-CB 4.03Å; R292-V294 HydrophobicContact CG-CG1 4.11Å; R292-D372 WeakPolarHBondContact CB-OD1 3.32Å; R292-D372 IonicContact CZ-OD1 2.73Å; R292-D372 IonicContact CZ-OD2 3.97Å; R292-D372 IonicContact NE-OD1 2.9Å; R292-D372 PolarHBondContact NE-OD1 3.41Å; R292-D372 IonicContact NE-OD2 2.83Å; R292-D372 IonicContact NH2-OD1 3.46Å; R292-D372 PolarHBondContact NH2-OD1 2.78Å; R292-D372 IonicContact NH2-OD2 2.58Å; R292-D372 PolarHBondContact NH2-OD2 3.01Å |
| 293 | F | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.6 | 171.1 | -73.5 | -94.8 | 0 | 0 | 0 | 109.8 | V258 R262 L264 A277 V278 F279 Y291 Y370 L371 V373 | V258-F293 HydrophobicContact CG1-CE2 3.92Å; V258-F293 HydrophobicContact CG1-CZ 3.65Å; R262-F293 WeakPolarHBondContact O-CE1 3.49Å; L264-F293 HydrophobicContact CB-CD1 4.47Å; L264-F293 HydrophobicContact CD1-CB 4.32Å; L264-F293 HydrophobicContact CD1-CD1 3.68Å; L264-F293 HydrophobicContact CD1-CD2 3.59Å; L264-F293 HydrophobicContact CD1-CE1 3.82Å; L264-F293 HydrophobicContact CD1-CE2 3.69Å; L264-F293 HydrophobicContact CD1-CG 3.59Å; L264-F293 HydrophobicContact CD1-CZ 3.83Å; L264-F293 HydrophobicContact CG-CD1 3.81Å; L264-F293 HydrophobicContact CG-CE1 3.73Å; L264-F293 HydrophobicContact CG-CE2 4.42Å; L264-F293 HydrophobicContact CG-CG 4.24Å; L264-F293 HydrophobicContact CG-CZ 4.05Å; A277-F293 HydrophobicContact CB-CB 3.82Å; V278-F293 CarbonylContact O-C 3.55Å; V278-F293 VanDerWaalsContact O-CA 3.24Å; V278-F293 WeakPolarHBondContact O-CA 3.34Å; F279-F293 HydrophobicContact CB-CD1 4.33Å; F279-F293 HydrophobicContact CB-CE1 3.9Å; F279-F293 HydrophobicContact CB-CZ 4.28Å; F279-F293 VanDerWaalsContact N-CD1 3.33Å; Y291-F293 HydrophobicContact CD2-CE2 4.34Å; Y291-F293 HydrophobicContact CG-CE2 4.47Å; Y291-F293 WeakPolarHBondContact O-CD2 3.1Å; Y291-F293 PolarHBondContact O-N 2.99Å; F293-Y370 CarbonylContact O-C 3.45Å; F293-Y370 VanDerWaalsContact O-CA 3.23Å; F293-Y370 WeakPolarHBondContact O-CA 3.47Å; F293-L371 HydrophobicContact CB-CB 4.48Å; F293-L371 PolarHBondContact N-O 3.06Å; F293-L371 PolarHBondContact O-N 3.44Å; F293-V373 HydrophobicContact CD2-CB 4.21Å; F293-V373 HydrophobicContact CD2-CG2 4.09Å; F293-V373 HydrophobicContact CE2-CB 4.37Å |
| 294 | V | 98.1 | Very high | 95.2 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 153.1 | -179.2 | -60.3 | 0 | 0 | 0 | 0 | 111 | A277 V278 E280 R292 P296 | A277-V294 CarbonylContact C-O 3.42Å; A277-V294 VanDerWaalsContact CA-O 3.23Å; A277-V294 WeakPolarHBondContact CA-O 3.08Å; A277-V294 WeakPolarHBondContact CB-O 3.48Å; V278-V294 HydrophobicContact CG2-CG2 4.39Å; V278-V294 PolarHBondContact N-O 3.09Å; V278-V294 PolarHBondContact O-N 3.28Å; E280-V294 HydrophobicContact CB-CG1 4.03Å; E280-V294 HydrophobicContact CB-CG2 4.08Å; E280-V294 HydrophobicContact CG-CG1 4.49Å; R292-V294 HydrophobicContact CG-CG1 4.11Å; V294-P296 WeakPolarHBondContact O-CD 3.46Å |
| 295 | L | 96.6 | Very high | 95.3 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | trans | -73.2 | 118.2 | 169.7 | -87.3 | 61.2 | 0 | 0 | 0 | 108.4 | F266 I275 A277 F300 T369 | F266-L295 HydrophobicContact CZ-CD1 3.97Å; I275-L295 HydrophobicContact CD1-CD2 3.75Å; I275-L295 HydrophobicContact CD1-CG 4.3Å; I275-L295 HydrophobicContact CG1-CD2 4.49Å; A277-L295 HydrophobicContact CB-CD1 4.32Å; L295-F300 HydrophobicContact CB-CE2 4.46Å; L295-F300 HydrophobicContact CD2-CE2 3.97Å; L295-F300 HydrophobicContact CD2-CZ 4.04Å; L295-T369 HydrophobicContact CD1-CG2 3.51Å; L295-T369 HydrophobicContact CD2-CG2 4.18Å; L295-T369 HydrophobicContact CG-CG2 4.4Å; L295-T369 PolarHBondContact N-O 3.45Å | ||
| 296 | P | 95.9 | Very high | 95.5 | Very high | 23 Ų | 23 | 39.3 Ų | 39.3 | 15% | 0.149 | 22% | 0.217 | C | C | . | . | trans | -74.3 | 152.7 | -178.6 | 28.9 | -31.4 | 0 | 0 | 0 | 111.3 | Y276 V278 V294 N298 A299 | Y276-P296 HydrophobicContact CD2-CG 3.96Å; Y276-P296 HydrophobicContact CE2-CG 3.31Å; Y276-P296 WeakPolarHBondContact O-CD 3.38Å; V278-P296 HydrophobicContact CG1-CG 4.15Å; V278-P296 HydrophobicContact CG2-CB 3.92Å; V278-P296 HydrophobicContact CG2-CG 4.11Å; V294-P296 WeakPolarHBondContact O-CD 3.46Å; P296-N298 PolarHBondContact O-N 3.21Å; P296-N298 VanDerWaalsContact O-N 3.13Å; P296-A299 HydrophobicContact CG-CB 4.35Å; P296-A299 VanDerWaalsContact O-CB 3.25Å; P296-A299 WeakPolarHBondContact O-CB 3.27Å; P296-A299 PolarHBondContact O-N 3.21Å | ||
| 297 | V | 94.9 | Very high | 95.8 | Very high | 63 Ų | 63 | 40.1 Ų | 40.1 | 38% | 0.382 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -50.3 | -39.6 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | A299 F300 A301 H348 | V297-A299 PolarHBondContact O-N 3.27Å; V297-A299 VanDerWaalsContact O-N 3.09Å; V297-F300 PolarHBondContact O-N 3.16Å; V297-A301 PolarHBondContact O-N 3.23Å; V297-H348 HydrophobicContact CG1-CB 4.15Å |
| 298 | N | 95.1 | Very high | 96.1 | Very high | 90 Ų | 90 | 42.9 Ų | 42.9 | 48% | 0.481 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -59.4 | -22.1 | 179 | -70.5 | -4.1 | 0 | 0 | 0 | 114.2 | P296 F300 N306 N309 | P296-N298 PolarHBondContact O-N 3.21Å; P296-N298 VanDerWaalsContact O-N 3.13Å; N298-F300 PolarHBondContact O-N 2.93Å; N298-N306 PolarHBondContact O-ND2 3.4Å; N298-N309 PolarHBondContact O-ND2 2.76Å; N298-N309 VanDerWaalsContact O-ND2 3.07Å |
| 299 | A | 94.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -67.4 | -25.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I275 Y276 P296 V297 N309 | I275-A299 HydrophobicContact CD1-CB 3.96Å; I275-A299 HydrophobicContact CG1-CB 4Å; Y276-A299 HydrophobicContact CE1-CB 4.16Å; P296-A299 HydrophobicContact CG-CB 4.35Å; P296-A299 VanDerWaalsContact O-CB 3.25Å; P296-A299 WeakPolarHBondContact O-CB 3.27Å; P296-A299 PolarHBondContact O-N 3.21Å; V297-A299 PolarHBondContact O-N 3.27Å; V297-A299 VanDerWaalsContact O-N 3.09Å; A299-N309 PolarHBondContact O-ND2 3.1Å |
| 300 | F | 93.1 | Very high | 96.6 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 10% | 0.096 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 3.4 | 179.1 | -58.5 | -81.1 | 0 | 0 | 0 | 113.8 | I275 L295 V297 N298 Y325 G326 L343 | I275-F300 HydrophobicContact CD1-CE1 4.19Å; I275-F300 HydrophobicContact CD1-CE2 4.1Å; I275-F300 HydrophobicContact CD1-CZ 3.68Å; L295-F300 HydrophobicContact CB-CE2 4.46Å; L295-F300 HydrophobicContact CD2-CE2 3.97Å; L295-F300 HydrophobicContact CD2-CZ 4.04Å; V297-F300 PolarHBondContact O-N 3.16Å; N298-F300 PolarHBondContact O-N 2.93Å; F300-Y325 WeakPolarHBondContact O-CB 3.5Å; F300-G326 PolarHBondContact O-N 2.9Å; F300-L343 HydrophobicContact CD2-CD1 4.47Å; F300-L343 HydrophobicContact CE2-CD1 4.39Å; F300-L343 HydrophobicContact CE2-CD2 4.1Å; F300-L343 HydrophobicContact CE2-CG 4.25Å; F300-L343 HydrophobicContact CZ-CD2 4.26Å |
| 301 | A | 96.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | trans | -67.2 | 156.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V297 Q305 N306 N309 | V297-A301 PolarHBondContact O-N 3.23Å; A301-Q305 HydrophobicContact CB-CB 3.91Å; A301-N306 HydrophobicContact CB-CB 4.06Å; A301-N309 PolarHBondContact O-ND2 2.84Å | ||
| 302 | S | 97.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | trans | -73.9 | 162.8 | 176.7 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | L304 Q305 N306 T323 Y325 | S302-L304 PolarHBondContact O-N 3.29Å; S302-Q305 PolarHBondContact O-N 3.35Å; S302-N306 PolarHBondContact O-N 3.43Å; S302-T323 VanDerWaalsContact CB-O 3.29Å; S302-T323 WeakPolarHBondContact CB-O 3.46Å; S302-T323 PolarHBondContact OG-O 3.34Å; S302-Y325 VanDerWaalsContact N-CB 3.3Å | ||
| 303 | P | 96.7 | Very high | 96.4 | Very high | 33 Ų | 33 | 43.1 Ų | 43.1 | 21% | 0.214 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -22.1 | 172.1 | -30.4 | 38.3 | 0 | 0 | 0 | 115.6 | N306 P307 H310 C322 | P303-N306 WeakPolarHBondContact CA-O 3.14Å; P303-N306 CarbonylContact O-C 3.57Å; P303-P307 WeakPolarHBondContact O-CA 3.34Å; P303-H310 HydrophobicContact CB-CB 4.14Å; P303-H310 VanDerWaalsContact CG-CA 3.5Å; P303-H310 HydrophobicContact CG-CB 4.14Å; P303-C322 WeakPolarHBondContact CD-O 3.3Å; P303-C322 HydrophobicContact CG-CB 4.19Å |
| 304 | L | 95.3 | Very high | 96.2 | Very high | 135 Ų | 135 | 46.7 Ų | 46.7 | 71% | 0.707 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -36.7 | 173.8 | -68.8 | -178.1 | 0 | 0 | 0 | 112.6 | S302 T323 | S302-L304 PolarHBondContact O-N 3.29Å; L304-T323 HydrophobicContact CD1-CG2 3.53Å; L304-T323 HydrophobicContact CG-CG2 4.26Å |
| 305 | Q | 96.1 | Very high | 96 | Very high | 103 Ų | 103 | 48 Ų | 48 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -37.6 | -179.3 | -69.7 | 169.6 | -25.5 | 0 | 0 | 111.5 | A301 S302 | A301-Q305 HydrophobicContact CB-CB 3.91Å; S302-Q305 PolarHBondContact O-N 3.35Å |
| 306 | N | 97.2 | Very high | 96 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | trans | -134.4 | 94.7 | 177 | -177.5 | 2.4 | 0 | 0 | 0 | 109.7 | N298 A301 S302 P303 D308 N309 | N298-N306 PolarHBondContact O-ND2 3.4Å; A301-N306 HydrophobicContact CB-CB 4.06Å; S302-N306 PolarHBondContact O-N 3.43Å; P303-N306 WeakPolarHBondContact CA-O 3.14Å; P303-N306 CarbonylContact O-C 3.57Å; N306-D308 PolarHBondContact O-N 3.39Å; N306-D308 WeakPolarHBondContact OD1-CB 3.46Å; N306-D308 PolarHBondContact OD1-N 2.76Å; N306-N309 PolarHBondContact O-N 3.29Å | ||
| 307 | P | 97.3 | Very high | 95.9 | Very high | 87 Ų | 87 | 58.4 Ų | 58.4 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -54.1 | -23.9 | -179.9 | -28.6 | 36.4 | 0 | 0 | 0 | 114.4 | P303 N309 H310 | P303-P307 WeakPolarHBondContact O-CA 3.34Å; P307-N309 PolarHBondContact O-N 2.92Å; P307-H310 WeakPolarHBondContact O-CB 3.44Å; P307-H310 PolarHBondContact O-N 2.84Å; P307-H310 PolarHBondContact O-ND1 2.9Å |
| 308 | D | 96.4 | Very high | 96 | Very high | 99 Ų | 99 | 56.6 Ų | 56.6 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -67.1 | -21.2 | 179.2 | -68.6 | -29.2 | 0 | 0 | 0 | 113.3 | Y242 N306 H310 | Y242-D308 HydrophobicContact CE2-CB 4.36Å; Y242-D308 VanDerWaalsContact CE2-O 3.31Å; Y242-D308 WeakPolarHBondContact CE2-O 3.4Å; Y242-D308 WeakPolarHBondContact OH-CA 3.46Å; Y242-D308 PolarHBondContact OH-O 3.23Å; Y242-D308 VanDerWaalsContact OH-O 3.08Å; Y242-D308 PolarHBondContact OH-OD1 2.79Å; N306-D308 PolarHBondContact O-N 3.39Å; N306-D308 WeakPolarHBondContact OD1-CB 3.46Å; N306-D308 PolarHBondContact OD1-N 2.76Å; D308-H310 VanDerWaalsContact C-N 3.26Å; D308-H310 PolarHBondContact O-N 2.8Å |
| 309 | N | 97.5 | Very high | 96 | Very high | 11 Ų | 11 | 53.2 Ų | 53.2 | 6% | 0.059 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -81.9 | 1.7 | 178.9 | -74.5 | -21.2 | 0 | 0 | 0 | 113.8 | N298 A299 A301 N306 P307 C311 F312 | N298-N309 PolarHBondContact O-ND2 2.76Å; N298-N309 VanDerWaalsContact O-ND2 3.07Å; A299-N309 PolarHBondContact O-ND2 3.1Å; A301-N309 PolarHBondContact O-ND2 2.84Å; N306-N309 PolarHBondContact O-N 3.29Å; P307-N309 PolarHBondContact O-N 2.92Å; N309-C311 PolarHBondContact O-N 2.87Å; N309-C311 VanDerWaalsContact O-N 3.14Å; N309-F312 HydrophobicContact CB-CD2 4.44Å; N309-F312 PolarHBondContact O-N 3.38Å |
| 310 | H | 96.8 | Very high | 96.1 | Very high | 94 Ų | 94 | 58 Ų | 58 | 44% | 0.435 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -54.9 | -35.6 | -177.6 | 76 | -83.7 | 0 | 0 | 0 | 113.5 | Y242 P303 P307 D308 F312 C313 | Y242-H310 AromaticContact CE1-CE1 3.89Å; Y242-H310 AromaticContact CZ-CE1 3.68Å; Y242-H310 PolarHBondContact OH-CE1 3.1Å; Y242-H310 PolarHBondContact OH-ND1 2.96Å; P303-H310 HydrophobicContact CB-CB 4.14Å; P303-H310 VanDerWaalsContact CG-CA 3.5Å; P303-H310 HydrophobicContact CG-CB 4.14Å; P307-H310 WeakPolarHBondContact O-CB 3.44Å; P307-H310 PolarHBondContact O-N 2.84Å; P307-H310 PolarHBondContact O-ND1 2.9Å; D308-H310 VanDerWaalsContact C-N 3.26Å; D308-H310 PolarHBondContact O-N 2.8Å; H310-F312 VanDerWaalsContact C-N 3.3Å; H310-F312 PolarHBondContact O-N 3.06Å; H310-C313 PolarHBondContact O-N 3.45Å |
| 311 | C | 97.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 61.7 Ų | 61.7 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -81.6 | -3.6 | -179.8 | 43.4 | 0 | 0 | 0 | 0 | 115 | K240 Y242 C243 N309 | K240-C311 HydrophobicContact CB-CB 4.31Å; K240-C311 WeakPolarHBondContact O-CB 3.24Å; Y242-C311 VanDerWaalsContact CE2-SG 3.6Å; C243-C311 HydrophobicContact CB-CB 3.68Å; C243-C311 WeakPolarHBondContact CB-SG 3.47Å; C243-C311 VanDerWaalsContact SG-C 3.51Å; C243-C311 VanDerWaalsContact SG-CA 3.56Å; C243-C311 WeakPolarHBondContact SG-CB 3Å; C243-C311 CovalentContact SG-SG 2.01Å; C243-C311 PolarHBondContact SG-SG 2.93Å; N309-C311 PolarHBondContact O-N 2.87Å; N309-C311 VanDerWaalsContact O-N 3.14Å |
| 312 | F | 97.4 | Very high | 96.2 | Very high | 23 Ų | 23 | 62.8 Ų | 62.8 | 10% | 0.101 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -90.8 | -11.5 | 167.5 | -66.3 | -64.8 | 0 | 0 | 0 | 113.1 | W239 C243 R273 N309 H310 T314 L328 | W239-F312 AromaticContact CD1-CE1 3.89Å; W239-F312 AromaticContact CD2-CD1 3.51Å; W239-F312 HydrophobicContact CD2-CD1 3.51Å; W239-F312 AromaticContact CD2-CE1 3.76Å; W239-F312 HydrophobicContact CD2-CE1 3.76Å; W239-F312 AromaticContact CE2-CD1 3.74Å; W239-F312 AromaticContact CE2-CE1 3.83Å; W239-F312 HydrophobicContact CE3-CB 4.5Å; W239-F312 AromaticContact CE3-CD1 3.61Å; W239-F312 HydrophobicContact CE3-CD1 3.61Å; W239-F312 HydrophobicContact CE3-CE1 4.33Å; W239-F312 HydrophobicContact CE3-CG 4.49Å; W239-F312 AromaticContact CG-CD1 3.99Å; W239-F312 HydrophobicContact CG-CD1 3.99Å; W239-F312 AromaticContact CG-CE1 3.8Å; W239-F312 HydrophobicContact CG-CE1 3.8Å; W239-F312 HydrophobicContact CH2-CD1 4.1Å; W239-F312 HydrophobicContact CZ2-CD1 4.05Å; W239-F312 HydrophobicContact CZ2-CE1 4.42Å; W239-F312 HydrophobicContact CZ3-CB 4.37Å; W239-F312 AromaticContact CZ3-CD1 3.9Å; W239-F312 HydrophobicContact CZ3-CD1 3.9Å; W239-F312 AromaticContact NE1-CE1 3.91Å; C243-F312 HydrophobicContact CB-CD1 4.04Å; C243-F312 HydrophobicContact CB-CD2 4.19Å; C243-F312 HydrophobicContact CB-CE1 3.57Å; C243-F312 HydrophobicContact CB-CE2 3.72Å; C243-F312 HydrophobicContact CB-CG 4.32Å; C243-F312 HydrophobicContact CB-CZ 3.39Å; C243-F312 WeakPolarHBondContact SG-CD2 3.44Å; C243-F312 WeakPolarHBondContact SG-CE2 3.39Å; C243-F312 VanDerWaalsContact SG-CZ 3.59Å; R273-F312 HydrophobicContact CB-CE1 3.76Å; R273-F312 HydrophobicContact CB-CZ 4.25Å; R273-F312 HydrophobicContact CG-CE1 4.36Å; R273-F312 VanDerWaalsContact CZ-CD2 3.49Å; R273-F312 VanDerWaalsContact NE-CZ 3.27Å; R273-F312 VanDerWaalsContact NH1-CE2 3.31Å; N309-F312 HydrophobicContact CB-CD2 4.44Å; N309-F312 PolarHBondContact O-N 3.38Å; H310-F312 VanDerWaalsContact C-N 3.3Å; H310-F312 PolarHBondContact O-N 3.06Å; F312-T314 PolarHBondContact O-N 2.82Å; F312-L328 HydrophobicContact CB-CD1 3.99Å; F312-L328 HydrophobicContact CD1-CD1 4.14Å; F312-L328 HydrophobicContact CG-CD1 4.29Å |
| 313 | C | 96.5 | Very high | 96.2 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | trans | -75.8 | 112.6 | 172.1 | -172.8 | 0 | 0 | 0 | 0 | 110.4 | H310 E315 C322 | H310-C313 PolarHBondContact O-N 3.45Å; C313-E315 PolarHBondContact SG-O 3.01Å; C313-C322 HydrophobicContact CB-CB 3.81Å; C313-C322 WeakPolarHBondContact CB-SG 3.32Å; C313-C322 VanDerWaalsContact SG-CA 3.57Å; C313-C322 WeakPolarHBondContact SG-CB 3.24Å; C313-C322 CovalentContact SG-SG 2.03Å; C313-C322 PolarHBondContact SG-SG 2.88Å | ||
| 314 | T | 94.8 | Very high | 96.2 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 45% | 0.454 | 35% | 0.345 | S | S | . | . | trans | -86.9 | -29.5 | -173 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | W239 F312 D329 | W239-T314 HydrophobicContact CZ3-CG2 3.77Å; F312-T314 PolarHBondContact O-N 2.82Å; T314-D329 HydrophobicContact CG2-CB 3.95Å; T314-D329 WeakPolarHBondContact OG1-CB 3.21Å; T314-D329 PolarHBondContact OG1-OD2 2.9Å | ||
| 315 | E | 93.4 | Very high | 96.3 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 22% | 0.22 | 32% | 0.322 | C | S | . | . | trans | -153.8 | 173.5 | -175.6 | 63.3 | 80.5 | -108.6 | 0 | 0 | 111.1 | C313 V317 I318 S319 | C313-E315 PolarHBondContact SG-O 3.01Å; E315-V317 PolarHBondContact OE1-N 2.84Å; E315-V317 WeakPolarHBondContact OE2-CA 3.46Å; E315-V317 WeakPolarHBondContact OE2-CB 3.27Å; E315-V317 PolarHBondContact OE2-N 3.07Å; E315-I318 VanDerWaalsContact OE1-CA 3.31Å; E315-I318 WeakPolarHBondContact OE1-CA 3.23Å; E315-I318 VanDerWaalsContact OE1-CB 3.28Å; E315-I318 WeakPolarHBondContact OE1-CB 3.46Å; E315-I318 PolarHBondContact OE1-N 2.84Å; E315-I318 PolarHBondContact OE2-N 2.97Å; E315-S319 WeakPolarHBondContact O-CB 3.14Å; E315-S319 PolarHBondContact O-OG 3.24Å; E315-S319 PolarHBondContact OE1-N 3.14Å; E315-S319 PolarHBondContact OE1-OG 2.91Å | ||
| 316 | K | 95.3 | Very high | 96.4 | Very high | 143 Ų | 143 | 55.2 Ų | 55.2 | 62% | 0.622 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -113.6 | -7.4 | -172.3 | -67.4 | -175 | 173.2 | -164.1 | 0 | 115.2 | S319 N321 | K316-S319 WeakPolarHBondContact CA-OG 3.2Å; K316-N321 WeakPolarHBondContact CD-OD1 3.36Å; K316-N321 PolarHBondContact O-N 3.37Å |
| 317 | V | 95.3 | Very high | 96.4 | Very high | 124 Ų | 124 | 55.7 Ų | 55.7 | 75% | 0.752 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -49.5 | -173 | -179.9 | 0 | 0 | 0 | 0 | 110.7 | E315 | E315-V317 PolarHBondContact OE1-N 2.84Å; E315-V317 WeakPolarHBondContact OE2-CA 3.46Å; E315-V317 WeakPolarHBondContact OE2-CB 3.27Å; E315-V317 PolarHBondContact OE2-N 3.07Å |
| 318 | I | 96.2 | Very high | 96.5 | Very high | 25 Ų | 25 | 52 Ų | 52 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -36.6 | 178.4 | -53.1 | -60 | 0 | 0 | 0 | 110.8 | E315 N320 L392 K394 P408 I410 | E315-I318 VanDerWaalsContact OE1-CA 3.31Å; E315-I318 WeakPolarHBondContact OE1-CA 3.23Å; E315-I318 VanDerWaalsContact OE1-CB 3.28Å; E315-I318 WeakPolarHBondContact OE1-CB 3.46Å; E315-I318 PolarHBondContact OE1-N 2.84Å; E315-I318 PolarHBondContact OE2-N 2.97Å; I318-N320 PolarHBondContact O-N 2.99Å; I318-L392 HydrophobicContact CD1-CD1 4.14Å; I318-L392 HydrophobicContact CD1-CD2 4.33Å; I318-L392 HydrophobicContact CG1-CD2 3.94Å; I318-L392 HydrophobicContact CG2-CD1 4.23Å; I318-L392 HydrophobicContact CG2-CD2 4.29Å; I318-K394 HydrophobicContact CD1-CD 4.49Å; I318-P408 HydrophobicContact CD1-CB 3.78Å; I318-P408 HydrophobicContact CD1-CG 3.81Å; I318-I410 HydrophobicContact CG2-CD1 4.28Å |
| 319 | S | 95.5 | Very high | 96.5 | Very high | 19 Ų | 19 | 48.6 Ų | 48.6 | 13% | 0.133 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 1.3 | 177.5 | 73.5 | 0 | 0 | 0 | 0 | 114.3 | E315 K316 N321 C322 T323 S324 | E315-S319 WeakPolarHBondContact O-CB 3.14Å; E315-S319 PolarHBondContact O-OG 3.24Å; E315-S319 PolarHBondContact OE1-N 3.14Å; E315-S319 PolarHBondContact OE1-OG 2.91Å; K316-S319 WeakPolarHBondContact CA-OG 3.2Å; S319-N321 PolarHBondContact O-N 2.68Å; S319-C322 CarbonylContact O-C 3.6Å; S319-C322 WeakPolarHBondContact O-CA 3.45Å; S319-C322 PolarHBondContact O-N 2.99Å; S319-C322 VanDerWaalsContact O-N 3.13Å; S319-C322 WeakPolarHBondContact OG-CA 3.05Å; S319-C322 PolarHBondContact OG-N 3.36Å; S319-T323 PolarHBondContact O-N 2.83Å; S319-S324 PolarHBondContact O-N 2.58Å; S319-S324 PolarHBondContact O-OG 2.92Å |
| 320 | N | 95.4 | Very high | 96.6 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 54% | 0.54 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 60.7 | -174.2 | -171.5 | 30.9 | 0 | 0 | 0 | 112.2 | I318 C322 T323 | I318-N320 PolarHBondContact O-N 2.99Å; N320-C322 VanDerWaalsContact C-N 3.33Å; N320-C322 PolarHBondContact O-N 3.36Å; N320-T323 PolarHBondContact ND2-OG1 3.22Å; N320-T323 WeakPolarHBondContact O-CB 3.5Å; N320-T323 VanDerWaalsContact O-CG2 3.32Å; N320-T323 WeakPolarHBondContact O-CG2 3.46Å; N320-T323 PolarHBondContact O-N 3.36Å; N320-T323 PolarHBondContact O-OG1 2.74Å |
| 321 | N | 96.6 | Very high | 96.6 | Very high | 100 Ų | 100 | 43.9 Ų | 43.9 | 54% | 0.535 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 43.7 | -173.6 | -164.4 | 40.4 | 0 | 0 | 0 | 113.4 | K316 S319 T323 | K316-N321 WeakPolarHBondContact CD-OD1 3.36Å; K316-N321 PolarHBondContact O-N 3.37Å; S319-N321 PolarHBondContact O-N 2.68Å; N321-T323 VanDerWaalsContact C-N 3.35Å; N321-T323 PolarHBondContact O-N 3.22Å |
| 322 | C | 96.4 | Very high | 96.6 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 37.6 | -177.9 | -52.1 | 0 | 0 | 0 | 0 | 113.9 | P303 C313 S319 N320 | P303-C322 WeakPolarHBondContact CD-O 3.3Å; P303-C322 HydrophobicContact CG-CB 4.19Å; C313-C322 HydrophobicContact CB-CB 3.81Å; C313-C322 WeakPolarHBondContact CB-SG 3.32Å; C313-C322 VanDerWaalsContact SG-CA 3.57Å; C313-C322 WeakPolarHBondContact SG-CB 3.24Å; C313-C322 CovalentContact SG-SG 2.03Å; C313-C322 PolarHBondContact SG-SG 2.88Å; S319-C322 CarbonylContact O-C 3.6Å; S319-C322 WeakPolarHBondContact O-CA 3.45Å; S319-C322 PolarHBondContact O-N 2.99Å; S319-C322 VanDerWaalsContact O-N 3.13Å; S319-C322 WeakPolarHBondContact OG-CA 3.05Å; S319-C322 PolarHBondContact OG-N 3.36Å; N320-C322 VanDerWaalsContact C-N 3.33Å; N320-C322 PolarHBondContact O-N 3.36Å |
| 323 | T | 96.9 | Very high | 96.5 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 26% | 0.258 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -27 | 176.3 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | S302 L304 S319 N320 N321 Y325 | S302-T323 VanDerWaalsContact CB-O 3.29Å; S302-T323 WeakPolarHBondContact CB-O 3.46Å; S302-T323 PolarHBondContact OG-O 3.34Å; L304-T323 HydrophobicContact CD1-CG2 3.53Å; L304-T323 HydrophobicContact CG-CG2 4.26Å; S319-T323 PolarHBondContact O-N 2.83Å; N320-T323 PolarHBondContact ND2-OG1 3.22Å; N320-T323 WeakPolarHBondContact O-CB 3.5Å; N320-T323 VanDerWaalsContact O-CG2 3.32Å; N320-T323 WeakPolarHBondContact O-CG2 3.46Å; N320-T323 PolarHBondContact O-N 3.36Å; N320-T323 PolarHBondContact O-OG1 2.74Å; N321-T323 VanDerWaalsContact C-N 3.35Å; N321-T323 PolarHBondContact O-N 3.22Å; T323-Y325 WeakPolarHBondContact O-CD1 3.26Å |
| 324 | S | 97.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | trans | -66.4 | 148.6 | 171.9 | -50.4 | 0 | 0 | 0 | 0 | 111.2 | S319 S350 D352 | S319-S324 PolarHBondContact O-N 2.58Å; S319-S324 PolarHBondContact O-OG 2.92Å; S324-S350 WeakPolarHBondContact CA-OG 3.24Å; S324-D352 WeakPolarHBondContact CB-OD2 3.13Å; S324-D352 PolarHBondContact OG-OD2 2.9Å | ||
| 325 | Y | 97.6 | Very high | 96.5 | Very high | 59 Ų | 59 | 55.6 Ų | 55.6 | 23% | 0.231 | 29% | 0.285 | C | S | . | . | trans | -147.1 | 172.5 | -174.3 | 58.4 | -95.5 | 0 | 0 | 0 | 113 | F300 S302 T323 V327 H348 A349 S350 | F300-Y325 WeakPolarHBondContact O-CB 3.5Å; S302-Y325 VanDerWaalsContact N-CB 3.3Å; T323-Y325 WeakPolarHBondContact O-CD1 3.26Å; Y325-V327 VanDerWaalsContact C-N 3.28Å; Y325-V327 PolarHBondContact O-N 2.84Å; Y325-H348 VanDerWaalsContact CD2-O 3.24Å; Y325-H348 WeakPolarHBondContact CD2-O 2.99Å; Y325-H348 WeakPolarHBondContact CE2-O 3.16Å; Y325-A349 VanDerWaalsContact O-CA 3.31Å; Y325-A349 WeakPolarHBondContact O-CA 3.47Å; Y325-A349 WeakPolarHBondContact O-CB 3.31Å; Y325-S350 PolarHBondContact N-OG 3.39Å; Y325-S350 PolarHBondContact O-N 3.06Å | ||
| 326 | G | 97.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 78.9 | 6 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | F300 S342 | F300-G326 PolarHBondContact O-N 2.9Å; G326-S342 WeakPolarHBondContact O-CB 3.25Å |
| 327 | V | 97.8 | Very high | 96.7 | Very high | 32 Ų | 32 | 51.5 Ų | 51.5 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 147.7 | 176.9 | -62.4 | 0 | 0 | 0 | 0 | 110.8 | Y325 Y340 I341 F346 V353 I410 | Y325-V327 VanDerWaalsContact C-N 3.28Å; Y325-V327 PolarHBondContact O-N 2.84Å; V327-Y340 HydrophobicContact CB-CD1 4.18Å; V327-Y340 HydrophobicContact CG2-CD1 4.23Å; V327-I341 CarbonylContact C-O 3.47Å; V327-I341 WeakPolarHBondContact CA-O 3.27Å; V327-F346 HydrophobicContact CG1-CD1 4.28Å; V327-F346 HydrophobicContact CG1-CE1 4.26Å; V327-V353 HydrophobicContact CG1-CB 4.48Å; V327-V353 HydrophobicContact CG1-CG1 3.54Å; V327-V353 HydrophobicContact CG1-CG2 4.15Å; V327-V353 HydrophobicContact CG2-CG2 4.23Å; V327-I410 HydrophobicContact CG2-CD1 4.32Å |
| 328 | L | 98.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 45.6 Ų | 45.6 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 116.9 | 179.6 | -176.1 | 70.6 | 0 | 0 | 0 | 110 | W239 R273 F312 I330 Y340 I341 | W239-L328 HydrophobicContact CH2-CD1 3.58Å; W239-L328 HydrophobicContact CH2-CD2 4.43Å; W239-L328 HydrophobicContact CH2-CG 3.96Å; W239-L328 HydrophobicContact CZ2-CD1 4.14Å; W239-L328 HydrophobicContact CZ2-CD2 4.33Å; W239-L328 HydrophobicContact CZ2-CG 4.34Å; W239-L328 HydrophobicContact CZ3-CD1 4.22Å; R273-L328 HydrophobicContact CG-CD2 4Å; F312-L328 HydrophobicContact CB-CD1 3.99Å; F312-L328 HydrophobicContact CD1-CD1 4.14Å; F312-L328 HydrophobicContact CG-CD1 4.29Å; L328-I330 HydrophobicContact CD2-CG2 3.76Å; L328-I330 HydrophobicContact CG-CG2 3.86Å; L328-I330 PolarHBondContact O-N 3Å; L328-Y340 CarbonylContact O-C 3.56Å; L328-Y340 VanDerWaalsContact O-CA 3.3Å; L328-Y340 WeakPolarHBondContact O-CA 3.31Å; L328-I341 PolarHBondContact N-O 2.78Å; L328-I341 PolarHBondContact O-N 2.81Å |
| 329 | D | 98.1 | Very high | 96.9 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 106.3 | 173.2 | -179.3 | -0.2 | 0 | 0 | 0 | 110.4 | W239 T314 G331 Y340 | W239-D329 WeakPolarHBondContact CH2-O 3.32Å; T314-D329 HydrophobicContact CG2-CB 3.95Å; T314-D329 WeakPolarHBondContact OG1-CB 3.21Å; T314-D329 PolarHBondContact OG1-OD2 2.9Å; D329-G331 PolarHBondContact OD1-N 3.35Å; D329-Y340 HydrophobicContact CB-CD1 4.23Å; D329-Y340 HydrophobicContact CB-CE1 3.7Å; D329-Y340 HydrophobicContact CB-CE2 4.05Å; D329-Y340 PolarHBondContact OD2-OH 3.34Å |
| 330 | I | 98 | Very high | 97.1 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | trans | -101.9 | 18.1 | 180 | 65.2 | 160.3 | 0 | 0 | 0 | 112.2 | I271 L328 K332 C333 K334 V339 I341 | I271-I330 WeakPolarHBondContact O-CG2 3.28Å; L328-I330 HydrophobicContact CD2-CG2 3.76Å; L328-I330 HydrophobicContact CG-CG2 3.86Å; L328-I330 PolarHBondContact O-N 3Å; I330-K332 PolarHBondContact O-N 2.01Å; I330-K332 VanDerWaalsContact O-N 3.08Å; I330-C333 PolarHBondContact O-N 3.32Å; I330-C333 VanDerWaalsContact O-N 3.08Å; I330-C333 PolarHBondContact O-SG 3.44Å; I330-K334 HydrophobicContact CD1-CD 4.45Å; I330-K334 HydrophobicContact CD1-CG 3.93Å; I330-K334 HydrophobicContact CG1-CG 4.16Å; I330-K334 PolarHBondContact O-N 2.9Å; I330-V339 HydrophobicContact CD1-CB 4.43Å; I330-V339 HydrophobicContact CD1-CG1 3.86Å; I330-V339 HydrophobicContact CG1-CB 3.98Å; I330-V339 HydrophobicContact CG1-CG1 3.83Å; I330-V339 WeakPolarHBondContact CG1-O 3.37Å; I330-V339 PolarHBondContact N-O 2.75Å; I330-I341 HydrophobicContact CD1-CD1 3.85Å; I330-I341 HydrophobicContact CD1-CG1 3.54Å; I330-I341 HydrophobicContact CG1-CG1 3.97Å; I330-I341 HydrophobicContact CG2-CG1 4.1Å | ||
| 331 | G | 97.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 5% | 0.052 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -57 | -32.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D329 C333 K334 E335 G336 K337 | D329-G331 PolarHBondContact OD1-N 3.35Å; G331-C333 VanDerWaalsContact C-N 3.35Å; G331-C333 PolarHBondContact O-N 2.78Å; G331-K334 CarbonylContact O-C 3.6Å; G331-K334 PolarHBondContact O-N 2.72Å; G331-E335 PolarHBondContact O-N 2.89Å; G331-G336 WeakPolarHBondContact O-CA 3.43Å; G331-G336 PolarHBondContact O-N 2.68Å; G331-K337 WeakPolarHBondContact CA-O 3.47Å |
| 332 | K | 96.6 | Very high | 97.3 | Very high | 131 Ų | 131 | 36.1 Ų | 36.1 | 57% | 0.57 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -63.9 | -34.5 | 179.1 | -163.8 | 173.3 | 169.8 | -163.7 | 0 | 113.8 | S237 Y238 I330 K334 | S237-K332 WeakPolarHBondContact O-CE 3.37Å; S237-K332 PolarHBondContact O-NZ 3.49Å; Y238-K332 HydrophobicContact CD1-CG 4.28Å; Y238-K332 WeakPolarHBondContact O-CD 3.45Å; Y238-K332 PolarHBondContact O-NZ 3.31Å; I330-K332 PolarHBondContact O-N 2.01Å; I330-K332 VanDerWaalsContact O-N 3.08Å; K332-K334 VanDerWaalsContact C-N 3.32Å |
| 333 | C | 96.4 | Very high | 97.4 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 17% | 0.169 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -86.7 | -4.7 | 174.3 | 73 | 0 | 0 | 0 | 0 | 113.1 | Y238 C272 I330 G331 | Y238-C333 HydrophobicContact CD1-CB 4.16Å; Y238-C333 HydrophobicContact CD2-CB 3.78Å; Y238-C333 HydrophobicContact CE1-CB 3.88Å; Y238-C333 HydrophobicContact CE2-CB 3.48Å; Y238-C333 VanDerWaalsContact CE2-CB 3.48Å; Y238-C333 HydrophobicContact CG-CB 4.14Å; C272-C333 HydrophobicContact CB-CB 3.6Å; C272-C333 WeakPolarHBondContact CB-SG 3.46Å; C272-C333 WeakPolarHBondContact SG-CB 3.48Å; C272-C333 CovalentContact SG-SG 2.01Å; C272-C333 PolarHBondContact SG-SG 2.87Å; I330-C333 PolarHBondContact O-N 3.32Å; I330-C333 VanDerWaalsContact O-N 3.08Å; I330-C333 PolarHBondContact O-SG 3.44Å; G331-C333 VanDerWaalsContact C-N 3.35Å; G331-C333 PolarHBondContact O-N 2.78Å |
| 334 | K | 96.7 | Very high | 97.5 | Very high | 77 Ų | 77 | 33.2 Ų | 33.2 | 34% | 0.335 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -111 | 30.4 | 176.6 | -59.2 | -60.2 | -179.6 | -179.7 | 0 | 112.1 | I330 G331 K332 G336 K337 V339 | I330-K334 HydrophobicContact CD1-CD 4.45Å; I330-K334 HydrophobicContact CD1-CG 3.93Å; I330-K334 HydrophobicContact CG1-CG 4.16Å; I330-K334 PolarHBondContact O-N 2.9Å; G331-K334 CarbonylContact O-C 3.6Å; G331-K334 PolarHBondContact O-N 2.72Å; K332-K334 VanDerWaalsContact C-N 3.32Å; K334-G336 VanDerWaalsContact C-N 3.31Å; K334-G336 PolarHBondContact O-N 3.43Å; K334-K337 HydrophobicContact CB-CB 4.34Å; K334-K337 WeakPolarHBondContact O-CB 3.42Å; K334-K337 WeakPolarHBondContact O-CD 3.46Å; K334-K337 WeakPolarHBondContact O-CG 3.31Å; K334-K337 PolarHBondContact O-N 3.39Å; K334-K337 PolarHBondContact O-NZ 3.36Å; K334-V339 HydrophobicContact CB-CG2 4.17Å; K334-V339 HydrophobicContact CG-CB 4.21Å; K334-V339 HydrophobicContact CG-CG2 4.18Å |
| 335 | E | 94.5 | Very high | 97.6 | Very high | 154 Ų | 154 | 32.8 Ų | 32.8 | 72% | 0.72 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 42 | 179 | -50.7 | 147.9 | -119.8 | 0 | 0 | 113.1 | G331 K337 | G331-E335 PolarHBondContact O-N 2.89Å; E335-K337 VanDerWaalsContact C-N 3.27Å; E335-K337 PolarHBondContact O-N 3.13Å; E335-K337 IonicContact OE1-NZ 3.37Å; E335-K337 PolarHBondContact OE1-NZ 2.89Å; E335-K337 IonicContact OE2-NZ 3Å; E335-K337 PolarHBondContact OE2-NZ 3.45Å |
| 336 | G | 95.8 | Very high | 97.6 | Very high | 33 Ų | 33 | 30.3 Ų | 30.3 | 34% | 0.34 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -0.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | H147 I148 G331 K334 | H147-G336 PolarHBondContact CD2-O 3.35Å; I148-G336 WeakPolarHBondContact CG1-O 3.44Å; G331-G336 WeakPolarHBondContact O-CA 3.43Å; G331-G336 PolarHBondContact O-N 2.68Å; K334-G336 VanDerWaalsContact C-N 3.31Å; K334-G336 PolarHBondContact O-N 3.43Å |
| 337 | K | 97.3 | Very high | 97.7 | Very high | 70 Ų | 70 | 30.8 Ų | 30.8 | 30% | 0.304 | 16% | 0.158 | S | C | . | . | trans | -65.2 | 139.7 | 175.5 | -61.4 | 172.4 | -166.8 | 77.7 | 0 | 109.6 | A144 I148 G331 K334 E335 V339 | A144-K337 HydrophobicContact CB-CB 4.45Å; A144-K337 HydrophobicContact CB-CG 4.33Å; I148-K337 HydrophobicContact CD1-CG 4.08Å; G331-K337 WeakPolarHBondContact CA-O 3.47Å; K334-K337 HydrophobicContact CB-CB 4.34Å; K334-K337 WeakPolarHBondContact O-CB 3.42Å; K334-K337 WeakPolarHBondContact O-CD 3.46Å; K334-K337 WeakPolarHBondContact O-CG 3.31Å; K334-K337 PolarHBondContact O-N 3.39Å; K334-K337 PolarHBondContact O-NZ 3.36Å; E335-K337 VanDerWaalsContact C-N 3.27Å; E335-K337 PolarHBondContact O-N 3.13Å; E335-K337 IonicContact OE1-NZ 3.37Å; E335-K337 PolarHBondContact OE1-NZ 2.89Å; E335-K337 IonicContact OE2-NZ 3Å; E335-K337 PolarHBondContact OE2-NZ 3.45Å; K337-V339 HydrophobicContact CB-CG2 4.12Å; K337-V339 PolarHBondContact O-N 2.93Å | ||
| 338 | P | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -77.4 | 58 | -172.5 | 31.4 | -35.9 | 0 | 0 | 0 | 113.5 | A144 H147 I391 L392 | A144-P338 HydrophobicContact CB-CG 4.46Å; H147-P338 HydrophobicContact CB-CB 4.19Å; H147-P338 HydrophobicContact CB-CG 3.86Å; P338-I391 HydrophobicContact CG-CG1 4.04Å; P338-I391 WeakPolarHBondContact O-CA 3.38Å; P338-L392 HydrophobicContact CB-CB 4.04Å; P338-L392 WeakPolarHBondContact CG-O 3.5Å; P338-L392 PolarHBondContact O-N 2.94Å | ||
| 339 | V | 98.6 | Very high | 97.6 | Very high | 26 Ų | 26 | 32 Ų | 32 | 16% | 0.158 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 126.9 | -176.1 | -176.9 | 0 | 0 | 0 | 0 | 110.4 | I330 K334 K337 I341 V389 | I330-V339 HydrophobicContact CD1-CB 4.43Å; I330-V339 HydrophobicContact CD1-CG1 3.86Å; I330-V339 HydrophobicContact CG1-CB 3.98Å; I330-V339 HydrophobicContact CG1-CG1 3.83Å; I330-V339 WeakPolarHBondContact CG1-O 3.37Å; I330-V339 PolarHBondContact N-O 2.75Å; K334-V339 HydrophobicContact CB-CG2 4.17Å; K334-V339 HydrophobicContact CG-CB 4.21Å; K334-V339 HydrophobicContact CG-CG2 4.18Å; K337-V339 HydrophobicContact CB-CG2 4.12Å; K337-V339 PolarHBondContact O-N 2.93Å; V339-I341 HydrophobicContact CG1-CD1 4.47Å; V339-V389 HydrophobicContact CG1-CG1 4.12Å |
| 340 | Y | 98.6 | Very high | 97.5 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.8 | 177.5 | -80 | -112.3 | 0 | 0 | 0 | 109.9 | V327 L328 D329 N390 L392 I410 | V327-Y340 HydrophobicContact CB-CD1 4.18Å; V327-Y340 HydrophobicContact CG2-CD1 4.23Å; L328-Y340 CarbonylContact O-C 3.56Å; L328-Y340 VanDerWaalsContact O-CA 3.3Å; L328-Y340 WeakPolarHBondContact O-CA 3.31Å; D329-Y340 HydrophobicContact CB-CD1 4.23Å; D329-Y340 HydrophobicContact CB-CE1 3.7Å; D329-Y340 HydrophobicContact CB-CE2 4.05Å; D329-Y340 PolarHBondContact OD2-OH 3.34Å; Y340-N390 PolarHBondContact N-O 3.38Å; Y340-N390 WeakPolarHBondContact O-CA 3.49Å; Y340-N390 WeakPolarHBondContact O-CB 3.46Å; Y340-N390 PolarHBondContact O-N 2.93Å; Y340-N390 PolarHBondContact O-ND2 3.49Å; Y340-L392 HydrophobicContact CD2-CB 3.83Å; Y340-L392 HydrophobicContact CE2-CB 3.69Å; Y340-L392 HydrophobicContact CE2-CD2 3.66Å; Y340-L392 HydrophobicContact CE2-CG 4.34Å; Y340-I410 HydrophobicContact CD1-CD1 4.04Å; Y340-I410 HydrophobicContact CE1-CD1 4.24Å; Y340-I410 HydrophobicContact CG-CG2 4.48Å |
| 341 | I | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.041 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 140.7 | 173.1 | -58 | -58.8 | 0 | 0 | 0 | 109.8 | I271 V327 L328 I330 V339 L387 Q388 V389 | I271-I341 HydrophobicContact CG2-CG1 4.47Å; I271-I341 HydrophobicContact CG2-CG2 3.88Å; V327-I341 CarbonylContact C-O 3.47Å; V327-I341 WeakPolarHBondContact CA-O 3.27Å; L328-I341 PolarHBondContact N-O 2.78Å; L328-I341 PolarHBondContact O-N 2.81Å; I330-I341 HydrophobicContact CD1-CD1 3.85Å; I330-I341 HydrophobicContact CD1-CG1 3.54Å; I330-I341 HydrophobicContact CG1-CG1 3.97Å; I330-I341 HydrophobicContact CG2-CG1 4.1Å; V339-I341 HydrophobicContact CG1-CD1 4.47Å; I341-L387 HydrophobicContact CG2-CB 4.34Å; I341-Q388 WeakPolarHBondContact CA-O 3.46Å; I341-V389 HydrophobicContact CD1-CG2 4.16Å |
| 342 | S | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 179.7 | 171.6 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | G326 F346 Q388 N390 | G326-S342 WeakPolarHBondContact O-CB 3.25Å; S342-F346 VanDerWaalsContact OG-CD1 3.27Å; S342-F346 WeakPolarHBondContact OG-CD1 3.26Å; S342-F346 WeakPolarHBondContact OG-CE1 3.4Å; S342-Q388 PolarHBondContact N-O 3.41Å; S342-Q388 PolarHBondContact O-N 3.06Å; S342-Q388 WeakPolarHBondContact OG-CB 3.23Å; S342-Q388 PolarHBondContact OG-NE2 3.49Å; S342-N390 PolarHBondContact OG-ND2 3.38Å |
| 343 | L | 98.5 | Very high | 97.3 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | trans | -75.8 | 158 | 160.9 | -63 | -179.6 | 0 | 0 | 0 | 110.3 | F300 F346 L347 | F300-L343 HydrophobicContact CD2-CD1 4.47Å; F300-L343 HydrophobicContact CE2-CD1 4.39Å; F300-L343 HydrophobicContact CE2-CD2 4.1Å; F300-L343 HydrophobicContact CE2-CG 4.25Å; F300-L343 HydrophobicContact CZ-CD2 4.26Å; L343-F346 PolarHBondContact O-N 2.63Å; L343-F346 VanDerWaalsContact O-N 3.11Å; L343-L347 HydrophobicContact CB-CB 3.9Å; L343-L347 HydrophobicContact CD1-CB 4.35Å; L343-L347 HydrophobicContact CD1-CD2 4.18Å; L343-L347 HydrophobicContact CD1-CG 4.36Å | ||
| 344 | P | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -54.7 | 141 | 177 | -21.4 | 30.2 | 0 | 0 | 0 | 112.9 | F346 L347 H367 R386 W415 | P344-F346 PolarHBondContact O-N 3.44Å; P344-F346 VanDerWaalsContact O-N 3.1Å; P344-L347 WeakPolarHBondContact O-CB 3.32Å; P344-L347 PolarHBondContact O-N 2.83Å; P344-H367 HydrophobicContact CB-CB 3.81Å; P344-H367 WeakPolarHBondContact CD-O 3.45Å; P344-H367 HydrophobicContact CG-CB 4.03Å; P344-R386 HydrophobicContact CG-CB 3.89Å; P344-W415 HydrophobicContact CB-CB 3.89Å; P344-W415 HydrophobicContact CB-CD2 3.79Å; P344-W415 HydrophobicContact CB-CE3 3.92Å; P344-W415 HydrophobicContact CB-CG 3.8Å; P344-W415 HydrophobicContact CG-CB 4.14Å; P344-W415 HydrophobicContact CG-CD2 4.11Å; P344-W415 HydrophobicContact CG-CE3 3.74Å; P344-W415 HydrophobicContact CG-CG 4.32Å; P344-W415 HydrophobicContact CG-CZ3 4.43Å |
| 345 | H | 98.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 4% | 0.037 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | 55.3 | 22.5 | -175.1 | -68.1 | -98.2 | 0 | 0 | 0 | 114.6 | F68 Q87 L347 L360 N361 P362 H367 W415 | F68-H345 AromaticContact CE1-CE1 3.7Å; F68-H345 AromaticContact CE1-NE2 3.98Å; F68-H345 AromaticContact CZ-CE1 3.99Å; F68-H345 AromaticContact CZ-NE2 3.89Å; Q87-H345 PolarHBondContact OE1-CE1 3.26Å; Q87-H345 PolarHBondContact OE1-NE2 3.06Å; H345-L347 PolarHBondContact O-N 2.79Å; H345-L360 HydrophobicContact CB-CB 4.37Å; H345-L360 WeakPolarHBondContact ND1-CA 3.31Å; H345-N361 PolarHBondContact ND1-N 3.41Å; H345-P362 HydrophobicContact CB-CB 4.11Å; H345-H367 AromaticContact CD2-CE1 3.16Å; H345-H367 PolarHBondContact CD2-CE1 3.44Å; H345-H367 AromaticContact CD2-ND1 3.88Å; H345-H367 AromaticContact CD2-NE2 3.32Å; H345-H367 PolarHBondContact CD2-NE2 3.14Å; H345-H367 VanDerWaalsContact CD2-NE2 3.32Å; H345-H367 AromaticContact CG-CE1 3.6Å; H345-H367 AromaticContact NE2-CE1 3.99Å; H345-H367 AromaticContact NE2-NE2 3.94Å; H345-W415 AromaticContact CD2-NE1 3.96Å; H345-W415 AromaticContact NE2-NE1 3.57Å |
| 346 | F | 98.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 3% | 0.031 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | 56.6 | 37.1 | -172.3 | -59.9 | -56.4 | 0 | 0 | 0 | 113 | V327 S342 L343 P344 H348 A349 V353 I357 L360 Q388 N390 I410 P412 | V327-F346 HydrophobicContact CG1-CD1 4.28Å; V327-F346 HydrophobicContact CG1-CE1 4.26Å; S342-F346 VanDerWaalsContact OG-CD1 3.27Å; S342-F346 WeakPolarHBondContact OG-CD1 3.26Å; S342-F346 WeakPolarHBondContact OG-CE1 3.4Å; L343-F346 PolarHBondContact O-N 2.63Å; L343-F346 VanDerWaalsContact O-N 3.11Å; P344-F346 PolarHBondContact O-N 3.44Å; P344-F346 VanDerWaalsContact O-N 3.1Å; F346-H348 PolarHBondContact O-N 3.12Å; F346-A349 HydrophobicContact CB-CB 3.74Å; F346-A349 VanDerWaalsContact O-CB 3.29Å; F346-A349 WeakPolarHBondContact O-CB 3.43Å; F346-A349 PolarHBondContact O-N 3.25Å; F346-V353 HydrophobicContact CD1-CG1 3.74Å; F346-V353 HydrophobicContact CD2-CG1 4.21Å; F346-V353 HydrophobicContact CE1-CG1 3.81Å; F346-V353 HydrophobicContact CE2-CG1 4.3Å; F346-V353 HydrophobicContact CG-CG1 3.99Å; F346-V353 HydrophobicContact CZ-CG1 4.11Å; F346-I357 HydrophobicContact CE2-CG1 4.21Å; F346-L360 HydrophobicContact CD2-CD1 3.36Å; F346-L360 HydrophobicContact CE2-CD1 3.85Å; F346-L360 HydrophobicContact CG-CD1 4.42Å; F346-Q388 VanDerWaalsContact CE1-NE2 3.25Å; F346-N390 VanDerWaalsContact CE1-OD1 3.23Å; F346-N390 WeakPolarHBondContact CE1-OD1 3.47Å; F346-N390 VanDerWaalsContact CZ-OD1 3.26Å; F346-N390 WeakPolarHBondContact CZ-OD1 3.43Å; F346-I410 HydrophobicContact CE1-CG2 4.19Å; F346-I410 HydrophobicContact CZ-CG2 4.07Å; F346-P412 HydrophobicContact CE2-CG 4.4Å; F346-P412 HydrophobicContact CZ-CB 4.3Å |
| 347 | L | 98.2 | Very high | 97.6 | Very high | 11 Ų | 11 | 26.7 Ų | 26.7 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | 132.7 | 169.4 | -178.3 | 70 | 0 | 0 | 0 | 109.6 | L343 P344 H345 A349 P362 H367 | L343-L347 HydrophobicContact CB-CB 3.9Å; L343-L347 HydrophobicContact CD1-CB 4.35Å; L343-L347 HydrophobicContact CD1-CD2 4.18Å; L343-L347 HydrophobicContact CD1-CG 4.36Å; P344-L347 WeakPolarHBondContact O-CB 3.32Å; P344-L347 PolarHBondContact O-N 2.83Å; H345-L347 PolarHBondContact O-N 2.79Å; L347-A349 PolarHBondContact O-N 2.87Å; L347-P362 HydrophobicContact CB-CB 4.21Å; L347-P362 HydrophobicContact CD1-CB 4Å; L347-H367 HydrophobicContact CB-CB 4.14Å; L347-H367 HydrophobicContact CD2-CB 3.84Å |
| 348 | H | 96.2 | Very high | 97.6 | Very high | 48 Ų | 48 | 28.4 Ų | 28.4 | 22% | 0.222 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 17.3 | -177 | -58.1 | -39 | 0 | 0 | 0 | 116.1 | V297 Y325 F346 E364 | V297-H348 HydrophobicContact CG1-CB 4.15Å; Y325-H348 VanDerWaalsContact CD2-O 3.24Å; Y325-H348 WeakPolarHBondContact CD2-O 2.99Å; Y325-H348 WeakPolarHBondContact CE2-O 3.16Å; F346-H348 PolarHBondContact O-N 3.12Å; H348-E364 IonicContact CD2-OE1 3.98Å; H348-E364 IonicContact CE1-OE1 3.27Å; H348-E364 PolarHBondContact CE1-OE1 2.92Å; H348-E364 IonicContact CE1-OE2 3.59Å; H348-E364 PolarHBondContact CE1-OE2 3.28Å; H348-E364 VanDerWaalsContact NE2-CD 3.27Å; H348-E364 IonicContact NE2-OE1 2.75Å; H348-E364 PolarHBondContact NE2-OE1 2.95Å; H348-E364 IonicContact NE2-OE2 2.69Å; H348-E364 PolarHBondContact NE2-OE2 3.1Å |
| 349 | A | 97.5 | Very high | 97.6 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 14% | 0.14 | 18% | 0.178 | C | C | . | . | trans | -91.7 | 158.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y325 F346 L347 V353 | Y325-A349 VanDerWaalsContact O-CA 3.31Å; Y325-A349 WeakPolarHBondContact O-CA 3.47Å; Y325-A349 WeakPolarHBondContact O-CB 3.31Å; F346-A349 HydrophobicContact CB-CB 3.74Å; F346-A349 VanDerWaalsContact O-CB 3.29Å; F346-A349 WeakPolarHBondContact O-CB 3.43Å; F346-A349 PolarHBondContact O-N 3.25Å; L347-A349 PolarHBondContact O-N 2.87Å; A349-V353 HydrophobicContact CB-CB 4.33Å; A349-V353 HydrophobicContact CB-CG1 4.33Å | ||
| 350 | S | 96.9 | Very high | 97.6 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -67.3 | 147.9 | 177 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | S324 Y325 D352 V353 | S324-S350 WeakPolarHBondContact CA-OG 3.24Å; Y325-S350 PolarHBondContact N-OG 3.39Å; Y325-S350 PolarHBondContact O-N 3.06Å; S350-D352 VanDerWaalsContact C-N 3.25Å; S350-D352 WeakPolarHBondContact CB-OD1 3.35Å; S350-D352 PolarHBondContact O-N 2.97Å; S350-D352 PolarHBondContact OG-OD1 2.83Å; S350-V353 WeakPolarHBondContact O-CB 3.01Å; S350-V353 PolarHBondContact O-N 3.23Å; S350-V353 WeakPolarHBondContact OG-CG2 3.34Å | ||
| 351 | P | 96.1 | Very high | 97.6 | Very high | 90 Ų | 90 | 36 Ų | 36 | 58% | 0.584 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -55.3 | -38.1 | -176.6 | -29.2 | 36.3 | 0 | 0 | 0 | 113.7 | V353 S354 E355 | P351-V353 PolarHBondContact O-N 3.4Å; P351-V353 VanDerWaalsContact O-N 3.16Å; P351-S354 PolarHBondContact O-N 3.32Å; P351-S354 PolarHBondContact O-OG 3.31Å; P351-E355 VanDerWaalsContact O-CB 3.25Å; P351-E355 WeakPolarHBondContact O-CB 3.18Å; P351-E355 PolarHBondContact O-N 2.6Å |
| 352 | D | 95.6 | Very high | 97.5 | Very high | 73 Ų | 73 | 39 Ų | 39 | 39% | 0.39 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.1 | -26 | 178.5 | 59.4 | -65 | 0 | 0 | 0 | 114.1 | S324 S350 P356 | S324-D352 WeakPolarHBondContact CB-OD2 3.13Å; S324-D352 PolarHBondContact OG-OD2 2.9Å; S350-D352 VanDerWaalsContact C-N 3.25Å; S350-D352 WeakPolarHBondContact CB-OD1 3.35Å; S350-D352 PolarHBondContact O-N 2.97Å; S350-D352 PolarHBondContact OG-OD1 2.83Å; D352-P356 WeakPolarHBondContact O-CD 3.36Å |
| 353 | V | 96.9 | Very high | 97.5 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.3 | -43.3 | 174.6 | 174 | 0 | 0 | 0 | 0 | 111.2 | V327 F346 A349 S350 P351 I410 | V327-V353 HydrophobicContact CG1-CB 4.48Å; V327-V353 HydrophobicContact CG1-CG1 3.54Å; V327-V353 HydrophobicContact CG1-CG2 4.15Å; V327-V353 HydrophobicContact CG2-CG2 4.23Å; F346-V353 HydrophobicContact CD1-CG1 3.74Å; F346-V353 HydrophobicContact CD2-CG1 4.21Å; F346-V353 HydrophobicContact CE1-CG1 3.81Å; F346-V353 HydrophobicContact CE2-CG1 4.3Å; F346-V353 HydrophobicContact CG-CG1 3.99Å; F346-V353 HydrophobicContact CZ-CG1 4.11Å; A349-V353 HydrophobicContact CB-CB 4.33Å; A349-V353 HydrophobicContact CB-CG1 4.33Å; S350-V353 WeakPolarHBondContact O-CB 3.01Å; S350-V353 PolarHBondContact O-N 3.23Å; S350-V353 WeakPolarHBondContact OG-CG2 3.34Å; P351-V353 PolarHBondContact O-N 3.4Å; P351-V353 VanDerWaalsContact O-N 3.16Å; V353-I410 HydrophobicContact CG1-CD1 4.43Å |
| 354 | S | 96 | Very high | 97.3 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 27% | 0.273 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -88.3 | -29.9 | -172.5 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | P351 P356 I357 | P351-S354 PolarHBondContact O-N 3.32Å; P351-S354 PolarHBondContact O-OG 3.31Å; S354-P356 VanDerWaalsContact C-N 3.35Å; S354-I357 PolarHBondContact O-N 2.81Å; S354-I357 VanDerWaalsContact O-O 3.08Å |
| 355 | E | 95.9 | Very high | 97.1 | Very high | 106 Ų | 106 | 50.7 Ų | 50.7 | 50% | 0.495 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -33.4 | -174.4 | -155.4 | -128.5 | 131 | 0 | 0 | 115.6 | K82 P351 I357 | K82-E355 WeakPolarHBondContact CD-O 3.47Å; K82-E355 VanDerWaalsContact CE-O 3.23Å; K82-E355 WeakPolarHBondContact CE-O 3.23Å; K82-E355 PolarHBondContact NZ-O 3.44Å; K82-E355 IonicContact NZ-OE1 3.99Å; K82-E355 PolarHBondContact NZ-OE1 2.68Å; P351-E355 VanDerWaalsContact O-CB 3.25Å; P351-E355 WeakPolarHBondContact O-CB 3.18Å; P351-E355 PolarHBondContact O-N 2.6Å; E355-I357 PolarHBondContact O-N 3.47Å |
| 356 | P | 97.4 | Very high | 97 | Very high | 13 Ų | 13 | 54.1 Ų | 54.1 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -9.5 | 174.5 | -20.5 | 35 | 0 | 0 | 0 | 114.7 | K82 I83 D352 S354 Y409 | K82-P356 CarbonylContact C-O 3.59Å; K82-P356 VanDerWaalsContact CA-O 3.28Å; K82-P356 WeakPolarHBondContact CA-O 3.31Å; K82-P356 WeakPolarHBondContact CB-O 3.45Å; I83-P356 PolarHBondContact N-O 2.9Å; D352-P356 WeakPolarHBondContact O-CD 3.36Å; S354-P356 VanDerWaalsContact C-N 3.35Å; P356-Y409 HydrophobicContact CB-CD1 3.7Å; P356-Y409 HydrophobicContact CB-CE1 3.8Å |
| 357 | I | 98.4 | Very high | 97 | Very high | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.8 | -174.6 | -46.5 | -59.6 | 0 | 0 | 0 | 110 | I83 V85 F346 S354 E355 L360 P412 | I83-I357 HydrophobicContact CB-CD1 3.86Å; I83-I357 HydrophobicContact CD1-CD1 3.87Å; I83-I357 HydrophobicContact CG1-CD1 4.02Å; I83-I357 CarbonylContact O-C 3.57Å; I83-I357 WeakPolarHBondContact O-CA 3.26Å; V85-I357 HydrophobicContact CG1-CG2 4.31Å; V85-I357 HydrophobicContact CG2-CG2 3.79Å; F346-I357 HydrophobicContact CE2-CG1 4.21Å; S354-I357 PolarHBondContact O-N 2.81Å; S354-I357 VanDerWaalsContact O-O 3.08Å; E355-I357 PolarHBondContact O-N 3.47Å; I357-L360 HydrophobicContact CB-CD1 3.89Å; I357-L360 HydrophobicContact CB-CG 4.29Å; I357-L360 HydrophobicContact CG2-CD1 3.9Å; I357-L360 HydrophobicContact CG2-CD2 4.06Å; I357-L360 HydrophobicContact CG2-CG 3.83Å; I357-P412 HydrophobicContact CG2-CG 4.06Å |
| 358 | Q | 98.4 | Very high | 97 | Very high | 105 Ų | 105 | 55 Ų | 55 | 49% | 0.491 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 137.7 | 176.2 | -177.1 | 178 | 4.7 | 0 | 0 | 110.1 | I83 K84 V85 | I83-Q358 PolarHBondContact O-N 3.44Å; K84-Q358 WeakPolarHBondContact CA-O 3.35Å; K84-Q358 VanDerWaalsContact CE-OE1 3.27Å; K84-Q358 HydrophobicContact CG-CB 4.14Å; K84-Q358 HydrophobicContact CG-CG 4.43Å; V85-Q358 WeakPolarHBondContact CG2-O 3.46Å; V85-Q358 PolarHBondContact N-O 2.9Å |
| 359 | G | 97.8 | Very high | 97.1 | Very high | 48 Ų | 48 | 53.3 Ų | 53.3 | 50% | 0.495 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 105.2 | 9.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 360 | L | 98.2 | Very high | 97.1 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 18% | 0.183 | 30% | 0.295 | C | S | . | . | trans | -85.6 | 144.3 | 172.6 | -54.7 | -179.8 | 0 | 0 | 0 | 111 | F68 V85 H345 F346 I357 | F68-L360 HydrophobicContact CD1-CD2 4.36Å; F68-L360 HydrophobicContact CE1-CD2 3.72Å; F68-L360 HydrophobicContact CZ-CD2 4.09Å; V85-L360 HydrophobicContact CG2-CD2 4.03Å; H345-L360 HydrophobicContact CB-CB 4.37Å; H345-L360 WeakPolarHBondContact ND1-CA 3.31Å; F346-L360 HydrophobicContact CD2-CD1 3.36Å; F346-L360 HydrophobicContact CE2-CD1 3.85Å; F346-L360 HydrophobicContact CG-CD1 4.42Å; I357-L360 HydrophobicContact CB-CD1 3.89Å; I357-L360 HydrophobicContact CB-CG 4.29Å; I357-L360 HydrophobicContact CG2-CD1 3.9Å; I357-L360 HydrophobicContact CG2-CD2 4.06Å; I357-L360 HydrophobicContact CG2-CG 3.83Å | ||
| 361 | N | 97.8 | Very high | 97.2 | Very high | 116 Ų | 116 | 54 Ų | 54 | 62% | 0.62 | 30% | 0.296 | S | S | * | . | trans | -141.8 | 75.8 | 177.8 | -172.6 | 38 | 0 | 0 | 0 | 109.8 | H345 N363 H367 | H345-N361 PolarHBondContact ND1-N 3.41Å; N361-N363 PolarHBondContact O-N 3.13Å; N361-H367 PolarHBondContact O-CE1 3.38Å; N361-H367 VanDerWaalsContact O-CE1 3.29Å | ||
| 362 | P | 97.6 | Very high | 97.3 | Very high | 69 Ų | 69 | 49.7 Ų | 49.7 | 45% | 0.448 | 27% | 0.268 | S | S | . | . | trans | -63.9 | 131 | -178.5 | 26.7 | -33.5 | 0 | 0 | 0 | 111.5 | H345 L347 | H345-P362 HydrophobicContact CB-CB 4.11Å; L347-P362 HydrophobicContact CB-CB 4.21Å; L347-P362 HydrophobicContact CD1-CB 4Å | ||
| 363 | N | 97.7 | Very high | 97.4 | Very high | 70 Ų | 70 | 46.2 Ų | 46.2 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | trans | -133.2 | 131.7 | 177.2 | 178.4 | -78.9 | 0 | 0 | 0 | 109.4 | N361 D365 E366 H367 | N361-N363 PolarHBondContact O-N 3.13Å; N363-D365 PolarHBondContact O-N 3.2Å; N363-D365 PolarHBondContact OD1-N 2.9Å; N363-E366 HydrophobicContact CB-CB 4.01Å; N363-E366 PolarHBondContact O-N 3.03Å; N363-E366 PolarHBondContact OD1-N 3.18Å; N363-H367 PolarHBondContact N-ND1 3.08Å; N363-H367 VanDerWaalsContact N-ND1 3.14Å; N363-H367 VanDerWaalsContact O-CB 3.26Å; N363-H367 WeakPolarHBondContact O-CB 3.43Å; N363-H367 PolarHBondContact O-N 3.11Å | ||
| 364 | E | 95.4 | Very high | 97.3 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 40% | 0.397 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.5 | -49.2 | -175.5 | -162.4 | 67.1 | -154.4 | 0 | 0 | 111.7 | H348 E366 R368 | H348-E364 IonicContact CD2-OE1 3.98Å; H348-E364 IonicContact CE1-OE1 3.27Å; H348-E364 PolarHBondContact CE1-OE1 2.92Å; H348-E364 IonicContact CE1-OE2 3.59Å; H348-E364 PolarHBondContact CE1-OE2 3.28Å; H348-E364 VanDerWaalsContact NE2-CD 3.27Å; H348-E364 IonicContact NE2-OE1 2.75Å; H348-E364 PolarHBondContact NE2-OE1 2.95Å; H348-E364 IonicContact NE2-OE2 2.69Å; H348-E364 PolarHBondContact NE2-OE2 3.1Å; E364-E366 PolarHBondContact O-N 3.49Å; E364-R368 WeakPolarHBondContact O-CB 3.16Å; E364-R368 WeakPolarHBondContact O-CD 3.24Å; E364-R368 WeakPolarHBondContact O-CG 3.46Å; E364-R368 PolarHBondContact O-N 3.11Å |
| 365 | D | 94.1 | Very high | 97.3 | Very high | 102 Ų | 102 | 44.9 Ų | 44.9 | 55% | 0.545 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.8 | -35.9 | -176.4 | -73.4 | -43.9 | 0 | 0 | 0 | 113 | N363 R368 R386 | N363-D365 PolarHBondContact O-N 3.2Å; N363-D365 PolarHBondContact OD1-N 2.9Å; D365-R368 IonicContact OD1-CZ 3.19Å; D365-R368 IonicContact OD1-NE 3.02Å; D365-R368 PolarHBondContact OD1-NE 2.79Å; D365-R368 IonicContact OD1-NH2 2.66Å; D365-R368 PolarHBondContact OD1-NH2 3.08Å; D365-R386 PolarHBondContact O-NH1 3.41Å; D365-R386 PolarHBondContact O-NH2 3.35Å |
| 366 | E | 96.9 | Very high | 97.2 | Very high | 79 Ų | 79 | 42.2 Ų | 42.2 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -78.9 | -31.7 | 179.8 | -165 | 178.2 | 177.8 | 0 | 0 | 112.7 | N363 E364 R386 | N363-E366 HydrophobicContact CB-CB 4.01Å; N363-E366 PolarHBondContact O-N 3.03Å; N363-E366 PolarHBondContact OD1-N 3.18Å; E364-E366 PolarHBondContact O-N 3.49Å; E366-R386 WeakPolarHBondContact O-CD 3.37Å; E366-R386 PolarHBondContact O-NE 2.89Å; E366-R386 VanDerWaalsContact O-NE 3.13Å; E366-R386 PolarHBondContact O-NH1 3.37Å |
| 367 | H | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -116.5 | -7.1 | -167.2 | -54.9 | 149.7 | 0 | 0 | 0 | 115.1 | P344 H345 L347 N361 N363 | P344-H367 HydrophobicContact CB-CB 3.81Å; P344-H367 WeakPolarHBondContact CD-O 3.45Å; P344-H367 HydrophobicContact CG-CB 4.03Å; H345-H367 AromaticContact CD2-CE1 3.16Å; H345-H367 PolarHBondContact CD2-CE1 3.44Å; H345-H367 AromaticContact CD2-ND1 3.88Å; H345-H367 AromaticContact CD2-NE2 3.32Å; H345-H367 PolarHBondContact CD2-NE2 3.14Å; H345-H367 VanDerWaalsContact CD2-NE2 3.32Å; H345-H367 AromaticContact CG-CE1 3.6Å; H345-H367 AromaticContact NE2-CE1 3.99Å; H345-H367 AromaticContact NE2-NE2 3.94Å; L347-H367 HydrophobicContact CB-CB 4.14Å; L347-H367 HydrophobicContact CD2-CB 3.84Å; N361-H367 PolarHBondContact O-CE1 3.38Å; N361-H367 VanDerWaalsContact O-CE1 3.29Å; N363-H367 PolarHBondContact N-ND1 3.08Å; N363-H367 VanDerWaalsContact N-ND1 3.14Å; N363-H367 VanDerWaalsContact O-CB 3.26Å; N363-H367 WeakPolarHBondContact O-CB 3.43Å; N363-H367 PolarHBondContact O-N 3.11Å |
| 368 | R | 97.2 | Very high | 96.8 | Very high | 37 Ų | 37 | 41.1 Ų | 41.1 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | trans | -69.2 | 155.3 | 172.7 | 70.4 | -171.8 | 163.2 | 150.3 | -7.6 | 113 | E280 E364 D365 R386 | E280-R368 IonicContact OE1-CZ 2.81Å; E280-R368 IonicContact OE1-NH1 2.62Å; E280-R368 PolarHBondContact OE1-NH1 3.31Å; E280-R368 IonicContact OE2-CZ 2.71Å; E280-R368 IonicContact OE2-NH1 3.11Å; E280-R368 PolarHBondContact OE2-NH1 3.28Å; E364-R368 WeakPolarHBondContact O-CB 3.16Å; E364-R368 WeakPolarHBondContact O-CD 3.24Å; E364-R368 WeakPolarHBondContact O-CG 3.46Å; E364-R368 PolarHBondContact O-N 3.11Å; D365-R368 IonicContact OD1-CZ 3.19Å; D365-R368 IonicContact OD1-NE 3.02Å; D365-R368 PolarHBondContact OD1-NE 2.79Å; D365-R368 IonicContact OD1-NH2 2.66Å; D365-R368 PolarHBondContact OD1-NH2 3.08Å; R368-R386 VanDerWaalsContact O-CD 3.24Å; R368-R386 WeakPolarHBondContact O-CD 3.36Å; R368-R386 PolarHBondContact O-NH1 3.35Å | ||
| 369 | T | 97.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | trans | -100.3 | 134.9 | 168.6 | -71.1 | 0 | 0 | 0 | 0 | 110 | L295 A384 R386 | L295-T369 HydrophobicContact CD1-CG2 3.51Å; L295-T369 HydrophobicContact CD2-CG2 4.18Å; L295-T369 HydrophobicContact CG-CG2 4.4Å; L295-T369 PolarHBondContact N-O 3.45Å; T369-A384 VanDerWaalsContact CA-O 3.24Å; T369-A384 WeakPolarHBondContact CA-O 3.2Å; T369-A384 WeakPolarHBondContact CG2-O 3.25Å; T369-R386 PolarHBondContact OG1-N 2.98Å; T369-R386 PolarHBondContact OG1-O 3.11Å; T369-R386 VanDerWaalsContact OG1-O 3.09Å | ||
| 370 | Y | 98.3 | Very high | 96.7 | Very high | 25 Ų | 25 | 36.3 Ų | 36.3 | 10% | 0.098 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 156.7 | 176.6 | 74.2 | -93.6 | 0 | 0 | 0 | 112.9 | F293 D372 Q382 F383 A384 | F293-Y370 CarbonylContact O-C 3.45Å; F293-Y370 VanDerWaalsContact O-CA 3.23Å; F293-Y370 WeakPolarHBondContact O-CA 3.47Å; Y370-D372 WeakPolarHBondContact CE2-OD2 3.35Å; Y370-Q382 HydrophobicContact CE2-CG 4.18Å; Y370-Q382 PolarHBondContact OH-NE2 2.79Å; Y370-F383 WeakPolarHBondContact O-CA 3.46Å; Y370-F383 WeakPolarHBondContact O-CB 3.42Å; Y370-A384 HydrophobicContact CD1-CB 3.86Å; Y370-A384 HydrophobicContact CE1-CB 3.38Å; Y370-A384 PolarHBondContact N-O 2.98Å; Y370-A384 VanDerWaalsContact N-O 3.08Å; Y370-A384 PolarHBondContact O-N 3.44Å |
| 371 | L | 98.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 5% | 0.047 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 123.8 | 174.9 | -51.8 | 173 | 0 | 0 | 0 | 107.8 | A251 F254 F266 A277 F293 V373 T380 F383 | A251-L371 HydrophobicContact CB-CD1 4.21Å; F254-L371 HydrophobicContact CE2-CD1 4.07Å; F254-L371 HydrophobicContact CZ-CD1 3.87Å; F266-L371 HydrophobicContact CD1-CD1 4.44Å; F266-L371 HydrophobicContact CE1-CD1 3.99Å; F266-L371 HydrophobicContact CZ-CD1 4.37Å; A277-L371 HydrophobicContact CB-CD1 4.46Å; F293-L371 HydrophobicContact CB-CB 4.48Å; F293-L371 PolarHBondContact N-O 3.06Å; F293-L371 PolarHBondContact O-N 3.44Å; L371-V373 HydrophobicContact CB-CG2 4.12Å; L371-T380 HydrophobicContact CB-CG2 4.31Å; L371-T380 HydrophobicContact CD2-CG2 4.32Å; L371-F383 HydrophobicContact CD2-CB 3.71Å |
| 372 | D | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 103.9 | 172.5 | -66.5 | -23.5 | 0 | 0 | 0 | 108.3 | V290 R292 Y370 L381 Q382 | V290-D372 HydrophobicContact CB-CB 4.38Å; V290-D372 HydrophobicContact CG2-CB 3.87Å; R292-D372 WeakPolarHBondContact CB-OD1 3.32Å; R292-D372 IonicContact CZ-OD1 2.73Å; R292-D372 IonicContact CZ-OD2 3.97Å; R292-D372 IonicContact NE-OD1 2.9Å; R292-D372 PolarHBondContact NE-OD1 3.41Å; R292-D372 IonicContact NE-OD2 2.83Å; R292-D372 IonicContact NH2-OD1 3.46Å; R292-D372 PolarHBondContact NH2-OD1 2.78Å; R292-D372 IonicContact NH2-OD2 2.58Å; R292-D372 PolarHBondContact NH2-OD2 3.01Å; Y370-D372 WeakPolarHBondContact CE2-OD2 3.35Å; D372-L381 PolarHBondContact O-N 3.11Å; D372-Q382 HydrophobicContact CB-CB 4.08Å; D372-Q382 PolarHBondContact N-O 2.8Å; D372-Q382 PolarHBondContact O-N 3.47Å |
| 373 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.8 | -171.1 | -177.7 | 0 | 0 | 0 | 0 | 109.8 | F254 V258 L264 V290 Y291 F293 L371 F379 | F254-V373 HydrophobicContact CD2-CG1 4.13Å; F254-V373 HydrophobicContact CD2-CG2 3.97Å; F254-V373 HydrophobicContact CE2-CG2 3.9Å; V258-V373 HydrophobicContact CG2-CG1 4.34Å; L264-V373 HydrophobicContact CD1-CG2 4.06Å; V290-V373 WeakPolarHBondContact CA-O 3.38Å; Y291-V373 PolarHBondContact N-O 3.49Å; Y291-V373 PolarHBondContact O-N 3.35Å; F293-V373 HydrophobicContact CD2-CB 4.21Å; F293-V373 HydrophobicContact CD2-CG2 4.09Å; F293-V373 HydrophobicContact CE2-CB 4.37Å; L371-V373 HydrophobicContact CB-CG2 4.12Å; V373-F379 WeakPolarHBondContact CA-O 3.38Å |
| 374 | E | 95.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | trans | -75.6 | 121.3 | 173.1 | -166.4 | -75.3 | 128.4 | 0 | 0 | 109.5 | I288 V290 I376 T377 G378 F379 L381 F430 | I288-E374 HydrophobicContact CG2-CG 3.84Å; V290-E374 HydrophobicContact CG1-CB 4.14Å; E374-I376 PolarHBondContact O-N 2.96Å; E374-I376 VanDerWaalsContact OE1-CB 3.27Å; E374-I376 WeakPolarHBondContact OE1-CB 3.38Å; E374-I376 WeakPolarHBondContact OE1-CG1 3.04Å; E374-I376 PolarHBondContact OE1-N 2.85Å; E374-I376 PolarHBondContact OE2-N 2.86Å; E374-T377 VanDerWaalsContact OE2-CB 3.24Å; E374-T377 WeakPolarHBondContact OE2-CB 3.21Å; E374-T377 VanDerWaalsContact OE2-CG2 3.32Å; E374-T377 WeakPolarHBondContact OE2-CG2 3.33Å; E374-T377 PolarHBondContact OE2-N 3.33Å; E374-T377 PolarHBondContact OE2-OG1 2.92Å; E374-G378 VanDerWaalsContact O-CA 3.23Å; E374-G378 WeakPolarHBondContact O-CA 3.19Å; E374-G378 PolarHBondContact O-N 3.35Å; E374-F379 PolarHBondContact N-O 2.81Å; E374-L381 HydrophobicContact CB-CD1 3.81Å; E374-L381 HydrophobicContact CB-CG 4.05Å; E374-L381 HydrophobicContact CG-CD1 4.27Å; E374-F430 HydrophobicContact CB-CZ 4.32Å; E374-F430 HydrophobicContact CG-CE1 3.9Å; E374-F430 HydrophobicContact CG-CZ 3.74Å | ||
| 375 | P | 95.7 | Very high | 96.6 | Very high | 18 Ų | 18 | 24.3 Ų | 24.3 | 12% | 0.117 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -29.8 | -164.5 | 26 | -35.1 | 0 | 0 | 0 | 114.4 | F257 V258 P289 Y291 | F257-P375 CarbonylContact C-O 3.57Å; F257-P375 WeakPolarHBondContact CA-O 3.11Å; F257-P375 PolarHBondContact N-O 3.06Å; F257-P375 VanDerWaalsContact N-O 3.08Å; V258-P375 PolarHBondContact N-O 3Å; P289-P375 WeakPolarHBondContact O-CD 3.47Å; Y291-P375 HydrophobicContact CD2-CB 3.83Å; Y291-P375 HydrophobicContact CD2-CG 4.5Å; Y291-P375 HydrophobicContact CE1-CG 4.4Å; Y291-P375 HydrophobicContact CE2-CB 3.59Å; Y291-P375 HydrophobicContact CE2-CG 4.25Å; Y291-P375 HydrophobicContact CG-CB 4.42Å |
| 376 | I | 92.9 | Very high | 96.9 | Very high | 50 Ų | 50 | 21 Ų | 21 | 26% | 0.256 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -49.9 | -175.4 | -62.6 | 165.9 | 0 | 0 | 0 | 110.1 | I38 P256 F257 E374 I438 | I38-I376 HydrophobicContact CD1-CG2 3.93Å; I38-I376 HydrophobicContact CG1-CG2 3.78Å; I38-I376 HydrophobicContact CG2-CG2 4.14Å; P256-I376 WeakPolarHBondContact CA-O 3.17Å; P256-I376 WeakPolarHBondContact CB-O 3.49Å; F257-I376 HydrophobicContact CE1-CG2 4.26Å; F257-I376 PolarHBondContact N-O 2.89Å; E374-I376 PolarHBondContact O-N 2.96Å; E374-I376 VanDerWaalsContact OE1-CB 3.27Å; E374-I376 WeakPolarHBondContact OE1-CB 3.38Å; E374-I376 WeakPolarHBondContact OE1-CG1 3.04Å; E374-I376 PolarHBondContact OE1-N 2.85Å; E374-I376 PolarHBondContact OE2-N 2.86Å; I376-I438 HydrophobicContact CD1-CD1 3.89Å; I376-I438 HydrophobicContact CG2-CD1 4.28Å |
| 377 | T | 93.3 | Very high | 96.9 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.018 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -27.3 | -178.2 | 61.3 | 0 | 0 | 0 | 0 | 113.3 | I38 V42 E374 F379 F430 V434 | I38-T377 HydrophobicContact CD1-CG2 4.44Å; V42-T377 HydrophobicContact CG1-CG2 4.42Å; E374-T377 VanDerWaalsContact OE2-CB 3.24Å; E374-T377 WeakPolarHBondContact OE2-CB 3.21Å; E374-T377 VanDerWaalsContact OE2-CG2 3.32Å; E374-T377 WeakPolarHBondContact OE2-CG2 3.33Å; E374-T377 PolarHBondContact OE2-N 3.33Å; E374-T377 PolarHBondContact OE2-OG1 2.92Å; T377-F379 VanDerWaalsContact C-N 3.32Å; T377-F379 HydrophobicContact CG2-CD2 4.39Å; T377-F379 HydrophobicContact CG2-CE2 4.28Å; T377-F379 WeakPolarHBondContact OG1-CD2 3.41Å; T377-F379 WeakPolarHBondContact OG1-CG 3.15Å; T377-F379 PolarHBondContact OG1-N 2.89Å; T377-F430 HydrophobicContact CG2-CE2 4.15Å; T377-F430 HydrophobicContact CG2-CZ 4.03Å; T377-V434 HydrophobicContact CG2-CG1 3.97Å |
| 378 | G | 95.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | 78.8 | 9.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | S253 F254 E374 | S253-G378 CarbonylContact C-O 3.54Å; S253-G378 WeakPolarHBondContact CA-O 3.36Å; F254-G378 PolarHBondContact N-O 2.89Å; E374-G378 VanDerWaalsContact O-CA 3.23Å; E374-G378 WeakPolarHBondContact O-CA 3.19Å; E374-G378 PolarHBondContact O-N 3.35Å | ||
| 379 | F | 95.4 | Very high | 97 | Very high | 29 Ų | 29 | 16.9 Ų | 16.9 | 13% | 0.127 | 8% | 0.082 | C | C | . | . | B | Isolated β-bridge | trans | -77.1 | 137 | 180 | -61 | -18 | 0 | 0 | 0 | 112.2 | V42 A50 V373 E374 T377 L381 F430 | V42-F379 HydrophobicContact CG1-CE1 4.25Å; V42-F379 HydrophobicContact CG1-CZ 4.01Å; A50-F379 HydrophobicContact CB-CE1 4.03Å; A50-F379 HydrophobicContact CB-CZ 3.76Å; V373-F379 WeakPolarHBondContact CA-O 3.38Å; E374-F379 PolarHBondContact N-O 2.81Å; T377-F379 VanDerWaalsContact C-N 3.32Å; T377-F379 HydrophobicContact CG2-CD2 4.39Å; T377-F379 HydrophobicContact CG2-CE2 4.28Å; T377-F379 WeakPolarHBondContact OG1-CD2 3.41Å; T377-F379 WeakPolarHBondContact OG1-CG 3.15Å; T377-F379 PolarHBondContact OG1-N 2.89Å; F379-L381 HydrophobicContact CB-CD2 3.96Å; F379-L381 PolarHBondContact O-N 3.23Å; F379-F430 HydrophobicContact CD2-CE2 4Å; F379-F430 HydrophobicContact CE2-CE2 4.49Å |
| 380 | T | 96.8 | Very high | 97 | Very high | 23 Ų | 23 | 16.3 Ų | 16.3 | 14% | 0.141 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 109.6 | 171.4 | -56.9 | 0 | 0 | 0 | 0 | 109 | A251 A252 L371 F383 | A251-T380 PolarHBondContact O-OG1 2.91Å; A252-T380 WeakPolarHBondContact O-CB 3.43Å; A252-T380 PolarHBondContact O-N 2.81Å; A252-T380 VanDerWaalsContact O-N 3.13Å; A252-T380 PolarHBondContact O-OG1 2.95Å; L371-T380 HydrophobicContact CB-CG2 4.31Å; L371-T380 HydrophobicContact CD2-CG2 4.32Å; T380-F383 HydrophobicContact CG2-CB 4.07Å; T380-F383 HydrophobicContact CG2-CD1 4.41Å |
| 381 | L | 95.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 15.5 Ų | 15.5 | 6% | 0.063 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -26.4 | -174.7 | -58.9 | -168.6 | 0 | 0 | 0 | 113.2 | L285 I288 V290 D372 E374 F379 I422 F430 | L285-L381 HydrophobicContact CD2-CB 3.71Å; I288-L381 HydrophobicContact CB-CD1 4.5Å; I288-L381 HydrophobicContact CD1-CD1 4.11Å; I288-L381 HydrophobicContact CG2-CD1 3.87Å; V290-L381 HydrophobicContact CG1-CD1 3.98Å; D372-L381 PolarHBondContact O-N 3.11Å; E374-L381 HydrophobicContact CB-CD1 3.81Å; E374-L381 HydrophobicContact CB-CG 4.05Å; E374-L381 HydrophobicContact CG-CD1 4.27Å; F379-L381 HydrophobicContact CB-CD2 3.96Å; F379-L381 PolarHBondContact O-N 3.23Å; L381-I422 HydrophobicContact CB-CG2 4.31Å; L381-I422 HydrophobicContact CD2-CD1 4.34Å; L381-I422 PolarHBondContact O-N 3.49Å; L381-F430 HydrophobicContact CD1-CE1 4.49Å |
| 382 | Q | 97.1 | Very high | 97.1 | Very high | 39 Ų | 39 | 15.1 Ų | 15.1 | 18% | 0.182 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 147.8 | 170.6 | 173.9 | 173.5 | -9.6 | 0 | 0 | 109.8 | L285 Y370 D372 G420 T421 | L285-Q382 HydrophobicContact CD2-CB 3.65Å; Y370-Q382 HydrophobicContact CE2-CG 4.18Å; Y370-Q382 PolarHBondContact OH-NE2 2.79Å; D372-Q382 HydrophobicContact CB-CB 4.08Å; D372-Q382 PolarHBondContact N-O 2.8Å; D372-Q382 PolarHBondContact O-N 3.47Å; Q382-G420 VanDerWaalsContact CA-O 3.28Å; Q382-G420 WeakPolarHBondContact CA-O 3.27Å; Q382-T421 PolarHBondContact OE1-OG1 2.91Å |
| 383 | F | 97.8 | Very high | 97 | Very high | 37 Ų | 37 | 15.2 Ų | 15.2 | 16% | 0.162 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 159.3 | 171.7 | 69.4 | -79.9 | 0 | 0 | 0 | 111.6 | V61 Y370 L371 T380 K385 E418 T419 G420 | V61-F383 HydrophobicContact CG1-CZ 3.88Å; V61-F383 HydrophobicContact CG2-CE1 4.39Å; V61-F383 HydrophobicContact CG2-CZ 4.32Å; Y370-F383 WeakPolarHBondContact O-CA 3.46Å; Y370-F383 WeakPolarHBondContact O-CB 3.42Å; L371-F383 HydrophobicContact CD2-CB 3.71Å; T380-F383 HydrophobicContact CG2-CB 4.07Å; T380-F383 HydrophobicContact CG2-CD1 4.41Å; F383-K385 HydrophobicContact CD2-CB 4.16Å; F383-K385 HydrophobicContact CE2-CB 4.3Å; F383-E418 WeakPolarHBondContact CD2-O 3.36Å; F383-E418 HydrophobicContact CE2-CG 4.01Å; F383-E418 VanDerWaalsContact CE2-O 3.23Å; F383-E418 WeakPolarHBondContact CE2-O 3.23Å; F383-E418 HydrophobicContact CZ-CG 4.34Å; F383-T419 VanDerWaalsContact O-CA 3.28Å; F383-T419 WeakPolarHBondContact O-CA 3.33Å; F383-T419 WeakPolarHBondContact O-CB 3.29Å; F383-T419 PolarHBondContact O-OG1 2.93Å; F383-G420 PolarHBondContact N-O 3.43Å; F383-G420 PolarHBondContact O-N 2.92Å |
| 384 | A | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 106 | 163 | 0 | 0 | 0 | 0 | 0 | 108.2 | T369 Y370 R386 | T369-A384 VanDerWaalsContact CA-O 3.24Å; T369-A384 WeakPolarHBondContact CA-O 3.2Å; T369-A384 WeakPolarHBondContact CG2-O 3.25Å; Y370-A384 HydrophobicContact CD1-CB 3.86Å; Y370-A384 HydrophobicContact CE1-CB 3.38Å; Y370-A384 PolarHBondContact N-O 2.98Å; Y370-A384 VanDerWaalsContact N-O 3.08Å; Y370-A384 PolarHBondContact O-N 3.44Å; A384-R386 HydrophobicContact CB-CG 4.43Å |
| 385 | K | 98 | Very high | 97 | Very high | 34 Ų | 34 | 21.1 Ų | 21.1 | 15% | 0.148 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 109.3 | 172.9 | 175.9 | -175.7 | -174.8 | 171.8 | 0 | 108.5 | S268 D270 F383 E418 | S268-K385 PolarHBondContact OG-NZ 3.11Å; D270-K385 IonicContact OD2-NZ 3.26Å; D270-K385 PolarHBondContact OD2-NZ 2.82Å; F383-K385 HydrophobicContact CD2-CB 4.16Å; F383-K385 HydrophobicContact CE2-CB 4.3Å; K385-E418 HydrophobicContact CB-CB 4.24Å; K385-E418 PolarHBondContact N-O 2.75Å; K385-E418 PolarHBondContact O-N 3.36Å |
| 386 | R | 98.4 | Very high | 96.9 | Very high | 33 Ų | 33 | 20.7 Ų | 20.7 | 13% | 0.125 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 122 | -176.6 | -53.3 | -171 | -171.4 | 140.1 | -22.7 | 110.7 | P344 D365 E366 R368 T369 A384 L416 N417 | P344-R386 HydrophobicContact CG-CB 3.89Å; D365-R386 PolarHBondContact O-NH1 3.41Å; D365-R386 PolarHBondContact O-NH2 3.35Å; E366-R386 WeakPolarHBondContact O-CD 3.37Å; E366-R386 PolarHBondContact O-NE 2.89Å; E366-R386 VanDerWaalsContact O-NE 3.13Å; E366-R386 PolarHBondContact O-NH1 3.37Å; R368-R386 VanDerWaalsContact O-CD 3.24Å; R368-R386 WeakPolarHBondContact O-CD 3.36Å; R368-R386 PolarHBondContact O-NH1 3.35Å; T369-R386 PolarHBondContact OG1-N 2.98Å; T369-R386 PolarHBondContact OG1-O 3.11Å; T369-R386 VanDerWaalsContact OG1-O 3.09Å; A384-R386 HydrophobicContact CB-CG 4.43Å; R386-L416 VanDerWaalsContact CA-O 3.28Å; R386-L416 WeakPolarHBondContact CA-O 3.37Å; R386-N417 HydrophobicContact CG-CB 4.38Å |
| 387 | L | 97.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 8% | 0.079 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 156.8 | 179.3 | 67.8 | 85.8 | 0 | 0 | 0 | 110.8 | I271 I341 V389 W415 L416 | I271-L387 HydrophobicContact CG2-CD2 4.26Å; I341-L387 HydrophobicContact CG2-CB 4.34Å; L387-V389 HydrophobicContact CD1-CG2 3.91Å; L387-W415 CarbonylContact O-C 3.56Å; L387-W415 VanDerWaalsContact O-CA 3.31Å; L387-W415 WeakPolarHBondContact O-CA 3.37Å; L387-L416 HydrophobicContact CD1-CD1 4.45Å; L387-L416 HydrophobicContact CD1-CD2 3.63Å; L387-L416 HydrophobicContact CD1-CG 3.87Å; L387-L416 HydrophobicContact CD2-CD1 4.31Å; L387-L416 HydrophobicContact CG-CD1 3.9Å; L387-L416 HydrophobicContact CG-CD2 4.01Å; L387-L416 HydrophobicContact CG-CG 3.81Å; L387-L416 PolarHBondContact N-O 2.69Å; L387-L416 PolarHBondContact O-N 3.02Å |
| 388 | Q | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.4 | 177.3 | 179.7 | 173.3 | -70.1 | 0 | 0 | 110 | F68 I341 S342 F346 N390 P412 L414 W415 | F68-Q388 HydrophobicContact CE2-CG 4.24Å; F68-Q388 VanDerWaalsContact CE2-OE1 3.26Å; I341-Q388 WeakPolarHBondContact CA-O 3.46Å; S342-Q388 PolarHBondContact N-O 3.41Å; S342-Q388 PolarHBondContact O-N 3.06Å; S342-Q388 WeakPolarHBondContact OG-CB 3.23Å; S342-Q388 PolarHBondContact OG-NE2 3.49Å; F346-Q388 VanDerWaalsContact CE1-NE2 3.25Å; Q388-N390 WeakPolarHBondContact CG-OD1 3.38Å; Q388-N390 PolarHBondContact NE2-OD1 2.92Å; Q388-N390 PolarHBondContact O-ND2 2.9Å; Q388-P412 HydrophobicContact CG-CB 4.46Å; Q388-L414 WeakPolarHBondContact CA-O 3.23Å; Q388-L414 WeakPolarHBondContact CG-O 3.27Å; Q388-W415 HydrophobicContact CB-CB 3.88Å; Q388-W415 HydrophobicContact CG-CB 4.13Å |
| 389 | V | 98.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 35 Ų | 35 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 124.7 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | V200 V339 I341 L387 I413 L414 | V200-V389 HydrophobicContact CG1-CB 4.28Å; V200-V389 HydrophobicContact CG1-CG1 3.99Å; V200-V389 HydrophobicContact CG1-CG2 4.19Å; V339-V389 HydrophobicContact CG1-CG1 4.12Å; I341-V389 HydrophobicContact CD1-CG2 4.16Å; L387-V389 HydrophobicContact CD1-CG2 3.91Å; V389-I413 PolarHBondContact O-N 3.16Å; V389-L414 HydrophobicContact CB-CD1 4.18Å; V389-L414 HydrophobicContact CG2-CD1 3.99Å; V389-L414 PolarHBondContact N-O 2.66Å; V389-L414 PolarHBondContact O-N 3.04Å |
| 390 | N | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 156.5 | -179.5 | -43.2 | -84.6 | 0 | 0 | 0 | 109.8 | Y340 S342 F346 Q388 I410 V411 P412 | Y340-N390 PolarHBondContact N-O 3.38Å; Y340-N390 WeakPolarHBondContact O-CA 3.49Å; Y340-N390 WeakPolarHBondContact O-CB 3.46Å; Y340-N390 PolarHBondContact O-N 2.93Å; Y340-N390 PolarHBondContact O-ND2 3.49Å; S342-N390 PolarHBondContact OG-ND2 3.38Å; F346-N390 VanDerWaalsContact CE1-OD1 3.23Å; F346-N390 WeakPolarHBondContact CE1-OD1 3.47Å; F346-N390 VanDerWaalsContact CZ-OD1 3.26Å; F346-N390 WeakPolarHBondContact CZ-OD1 3.43Å; Q388-N390 WeakPolarHBondContact CG-OD1 3.38Å; Q388-N390 PolarHBondContact NE2-OD1 2.92Å; Q388-N390 PolarHBondContact O-ND2 2.9Å; N390-I410 HydrophobicContact CB-CG2 3.55Å; N390-V411 CarbonylContact C-O 3.57Å; N390-V411 VanDerWaalsContact CA-O 3.25Å; N390-V411 WeakPolarHBondContact CA-O 3.24Å; N390-P412 VanDerWaalsContact OD1-CA 3.28Å; N390-P412 WeakPolarHBondContact OD1-CA 3.4Å; N390-P412 WeakPolarHBondContact OD1-CB 3.22Å |
| 391 | I | 98.6 | Very high | 97 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.4 | 172.4 | -166.9 | 164.6 | 0 | 0 | 0 | 110.4 | P138 L140 A143 P338 V393 V411 I413 | P138-I391 HydrophobicContact CB-CG2 3.9Å; P138-I391 HydrophobicContact CG-CG2 4.13Å; L140-I391 HydrophobicContact CD2-CD1 4.09Å; A143-I391 HydrophobicContact CB-CD1 3.56Å; A143-I391 HydrophobicContact CB-CG1 4.02Å; P338-I391 HydrophobicContact CG-CG1 4.04Å; P338-I391 WeakPolarHBondContact O-CA 3.38Å; I391-V393 HydrophobicContact CG2-CG2 4.38Å; I391-V411 HydrophobicContact CG2-CB 4.32Å; I391-V411 PolarHBondContact N-O 3.35Å; I391-V411 PolarHBondContact O-N 3.18Å; I391-I413 HydrophobicContact CB-CD1 3.8Å; I391-I413 HydrophobicContact CB-CG1 4.48Å; I391-I413 HydrophobicContact CG2-CD1 3.76Å; I391-I413 HydrophobicContact CG2-CG1 3.99Å |
| 392 | L | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.6 | 175.8 | 165.5 | 70.1 | 0 | 0 | 0 | 110.3 | I318 P338 Y340 K394 P408 Y409 I410 | I318-L392 HydrophobicContact CD1-CD1 4.14Å; I318-L392 HydrophobicContact CD1-CD2 4.33Å; I318-L392 HydrophobicContact CG1-CD2 3.94Å; I318-L392 HydrophobicContact CG2-CD1 4.23Å; I318-L392 HydrophobicContact CG2-CD2 4.29Å; P338-L392 HydrophobicContact CB-CB 4.04Å; P338-L392 WeakPolarHBondContact CG-O 3.5Å; P338-L392 PolarHBondContact O-N 2.94Å; Y340-L392 HydrophobicContact CD2-CB 3.83Å; Y340-L392 HydrophobicContact CE2-CB 3.69Å; Y340-L392 HydrophobicContact CE2-CD2 3.66Å; Y340-L392 HydrophobicContact CE2-CG 4.34Å; L392-K394 HydrophobicContact CD1-CG 4.2Å; L392-K394 HydrophobicContact CD2-CG 4.47Å; L392-K394 HydrophobicContact CG-CG 4.15Å; L392-P408 HydrophobicContact CD1-CB 3.94Å; L392-Y409 CarbonylContact C-O 3.56Å; L392-Y409 VanDerWaalsContact CA-O 3.32Å; L392-Y409 WeakPolarHBondContact CA-O 3.24Å; L392-I410 HydrophobicContact CD1-CG1 4.26Å |
| 393 | V | 98 | Very high | 97.1 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.7 | 175 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | A143 M169 I391 L402 L405 P408 Y409 V411 | A143-V393 HydrophobicContact CB-CG2 3.86Å; M169-V393 HydrophobicContact CE-CG1 4.16Å; I391-V393 HydrophobicContact CG2-CG2 4.38Å; V393-L402 HydrophobicContact CG1-CD2 3.72Å; V393-L405 HydrophobicContact CG1-CD1 3.83Å; V393-P408 CarbonylContact O-C 3.58Å; V393-P408 VanDerWaalsContact O-CA 3.29Å; V393-P408 WeakPolarHBondContact O-CA 3.5Å; V393-Y409 PolarHBondContact N-O 3.05Å; V393-Y409 PolarHBondContact O-N 2.86Å; V393-V411 HydrophobicContact CB-CG2 4.46Å; V393-V411 HydrophobicContact CG2-CG2 3.88Å |
| 394 | K | 96.1 | Very high | 97 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | trans | -113.1 | 152.9 | -178.6 | -60.1 | -174 | -176.2 | -174.1 | 0 | 111.2 | I318 L392 A396 P408 | I318-K394 HydrophobicContact CD1-CD 4.49Å; L392-K394 HydrophobicContact CD1-CG 4.2Å; L392-K394 HydrophobicContact CD2-CG 4.47Å; L392-K394 HydrophobicContact CG-CG 4.15Å; K394-A396 PolarHBondContact O-N 3.48Å; K394-P408 HydrophobicContact CG-CB 4.35Å | ||
| 395 | P | 96.3 | Very high | 97 | Very high | 58 Ų | 58 | 44 Ų | 44 | 38% | 0.377 | 20% | 0.2 | S | C | . | . | trans | -55.3 | 132 | 166.2 | -24.4 | 34.5 | 0 | 0 | 0 | 112 | L405 | P395-L405 HydrophobicContact CB-CB 4.13Å; P395-L405 VanDerWaalsContact CB-O 3.32Å; P395-L405 WeakPolarHBondContact CB-O 2.86Å; P395-L405 HydrophobicContact CG-CB 3.88Å; P395-L405 WeakPolarHBondContact CG-O 3.38Å | ||
| 396 | A | 95.2 | Very high | 96.9 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | trans | -132.9 | 101.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | K394 K398 I399 L402 | K394-A396 PolarHBondContact O-N 3.48Å; A396-K398 PolarHBondContact O-N 2.89Å; A396-K398 VanDerWaalsContact O-N 3.13Å; A396-I399 HydrophobicContact CB-CB 4.02Å; A396-I399 HydrophobicContact CB-CD1 4.23Å; A396-I399 HydrophobicContact CB-CG1 4.25Å; A396-I399 PolarHBondContact O-N 3.33Å; A396-I399 VanDerWaalsContact O-O 3.11Å; A396-L402 HydrophobicContact CB-CB 4.04Å; A396-L402 HydrophobicContact CB-CD1 4.25Å; A396-L402 PolarHBondContact N-O 2.91Å | ||
| 397 | R | 92.8 | Very high | 96.8 | Very high | 228 Ų | 228 | 52.7 Ų | 52.7 | 86% | 0.86 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -32.1 | -171.9 | -70 | -175.9 | 178.8 | 171.8 | -0.1 | 114.1 | R403 | R397-R403 WeakPolarHBondContact O-CD 3.34Š|
| 398 | K | 95.1 | Very high | 96.7 | Very high | 126 Ų | 126 | 54.7 Ų | 54.7 | 55% | 0.548 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -10.4 | -178.3 | -65.8 | -64.1 | -174.6 | 178.1 | 0 | 113.6 | Q155 N159 A396 | Q155-K398 HydrophobicContact CB-CB 3.93Å; N159-K398 VanDerWaalsContact CB-O 3.23Å; N159-K398 WeakPolarHBondContact CB-O 3.15Å; N159-K398 PolarHBondContact OD1-O 3.5Å; A396-K398 PolarHBondContact O-N 2.89Å; A396-K398 VanDerWaalsContact O-N 3.13Å |
| 399 | I | 96.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -110.1 | 107.7 | -176.6 | -60.1 | -176.9 | 0 | 0 | 0 | 108.4 | P146 Q155 N159 I162 A396 A401 L402 R403 | P146-I399 HydrophobicContact CB-CD1 3.42Å; P146-I399 VanDerWaalsContact CB-CD1 3.42Å; P146-I399 HydrophobicContact CG-CD1 3.17Å; Q155-I399 HydrophobicContact CB-CD1 4.47Å; Q155-I399 HydrophobicContact CB-CG1 4.37Å; Q155-I399 HydrophobicContact CG-CD1 4.45Å; N159-I399 HydrophobicContact CB-CG1 4.36Å; N159-I399 WeakPolarHBondContact OD1-CA 3.44Å; I162-I399 HydrophobicContact CD1-CG2 3.84Å; A396-I399 HydrophobicContact CB-CB 4.02Å; A396-I399 HydrophobicContact CB-CD1 4.23Å; A396-I399 HydrophobicContact CB-CG1 4.25Å; A396-I399 PolarHBondContact O-N 3.33Å; A396-I399 VanDerWaalsContact O-O 3.11Å; I399-A401 HydrophobicContact CG2-CB 4.32Å; I399-A401 PolarHBondContact O-N 3.42Å; I399-L402 HydrophobicContact CG2-CB 4.42Å; I399-L402 HydrophobicContact CG2-CD1 4.4Å; I399-L402 HydrophobicContact CG2-CG 4.23Å; I399-L402 CarbonylContact O-C 3.5Å; I399-L402 PolarHBondContact O-N 2.74Å; I399-R403 WeakPolarHBondContact O-CB 3.47Å; I399-R403 PolarHBondContact O-N 3.42Å | ||
| 400 | E | 96.1 | Very high | 96.7 | Very high | 87 Ų | 87 | 55 Ų | 55 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -53.5 | -41.1 | -173 | -170.2 | 174.3 | 161.2 | 0 | 0 | 112.2 | N159 K163 L402 R403 | N159-E400 WeakPolarHBondContact OD1-CB 3.23Å; N159-E400 PolarHBondContact OD1-N 3.45Å; K163-E400 WeakPolarHBondContact CD-OE2 3.46Å; K163-E400 WeakPolarHBondContact CE-OE2 3.49Å; K163-E400 IonicContact NZ-OE2 3.98Å; K163-E400 PolarHBondContact NZ-OE2 3.05Å; E400-L402 PolarHBondContact O-N 3.49Å; E400-R403 PolarHBondContact O-N 2.99Å |
| 401 | A | 95.6 | Very high | 96.7 | Very high | 22 Ų | 22 | 55 Ų | 55 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -61.2 | -23.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | V142 I162 I399 | V142-A401 HydrophobicContact CG1-CB 4.25Å; I162-A401 HydrophobicContact CG2-CB 4.33Å; I399-A401 HydrophobicContact CG2-CB 4.32Å; I399-A401 PolarHBondContact O-N 3.42Å |
| 402 | L | 97.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -121.2 | 1.2 | -175.6 | -58 | -179.7 | 0 | 0 | 0 | 113 | V142 P146 M169 V393 A396 I399 E400 N404 L405 | V142-L402 HydrophobicContact CG1-CD1 4.36Å; V142-L402 HydrophobicContact CG1-CD2 4.34Å; V142-L402 HydrophobicContact CG1-CG 4.28Å; P146-L402 HydrophobicContact CG-CD1 4.11Å; M169-L402 HydrophobicContact CB-CD2 4.11Å; M169-L402 HydrophobicContact CG-CD2 3.87Å; M169-L402 HydrophobicContact SD-CD2 4.37Å; V393-L402 HydrophobicContact CG1-CD2 3.72Å; A396-L402 HydrophobicContact CB-CB 4.04Å; A396-L402 HydrophobicContact CB-CD1 4.25Å; A396-L402 PolarHBondContact N-O 2.91Å; I399-L402 HydrophobicContact CG2-CB 4.42Å; I399-L402 HydrophobicContact CG2-CD1 4.4Å; I399-L402 HydrophobicContact CG2-CG 4.23Å; I399-L402 CarbonylContact O-C 3.5Å; I399-L402 PolarHBondContact O-N 2.74Å; E400-L402 PolarHBondContact O-N 3.49Å; L402-N404 VanDerWaalsContact C-N 3.35Å; L402-N404 PolarHBondContact O-N 3.45Å; L402-L405 HydrophobicContact CB-CD1 4.34Å; L402-L405 HydrophobicContact CD2-CD1 4.03Å; L402-L405 PolarHBondContact O-N 2.87Å |
| 403 | R | 96.1 | Very high | 96.7 | Very high | 136 Ų | 136 | 54.8 Ų | 54.8 | 51% | 0.513 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -31.8 | -170.1 | -179 | 174.9 | 65.7 | -173.1 | -2.3 | 113.2 | R397 I399 E400 L405 | R397-R403 WeakPolarHBondContact O-CD 3.34Å; I399-R403 WeakPolarHBondContact O-CB 3.47Å; I399-R403 PolarHBondContact O-N 3.42Å; E400-R403 PolarHBondContact O-N 2.99Å; R403-L405 VanDerWaalsContact C-N 3.34Å |
| 404 | N | 96.9 | Very high | 96.7 | Very high | 73 Ų | 73 | 54.7 Ų | 54.7 | 39% | 0.39 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -4.4 | -175.2 | -58.2 | -28.1 | 0 | 0 | 0 | 113.2 | A77 K78 L402 K406 | A77-N404 WeakPolarHBondContact O-CB 3.36Å; K78-N404 WeakPolarHBondContact O-CB 3.44Å; L402-N404 VanDerWaalsContact C-N 3.35Å; L402-N404 PolarHBondContact O-N 3.45Å; N404-K406 PolarHBondContact O-N 3.3Å |
| 405 | L | 97.4 | Very high | 96.8 | Very high | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | trans | -64.7 | 130.3 | 174.9 | -61.6 | -178.9 | 0 | 0 | 0 | 109.8 | M169 V393 P395 L402 R403 Y409 | M169-L405 HydrophobicContact CE-CD1 4.1Å; M169-L405 HydrophobicContact CE-CD2 3.97Å; M169-L405 HydrophobicContact SD-CD1 4.21Å; M169-L405 HydrophobicContact SD-CD2 3.86Å; M169-L405 HydrophobicContact SD-CG 4.43Å; V393-L405 HydrophobicContact CG1-CD1 3.83Å; P395-L405 HydrophobicContact CB-CB 4.13Å; P395-L405 VanDerWaalsContact CB-O 3.32Å; P395-L405 WeakPolarHBondContact CB-O 2.86Å; P395-L405 HydrophobicContact CG-CB 3.88Å; P395-L405 WeakPolarHBondContact CG-O 3.38Å; L402-L405 HydrophobicContact CB-CD1 4.34Å; L402-L405 HydrophobicContact CD2-CD1 4.03Å; L402-L405 PolarHBondContact O-N 2.87Å; R403-L405 VanDerWaalsContact C-N 3.34Å; L405-Y409 HydrophobicContact CD2-CE2 4.05Å | ||
| 406 | K | 96.9 | Very high | 97 | Very high | 178 Ų | 178 | 49.1 Ų | 49.1 | 77% | 0.774 | 22% | 0.22 | S | C | * | . | trans | -97.5 | -15 | 179.7 | -62.4 | 178.4 | -178.6 | 174 | 0 | 112.7 | S80 N404 | S80-K406 PolarHBondContact OG-N 2.9Å; N404-K406 PolarHBondContact O-N 3.3Å | ||
| 407 | R | 95.1 | Very high | 97.1 | Very high | 72 Ų | 72 | 49.6 Ų | 49.6 | 27% | 0.272 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -147.2 | 157.8 | -178.5 | 62.8 | -179.7 | 171.4 | -174.3 | -2.1 | 111.1 | Y409 | R407-Y409 HydrophobicContact CG-CD2 4.43Å; R407-Y409 HydrophobicContact CG-CE1 4.37Å; R407-Y409 HydrophobicContact CG-CE2 3.72Å; R407-Y409 PolarHBondContact NE-OH 3.1Å; R407-Y409 WeakPolarHBondContact O-CD2 3.25Å; R407-Y409 VanDerWaalsContact O-CE2 3.31Å; R407-Y409 WeakPolarHBondContact O-CE2 3.39Å |
| 408 | P | 96.5 | Very high | 97.4 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 37% | 0.37 | 18% | 0.181 | S | C | . | . | trans | -69.2 | 154 | 167 | 30.5 | -34.7 | 0 | 0 | 0 | 111.4 | I318 L392 V393 K394 | I318-P408 HydrophobicContact CD1-CB 3.78Å; I318-P408 HydrophobicContact CD1-CG 3.81Å; L392-P408 HydrophobicContact CD1-CB 3.94Å; V393-P408 CarbonylContact O-C 3.58Å; V393-P408 VanDerWaalsContact O-CA 3.29Å; V393-P408 WeakPolarHBondContact O-CA 3.5Å; K394-P408 HydrophobicContact CG-CB 4.35Å | ||
| 409 | Y | 98 | Very high | 97.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 130 | 173.6 | -65.5 | -96 | 0 | 0 | 0 | 109.8 | S80 S81 I83 P356 L392 V393 L405 R407 V411 | S80-Y409 VanDerWaalsContact C-OH 3.28Å; S80-Y409 PolarHBondContact O-OH 3.16Å; S80-Y409 PolarHBondContact OG-OH 3.23Å; S81-Y409 PolarHBondContact O-OH 2.99Å; I83-Y409 HydrophobicContact CD1-CD1 3.71Å; I83-Y409 HydrophobicContact CD1-CE1 4.36Å; I83-Y409 HydrophobicContact CD1-CG 4.08Å; I83-Y409 HydrophobicContact CG1-CD1 3.88Å; I83-Y409 HydrophobicContact CG1-CE1 4.07Å; P356-Y409 HydrophobicContact CB-CD1 3.7Å; P356-Y409 HydrophobicContact CB-CE1 3.8Å; L392-Y409 CarbonylContact C-O 3.56Å; L392-Y409 VanDerWaalsContact CA-O 3.32Å; L392-Y409 WeakPolarHBondContact CA-O 3.24Å; V393-Y409 PolarHBondContact N-O 3.05Å; V393-Y409 PolarHBondContact O-N 2.86Å; L405-Y409 HydrophobicContact CD2-CE2 4.05Å; R407-Y409 HydrophobicContact CG-CD2 4.43Å; R407-Y409 HydrophobicContact CG-CE1 4.37Å; R407-Y409 HydrophobicContact CG-CE2 3.72Å; R407-Y409 PolarHBondContact NE-OH 3.1Å; R407-Y409 WeakPolarHBondContact O-CD2 3.25Å; R407-Y409 VanDerWaalsContact O-CE2 3.31Å; R407-Y409 WeakPolarHBondContact O-CE2 3.39Å; Y409-V411 PolarHBondContact O-N 3.12Å |
| 410 | I | 98.5 | Very high | 97.5 | Very high | 19 Ų | 19 | 34.6 Ų | 34.6 | 10% | 0.097 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 93.6 | 161.3 | -61.7 | 174.8 | 0 | 0 | 0 | 105.8 | I318 V327 Y340 F346 V353 N390 L392 P412 | I318-I410 HydrophobicContact CG2-CD1 4.28Å; V327-I410 HydrophobicContact CG2-CD1 4.32Å; Y340-I410 HydrophobicContact CD1-CD1 4.04Å; Y340-I410 HydrophobicContact CE1-CD1 4.24Å; Y340-I410 HydrophobicContact CG-CG2 4.48Å; F346-I410 HydrophobicContact CE1-CG2 4.19Å; F346-I410 HydrophobicContact CZ-CG2 4.07Å; V353-I410 HydrophobicContact CG1-CD1 4.43Å; N390-I410 HydrophobicContact CB-CG2 3.55Å; L392-I410 HydrophobicContact CD1-CG1 4.26Å; I410-P412 WeakPolarHBondContact O-CD 3.39Å |
| 411 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 120.3 | -172 | -166.4 | 0 | 0 | 0 | 0 | 109.6 | I83 P138 N390 I391 V393 Y409 I413 | I83-V411 HydrophobicContact CD1-CB 4.27Å; I83-V411 HydrophobicContact CD1-CG1 3.75Å; I83-V411 HydrophobicContact CD1-CG2 3.62Å; P138-V411 HydrophobicContact CG-CB 3.85Å; P138-V411 HydrophobicContact CG-CG1 3.4Å; P138-V411 VanDerWaalsContact CG-CG1 3.4Å; P138-V411 HydrophobicContact CG-CG2 4.47Å; N390-V411 CarbonylContact C-O 3.57Å; N390-V411 VanDerWaalsContact CA-O 3.25Å; N390-V411 WeakPolarHBondContact CA-O 3.24Å; I391-V411 HydrophobicContact CG2-CB 4.32Å; I391-V411 PolarHBondContact N-O 3.35Å; I391-V411 PolarHBondContact O-N 3.18Å; V393-V411 HydrophobicContact CB-CG2 4.46Å; V393-V411 HydrophobicContact CG2-CG2 3.88Å; Y409-V411 PolarHBondContact O-N 3.12Å; V411-I413 PolarHBondContact O-N 2.95Å |
| 412 | P | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 129.3 | 175.9 | 31.9 | -35.8 | 0 | 0 | 0 | 109.9 | F68 F346 I357 Q388 N390 I410 | F68-P412 HydrophobicContact CD2-CB 3.61Å; F68-P412 HydrophobicContact CD2-CG 4.2Å; F68-P412 HydrophobicContact CE2-CB 3.85Å; F68-P412 HydrophobicContact CG-CB 4.16Å; F68-P412 HydrophobicContact CG-CG 4.25Å; F346-P412 HydrophobicContact CE2-CG 4.4Å; F346-P412 HydrophobicContact CZ-CB 4.3Å; I357-P412 HydrophobicContact CG2-CG 4.06Å; Q388-P412 HydrophobicContact CG-CB 4.46Å; N390-P412 VanDerWaalsContact OD1-CA 3.28Å; N390-P412 WeakPolarHBondContact OD1-CA 3.4Å; N390-P412 WeakPolarHBondContact OD1-CB 3.22Å; I410-P412 WeakPolarHBondContact O-CD 3.39Å |
| 413 | I | 98.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -54.2 | 178.4 | -62 | 166.3 | 0 | 0 | 0 | 109.1 | F68 L140 L178 V200 V389 I391 V411 | F68-I413 PolarHBondContact N-O 2.98Å; L140-I413 HydrophobicContact CD2-CD1 3.57Å; L140-I413 HydrophobicContact CD2-CG1 4.44Å; L178-I413 HydrophobicContact CD1-CG2 4.19Å; L178-I413 HydrophobicContact CD2-CG2 4.27Å; V200-I413 HydrophobicContact CG2-CG2 4.05Å; V389-I413 PolarHBondContact O-N 3.16Å; I391-I413 HydrophobicContact CB-CD1 3.8Å; I391-I413 HydrophobicContact CB-CG1 4.48Å; I391-I413 HydrophobicContact CG2-CD1 3.76Å; I391-I413 HydrophobicContact CG2-CG1 3.99Å; V411-I413 PolarHBondContact O-N 2.95Å |
| 414 | L | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 160.1 | -178.9 | 59.1 | 81.7 | 0 | 0 | 0 | 110.4 | F65 W66 I67 L179 V200 F201 Q388 V389 | F65-L414 HydrophobicContact CD1-CD1 4.24Å; W66-L414 CarbonylContact O-C 3.56Å; W66-L414 WeakPolarHBondContact O-CA 3.15Å; W66-L414 VanDerWaalsContact O-CB 3.27Å; W66-L414 WeakPolarHBondContact O-CB 3.45Å; I67-L414 HydrophobicContact CD1-CB 3.61Å; I67-L414 HydrophobicContact CD1-CD2 3.76Å; I67-L414 HydrophobicContact CD1-CG 4.37Å; L179-L414 HydrophobicContact CD2-CD2 3.5Å; L179-L414 VanDerWaalsContact CD2-CD2 3.5Å; V200-L414 HydrophobicContact CB-CD2 4.31Å; V200-L414 HydrophobicContact CG1-CD2 4.12Å; V200-L414 HydrophobicContact CG2-CD2 4.09Å; F201-L414 HydrophobicContact CE2-CD1 4.25Å; F201-L414 HydrophobicContact CE2-CD2 4.23Å; F201-L414 HydrophobicContact CZ-CD1 4.26Å; Q388-L414 WeakPolarHBondContact CA-O 3.23Å; Q388-L414 WeakPolarHBondContact CG-O 3.27Å; V389-L414 HydrophobicContact CB-CD1 4.18Å; V389-L414 HydrophobicContact CG2-CD1 3.99Å; V389-L414 PolarHBondContact N-O 2.66Å; V389-L414 PolarHBondContact O-N 3.04Å |
| 415 | W | 98.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 157.9 | 161.8 | 72.5 | -93.5 | 0 | 0 | 0 | 110.3 | W66 F68 P344 H345 L387 Q388 N417 | W66-W415 HydrophobicContact CB-CD2 4.12Å; W66-W415 HydrophobicContact CB-CG 4.19Å; W66-W415 HydrophobicContact CB-CZ2 4.08Å; W66-W415 VanDerWaalsContact CB-NE1 3.29Å; W66-W415 AromaticContact CD1-CZ2 3.99Å; W66-W415 HydrophobicContact CD2-CD2 4.27Å; W66-W415 AromaticContact CD2-CE2 3.64Å; W66-W415 AromaticContact CD2-CH2 3.59Å; W66-W415 HydrophobicContact CD2-CH2 3.59Å; W66-W415 AromaticContact CD2-CZ2 3.26Å; W66-W415 HydrophobicContact CD2-CZ2 3.26Å; W66-W415 HydrophobicContact CD2-CZ3 4.22Å; W66-W415 AromaticContact CE2-CH2 3.82Å; W66-W415 AromaticContact CE2-CZ2 3.62Å; W66-W415 AromaticContact CE3-CD2 3.91Å; W66-W415 HydrophobicContact CE3-CD2 3.91Å; W66-W415 AromaticContact CE3-CE2 3.74Å; W66-W415 AromaticContact CE3-CE3 3.79Å; W66-W415 HydrophobicContact CE3-CE3 3.79Å; W66-W415 AromaticContact CE3-CH2 3.33Å; W66-W415 HydrophobicContact CE3-CH2 3.33Å; W66-W415 AromaticContact CE3-CZ2 3.45Å; W66-W415 HydrophobicContact CE3-CZ2 3.45Å; W66-W415 VanDerWaalsContact CE3-CZ2 3.45Å; W66-W415 AromaticContact CE3-CZ3 3.52Å; W66-W415 HydrophobicContact CE3-CZ3 3.52Å; W66-W415 HydrophobicContact CG-CD2 4.39Å; W66-W415 AromaticContact CG-CE2 3.58Å; W66-W415 HydrophobicContact CG-CH2 4.35Å; W66-W415 AromaticContact CG-CZ2 3.56Å; W66-W415 HydrophobicContact CG-CZ2 3.56Å; W66-W415 AromaticContact CG-NE1 3.72Å; W66-W415 AromaticContact CH2-CH2 3.64Å; W66-W415 HydrophobicContact CH2-CH2 3.64Å; W66-W415 HydrophobicContact CH2-CZ2 4.29Å; W66-W415 HydrophobicContact CH2-CZ3 4.12Å; W66-W415 AromaticContact CZ2-CH2 3.86Å; W66-W415 HydrophobicContact CZ2-CH2 3.86Å; W66-W415 HydrophobicContact CZ2-CZ2 4.13Å; W66-W415 HydrophobicContact CZ3-CE3 4.13Å; W66-W415 AromaticContact CZ3-CH2 3.36Å; W66-W415 HydrophobicContact CZ3-CH2 3.36Å; W66-W415 AromaticContact CZ3-CZ2 3.97Å; W66-W415 HydrophobicContact CZ3-CZ2 3.97Å; W66-W415 AromaticContact CZ3-CZ3 3.46Å; W66-W415 HydrophobicContact CZ3-CZ3 3.46Å; W66-W415 VanDerWaalsContact CZ3-CZ3 3.46Å; W66-W415 PolarHBondContact N-O 2.91Å; W66-W415 PolarHBondContact O-N 2.95Å; F68-W415 HydrophobicContact CE2-CB 4.41Å; F68-W415 AromaticContact CE2-CD1 3.67Å; F68-W415 HydrophobicContact CE2-CG 4.44Å; F68-W415 AromaticContact CZ-CD1 3.59Å; P344-W415 HydrophobicContact CB-CB 3.89Å; P344-W415 HydrophobicContact CB-CD2 3.79Å; P344-W415 HydrophobicContact CB-CE3 3.92Å; P344-W415 HydrophobicContact CB-CG 3.8Å; P344-W415 HydrophobicContact CG-CB 4.14Å; P344-W415 HydrophobicContact CG-CD2 4.11Å; P344-W415 HydrophobicContact CG-CE3 3.74Å; P344-W415 HydrophobicContact CG-CG 4.32Å; P344-W415 HydrophobicContact CG-CZ3 4.43Å; H345-W415 AromaticContact CD2-NE1 3.96Å; H345-W415 AromaticContact NE2-NE1 3.57Å; L387-W415 CarbonylContact O-C 3.56Å; L387-W415 VanDerWaalsContact O-CA 3.31Å; L387-W415 WeakPolarHBondContact O-CA 3.37Å; Q388-W415 HydrophobicContact CB-CB 3.88Å; Q388-W415 HydrophobicContact CG-CB 4.13Å; W415-N417 HydrophobicContact CZ3-CB 4.05Å |
| 416 | L | 98.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.6 | -178.7 | 68.1 | 88.3 | 0 | 0 | 0 | 112 | R63 Q64 F65 F201 R386 L387 E418 | R63-L416 HydrophobicContact CG-CB 4.37Å; R63-L416 HydrophobicContact CG-CD1 4.3Å; Q64-L416 CarbonylContact O-C 3.25Å; Q64-L416 WeakPolarHBondContact O-CA 3.41Å; Q64-L416 WeakPolarHBondContact O-CB 3.48Å; F65-L416 HydrophobicContact CD1-CB 3.71Å; F65-L416 HydrophobicContact CD1-CD2 4.49Å; F65-L416 HydrophobicContact CE1-CB 3.91Å; F65-L416 HydrophobicContact CE1-CD2 3.98Å; F201-L416 HydrophobicContact CE1-CD2 4.13Å; F201-L416 HydrophobicContact CZ-CD2 3.67Å; R386-L416 VanDerWaalsContact CA-O 3.28Å; R386-L416 WeakPolarHBondContact CA-O 3.37Å; L387-L416 HydrophobicContact CD1-CD1 4.45Å; L387-L416 HydrophobicContact CD1-CD2 3.63Å; L387-L416 HydrophobicContact CD1-CG 3.87Å; L387-L416 HydrophobicContact CD2-CD1 4.31Å; L387-L416 HydrophobicContact CG-CD1 3.9Å; L387-L416 HydrophobicContact CG-CD2 4.01Å; L387-L416 HydrophobicContact CG-CG 3.81Å; L387-L416 PolarHBondContact N-O 2.69Å; L387-L416 PolarHBondContact O-N 3.02Å; L416-E418 HydrophobicContact CD1-CB 4.18Å |
| 417 | N | 98.7 | Very high | 94 | Very high | 18 Ų | 18 | 31.6 Ų | 31.6 | 10% | 0.096 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 105.9 | 165.5 | 179.3 | 28.7 | 0 | 0 | 0 | 108.2 | R63 Q64 W66 R386 W415 | R63-N417 WeakPolarHBondContact CA-O 3.31Å; Q64-N417 HydrophobicContact CB-CB 4.4Å; Q64-N417 PolarHBondContact N-O 3.48Å; Q64-N417 PolarHBondContact O-N 3.12Å; Q64-N417 PolarHBondContact OE1-ND2 3.1Å; Q64-N417 VanDerWaalsContact OE1-ND2 3.14Å; W66-N417 HydrophobicContact CH2-CB 4.3Å; W66-N417 HydrophobicContact CZ3-CB 3.85Å; R386-N417 HydrophobicContact CG-CB 4.38Å; W415-N417 HydrophobicContact CZ3-CB 4.05Å |
| 418 | E | 98.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 114.7 | 167 | -177.2 | 175.2 | 128.4 | 0 | 0 | 108.9 | V61 Y62 R63 V95 R96 F383 K385 L416 | V61-E418 HydrophobicContact CG1-CG 3.72Å; Y62-E418 CarbonylContact O-C 3.23Å; Y62-E418 VanDerWaalsContact O-CA 3.3Å; Y62-E418 WeakPolarHBondContact O-CA 3.25Å; R63-E418 HydrophobicContact CG-CB 4.32Å; R63-E418 IonicContact CZ-OE2 3.11Å; R63-E418 IonicContact NE-OE2 2.6Å; R63-E418 PolarHBondContact NE-OE2 3.5Å; R63-E418 IonicContact NH2-OE2 2.82Å; R63-E418 PolarHBondContact NH2-OE2 2.87Å; V95-E418 HydrophobicContact CG2-CG 4.45Å; R96-E418 IonicContact CZ-OE1 3.37Å; R96-E418 IonicContact NE-OE1 2.89Å; R96-E418 PolarHBondContact NE-OE1 2.99Å; R96-E418 IonicContact NH2-OE1 3.55Å; R96-E418 PolarHBondContact NH2-OE1 3.49Å; F383-E418 WeakPolarHBondContact CD2-O 3.36Å; F383-E418 HydrophobicContact CE2-CG 4.01Å; F383-E418 VanDerWaalsContact CE2-O 3.23Å; F383-E418 WeakPolarHBondContact CE2-O 3.23Å; F383-E418 HydrophobicContact CZ-CG 4.34Å; K385-E418 HydrophobicContact CB-CB 4.24Å; K385-E418 PolarHBondContact N-O 2.75Å; K385-E418 PolarHBondContact O-N 3.36Å; L416-E418 HydrophobicContact CD1-CB 4.18Å |
| 419 | T | 97.7 | Very high | 92.6 | Very high | 31 Ų | 31 | 34.2 Ų | 34.2 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 146.4 | -172.6 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | V61 Y62 F383 | V61-T419 WeakPolarHBondContact CA-O 3.45Å; Y62-T419 PolarHBondContact N-O 3.11Å; Y62-T419 PolarHBondContact O-N 3.4Å; F383-T419 VanDerWaalsContact O-CA 3.28Å; F383-T419 WeakPolarHBondContact O-CA 3.33Å; F383-T419 WeakPolarHBondContact O-CB 3.29Å; F383-T419 PolarHBondContact O-OG1 2.93Å |
| 420 | G | 95.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 146.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q382 F383 | Q382-G420 VanDerWaalsContact CA-O 3.28Å; Q382-G420 WeakPolarHBondContact CA-O 3.27Å; F383-G420 PolarHBondContact N-O 3.43Å; F383-G420 PolarHBondContact O-N 2.92Å |
| 421 | T | 94.3 | Very high | 91 | Very high | 57 Ų | 57 | 38.6 Ų | 38.6 | 35% | 0.35 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142.3 | 172.5 | -172.2 | 0 | 0 | 0 | 0 | 109.1 | T59 Q382 G423 | T59-T421 WeakPolarHBondContact CG2-O 3.31Å; Q382-T421 PolarHBondContact OE1-OG1 2.91Å; T421-G423 PolarHBondContact O-N 2.88Å |
| 422 | I | 89.8 | Confident | 90 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | trans | -54.6 | 128.9 | 177.2 | -172.2 | 171 | 0 | 0 | 0 | 111.2 | L285 K286 L381 K426 V427 F430 | L285-I422 HydrophobicContact CD2-CG2 4.09Å; L285-I422 HydrophobicContact CG-CG2 4.48Å; K286-I422 PolarHBondContact NZ-O 3.34Å; L381-I422 HydrophobicContact CB-CG2 4.31Å; L381-I422 HydrophobicContact CD2-CD1 4.34Å; L381-I422 PolarHBondContact O-N 3.49Å; I422-K426 HydrophobicContact CD1-CB 4.05Å; I422-K426 HydrophobicContact CG1-CB 3.72Å; I422-V427 HydrophobicContact CB-CG2 4.33Å; I422-V427 HydrophobicContact CD1-CG2 4.11Å; I422-V427 HydrophobicContact CG1-CG2 3.96Å; I422-V427 HydrophobicContact CG2-CG2 3.6Å; I422-F430 HydrophobicContact CD1-CB 4.41Å | ||
| 423 | G | 87.1 | Confident | 88.8 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 32% | 0.32 | 24% | 0.242 | S | C | . | . | trans | -71.4 | 153.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T421 E425 K426 V427 | T421-G423 PolarHBondContact O-N 2.88Å; G423-E425 PolarHBondContact O-N 3.4Å; G423-K426 WeakPolarHBondContact O-CB 3.48Å; G423-K426 PolarHBondContact O-N 3.44Å; G423-V427 WeakPolarHBondContact O-CG2 3.39Å; G423-V427 PolarHBondContact O-N 3.35Å | ||
| 424 | D | 84.9 | Confident | 87.8 | Confident | 116 Ų | 116 | 48 Ų | 48 | 62% | 0.62 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61 | -40.2 | -171 | -60 | -38.4 | 0 | 0 | 0 | 113.5 | K286 K426 V427 E428 | K286-D424 WeakPolarHBondContact CD-OD1 3.46Å; K286-D424 WeakPolarHBondContact CE-OD1 3.23Å; K286-D424 IonicContact NZ-OD1 2.66Å; K286-D424 PolarHBondContact NZ-OD1 2.95Å; D424-K426 VanDerWaalsContact C-N 3.27Å; D424-K426 PolarHBondContact O-N 3.42Å; D424-V427 WeakPolarHBondContact O-CB 3.27Å; D424-V427 PolarHBondContact O-N 3.42Å; D424-V427 VanDerWaalsContact O-N 3.13Å; D424-E428 PolarHBondContact O-N 2.66Å; D424-E428 VanDerWaalsContact O-N 3.14Å |
| 425 | E | 81.5 | Confident | 86.6 | Confident | 143 Ų | 143 | 48.8 Ų | 48.8 | 67% | 0.668 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -58.7 | -39.3 | 174.5 | -169.7 | -167.1 | 164.3 | 0 | 0 | 111.9 | G423 E428 I429 | G423-E425 PolarHBondContact O-N 3.4Å; E425-E428 PolarHBondContact O-N 3.05Å; E425-I429 WeakPolarHBondContact O-CG1 3.43Å; E425-I429 PolarHBondContact O-N 3.03Å |
| 426 | K | 82.8 | Confident | 85.4 | Confident | 81 Ų | 81 | 50.1 Ų | 50.1 | 35% | 0.352 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -74.9 | -29.9 | 178.2 | -63.6 | -61.3 | -178 | -168 | 0 | 112.3 | I422 G423 D424 E428 I429 F430 | I422-K426 HydrophobicContact CD1-CB 4.05Å; I422-K426 HydrophobicContact CG1-CB 3.72Å; G423-K426 WeakPolarHBondContact O-CB 3.48Å; G423-K426 PolarHBondContact O-N 3.44Å; D424-K426 VanDerWaalsContact C-N 3.27Å; D424-K426 PolarHBondContact O-N 3.42Å; K426-E428 VanDerWaalsContact C-N 3.34Å; K426-I429 HydrophobicContact CD-CD1 4.33Å; K426-I429 PolarHBondContact O-N 3.25Å; K426-F430 VanDerWaalsContact O-CB 3.25Å; K426-F430 WeakPolarHBondContact O-CB 3.45Å; K426-F430 PolarHBondContact O-N 3.4Å |
| 427 | V | 83.6 | Confident | 84.3 | Confident | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 172.4 | 171.1 | 0 | 0 | 0 | 0 | 110.2 | K286 I288 I422 G423 D424 F430 R431 | K286-V427 HydrophobicContact CB-CG1 4.09Å; K286-V427 HydrophobicContact CB-CG2 4.11Å; K286-V427 HydrophobicContact CD-CG2 3.7Å; K286-V427 WeakPolarHBondContact O-CG1 3.32Å; I288-V427 HydrophobicContact CD1-CB 4.49Å; I288-V427 HydrophobicContact CD1-CG1 3.95Å; I288-V427 HydrophobicContact CD1-CG2 4.43Å; I288-V427 HydrophobicContact CG1-CG1 4.44Å; I422-V427 HydrophobicContact CB-CG2 4.33Å; I422-V427 HydrophobicContact CD1-CG2 4.11Å; I422-V427 HydrophobicContact CG1-CG2 3.96Å; I422-V427 HydrophobicContact CG2-CG2 3.6Å; G423-V427 WeakPolarHBondContact O-CG2 3.39Å; G423-V427 PolarHBondContact O-N 3.35Å; D424-V427 WeakPolarHBondContact O-CB 3.27Å; D424-V427 PolarHBondContact O-N 3.42Å; D424-V427 VanDerWaalsContact O-N 3.13Å; V427-F430 PolarHBondContact O-N 3.29Å; V427-R431 HydrophobicContact CG1-CG 4.35Å; V427-R431 WeakPolarHBondContact O-CB 3.43Å; V427-R431 VanDerWaalsContact O-CG 3.31Å; V427-R431 WeakPolarHBondContact O-CG 3.46Å; V427-R431 PolarHBondContact O-N 3.35Å |
| 428 | E | 80.8 | Confident | 83.2 | Confident | 124 Ų | 124 | 56.9 Ų | 56.9 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.5 | -45 | 179.1 | -172.4 | 175.1 | -179.1 | 0 | 0 | 111.6 | D424 E425 K426 F430 R431 N432 | D424-E428 PolarHBondContact O-N 2.66Å; D424-E428 VanDerWaalsContact O-N 3.14Å; E425-E428 PolarHBondContact O-N 3.05Å; K426-E428 VanDerWaalsContact C-N 3.34Å; E428-F430 PolarHBondContact O-N 3.13Å; E428-R431 PolarHBondContact O-N 3.26Å; E428-N432 WeakPolarHBondContact O-CB 3.24Å; E428-N432 VanDerWaalsContact O-CG 3.27Å; E428-N432 PolarHBondContact O-N 3.33Å; E428-N432 PolarHBondContact O-ND2 3.47Å |
| 429 | I | 80.3 | Confident | 82.2 | Confident | 60 Ų | 60 | 61.6 Ų | 61.6 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | 175.3 | -66.2 | 168.1 | 0 | 0 | 0 | 110.9 | E425 K426 R431 N432 Q433 | E425-I429 WeakPolarHBondContact O-CG1 3.43Å; E425-I429 PolarHBondContact O-N 3.03Å; K426-I429 HydrophobicContact CD-CD1 4.33Å; K426-I429 PolarHBondContact O-N 3.25Å; I429-R431 VanDerWaalsContact C-N 3.35Å; I429-R431 PolarHBondContact O-N 3.31Å; I429-N432 PolarHBondContact O-N 2.85Å; I429-Q433 HydrophobicContact CG2-CG 4.25Å; I429-Q433 VanDerWaalsContact O-CB 3.3Å; I429-Q433 WeakPolarHBondContact O-CB 3.31Å; I429-Q433 VanDerWaalsContact O-CG 3.32Å; I429-Q433 WeakPolarHBondContact O-CG 3.33Å; I429-Q433 PolarHBondContact O-N 2.83Å |
| 430 | F | 82.4 | Confident | 81.4 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | 179.6 | -174.3 | -88.6 | 0 | 0 | 0 | 111.1 | I288 E374 T377 F379 L381 I422 K426 V427 E428 Q433 V434 T435 | I288-F430 HydrophobicContact CD1-CB 4.44Å; I288-F430 HydrophobicContact CD1-CD1 3.59Å; I288-F430 HydrophobicContact CD1-CE1 4.26Å; I288-F430 HydrophobicContact CD1-CG 4.29Å; I288-F430 HydrophobicContact CG1-CD1 4.22Å; I288-F430 HydrophobicContact CG2-CD1 4.34Å; I288-F430 HydrophobicContact CG2-CE1 3.94Å; E374-F430 HydrophobicContact CB-CZ 4.32Å; E374-F430 HydrophobicContact CG-CE1 3.9Å; E374-F430 HydrophobicContact CG-CZ 3.74Å; T377-F430 HydrophobicContact CG2-CE2 4.15Å; T377-F430 HydrophobicContact CG2-CZ 4.03Å; F379-F430 HydrophobicContact CD2-CE2 4Å; F379-F430 HydrophobicContact CE2-CE2 4.49Å; L381-F430 HydrophobicContact CD1-CE1 4.49Å; I422-F430 HydrophobicContact CD1-CB 4.41Å; K426-F430 VanDerWaalsContact O-CB 3.25Å; K426-F430 WeakPolarHBondContact O-CB 3.45Å; K426-F430 PolarHBondContact O-N 3.4Å; V427-F430 PolarHBondContact O-N 3.29Å; E428-F430 PolarHBondContact O-N 3.13Å; F430-Q433 PolarHBondContact O-N 3.37Å; F430-V434 HydrophobicContact CD2-CG2 4.24Å; F430-V434 HydrophobicContact CE1-CB 4.29Å; F430-V434 HydrophobicContact CE1-CG1 4.47Å; F430-V434 HydrophobicContact CE2-CG2 4.08Å; F430-V434 HydrophobicContact CZ-CB 4.28Å; F430-V434 HydrophobicContact CZ-CG1 4.24Å; F430-V434 HydrophobicContact CZ-CG2 4.3Å; F430-V434 VanDerWaalsContact O-CB 3.3Å; F430-V434 WeakPolarHBondContact O-CB 3.44Å; F430-V434 PolarHBondContact O-N 2.92Å; F430-T435 HydrophobicContact CE1-CG2 4.14Å |
| 431 | R | 80.6 | Confident | 80.8 | Confident | 96 Ų | 96 | 67.2 Ų | 67.2 | 36% | 0.362 | 35% | 0.346 | S | S | . | . | I | π-helix | trans | -61.3 | -50.3 | 176.1 | -73 | 178.7 | -173.9 | 171.6 | -1.8 | 111.2 | K286 G287 I288 V427 E428 I429 Q433 T435 G436 | K286-R431 VanDerWaalsContact O-CZ 3.28Å; K286-R431 PolarHBondContact O-NE 3.41Å; K286-R431 PolarHBondContact O-NH2 3.29Å; G287-R431 VanDerWaalsContact CA-NH2 3.35Å; I288-R431 HydrophobicContact CD1-CG 4.39Å; I288-R431 HydrophobicContact CG1-CG 3.97Å; V427-R431 HydrophobicContact CG1-CG 4.35Å; V427-R431 WeakPolarHBondContact O-CB 3.43Å; V427-R431 VanDerWaalsContact O-CG 3.31Å; V427-R431 WeakPolarHBondContact O-CG 3.46Å; V427-R431 PolarHBondContact O-N 3.35Å; E428-R431 PolarHBondContact O-N 3.26Å; I429-R431 VanDerWaalsContact C-N 3.35Å; I429-R431 PolarHBondContact O-N 3.31Å; R431-Q433 VanDerWaalsContact C-N 3.32Å; R431-Q433 PolarHBondContact O-N 2.92Å; R431-T435 VanDerWaalsContact CA-OG1 3.26Å; R431-T435 WeakPolarHBondContact CA-OG1 3.25Å; R431-T435 PolarHBondContact O-N 2.58Å; R431-T435 PolarHBondContact O-OG1 3.36Å; R431-G436 WeakPolarHBondContact O-CA 3.49Å; R431-G436 PolarHBondContact O-N 2.94Å |
| 432 | N | 77.1 | Confident | 80.1 | Confident | 101 Ų | 101 | 67.2 Ų | 67.2 | 54% | 0.54 | 34% | 0.344 | S | S | . | . | I | π-helix | trans | -64.9 | -35.5 | -177.4 | -70.9 | -18.7 | 0 | 0 | 0 | 112.9 | E428 I429 | E428-N432 WeakPolarHBondContact O-CB 3.24Å; E428-N432 VanDerWaalsContact O-CG 3.27Å; E428-N432 PolarHBondContact O-N 3.33Å; E428-N432 PolarHBondContact O-ND2 3.47Å; I429-N432 PolarHBondContact O-N 2.85Å |
| 433 | Q | 74.1 | Confident | 79.9 | Confident | 91 Ų | 91 | 71.5 Ų | 71.5 | 43% | 0.425 | 37% | 0.366 | S | S | . | . | I | π-helix | trans | -85.5 | -30.4 | -176.4 | -68.9 | -175 | -18.2 | 0 | 0 | 113.7 | I49 I429 F430 R431 | I49-Q433 HydrophobicContact CD1-CB 4.39Å; I429-Q433 HydrophobicContact CG2-CG 4.25Å; I429-Q433 VanDerWaalsContact O-CB 3.3Å; I429-Q433 WeakPolarHBondContact O-CB 3.31Å; I429-Q433 VanDerWaalsContact O-CG 3.32Å; I429-Q433 WeakPolarHBondContact O-CG 3.33Å; I429-Q433 PolarHBondContact O-N 2.83Å; F430-Q433 PolarHBondContact O-N 3.37Å; R431-Q433 VanDerWaalsContact C-N 3.32Å; R431-Q433 PolarHBondContact O-N 2.92Å |
| 434 | V | 77.6 | Confident | 79.8 | Confident | 11 Ų | 11 | 73 Ų | 73 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | I | π-helix | trans | -114.7 | -76.1 | -173.2 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | I38 T377 F430 G436 K437 I438 | I38-V434 HydrophobicContact CD1-CG1 3.94Å; T377-V434 HydrophobicContact CG2-CG1 3.97Å; F430-V434 HydrophobicContact CD2-CG2 4.24Å; F430-V434 HydrophobicContact CE1-CB 4.29Å; F430-V434 HydrophobicContact CE1-CG1 4.47Å; F430-V434 HydrophobicContact CE2-CG2 4.08Å; F430-V434 HydrophobicContact CZ-CB 4.28Å; F430-V434 HydrophobicContact CZ-CG1 4.24Å; F430-V434 HydrophobicContact CZ-CG2 4.3Å; F430-V434 VanDerWaalsContact O-CB 3.3Å; F430-V434 WeakPolarHBondContact O-CB 3.44Å; F430-V434 PolarHBondContact O-N 2.92Å; V434-G436 PolarHBondContact O-N 3.31Å; V434-K437 PolarHBondContact O-N 2.91Å; V434-I438 HydrophobicContact CG1-CD1 4.28Å; V434-I438 WeakPolarHBondContact O-CG1 3.22Å; V434-I438 PolarHBondContact O-N 2.91Å |
| 435 | T | 73.6 | Confident | 79.8 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | I | π-helix | trans | -69.1 | -33.4 | -169 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | F430 R431 I438 N439 | F430-T435 HydrophobicContact CE1-CG2 4.14Å; R431-T435 VanDerWaalsContact CA-OG1 3.26Å; R431-T435 WeakPolarHBondContact CA-OG1 3.25Å; R431-T435 PolarHBondContact O-N 2.58Å; R431-T435 PolarHBondContact O-OG1 3.36Å; T435-I438 PolarHBondContact O-N 2.76Å; T435-N439 VanDerWaalsContact O-CB 3.31Å; T435-N439 WeakPolarHBondContact O-CB 3.31Å; T435-N439 PolarHBondContact O-N 2.88Å; T435-N439 PolarHBondContact O-ND2 3.37Å; T435-N439 PolarHBondContact O-OD1 3.5Å |
| 436 | G | 74.3 | Confident | 80 | Confident | 31 Ų | 31 | 67.8 Ų | 67.8 | 32% | 0.32 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R431 V434 I438 L440 | R431-G436 WeakPolarHBondContact O-CA 3.49Å; R431-G436 PolarHBondContact O-N 2.94Å; V434-G436 PolarHBondContact O-N 3.31Å; G436-I438 VanDerWaalsContact C-N 3.35Å; G436-L440 WeakPolarHBondContact O-CB 3.3Å; G436-L440 PolarHBondContact O-N 2.95Å |
| 437 | K | 75.1 | Confident | 80.3 | Confident | 135 Ų | 135 | 67.5 Ų | 67.5 | 59% | 0.587 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.7 | -39.9 | 174.5 | -68.1 | -174.5 | -177.8 | 175.2 | 0 | 111.6 | V434 L441 | V434-K437 PolarHBondContact O-N 2.91Å; K437-L441 WeakPolarHBondContact O-CB 3.37Å; K437-L441 PolarHBondContact O-N 3.25Å; K437-L441 VanDerWaalsContact O-N 3.1Å |
| 438 | I | 76.9 | Confident | 80.6 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.1 | -50.5 | 177.4 | -65.3 | 173.1 | 0 | 0 | 0 | 110.1 | I34 I376 V434 T435 G436 L440 L441 D442 | I34-I438 HydrophobicContact CD1-CB 4.3Å; I34-I438 HydrophobicContact CD1-CG1 4.1Å; I34-I438 HydrophobicContact CD1-CG2 4.04Å; I34-I438 HydrophobicContact CG1-CG1 4.13Å; I34-I438 HydrophobicContact CG2-CD1 3.77Å; I34-I438 HydrophobicContact CG2-CG1 3.72Å; I376-I438 HydrophobicContact CD1-CD1 3.89Å; I376-I438 HydrophobicContact CG2-CD1 4.28Å; V434-I438 HydrophobicContact CG1-CD1 4.28Å; V434-I438 WeakPolarHBondContact O-CG1 3.22Å; V434-I438 PolarHBondContact O-N 2.91Å; T435-I438 PolarHBondContact O-N 2.76Å; G436-I438 VanDerWaalsContact C-N 3.35Å; I438-L440 VanDerWaalsContact C-N 3.34Å; I438-L440 PolarHBondContact O-N 2.99Å; I438-L441 PolarHBondContact O-N 3.46Å; I438-D442 PolarHBondContact O-N 3.48Å |
| 439 | N | 77.2 | Confident | 81.1 | Confident | 102 Ų | 102 | 66 Ų | 66 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65 | -35.9 | 179.8 | -69.4 | -9.8 | 0 | 0 | 0 | 112.5 | T435 L441 L443 | T435-N439 VanDerWaalsContact O-CB 3.31Å; T435-N439 WeakPolarHBondContact O-CB 3.31Å; T435-N439 PolarHBondContact O-N 2.88Å; T435-N439 PolarHBondContact O-ND2 3.37Å; T435-N439 PolarHBondContact O-OD1 3.5Å; N439-L441 VanDerWaalsContact C-N 3.35Å; N439-L443 WeakPolarHBondContact O-CB 3.25Å; N439-L443 PolarHBondContact O-N 3.34Å |
| 440 | L | 80.8 | Confident | 81.7 | Confident | 108 Ų | 108 | 66.9 Ų | 66.9 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.1 | -41.4 | 175.5 | 178.6 | 62.9 | 0 | 0 | 0 | 111 | G436 I438 L443 V444 | G436-L440 WeakPolarHBondContact O-CB 3.3Å; G436-L440 PolarHBondContact O-N 2.95Å; I438-L440 VanDerWaalsContact C-N 3.34Å; I438-L440 PolarHBondContact O-N 2.99Å; L440-L443 PolarHBondContact O-N 2.96Å; L440-V444 HydrophobicContact CD1-CG2 4.25Å; L440-V444 WeakPolarHBondContact O-CB 3.22Å; L440-V444 VanDerWaalsContact O-CG2 3.24Å; L440-V444 WeakPolarHBondContact O-CG2 3.07Å; L440-V444 PolarHBondContact O-N 2.82Å |
| 441 | L | 81.2 | Confident | 82.3 | Confident | 46 Ų | 46 | 69.2 Ų | 69.2 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.2 | -50 | 178.1 | -164 | 72.2 | 0 | 0 | 0 | 110.9 | G30 I34 K437 I438 N439 L443 V444 E445 | G30-L441 VanDerWaalsContact CA-CD2 3.41Å; I34-L441 HydrophobicContact CD1-CD2 3.59Å; I34-L441 HydrophobicContact CG1-CD2 3.84Å; K437-L441 WeakPolarHBondContact O-CB 3.37Å; K437-L441 PolarHBondContact O-N 3.25Å; K437-L441 VanDerWaalsContact O-N 3.1Å; I438-L441 PolarHBondContact O-N 3.46Å; N439-L441 VanDerWaalsContact C-N 3.35Å; L441-L443 VanDerWaalsContact C-N 3.29Å; L441-L443 PolarHBondContact O-N 3.36Å; L441-V444 PolarHBondContact O-N 3.44Å; L441-V444 VanDerWaalsContact O-N 3.16Å; L441-E445 WeakPolarHBondContact CG-OE1 3.3Å; L441-E445 WeakPolarHBondContact O-CB 3.22Å; L441-E445 VanDerWaalsContact O-CG 3.24Å; L441-E445 WeakPolarHBondContact O-CG 3.18Å; L441-E445 PolarHBondContact O-N 2.85Å |
| 442 | D | 79.9 | Confident | 82.8 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.5 | -40.2 | 175.6 | -177.5 | 34.7 | 0 | 0 | 0 | 111.5 | I438 E445 R446 | I438-D442 PolarHBondContact O-N 3.48Å; D442-E445 PolarHBondContact O-N 3.42Å; D442-R446 VanDerWaalsContact CG-NE 3.3Å; D442-R446 WeakPolarHBondContact O-CB 3.5Å; D442-R446 VanDerWaalsContact O-CG 3.24Å; D442-R446 WeakPolarHBondContact O-CG 3.26Å; D442-R446 PolarHBondContact O-N 2.88Å; D442-R446 IonicContact OD1-CZ 3.42Å; D442-R446 IonicContact OD1-NE 3.23Å; D442-R446 PolarHBondContact OD1-NE 2.92Å; D442-R446 IonicContact OD1-NH2 3.5Å; D442-R446 PolarHBondContact OD1-NH2 3.46Å; D442-R446 IonicContact OD2-CZ 2.91Å; D442-R446 IonicContact OD2-NE 2.76Å; D442-R446 PolarHBondContact OD2-NE 3.33Å; D442-R446 VanDerWaalsContact OD2-NE 3.11Å; D442-R446 IonicContact OD2-NH2 2.8Å; D442-R446 PolarHBondContact OD2-NH2 2.82Å |
| 443 | L | 85.2 | Confident | 83.6 | Confident | 101 Ų | 101 | 63 Ų | 63 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 175.6 | -179.2 | 67 | 0 | 0 | 0 | 111.9 | N439 L440 L441 E445 R446 V447 | N439-L443 WeakPolarHBondContact O-CB 3.25Å; N439-L443 PolarHBondContact O-N 3.34Å; L440-L443 PolarHBondContact O-N 2.96Å; L441-L443 VanDerWaalsContact C-N 3.29Å; L441-L443 PolarHBondContact O-N 3.36Å; L443-E445 VanDerWaalsContact C-N 3.33Å; L443-E445 PolarHBondContact O-N 3.33Å; L443-R446 PolarHBondContact O-N 2.94Å; L443-V447 HydrophobicContact CD1-CG2 4.17Å; L443-V447 HydrophobicContact CG-CG2 4.39Å; L443-V447 WeakPolarHBondContact O-CB 3.46Å; L443-V447 VanDerWaalsContact O-CG2 3.22Å; L443-V447 WeakPolarHBondContact O-CG2 3.39Å; L443-V447 PolarHBondContact O-N 3.37Å |
| 444 | V | 85.4 | Confident | 84.6 | Confident | 62 Ų | 62 | 64.1 Ų | 64.1 | 38% | 0.376 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 179.1 | 168 | 0 | 0 | 0 | 0 | 110.4 | L26 L440 L441 V447 L448 | L26-V444 HydrophobicContact CD2-CG1 4.42Å; L440-V444 HydrophobicContact CD1-CG2 4.25Å; L440-V444 WeakPolarHBondContact O-CB 3.22Å; L440-V444 VanDerWaalsContact O-CG2 3.24Å; L440-V444 WeakPolarHBondContact O-CG2 3.07Å; L440-V444 PolarHBondContact O-N 2.82Å; L441-V444 PolarHBondContact O-N 3.44Å; L441-V444 VanDerWaalsContact O-N 3.16Å; V444-V447 PolarHBondContact O-N 3.13Å; V444-L448 HydrophobicContact CG1-CD1 3.73Å; V444-L448 HydrophobicContact CG1-CG 4.33Å; V444-L448 WeakPolarHBondContact O-CB 3.45Å; V444-L448 VanDerWaalsContact O-CG 3.23Å; V444-L448 WeakPolarHBondContact O-CG 3.45Å; V444-L448 PolarHBondContact O-N 3.31Å |
| 445 | E | 84.9 | Confident | 85.3 | Confident | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.028 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.6 | -50.3 | 176.1 | -73.3 | 168.2 | -171.7 | 0 | 0 | 111.9 | L26 M27 L441 D442 L443 V447 L448 L449 | L26-E445 HydrophobicContact CB-CG 4.03Å; L26-E445 HydrophobicContact CD2-CG 3.75Å; L26-E445 HydrophobicContact CG-CG 3.73Å; M27-E445 WeakPolarHBondContact CA-OE2 3.31Å; M27-E445 HydrophobicContact CE-CB 4.37Å; M27-E445 HydrophobicContact CG-CB 4Å; M27-E445 HydrophobicContact CG-CG 4.31Å; L441-E445 WeakPolarHBondContact CG-OE1 3.3Å; L441-E445 WeakPolarHBondContact O-CB 3.22Å; L441-E445 VanDerWaalsContact O-CG 3.24Å; L441-E445 WeakPolarHBondContact O-CG 3.18Å; L441-E445 PolarHBondContact O-N 2.85Å; D442-E445 PolarHBondContact O-N 3.42Å; L443-E445 VanDerWaalsContact C-N 3.33Å; L443-E445 PolarHBondContact O-N 3.33Å; E445-V447 PolarHBondContact O-N 3.41Å; E445-L448 PolarHBondContact O-N 3.2Å; E445-L449 WeakPolarHBondContact O-CB 3.25Å; E445-L449 PolarHBondContact O-N 3.37Å |
| 446 | R | 86.1 | Confident | 86.3 | Confident | 145 Ų | 145 | 69.7 Ų | 69.7 | 55% | 0.547 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.4 | -42.2 | 178.3 | -72.2 | 177.4 | -166.6 | -135 | 11.3 | 112.4 | D442 L443 L449 V450 | D442-R446 VanDerWaalsContact CG-NE 3.3Å; D442-R446 WeakPolarHBondContact O-CB 3.5Å; D442-R446 VanDerWaalsContact O-CG 3.24Å; D442-R446 WeakPolarHBondContact O-CG 3.26Å; D442-R446 PolarHBondContact O-N 2.88Å; D442-R446 IonicContact OD1-CZ 3.42Å; D442-R446 IonicContact OD1-NE 3.23Å; D442-R446 PolarHBondContact OD1-NE 2.92Å; D442-R446 IonicContact OD1-NH2 3.5Å; D442-R446 PolarHBondContact OD1-NH2 3.46Å; D442-R446 IonicContact OD2-CZ 2.91Å; D442-R446 IonicContact OD2-NE 2.76Å; D442-R446 PolarHBondContact OD2-NE 3.33Å; D442-R446 VanDerWaalsContact OD2-NE 3.11Å; D442-R446 IonicContact OD2-NH2 2.8Å; D442-R446 PolarHBondContact OD2-NH2 2.82Å; L443-R446 PolarHBondContact O-N 2.94Å; R446-L449 PolarHBondContact O-N 3.33Å; R446-V450 WeakPolarHBondContact O-CB 3.34Å; R446-V450 VanDerWaalsContact O-CG2 3.25Å; R446-V450 WeakPolarHBondContact O-CG2 3.49Å; R446-V450 PolarHBondContact O-N 2.91Å |
| 447 | V | 90 | Very high | 87.2 | Confident | 74 Ų | 74 | 71.4 Ų | 71.4 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 178.9 | 169.3 | 0 | 0 | 0 | 0 | 110.4 | L443 V444 E445 L449 V450 V451 | L443-V447 HydrophobicContact CD1-CG2 4.17Å; L443-V447 HydrophobicContact CG-CG2 4.39Å; L443-V447 WeakPolarHBondContact O-CB 3.46Å; L443-V447 VanDerWaalsContact O-CG2 3.22Å; L443-V447 WeakPolarHBondContact O-CG2 3.39Å; L443-V447 PolarHBondContact O-N 3.37Å; V444-V447 PolarHBondContact O-N 3.13Å; E445-V447 PolarHBondContact O-N 3.41Å; V447-L449 VanDerWaalsContact C-N 3.31Å; V447-L449 PolarHBondContact O-N 2.94Å; V447-V450 PolarHBondContact O-N 2.86Å; V447-V451 HydrophobicContact CG1-CG2 4.05Å; V447-V451 VanDerWaalsContact O-CB 3.25Å; V447-V451 WeakPolarHBondContact O-CB 3.47Å; V447-V451 VanDerWaalsContact O-CG2 3.24Å; V447-V451 WeakPolarHBondContact O-CG2 3.34Å; V447-V451 PolarHBondContact O-N 3.29Å |
| 448 | L | 89.9 | Confident | 88.1 | Confident | 40 Ų | 40 | 67.4 Ų | 67.4 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.9 | -43.5 | 177.6 | -74.7 | 168.9 | 0 | 0 | 0 | 111.7 | L19 F22 L26 V444 E445 G452 | L19-L448 HydrophobicContact CD2-CD2 3.99Å; F22-L448 HydrophobicContact CD1-CD1 4.08Å; F22-L448 HydrophobicContact CE1-CD1 4.28Å; L26-L448 HydrophobicContact CD2-CD1 4.02Å; V444-L448 HydrophobicContact CG1-CD1 3.73Å; V444-L448 HydrophobicContact CG1-CG 4.33Å; V444-L448 WeakPolarHBondContact O-CB 3.45Å; V444-L448 VanDerWaalsContact O-CG 3.23Å; V444-L448 WeakPolarHBondContact O-CG 3.45Å; V444-L448 PolarHBondContact O-N 3.31Å; E445-L448 PolarHBondContact O-N 3.2Å; L448-G452 WeakPolarHBondContact O-CA 3.3Å; L448-G452 PolarHBondContact O-N 3.46Å |
| 449 | L | 91.1 | Very high | 88.8 | Confident | 59 Ų | 59 | 69 Ų | 69 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.1 | -49.9 | 179 | -174 | 132.4 | 0 | 0 | 0 | 112 | M27 E445 R446 V447 G452 V453 | M27-L449 HydrophobicContact CE-CB 4.21Å; M27-L449 HydrophobicContact CE-CD1 3.84Å; M27-L449 HydrophobicContact CE-CG 4.46Å; M27-L449 HydrophobicContact SD-CD1 4.34Å; E445-L449 WeakPolarHBondContact O-CB 3.25Å; E445-L449 PolarHBondContact O-N 3.37Å; R446-L449 PolarHBondContact O-N 3.33Å; V447-L449 VanDerWaalsContact C-N 3.31Å; V447-L449 PolarHBondContact O-N 2.94Å; L449-G452 PolarHBondContact O-N 2.85Å; L449-V453 WeakPolarHBondContact O-CB 3.14Å; L449-V453 VanDerWaalsContact O-CG2 3.26Å; L449-V453 WeakPolarHBondContact O-CG2 3.21Å; L449-V453 PolarHBondContact O-N 3.47Å |
| 450 | V | 92.4 | Very high | 89.4 | Confident | 78 Ų | 78 | 67.7 Ų | 67.7 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -47.7 | -178.3 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | R446 V447 V453 L454 | R446-V450 WeakPolarHBondContact O-CB 3.34Å; R446-V450 VanDerWaalsContact O-CG2 3.25Å; R446-V450 WeakPolarHBondContact O-CG2 3.49Å; R446-V450 PolarHBondContact O-N 2.91Å; V447-V450 PolarHBondContact O-N 2.86Å; V450-V453 PolarHBondContact O-N 3.46Å; V450-L454 HydrophobicContact CG1-CD1 3.84Å; V450-L454 HydrophobicContact CG1-CG 4.36Å; V450-L454 WeakPolarHBondContact O-CB 3.3Å; V450-L454 VanDerWaalsContact O-CG 3.27Å; V450-L454 WeakPolarHBondContact O-CG 3.33Å; V450-L454 PolarHBondContact O-N 3.37Å |
| 451 | V | 93.9 | Very high | 89.9 | Confident | 65 Ų | 65 | 67.7 Ų | 67.7 | 39% | 0.394 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 178.5 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | V447 V453 L454 M455 | V447-V451 HydrophobicContact CG1-CG2 4.05Å; V447-V451 VanDerWaalsContact O-CB 3.25Å; V447-V451 WeakPolarHBondContact O-CB 3.47Å; V447-V451 VanDerWaalsContact O-CG2 3.24Å; V447-V451 WeakPolarHBondContact O-CG2 3.34Å; V447-V451 PolarHBondContact O-N 3.29Å; V451-V453 PolarHBondContact O-N 2.94Å; V451-L454 PolarHBondContact O-N 3.43Å; V451-M455 HydrophobicContact CG1-CG 4.23Å; V451-M455 HydrophobicContact CG1-SD 3.88Å; V451-M455 WeakPolarHBondContact O-CB 3.3Å; V451-M455 VanDerWaalsContact O-CG 3.31Å; V451-M455 WeakPolarHBondContact O-CG 3.34Å; V451-M455 PolarHBondContact O-N 3.29Å |
| 452 | G | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G16 L448 L449 M455 F456 | G16-G452 CarbonylContact C-O 3.53Å; G16-G452 WeakPolarHBondContact CA-O 3.5Å; G16-G452 CarbonylContact O-C 3.34Å; G16-G452 VanDerWaalsContact O-CA 3.25Å; G16-G452 WeakPolarHBondContact O-CA 3.21Å; G16-G452 VanDerWaalsContact O-O 3.12Å; L448-G452 WeakPolarHBondContact O-CA 3.3Å; L448-G452 PolarHBondContact O-N 3.46Å; L449-G452 PolarHBondContact O-N 2.85Å; G452-M455 PolarHBondContact O-N 3.48Å; G452-F456 WeakPolarHBondContact O-CB 3.4Å; G452-F456 PolarHBondContact O-N 3.35Å |
| 453 | V | 93.4 | Very high | 90.6 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 178 | 172 | 0 | 0 | 0 | 0 | 111.4 | A20 L449 V450 V451 M455 F456 V457 | A20-V453 HydrophobicContact CB-CG2 4.01Å; L449-V453 WeakPolarHBondContact O-CB 3.14Å; L449-V453 VanDerWaalsContact O-CG2 3.26Å; L449-V453 WeakPolarHBondContact O-CG2 3.21Å; L449-V453 PolarHBondContact O-N 3.47Å; V450-V453 PolarHBondContact O-N 3.46Å; V451-V453 PolarHBondContact O-N 2.94Å; V453-M455 PolarHBondContact O-N 3.48Å; V453-F456 PolarHBondContact O-N 2.97Å; V453-V457 HydrophobicContact CG1-CG2 4.38Å; V453-V457 WeakPolarHBondContact O-CB 3.46Å; V453-V457 VanDerWaalsContact O-CG2 3.31Å; V453-V457 WeakPolarHBondContact O-CG2 3.3Å; V453-V457 PolarHBondContact O-N 3.49Å |
| 454 | L | 94.6 | Very high | 90.6 | Very high | 114 Ų | 114 | 66.4 Ų | 66.4 | 60% | 0.597 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.6 | -44.2 | 178.8 | -73 | 175.7 | 0 | 0 | 0 | 111.8 | V450 V451 V457 A458 | V450-L454 HydrophobicContact CG1-CD1 3.84Å; V450-L454 HydrophobicContact CG1-CG 4.36Å; V450-L454 WeakPolarHBondContact O-CB 3.3Å; V450-L454 VanDerWaalsContact O-CG 3.27Å; V450-L454 WeakPolarHBondContact O-CG 3.33Å; V450-L454 PolarHBondContact O-N 3.37Å; V451-L454 PolarHBondContact O-N 3.43Å; L454-V457 PolarHBondContact O-N 2.99Å; L454-A458 WeakPolarHBondContact O-CB 3.29Å; L454-A458 PolarHBondContact O-N 3Å |
| 455 | M | 93.1 | Very high | 90.6 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 29% | 0.286 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -49.8 | 175.1 | -76.6 | -177.2 | 67.9 | 0 | 0 | 110.9 | I15 L19 V451 G452 V453 V457 A458 F459 | I15-M455 HydrophobicContact CG2-CE 4.16Å; L19-M455 HydrophobicContact CD1-SD 4.13Å; V451-M455 HydrophobicContact CG1-CG 4.23Å; V451-M455 HydrophobicContact CG1-SD 3.88Å; V451-M455 WeakPolarHBondContact O-CB 3.3Å; V451-M455 VanDerWaalsContact O-CG 3.31Å; V451-M455 WeakPolarHBondContact O-CG 3.34Å; V451-M455 PolarHBondContact O-N 3.29Å; G452-M455 PolarHBondContact O-N 3.48Å; V453-M455 PolarHBondContact O-N 3.48Å; M455-V457 VanDerWaalsContact C-N 3.34Å; M455-V457 PolarHBondContact O-N 3.01Å; M455-A458 PolarHBondContact O-N 3.43Å; M455-F459 HydrophobicContact CB-CD2 4.3Å; M455-F459 HydrophobicContact CB-CE2 4.47Å; M455-F459 HydrophobicContact CE-CE2 3.92Å; M455-F459 WeakPolarHBondContact O-CB 3.15Å; M455-F459 WeakPolarHBondContact O-CD2 3.45Å; M455-F459 PolarHBondContact O-N 3.43Å |
| 456 | F | 93.6 | Very high | 90.4 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 38% | 0.377 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.9 | -50.4 | 179 | 178 | -102 | 0 | 0 | 0 | 111.5 | A13 A17 G452 V453 M460 | A13-F456 HydrophobicContact CB-CD2 4.31Å; A13-F456 WeakPolarHBondContact O-CD2 3.38Å; A17-F456 HydrophobicContact CB-CD2 3.81Å; A17-F456 HydrophobicContact CB-CE2 4.14Å; G452-F456 WeakPolarHBondContact O-CB 3.4Å; G452-F456 PolarHBondContact O-N 3.35Å; V453-F456 PolarHBondContact O-N 2.97Å; F456-M460 HydrophobicContact CD1-CG 4.46Å; F456-M460 HydrophobicContact CD2-CG 4.22Å; F456-M460 HydrophobicContact CE1-CG 4.17Å; F456-M460 HydrophobicContact CE2-CG 3.92Å; F456-M460 HydrophobicContact CE2-SD 4.45Å; F456-M460 HydrophobicContact CG-CG 4.49Å; F456-M460 HydrophobicContact CZ-CG 3.9Å; F456-M460 VanDerWaalsContact O-CB 3.25Å; F456-M460 WeakPolarHBondContact O-CB 3.25Å; F456-M460 WeakPolarHBondContact O-CG 3.4Å; F456-M460 PolarHBondContact O-N 2.93Å |
| 457 | V | 93.8 | Very high | 90 | Very high | 67 Ų | 67 | 68.4 Ų | 68.4 | 41% | 0.406 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.5 | -46.1 | -179.5 | 174 | 0 | 0 | 0 | 0 | 111.3 | V453 L454 M455 M460 I461 | V453-V457 HydrophobicContact CG1-CG2 4.38Å; V453-V457 WeakPolarHBondContact O-CB 3.46Å; V453-V457 VanDerWaalsContact O-CG2 3.31Å; V453-V457 WeakPolarHBondContact O-CG2 3.3Å; V453-V457 PolarHBondContact O-N 3.49Å; L454-V457 PolarHBondContact O-N 2.99Å; M455-V457 VanDerWaalsContact C-N 3.34Å; M455-V457 PolarHBondContact O-N 3.01Å; V457-M460 PolarHBondContact O-N 3.46Å; V457-I461 HydrophobicContact CG1-CD1 3.58Å; V457-I461 HydrophobicContact CG1-CG1 4.26Å; V457-I461 WeakPolarHBondContact O-CB 3.48Å; V457-I461 VanDerWaalsContact O-CG1 3.25Å; V457-I461 WeakPolarHBondContact O-CG1 3.31Å; V457-I461 PolarHBondContact O-N 3.39Å |
| 458 | A | 92.9 | Very high | 89.2 | Confident | 51 Ų | 51 | 69 Ų | 69 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.1 | -44.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L454 M455 S462 | L454-A458 WeakPolarHBondContact O-CB 3.29Å; L454-A458 PolarHBondContact O-N 3Å; M455-A458 PolarHBondContact O-N 3.43Å; A458-S462 VanDerWaalsContact O-CB 3.3Å; A458-S462 WeakPolarHBondContact O-CB 3.27Å; A458-S462 PolarHBondContact O-N 2.89Å; A458-S462 PolarHBondContact O-OG 3.22Å |
| 459 | F | 92.4 | Very high | 88.1 | Confident | 65 Ų | 65 | 75.3 Ų | 75.3 | 29% | 0.285 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.4 | -36.7 | 177.7 | -79 | -69.8 | 0 | 0 | 0 | 112 | L9 A13 M455 S462 Y463 | L9-F459 HydrophobicContact CD2-CD1 3.76Å; L9-F459 HydrophobicContact CD2-CE1 4.24Å; A13-F459 HydrophobicContact CB-CB 3.95Å; M455-F459 HydrophobicContact CB-CD2 4.3Å; M455-F459 HydrophobicContact CB-CE2 4.47Å; M455-F459 HydrophobicContact CE-CE2 3.92Å; M455-F459 WeakPolarHBondContact O-CB 3.15Å; M455-F459 WeakPolarHBondContact O-CD2 3.45Å; M455-F459 PolarHBondContact O-N 3.43Å; F459-S462 PolarHBondContact O-N 2.89Å; F459-Y463 VanDerWaalsContact O-CB 3.29Å; F459-Y463 WeakPolarHBondContact O-CB 3.45Å; F459-Y463 PolarHBondContact O-N 3.25Å |
| 460 | M | 90.2 | Very high | 86.6 | Confident | 73 Ų | 73 | 78.2 Ų | 78.2 | 36% | 0.36 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 175.3 | -75 | -61.4 | -65.8 | 0 | 0 | 112.7 | A13 F456 V457 S462 Y463 C464 | A13-M460 HydrophobicContact CB-CG 4.05Å; A13-M460 HydrophobicContact CB-SD 3.95Å; F456-M460 HydrophobicContact CD1-CG 4.46Å; F456-M460 HydrophobicContact CD2-CG 4.22Å; F456-M460 HydrophobicContact CE1-CG 4.17Å; F456-M460 HydrophobicContact CE2-CG 3.92Å; F456-M460 HydrophobicContact CE2-SD 4.45Å; F456-M460 HydrophobicContact CG-CG 4.49Å; F456-M460 HydrophobicContact CZ-CG 3.9Å; F456-M460 VanDerWaalsContact O-CB 3.25Å; F456-M460 WeakPolarHBondContact O-CB 3.25Å; F456-M460 WeakPolarHBondContact O-CG 3.4Å; F456-M460 PolarHBondContact O-N 2.93Å; V457-M460 PolarHBondContact O-N 3.46Å; M460-S462 VanDerWaalsContact C-N 3.33Å; M460-Y463 PolarHBondContact O-N 3.06Å; M460-C464 WeakPolarHBondContact O-CB 3.32Å; M460-C464 PolarHBondContact O-N 2.97Å; M460-C464 PolarHBondContact O-SG 3.44Å |
| 461 | I | 90.8 | Very high | 84.8 | Confident | 108 Ų | 108 | 77.7 Ų | 77.7 | 55% | 0.554 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.3 | -45.5 | 174.1 | -69.2 | 169.3 | 0 | 0 | 0 | 110 | V457 Y463 C464 A465 | V457-I461 HydrophobicContact CG1-CD1 3.58Å; V457-I461 HydrophobicContact CG1-CG1 4.26Å; V457-I461 WeakPolarHBondContact O-CB 3.48Å; V457-I461 VanDerWaalsContact O-CG1 3.25Å; V457-I461 WeakPolarHBondContact O-CG1 3.31Å; V457-I461 PolarHBondContact O-N 3.39Å; I461-Y463 VanDerWaalsContact C-N 3.34Å; I461-Y463 PolarHBondContact O-N 3.03Å; I461-C464 PolarHBondContact O-N 3.28Å; I461-A465 WeakPolarHBondContact O-CB 3.41Å; I461-A465 PolarHBondContact O-N 2.86Å |
| 462 | S | 87.9 | Confident | 82.4 | Confident | 51 Ų | 51 | 86.8 Ų | 86.8 | 36% | 0.357 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 179 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | A458 F459 M460 A465 C466 | A458-S462 VanDerWaalsContact O-CB 3.3Å; A458-S462 WeakPolarHBondContact O-CB 3.27Å; A458-S462 PolarHBondContact O-N 2.89Å; A458-S462 PolarHBondContact O-OG 3.22Å; F459-S462 PolarHBondContact O-N 2.89Å; M460-S462 VanDerWaalsContact C-N 3.33Å; S462-A465 PolarHBondContact O-N 3.48Å; S462-C466 WeakPolarHBondContact O-CB 3.44Å; S462-C466 PolarHBondContact O-N 2.89Å; S462-C466 PolarHBondContact O-SG 3.24Å |
| 463 | Y | 87.7 | Confident | 81.9 | Confident | 52 Ų | 52 | 91.1 Ų | 91.1 | 20% | 0.204 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -62.4 | -48.2 | 174.1 | 177.1 | -106 | 0 | 0 | 0 | 111.8 | N6 L9 I10 F459 M460 I461 A465 C466 R467 | N6-Y463 HydrophobicContact CB-CE2 4.34Å; L9-Y463 HydrophobicContact CB-CD2 4.45Å; I10-Y463 HydrophobicContact CD1-CD2 4.38Å; I10-Y463 HydrophobicContact CD1-CE2 3.73Å; I10-Y463 HydrophobicContact CG1-CD2 3.98Å; I10-Y463 HydrophobicContact CG1-CE2 3.83Å; F459-Y463 VanDerWaalsContact O-CB 3.29Å; F459-Y463 WeakPolarHBondContact O-CB 3.45Å; F459-Y463 PolarHBondContact O-N 3.25Å; M460-Y463 PolarHBondContact O-N 3.06Å; I461-Y463 VanDerWaalsContact C-N 3.34Å; I461-Y463 PolarHBondContact O-N 3.03Å; Y463-A465 PolarHBondContact O-N 3.46Å; Y463-C466 PolarHBondContact O-N 3.37Å; Y463-R467 WeakPolarHBondContact O-CB 3.32Å; Y463-R467 PolarHBondContact O-N 3.42Å |
| 464 | C | 85.8 | Confident | 81.3 | Confident | 74 Ų | 74 | 92.4 Ų | 92.4 | 50% | 0.5 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 176.9 | -71.1 | 0 | 0 | 0 | 0 | 112.3 | M460 I461 R467 S468 | M460-C464 WeakPolarHBondContact O-CB 3.32Å; M460-C464 PolarHBondContact O-N 2.97Å; M460-C464 PolarHBondContact O-SG 3.44Å; I461-C464 PolarHBondContact O-N 3.28Å; C464-R467 PolarHBondContact O-N 3.47Å; C464-S468 WeakPolarHBondContact O-CB 3.29Å; C464-S468 PolarHBondContact O-N 3.24Å |
| 465 | A | 84.8 | Confident | 80.6 | Confident | 51 Ų | 51 | 91.2 Ų | 91.2 | 42% | 0.421 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.2 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I461 S462 Y463 S468 K469 | I461-A465 WeakPolarHBondContact O-CB 3.41Å; I461-A465 PolarHBondContact O-N 2.86Å; S462-A465 PolarHBondContact O-N 3.48Å; Y463-A465 PolarHBondContact O-N 3.46Å; A465-S468 PolarHBondContact O-N 3.26Å; A465-K469 PolarHBondContact O-N 2.94Å; A465-K469 VanDerWaalsContact O-N 3.13Å |
| 466 | C | 80.5 | Confident | 79.8 | Confident | 36 Ų | 36 | 93.1 Ų | 93.1 | 24% | 0.243 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 175.7 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | L9 S462 Y463 K469 N470 | L9-C466 HydrophobicContact CD1-CB 4.34Å; S462-C466 WeakPolarHBondContact O-CB 3.44Å; S462-C466 PolarHBondContact O-N 2.89Å; S462-C466 PolarHBondContact O-SG 3.24Å; Y463-C466 PolarHBondContact O-N 3.37Å; C466-K469 PolarHBondContact O-N 3.42Å; C466-N470 PolarHBondContact O-N 2.97Å |
| 467 | R | 78.2 | Confident | 79 | Confident | 167 Ų | 167 | 93.6 Ų | 93.6 | 63% | 0.63 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.5 | -38.3 | 176.6 | -164.1 | 176.7 | -178.2 | 177.4 | 1.7 | 112.4 | Y463 C464 N470 G471 | Y463-R467 WeakPolarHBondContact O-CB 3.32Å; Y463-R467 PolarHBondContact O-N 3.42Å; C464-R467 PolarHBondContact O-N 3.47Å; R467-N470 PolarHBondContact O-N 3.1Å; R467-G471 PolarHBondContact O-N 2.94Å |
| 468 | S | 72.7 | Confident | 78 | Confident | 86 Ų | 86 | 95.3 Ų | 95.3 | 60% | 0.601 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.2 | -35.1 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 112.9 | C464 A465 | C464-S468 WeakPolarHBondContact O-CB 3.29Å; C464-S468 PolarHBondContact O-N 3.24Å; A465-S468 PolarHBondContact O-N 3.26Å |
| 469 | K | 67.1 | Low | 76.9 | Confident | 173 Ų | 173 | 98.5 Ų | 98.5 | 75% | 0.752 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.8 | -31.7 | 175.2 | -78.7 | -175.8 | 176.9 | -179.5 | 0 | 113.9 | A465 C466 | A465-K469 PolarHBondContact O-N 2.94Å; A465-K469 VanDerWaalsContact O-N 3.13Å; C466-K469 PolarHBondContact O-N 3.42Å |
| 470 | N | 60 | Low | 75.7 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 64% | 0.642 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -86.2 | -5.8 | 179.4 | -71 | -12.5 | 0 | 0 | 0 | 114 | C466 R467 | C466-N470 PolarHBondContact O-N 2.97Å; R467-N470 PolarHBondContact O-N 3.1Å |
| 471 | G | 54.9 | Low | 74.5 | Confident | 68 Ų | 68 | 103.4 Ų | 103.4 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 14.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R467 | R467-G471 PolarHBondContact O-N 2.94Š|
| 472 | K | 44 | Very low | 73 | Confident | 255 Ų | 255 | 103 Ų | 103 | 100% | 1.109 | 56% | 0.56 | S | S | * | * | trans | -108.5 | 0 | 171.8 | -83.7 | -170.9 | 176.8 | -176.7 | 0 | 111 |
Retrieved 472 of 472 residues in 211.5 ms
(Link to these results)