| 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 | 53.6 | Low | 80.6 | Confident | 183 Ų | 183 | 58.9 Ų | 58.9 | 90% | 0.901 | 33% | 0.326 | S | S | * | . | 0 | 173.9 | 0 | -59.4 | -175.1 | -153.9 | 0 | 0 | 107.9 | V35 | M1-V35 HydrophobicContact CE-CG1 3.92Š| |||
| 2 | D | 73 | Confident | 81.6 | Confident | 96 Ų | 96 | 61.9 Ų | 61.9 | 51% | 0.513 | 34% | 0.341 | S | S | . | . | trans | -67 | 126.4 | 162.1 | -179.1 | -29.2 | 0 | 0 | 0 | 108.6 | T4 A5 C6 | D2-T4 VanDerWaalsContact C-N 3.3Å; D2-T4 PolarHBondContact O-N 3.1Å; D2-T4 WeakPolarHBondContact OD1-CA 3.44Å; D2-T4 WeakPolarHBondContact OD1-CB 3.48Å; D2-T4 PolarHBondContact OD1-N 2.99Å; D2-T4 PolarHBondContact OD1-OG1 3.4Å; D2-T4 PolarHBondContact OD2-OG1 3.14Å; D2-A5 HydrophobicContact CB-CB 3.98Å; D2-A5 WeakPolarHBondContact O-CB 3.1Å; D2-A5 PolarHBondContact O-N 3.39Å; D2-A5 PolarHBondContact OD1-N 3.02Å; D2-C6 PolarHBondContact O-N 3.4Å | ||
| 3 | S | 71.7 | Confident | 82.4 | Confident | 50 Ų | 50 | 57.4 Ų | 57.4 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 179.9 | 41.5 | 0 | 0 | 0 | 0 | 112.5 | A5 C6 L7 | S3-A5 VanDerWaalsContact C-N 3.29Å; S3-A5 PolarHBondContact O-N 2.81Å; S3-C6 PolarHBondContact O-N 3.33Å; S3-L7 PolarHBondContact O-N 3.16Å; S3-L7 VanDerWaalsContact O-N 3.16Å |
| 4 | T | 78.5 | Confident | 83.1 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 30% | 0.301 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70 | -28.7 | 179.4 | 75.6 | 0 | 0 | 0 | 0 | 111.9 | D2 K8 | D2-T4 VanDerWaalsContact C-N 3.3Å; D2-T4 PolarHBondContact O-N 3.1Å; D2-T4 WeakPolarHBondContact OD1-CA 3.44Å; D2-T4 WeakPolarHBondContact OD1-CB 3.48Å; D2-T4 PolarHBondContact OD1-N 2.99Å; D2-T4 PolarHBondContact OD1-OG1 3.4Å; D2-T4 PolarHBondContact OD2-OG1 3.14Å; T4-K8 VanDerWaalsContact O-CG 3.31Å; T4-K8 WeakPolarHBondContact O-CG 3.47Å; T4-K8 PolarHBondContact O-N 3.17Å |
| 5 | A | 82.8 | Confident | 83.5 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 41% | 0.413 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.4 | -41.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D2 S3 K8 S9 | D2-A5 HydrophobicContact CB-CB 3.98Å; D2-A5 WeakPolarHBondContact O-CB 3.1Å; D2-A5 PolarHBondContact O-N 3.39Å; D2-A5 PolarHBondContact OD1-N 3.02Å; S3-A5 VanDerWaalsContact C-N 3.29Å; S3-A5 PolarHBondContact O-N 2.81Å; A5-K8 PolarHBondContact O-N 3.11Å; A5-S9 PolarHBondContact O-N 3.5Å; A5-S9 PolarHBondContact O-OG 3.08Å |
| 6 | C | 84.3 | Confident | 84 | Confident | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.034 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62 | -43.5 | 175.5 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | D2 S3 S9 L10 I36 | D2-C6 PolarHBondContact O-N 3.4Å; S3-C6 PolarHBondContact O-N 3.33Å; C6-S9 PolarHBondContact O-N 3.42Å; C6-S9 PolarHBondContact O-OG 3.38Å; C6-L10 WeakPolarHBondContact O-CB 3.43Å; C6-L10 PolarHBondContact O-N 3Å; C6-I36 HydrophobicContact CB-CD1 4.31Å; C6-I36 HydrophobicContact CB-CG1 4.04Å |
| 7 | L | 85.5 | Confident | 84.4 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 175.8 | -69.6 | 178.2 | 0 | 0 | 0 | 111.9 | S3 L10 L11 L44 F45 L51 | S3-L7 PolarHBondContact O-N 3.16Å; S3-L7 VanDerWaalsContact O-N 3.16Å; L7-L10 PolarHBondContact O-N 2.64Å; L7-L11 PolarHBondContact O-N 3.43Å; L7-L44 HydrophobicContact CD1-CD2 3.86Å; L7-L44 HydrophobicContact CD2-CD2 4.08Å; L7-L44 HydrophobicContact CG-CD2 3.88Å; L7-F45 HydrophobicContact CD2-CD1 4.5Å; L7-F45 HydrophobicContact CD2-CE1 3.7Å; L7-F45 HydrophobicContact CD2-CE2 4.03Å; L7-F45 HydrophobicContact CD2-CZ 3.41Å; L7-F45 VanDerWaalsContact CD2-CZ 3.41Å; L7-L51 HydrophobicContact CB-CD2 3.76Å; L7-L51 HydrophobicContact CB-CG 3.96Å; L7-L51 HydrophobicContact CD1-CD2 4.1Å; L7-L51 HydrophobicContact CD1-CG 4.22Å |
| 8 | K | 87.6 | Confident | 84.6 | Confident | 128 Ų | 128 | 53.4 Ų | 53.4 | 56% | 0.557 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.3 | -39.4 | 177.7 | -74.3 | 169.1 | -176.6 | 168.8 | 0 | 112.9 | T4 A5 L12 L51 | T4-K8 VanDerWaalsContact O-CG 3.31Å; T4-K8 WeakPolarHBondContact O-CG 3.47Å; T4-K8 PolarHBondContact O-N 3.17Å; A5-K8 PolarHBondContact O-N 3.11Å; K8-L12 PolarHBondContact O-N 3.27Å; K8-L12 VanDerWaalsContact O-N 3.1Å; K8-L51 HydrophobicContact CG-CD1 4.15Å; K8-L51 HydrophobicContact CG-CD2 3.98Å |
| 9 | S | 89.1 | Confident | 84.8 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -74.9 | -31.1 | 177 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | A5 C6 T13 H32 | A5-S9 PolarHBondContact O-N 3.5Å; A5-S9 PolarHBondContact O-OG 3.08Å; C6-S9 PolarHBondContact O-N 3.42Å; C6-S9 PolarHBondContact O-OG 3.38Å; S9-T13 WeakPolarHBondContact O-CG2 3.49Å; S9-T13 PolarHBondContact O-N 3.1Å; S9-T13 PolarHBondContact O-OG1 3.42Å; S9-T13 VanDerWaalsContact O-OG1 3.05Å; S9-H32 PolarHBondContact OG-CD2 3.44Å; S9-H32 PolarHBondContact OG-NE2 3.32Å |
| 10 | L | 89.9 | Confident | 85 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.6 | -52 | 167.3 | 177.2 | 65.6 | 0 | 0 | 0 | 111 | C6 L7 L12 T13 I14 L29 H32 L33 I36 L59 | C6-L10 WeakPolarHBondContact O-CB 3.43Å; C6-L10 PolarHBondContact O-N 3Å; L7-L10 PolarHBondContact O-N 2.64Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 2.8Å; L10-T13 PolarHBondContact O-N 3.26Å; L10-T13 VanDerWaalsContact O-N 3.07Å; L10-T13 PolarHBondContact O-OG1 3.42Å; L10-I14 HydrophobicContact CD1-CD1 4.07Å; L10-I14 HydrophobicContact CD1-CG1 4.25Å; L10-I14 HydrophobicContact CD2-CD1 4.45Å; L10-I14 HydrophobicContact CG-CD1 3.87Å; L10-I14 HydrophobicContact CG-CG1 4.45Å; L10-I14 WeakPolarHBondContact O-CG1 3.48Å; L10-I14 PolarHBondContact O-N 3.09Å; L10-L29 HydrophobicContact CD1-CD1 3.64Å; L10-H32 HydrophobicContact CD1-CB 4.13Å; L10-L33 HydrophobicContact CD1-CD2 3.8Å; L10-L33 HydrophobicContact CD1-CG 4.14Å; L10-I36 HydrophobicContact CB-CD1 3.68Å; L10-I36 HydrophobicContact CD2-CD1 3.67Å; L10-I36 HydrophobicContact CG-CD1 4.15Å; L10-L59 HydrophobicContact CD2-CD1 4.4Å |
| 11 | L | 91 | Very high | 85.1 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 25% | 0.246 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.2 | -42.6 | 179.6 | -163.1 | 84.9 | 0 | 0 | 0 | 112.3 | L7 I14 S15 E54 C58 | L7-L11 PolarHBondContact O-N 3.43Å; L11-I14 PolarHBondContact O-N 3.27Å; L11-S15 PolarHBondContact O-N 3.39Å; L11-S15 PolarHBondContact O-OG 3.42Å; L11-E54 HydrophobicContact CD1-CB 4.45Å; L11-E54 HydrophobicContact CD1-CG 3.93Å; L11-E54 HydrophobicContact CD2-CG 4.39Å; L11-C58 HydrophobicContact CD1-CB 4.17Å |
| 12 | L | 92.1 | Very high | 86.8 | Confident | 95 Ų | 95 | 51.4 Ų | 51.4 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.2 | -41.8 | 175.5 | -177.8 | 61.4 | 0 | 0 | 0 | 112.3 | K8 L10 S15 Q16 | K8-L12 PolarHBondContact O-N 3.27Å; K8-L12 VanDerWaalsContact O-N 3.1Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 2.8Å; L12-S15 PolarHBondContact O-N 3.24Å; L12-S15 PolarHBondContact O-OG 2.69Å; L12-Q16 HydrophobicContact CD1-CG 4.49Å; L12-Q16 WeakPolarHBondContact O-CB 3.34Å; L12-Q16 VanDerWaalsContact O-CG 3.22Å; L12-Q16 WeakPolarHBondContact O-CG 3.46Å; L12-Q16 PolarHBondContact O-N 3.13Å |
| 13 | T | 92.4 | Very high | 87.5 | Confident | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.1 | -31.9 | 179.1 | 52 | 0 | 0 | 0 | 0 | 113.2 | S9 L10 Y17 Q28 | S9-T13 WeakPolarHBondContact O-CG2 3.49Å; S9-T13 PolarHBondContact O-N 3.1Å; S9-T13 PolarHBondContact O-OG1 3.42Å; S9-T13 VanDerWaalsContact O-OG1 3.05Å; L10-T13 PolarHBondContact O-N 3.26Å; L10-T13 VanDerWaalsContact O-N 3.07Å; L10-T13 PolarHBondContact O-OG1 3.42Å; T13-Y17 WeakPolarHBondContact O-CB 3.27Å; T13-Y17 PolarHBondContact O-N 3.25Å; T13-Q28 HydrophobicContact CG2-CG 3.78Å |
| 14 | I | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.3 | -50.6 | 170.5 | -66.7 | 166.1 | 0 | 0 | 0 | 110.5 | L10 L11 Q16 Y17 K18 L29 C58 L59 L62 | L10-I14 HydrophobicContact CD1-CD1 4.07Å; L10-I14 HydrophobicContact CD1-CG1 4.25Å; L10-I14 HydrophobicContact CD2-CD1 4.45Å; L10-I14 HydrophobicContact CG-CD1 3.87Å; L10-I14 HydrophobicContact CG-CG1 4.45Å; L10-I14 WeakPolarHBondContact O-CG1 3.48Å; L10-I14 PolarHBondContact O-N 3.09Å; L11-I14 PolarHBondContact O-N 3.27Å; I14-Q16 VanDerWaalsContact C-N 3.33Å; I14-Q16 PolarHBondContact O-N 3.08Å; I14-Y17 PolarHBondContact O-N 3.2Å; I14-K18 HydrophobicContact CG2-CD 4.24Å; I14-K18 HydrophobicContact CG2-CG 4.39Å; I14-K18 WeakPolarHBondContact O-CG 3.33Å; I14-K18 PolarHBondContact O-N 3.49Å; I14-L29 HydrophobicContact CG1-CD1 3.65Å; I14-L29 HydrophobicContact CG1-CD2 4.46Å; I14-C58 HydrophobicContact CD1-CB 4.18Å; I14-C58 HydrophobicContact CG2-CB 4.01Å; I14-L59 HydrophobicContact CD1-CD2 3.66Å; I14-L59 HydrophobicContact CD1-CG 3.9Å; I14-L59 HydrophobicContact CG1-CD2 4.44Å; I14-L62 HydrophobicContact CG2-CD1 3.86Å |
| 15 | S | 89.4 | Confident | 88.8 | Confident | 62 Ų | 62 | 54.7 Ų | 54.7 | 43% | 0.434 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 179.1 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | L11 L12 K18 A19 | L11-S15 PolarHBondContact O-N 3.39Å; L11-S15 PolarHBondContact O-OG 3.42Å; L12-S15 PolarHBondContact O-N 3.24Å; L12-S15 PolarHBondContact O-OG 2.69Å; S15-K18 PolarHBondContact O-N 3.4Å; S15-A19 WeakPolarHBondContact O-CB 3.38Å; S15-A19 PolarHBondContact O-N 3.4Å |
| 16 | Q | 90.9 | Very high | 89.1 | Confident | 70 Ų | 70 | 52.9 Ų | 52.9 | 33% | 0.327 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 172.7 | -74.3 | 170.6 | -13.8 | 0 | 0 | 112.8 | L12 I14 V20 N25 | L12-Q16 HydrophobicContact CD1-CG 4.49Å; L12-Q16 WeakPolarHBondContact O-CB 3.34Å; L12-Q16 VanDerWaalsContact O-CG 3.22Å; L12-Q16 WeakPolarHBondContact O-CG 3.46Å; L12-Q16 PolarHBondContact O-N 3.13Å; I14-Q16 VanDerWaalsContact C-N 3.33Å; I14-Q16 PolarHBondContact O-N 3.08Å; Q16-V20 PolarHBondContact O-N 3.43Å; Q16-N25 PolarHBondContact O-ND2 3.29Å |
| 17 | Y | 91.3 | Very high | 89.5 | Confident | 15 Ų | 15 | 55.3 Ų | 55.3 | 6% | 0.059 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71 | -41.5 | 175.6 | -178.9 | -98 | 0 | 0 | 0 | 112.7 | T13 I14 A19 V20 K21 N25 A26 L29 L62 L72 | T13-Y17 WeakPolarHBondContact O-CB 3.27Å; T13-Y17 PolarHBondContact O-N 3.25Å; I14-Y17 PolarHBondContact O-N 3.2Å; Y17-A19 VanDerWaalsContact C-N 3.3Å; Y17-A19 PolarHBondContact O-N 3.44Å; Y17-V20 CarbonylContact O-C 3.59Å; Y17-V20 PolarHBondContact O-N 3.37Å; Y17-K21 HydrophobicContact CE1-CG 4.41Å; Y17-K21 HydrophobicContact CE2-CB 4.37Å; Y17-K21 PolarHBondContact O-N 3.41Å; Y17-N25 HydrophobicContact CD2-CB 4.09Å; Y17-A26 HydrophobicContact CD2-CB 4.29Å; Y17-A26 HydrophobicContact CE2-CB 3.91Å; Y17-L29 HydrophobicContact CD1-CD2 4.36Å; Y17-L29 HydrophobicContact CG-CD2 4.23Å; Y17-L62 HydrophobicContact CD1-CD1 3.79Å; Y17-L62 HydrophobicContact CE1-CD1 4.32Å; Y17-L72 HydrophobicContact CD2-CD1 4.38Å; Y17-L72 HydrophobicContact CE1-CD1 3.93Å; Y17-L72 HydrophobicContact CE2-CD1 3.77Å; Y17-L72 VanDerWaalsContact CZ-CD1 3.5Å |
| 18 | K | 87.7 | Confident | 89.8 | Confident | 68 Ų | 68 | 59.1 Ų | 59.1 | 30% | 0.296 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58.8 | -41.2 | 172.9 | -73.5 | -176.9 | 179.4 | -179 | 0 | 111.7 | I14 S15 E61 L62 | I14-K18 HydrophobicContact CG2-CD 4.24Å; I14-K18 HydrophobicContact CG2-CG 4.39Å; I14-K18 WeakPolarHBondContact O-CG 3.33Å; I14-K18 PolarHBondContact O-N 3.49Å; S15-K18 PolarHBondContact O-N 3.4Å; K18-E61 VanDerWaalsContact CE-OE1 3.31Å; K18-E61 WeakPolarHBondContact CE-OE1 3.37Å; K18-E61 IonicContact NZ-OE1 3.86Å; K18-E61 PolarHBondContact NZ-OE1 3.32Å; K18-E61 IonicContact NZ-OE2 3.82Å; K18-E61 PolarHBondContact NZ-OE2 2.91Å; K18-L62 HydrophobicContact CG-CD1 4.36Å |
| 19 | A | 88.6 | Confident | 90.1 | Very high | 82 Ų | 82 | 53 Ų | 53 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -71.5 | -39.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S15 Y17 | S15-A19 WeakPolarHBondContact O-CB 3.38Å; S15-A19 PolarHBondContact O-N 3.4Å; Y17-A19 VanDerWaalsContact C-N 3.3Å; Y17-A19 PolarHBondContact O-N 3.44Å |
| 20 | V | 88.6 | Confident | 90.2 | Very high | 86 Ų | 86 | 53.2 Ų | 53.2 | 52% | 0.521 | 30% | 0.3 | S | S | . | . | trans | -141.8 | 106.4 | 178.7 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | Q16 Y17 S22 N25 | Q16-V20 PolarHBondContact O-N 3.43Å; Y17-V20 CarbonylContact O-C 3.59Å; Y17-V20 PolarHBondContact O-N 3.37Å; V20-S22 PolarHBondContact O-N 3.41Å; V20-N25 PolarHBondContact O-ND2 3.4Å | ||
| 21 | K | 88.1 | Confident | 90.3 | Very high | 94 Ų | 94 | 60.9 Ų | 60.9 | 41% | 0.409 | 33% | 0.329 | S | S | . | . | trans | -75.7 | 65 | 178.2 | -62.2 | -179.6 | -176.2 | 176.9 | 0 | 112.2 | Y17 D65 | Y17-K21 HydrophobicContact CE1-CG 4.41Å; Y17-K21 HydrophobicContact CE2-CB 4.37Å; Y17-K21 PolarHBondContact O-N 3.41Å; K21-D65 VanDerWaalsContact CE-OD2 3.32Å; K21-D65 WeakPolarHBondContact CE-OD2 3.49Å; K21-D65 IonicContact NZ-OD1 3.94Å; K21-D65 PolarHBondContact NZ-OD1 3.42Å; K21-D65 IonicContact NZ-OD2 2.87Å; K21-D65 PolarHBondContact NZ-OD2 3.26Å | ||
| 22 | S | 88.4 | Confident | 90.2 | Very high | 40 Ų | 40 | 60.8 Ų | 60.8 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | trans | -97.3 | 154.2 | 176.4 | 73.5 | 0 | 0 | 0 | 0 | 112.5 | V20 A24 N25 A26 | V20-S22 PolarHBondContact O-N 3.41Å; S22-A24 VanDerWaalsContact C-N 3.25Å; S22-A24 PolarHBondContact O-N 3.42Å; S22-N25 PolarHBondContact O-N 3.31Å; S22-N25 WeakPolarHBondContact OG-CB 3.38Å; S22-N25 PolarHBondContact OG-N 3.07Å; S22-N25 VanDerWaalsContact OG-N 3.14Å; S22-N25 PolarHBondContact OG-ND2 3.32Å; S22-A26 PolarHBondContact O-N 3.17Å | ||
| 23 | E | 87 | Confident | 90 | Very high | 166 Ų | 166 | 56.4 Ų | 56.4 | 78% | 0.776 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.4 | -33.5 | 174.8 | -174.2 | 178.8 | -169 | 0 | 0 | 112.4 | A26 T27 | E23-A26 PolarHBondContact O-N 3.19Å; E23-T27 WeakPolarHBondContact O-CB 3.41Å; E23-T27 PolarHBondContact O-N 3.31Å; E23-T27 PolarHBondContact O-OG1 3.33Å |
| 24 | A | 88.6 | Confident | 89.8 | Confident | 67 Ų | 67 | 63.1 Ų | 63.1 | 55% | 0.554 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.9 | -46.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S22 T27 Q28 | S22-A24 VanDerWaalsContact C-N 3.25Å; S22-A24 PolarHBondContact O-N 3.42Å; A24-T27 PolarHBondContact O-N 3.34Å; A24-Q28 WeakPolarHBondContact O-CB 3.33Å; A24-Q28 PolarHBondContact O-N 2.65Å |
| 25 | N | 89.8 | Confident | 89.6 | Confident | 31 Ų | 31 | 66 Ų | 66 | 17% | 0.166 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.6 | -39.9 | 177.3 | -68.4 | -8.8 | 0 | 0 | 0 | 111.6 | Q16 Y17 V20 S22 Q28 L29 | Q16-N25 PolarHBondContact O-ND2 3.29Å; Y17-N25 HydrophobicContact CD2-CB 4.09Å; V20-N25 PolarHBondContact O-ND2 3.4Å; S22-N25 PolarHBondContact O-N 3.31Å; S22-N25 WeakPolarHBondContact OG-CB 3.38Å; S22-N25 PolarHBondContact OG-N 3.07Å; S22-N25 VanDerWaalsContact OG-N 3.14Å; S22-N25 PolarHBondContact OG-ND2 3.32Å; N25-Q28 PolarHBondContact O-N 2.99Å; N25-L29 WeakPolarHBondContact O-CB 3.37Å; N25-L29 PolarHBondContact O-N 3.33Å |
| 26 | A | 89.8 | Confident | 89.3 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.6 | -46.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y17 S22 E23 Q28 L29 L30 L72 | Y17-A26 HydrophobicContact CD2-CB 4.29Å; Y17-A26 HydrophobicContact CE2-CB 3.91Å; S22-A26 PolarHBondContact O-N 3.17Å; E23-A26 PolarHBondContact O-N 3.19Å; A26-Q28 VanDerWaalsContact C-N 3.34Å; A26-Q28 PolarHBondContact O-N 2.94Å; A26-L29 PolarHBondContact O-N 3.49Å; A26-L30 WeakPolarHBondContact O-CB 3.48Å; A26-L30 VanDerWaalsContact O-CG 3.3Å; A26-L30 WeakPolarHBondContact O-CG 3.49Å; A26-L30 PolarHBondContact O-N 2.96Å; A26-L72 HydrophobicContact CB-CD1 3.96Å |
| 27 | T | 91.8 | Very high | 88.9 | Confident | 55 Ų | 55 | 61.6 Ų | 61.6 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | E23 A24 R31 | E23-T27 WeakPolarHBondContact O-CB 3.41Å; E23-T27 PolarHBondContact O-N 3.31Å; E23-T27 PolarHBondContact O-OG1 3.33Å; A24-T27 PolarHBondContact O-N 3.34Å; T27-R31 WeakPolarHBondContact O-CG 3.46Å; T27-R31 PolarHBondContact O-N 3.08Å |
| 28 | Q | 91.8 | Very high | 88.1 | Confident | 83 Ų | 83 | 64.3 Ų | 64.3 | 39% | 0.388 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 176.7 | -170.1 | 175.4 | -34.5 | 0 | 0 | 112 | T13 A24 N25 A26 H32 | T13-Q28 HydrophobicContact CG2-CG 3.78Å; A24-Q28 WeakPolarHBondContact O-CB 3.33Å; A24-Q28 PolarHBondContact O-N 2.65Å; N25-Q28 PolarHBondContact O-N 2.99Å; A26-Q28 VanDerWaalsContact C-N 3.34Å; A26-Q28 PolarHBondContact O-N 2.94Å; Q28-H32 PolarHBondContact O-N 3.36Å; Q28-H32 PolarHBondContact O-ND1 3.36Å |
| 29 | L | 92.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 175.2 | 177.6 | 54.3 | 0 | 0 | 0 | 111.8 | L10 I14 Y17 N25 A26 R31 H32 L33 L62 L72 | L10-L29 HydrophobicContact CD1-CD1 3.64Å; I14-L29 HydrophobicContact CG1-CD1 3.65Å; I14-L29 HydrophobicContact CG1-CD2 4.46Å; Y17-L29 HydrophobicContact CD1-CD2 4.36Å; Y17-L29 HydrophobicContact CG-CD2 4.23Å; N25-L29 WeakPolarHBondContact O-CB 3.37Å; N25-L29 PolarHBondContact O-N 3.33Å; A26-L29 PolarHBondContact O-N 3.49Å; L29-R31 VanDerWaalsContact C-N 3.33Å; L29-R31 PolarHBondContact O-N 3.44Å; L29-H32 PolarHBondContact O-N 3.28Å; L29-L33 HydrophobicContact CD1-CD1 4.38Å; L29-L33 HydrophobicContact CD1-CG 4.32Å; L29-L33 HydrophobicContact CG-CD1 4.23Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.42Å; L29-L62 HydrophobicContact CD2-CD1 4.28Å; L29-L72 HydrophobicContact CB-CD2 4.19Å; L29-L72 HydrophobicContact CD2-CD1 4.46Å; L29-L72 HydrophobicContact CD2-CD2 3.74Å; L29-L72 HydrophobicContact CG-CD2 3.79Å |
| 30 | L | 92.6 | Very high | 86.4 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 22% | 0.22 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -53.9 | -46.4 | 175.7 | -75.5 | 168.4 | 0 | 0 | 0 | 112.2 | A26 H32 L33 E34 L72 S75 | A26-L30 WeakPolarHBondContact O-CB 3.48Å; A26-L30 VanDerWaalsContact O-CG 3.3Å; A26-L30 WeakPolarHBondContact O-CG 3.49Å; A26-L30 PolarHBondContact O-N 2.96Å; L30-H32 VanDerWaalsContact C-N 3.29Å; L30-H32 PolarHBondContact O-N 3.37Å; L30-L33 PolarHBondContact O-N 3.12Å; L30-E34 WeakPolarHBondContact O-CB 3.28Å; L30-E34 PolarHBondContact O-N 3.33Å; L30-L72 HydrophobicContact CD2-CD2 3.79Å; L30-L72 HydrophobicContact CD2-CG 4.31Å; L30-L72 HydrophobicContact CG-CD2 3.76Å; L30-L72 HydrophobicContact CG-CG 4.36Å; L30-S75 VanDerWaalsContact CD2-OG 3.26Å; L30-S75 WeakPolarHBondContact CD2-OG 3.46Å |
| 31 | R | 91 | Very high | 85.2 | Confident | 160 Ų | 160 | 65 Ų | 65 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.6 | -34.8 | 176.6 | -72.2 | 172.8 | -177.8 | 171.5 | 3 | 113.2 | T27 L29 V35 | T27-R31 WeakPolarHBondContact O-CG 3.46Å; T27-R31 PolarHBondContact O-N 3.08Å; L29-R31 VanDerWaalsContact C-N 3.33Å; L29-R31 PolarHBondContact O-N 3.44Å; R31-V35 WeakPolarHBondContact O-CB 3.37Å; R31-V35 VanDerWaalsContact O-CG2 3.23Å; R31-V35 WeakPolarHBondContact O-CG2 3.35Å; R31-V35 PolarHBondContact O-N 3.19Å |
| 32 | H | 89.2 | Confident | 83.8 | Confident | 45 Ų | 45 | 64.2 Ų | 64.2 | 21% | 0.208 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -74.3 | -38.7 | 177.6 | -76.9 | 84 | 0 | 0 | 0 | 112.1 | S9 L10 Q28 L29 L30 I36 | S9-H32 PolarHBondContact OG-CD2 3.44Å; S9-H32 PolarHBondContact OG-NE2 3.32Å; L10-H32 HydrophobicContact CD1-CB 4.13Å; Q28-H32 PolarHBondContact O-N 3.36Å; Q28-H32 PolarHBondContact O-ND1 3.36Å; L29-H32 PolarHBondContact O-N 3.28Å; L30-H32 VanDerWaalsContact C-N 3.29Å; L30-H32 PolarHBondContact O-N 3.37Å; H32-I36 WeakPolarHBondContact O-CB 3.4Å; H32-I36 WeakPolarHBondContact O-CG1 3.21Å; H32-I36 PolarHBondContact O-N 3.25Å; H32-I36 VanDerWaalsContact O-N 3.07Å |
| 33 | L | 89.3 | Confident | 82.3 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 172.4 | -67.5 | 168.8 | 0 | 0 | 0 | 111.4 | L10 L29 L30 I36 S37 L59 L72 I76 L79 | L10-L33 HydrophobicContact CD1-CD2 3.8Å; L10-L33 HydrophobicContact CD1-CG 4.14Å; L29-L33 HydrophobicContact CD1-CD1 4.38Å; L29-L33 HydrophobicContact CD1-CG 4.32Å; L29-L33 HydrophobicContact CG-CD1 4.23Å; L29-L33 WeakPolarHBondContact O-CG 3.47Å; L29-L33 PolarHBondContact O-N 3.42Å; L30-L33 PolarHBondContact O-N 3.12Å; L33-I36 PolarHBondContact O-N 3.28Å; L33-S37 VanDerWaalsContact O-CB 3.32Å; L33-S37 WeakPolarHBondContact O-CB 3.41Å; L33-S37 PolarHBondContact O-N 3.21Å; L33-L59 HydrophobicContact CD2-CD2 3.99Å; L33-L72 HydrophobicContact CD1-CD2 4.33Å; L33-I76 HydrophobicContact CD1-CG1 3.73Å; L33-I76 HydrophobicContact CD2-CG1 4.36Å; L33-L79 HydrophobicContact CD2-CD2 3.74Å |
| 34 | E | 88.2 | Confident | 81.1 | Confident | 143 Ų | 143 | 65.9 Ų | 65.9 | 67% | 0.668 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.9 | -48.6 | 177 | -175.1 | 178.4 | -155.4 | 0 | 0 | 112.2 | L30 I36 S37 G38 | L30-E34 WeakPolarHBondContact O-CB 3.28Å; L30-E34 PolarHBondContact O-N 3.33Å; E34-I36 PolarHBondContact O-N 3.46Å; E34-S37 PolarHBondContact O-N 2.97Å; E34-G38 PolarHBondContact O-N 3.5Å |
| 35 | V | 86.2 | Confident | 79.8 | Confident | 61 Ų | 61 | 62.7 Ų | 62.7 | 37% | 0.37 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.4 | -28.3 | 176.7 | 165.3 | 0 | 0 | 0 | 0 | 112.6 | M1 R31 Q39 | M1-V35 HydrophobicContact CE-CG1 3.92Å; R31-V35 WeakPolarHBondContact O-CB 3.37Å; R31-V35 VanDerWaalsContact O-CG2 3.23Å; R31-V35 WeakPolarHBondContact O-CG2 3.35Å; R31-V35 PolarHBondContact O-N 3.19Å; V35-Q39 WeakPolarHBondContact O-CG 3.25Å; V35-Q39 PolarHBondContact O-NE2 3.43Å |
| 36 | I | 83.9 | Confident | 78.4 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -82.5 | -43.7 | 176 | -75.5 | 169.3 | 0 | 0 | 0 | 111.2 | C6 L10 H32 L33 E34 G38 Q39 L41 F45 L79 | C6-I36 HydrophobicContact CB-CD1 4.31Å; C6-I36 HydrophobicContact CB-CG1 4.04Å; L10-I36 HydrophobicContact CB-CD1 3.68Å; L10-I36 HydrophobicContact CD2-CD1 3.67Å; L10-I36 HydrophobicContact CG-CD1 4.15Å; H32-I36 WeakPolarHBondContact O-CB 3.4Å; H32-I36 WeakPolarHBondContact O-CG1 3.21Å; H32-I36 PolarHBondContact O-N 3.25Å; H32-I36 VanDerWaalsContact O-N 3.07Å; L33-I36 PolarHBondContact O-N 3.28Å; E34-I36 PolarHBondContact O-N 3.46Å; I36-G38 PolarHBondContact O-N 3.01Å; I36-Q39 WeakPolarHBondContact O-CB 3.47Å; I36-Q39 PolarHBondContact O-N 2.99Å; I36-L41 HydrophobicContact CG2-CD2 3.65Å; I36-L41 VanDerWaalsContact O-CD2 3.31Å; I36-L41 WeakPolarHBondContact O-CD2 3.22Å; I36-F45 HydrophobicContact CG2-CE2 3.77Å; I36-F45 HydrophobicContact CG2-CZ 3.83Å; I36-L79 HydrophobicContact CG2-CD1 3.98Å; I36-L79 HydrophobicContact CG2-CD2 4.37Å |
| 37 | S | 81.4 | Confident | 76.5 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 26% | 0.259 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -58 | -32.2 | 175.5 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | L33 E34 Q39 Q82 | L33-S37 VanDerWaalsContact O-CB 3.32Å; L33-S37 WeakPolarHBondContact O-CB 3.41Å; L33-S37 PolarHBondContact O-N 3.21Å; E34-S37 PolarHBondContact O-N 2.97Å; S37-Q39 PolarHBondContact O-N 3.11Å; S37-Q82 PolarHBondContact OG-NE2 2.76Å; S37-Q82 PolarHBondContact OG-OE1 3.15Å |
| 38 | G | 76 | Confident | 74.9 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 74% | 0.742 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 3 | 173 | 0 | 0 | 0 | 0 | 0 | 116.3 | E34 I36 | E34-G38 PolarHBondContact O-N 3.5Å; I36-G38 PolarHBondContact O-N 3.01Å |
| 39 | Q | 75.4 | Confident | 73.9 | Confident | 52 Ų | 52 | 69.3 Ų | 69.3 | 24% | 0.243 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -108.2 | 167.1 | -179.1 | -63.2 | 178.7 | 56 | 0 | 0 | 112 | V35 I36 S37 L41 L44 | V35-Q39 WeakPolarHBondContact O-CG 3.25Å; V35-Q39 PolarHBondContact O-NE2 3.43Å; I36-Q39 WeakPolarHBondContact O-CB 3.47Å; I36-Q39 PolarHBondContact O-N 2.99Å; S37-Q39 PolarHBondContact O-N 3.11Å; Q39-L41 VanDerWaalsContact C-N 3.26Å; Q39-L41 PolarHBondContact O-N 3.29Å; Q39-L44 HydrophobicContact CB-CD1 4.02Å |
| 40 | K | 65.4 | Low | 73.2 | Confident | 188 Ų | 188 | 76 Ų | 76 | 82% | 0.817 | 39% | 0.386 | S | S | * | . | trans | -76.6 | 78.2 | 174.9 | -73.4 | -164.7 | 173.8 | -169.8 | 0 | 111.2 | T42 R43 | K40-T42 VanDerWaalsContact C-N 3.33Å; K40-T42 PolarHBondContact O-N 3.06Å; K40-R43 PolarHBondContact O-N 3.12Å | ||
| 41 | L | 62.8 | Low | 72.6 | Confident | 11 Ų | 11 | 75.8 Ų | 75.8 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -50.6 | -40.2 | -172.1 | -67.9 | 170.2 | 0 | 0 | 0 | 115.3 | I36 Q39 R43 L44 F45 L79 Q82 L83 | I36-L41 HydrophobicContact CG2-CD2 3.65Å; I36-L41 VanDerWaalsContact O-CD2 3.31Å; I36-L41 WeakPolarHBondContact O-CD2 3.22Å; Q39-L41 VanDerWaalsContact C-N 3.26Å; Q39-L41 PolarHBondContact O-N 3.29Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 3.44Å; L41-L44 WeakPolarHBondContact O-CA 3.46Å; L41-L44 VanDerWaalsContact O-CB 3.32Å; L41-L44 WeakPolarHBondContact O-CB 3.32Å; L41-L44 PolarHBondContact O-N 3.11Å; L41-F45 HydrophobicContact CB-CD2 4.46Å; L41-F45 HydrophobicContact CD2-CD2 3.89Å; L41-F45 HydrophobicContact CD2-CE2 3.51Å; L41-F45 PolarHBondContact O-N 3.39Å; L41-L79 HydrophobicContact CD1-CD1 3.66Å; L41-L79 HydrophobicContact CD2-CD1 3.68Å; L41-L79 HydrophobicContact CG-CD1 4.34Å; L41-Q82 HydrophobicContact CD1-CB 3.7Å; L41-L83 HydrophobicContact CB-CD2 3.85Å; L41-L83 HydrophobicContact CB-CG 4.49Å; L41-L83 HydrophobicContact CD1-CG 4.35Å |
| 42 | T | 58.7 | Low | 72.1 | Confident | 78 Ų | 78 | 68.2 Ų | 68.2 | 48% | 0.479 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -64.1 | -27.9 | -172 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | K40 D86 | K40-T42 VanDerWaalsContact C-N 3.33Å; K40-T42 PolarHBondContact O-N 3.06Å; T42-D86 HydrophobicContact CG2-CB 4.09Å |
| 43 | R | 57.5 | Low | 71.8 | Confident | 223 Ų | 223 | 67.6 Ų | 67.6 | 84% | 0.842 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -88.7 | -9.4 | 170.9 | -70 | -171.1 | 176.4 | -169.1 | -2.3 | 113.6 | K40 L41 | K40-R43 PolarHBondContact O-N 3.12Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 3.44Å |
| 44 | L | 60.1 | Low | 71.5 | Confident | 17 Ų | 17 | 71.9 Ų | 71.9 | 9% | 0.089 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -39 | -171.9 | -147.9 | 164.3 | 0 | 0 | 0 | 110.6 | L7 Q39 L41 | L7-L44 HydrophobicContact CD1-CD2 3.86Å; L7-L44 HydrophobicContact CD2-CD2 4.08Å; L7-L44 HydrophobicContact CG-CD2 3.88Å; Q39-L44 HydrophobicContact CB-CD1 4.02Å; L41-L44 WeakPolarHBondContact O-CA 3.46Å; L41-L44 VanDerWaalsContact O-CB 3.32Å; L41-L44 WeakPolarHBondContact O-CB 3.32Å; L41-L44 PolarHBondContact O-N 3.11Å |
| 45 | F | 61.8 | Low | 71.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -101.1 | 51.6 | 178.3 | -70.5 | -101.7 | 0 | 0 | 0 | 112.2 | L7 I36 L41 T52 F56 L83 | L7-F45 HydrophobicContact CD2-CD1 4.5Å; L7-F45 HydrophobicContact CD2-CE1 3.7Å; L7-F45 HydrophobicContact CD2-CE2 4.03Å; L7-F45 HydrophobicContact CD2-CZ 3.41Å; L7-F45 VanDerWaalsContact CD2-CZ 3.41Å; I36-F45 HydrophobicContact CG2-CE2 3.77Å; I36-F45 HydrophobicContact CG2-CZ 3.83Å; L41-F45 HydrophobicContact CB-CD2 4.46Å; L41-F45 HydrophobicContact CD2-CD2 3.89Å; L41-F45 HydrophobicContact CD2-CE2 3.51Å; L41-F45 PolarHBondContact O-N 3.39Å; F45-T52 VanDerWaalsContact CA-CG2 3.48Å; F45-T52 HydrophobicContact CB-CG2 3.76Å; F45-T52 HydrophobicContact CD1-CG2 3.69Å; F45-T52 HydrophobicContact CG-CG2 4.1Å; F45-F56 HydrophobicContact CB-CE2 4.14Å; F45-F56 HydrophobicContact CB-CZ 3.87Å; F45-F56 AromaticContact CD1-CE1 3.76Å; F45-F56 HydrophobicContact CD1-CE1 3.76Å; F45-F56 AromaticContact CD1-CE2 3.79Å; F45-F56 HydrophobicContact CD1-CE2 3.79Å; F45-F56 AromaticContact CD1-CZ 3.31Å; F45-F56 HydrophobicContact CD1-CZ 3.31Å; F45-F56 HydrophobicContact CE1-CE1 4.14Å; F45-F56 HydrophobicContact CE1-CZ 4.16Å; F45-F56 HydrophobicContact CG-CE2 4.43Å; F45-F56 AromaticContact CG-CZ 3.91Å; F45-F56 HydrophobicContact CG-CZ 3.91Å; F45-L83 HydrophobicContact CB-CD2 3.71Å; F45-L83 HydrophobicContact CD2-CD2 3.94Å; F45-L83 HydrophobicContact CG-CD2 3.85Å |
| 46 | T | 59.8 | Low | 71.3 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 31% | 0.307 | 33% | 0.329 | S | S | . | . | trans | -69.3 | 134.6 | 171.3 | 43.3 | 0 | 0 | 0 | 0 | 110.6 | N48 Q49 | T46-N48 PolarHBondContact O-N 3.43Å; T46-Q49 PolarHBondContact O-N 3.05Å; T46-Q49 PolarHBondContact OG1-NE2 2.85Å | ||
| 47 | S | 51.9 | Low | 71.5 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 25% | 0.252 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -37.1 | -174.8 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | Q49 E88 | S47-Q49 PolarHBondContact O-N 3.38Å; S47-Q49 VanDerWaalsContact O-N 3.14Å; S47-E88 VanDerWaalsContact CB-OE1 3.25Å; S47-E88 WeakPolarHBondContact CB-OE1 3.43Å; S47-E88 PolarHBondContact OG-OE1 3.1Å |
| 48 | N | 56.4 | Low | 71.8 | Confident | 150 Ų | 150 | 63.5 Ų | 63.5 | 80% | 0.802 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 2.1 | -172.4 | -61.3 | -46.7 | 0 | 0 | 0 | 115.2 | T46 | T46-N48 PolarHBondContact O-N 3.43Š|
| 49 | Q | 71.3 | Confident | 72.4 | Confident | 85 Ų | 85 | 60.1 Ų | 60.1 | 40% | 0.397 | 30% | 0.301 | S | S | . | . | trans | -106.7 | 118.7 | -179.7 | -62.1 | -171.5 | 39.2 | 0 | 0 | 111.6 | T46 S47 L51 T52 S53 | T46-Q49 PolarHBondContact O-N 3.05Å; T46-Q49 PolarHBondContact OG1-NE2 2.85Å; S47-Q49 PolarHBondContact O-N 3.38Å; S47-Q49 VanDerWaalsContact O-N 3.14Å; Q49-L51 PolarHBondContact O-N 2.86Å; Q49-L51 VanDerWaalsContact O-N 3.14Å; Q49-T52 WeakPolarHBondContact O-CA 3.39Å; Q49-T52 VanDerWaalsContact O-CB 3.22Å; Q49-T52 WeakPolarHBondContact O-CB 3.28Å; Q49-T52 PolarHBondContact O-N 3.42Å; Q49-S53 PolarHBondContact O-N 2.83Å | ||
| 50 | I | 78.3 | Confident | 73.1 | Confident | 141 Ų | 141 | 58 Ų | 58 | 72% | 0.723 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -53.8 | -37.6 | -177.7 | -173.6 | 60.2 | 0 | 0 | 0 | 113.7 | T52 S53 E54 | I50-T52 VanDerWaalsContact C-N 3.34Å; I50-T52 PolarHBondContact O-N 3.27Å; I50-S53 PolarHBondContact O-N 2.68Å; I50-E54 PolarHBondContact O-N 2.84Å |
| 51 | L | 80.9 | Confident | 74.2 | Confident | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 177 | 178.8 | 62.7 | 0 | 0 | 0 | 112.3 | L7 K8 Q49 C55 | L7-L51 HydrophobicContact CB-CD2 3.76Å; L7-L51 HydrophobicContact CB-CG 3.96Å; L7-L51 HydrophobicContact CD1-CD2 4.1Å; L7-L51 HydrophobicContact CD1-CG 4.22Å; K8-L51 HydrophobicContact CG-CD1 4.15Å; K8-L51 HydrophobicContact CG-CD2 3.98Å; Q49-L51 PolarHBondContact O-N 2.86Å; Q49-L51 VanDerWaalsContact O-N 3.14Å; L51-C55 WeakPolarHBondContact O-CB 3.16Å; L51-C55 PolarHBondContact O-N 3.03Å; L51-C55 PolarHBondContact O-SG 3.35Å; L51-C55 VanDerWaalsContact O-SG 3.32Å |
| 52 | T | 80.3 | Confident | 75.5 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | F45 Q49 I50 C55 F56 | F45-T52 VanDerWaalsContact CA-CG2 3.48Å; F45-T52 HydrophobicContact CB-CG2 3.76Å; F45-T52 HydrophobicContact CD1-CG2 3.69Å; F45-T52 HydrophobicContact CG-CG2 4.1Å; Q49-T52 WeakPolarHBondContact O-CA 3.39Å; Q49-T52 VanDerWaalsContact O-CB 3.22Å; Q49-T52 WeakPolarHBondContact O-CB 3.28Å; Q49-T52 PolarHBondContact O-N 3.42Å; I50-T52 VanDerWaalsContact C-N 3.34Å; I50-T52 PolarHBondContact O-N 3.27Å; T52-C55 PolarHBondContact O-N 3.06Å; T52-F56 HydrophobicContact CG2-CD2 4.02Å; T52-F56 HydrophobicContact CG2-CE2 3.68Å; T52-F56 WeakPolarHBondContact O-CD2 3.43Å; T52-F56 PolarHBondContact O-N 3.17Å |
| 53 | S | 81.8 | Confident | 77 | Confident | 33 Ų | 33 | 50.1 Ų | 50.1 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 179.1 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | Q49 I50 C55 F56 S57 Y97 | Q49-S53 PolarHBondContact O-N 2.83Å; I50-S53 PolarHBondContact O-N 2.68Å; S53-C55 PolarHBondContact O-N 3.25Å; S53-F56 PolarHBondContact O-N 2.94Å; S53-F56 VanDerWaalsContact O-N 3.09Å; S53-S57 PolarHBondContact O-N 3.49Å; S53-S57 PolarHBondContact O-OG 3.32Å; S53-Y97 VanDerWaalsContact CA-OH 3.29Å; S53-Y97 WeakPolarHBondContact CA-OH 3.21Å; S53-Y97 WeakPolarHBondContact CB-OH 3.49Å; S53-Y97 PolarHBondContact OG-OH 3.25Å |
| 54 | E | 83.9 | Confident | 78.4 | Confident | 93 Ų | 93 | 45 Ų | 45 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.7 | -40 | 176.5 | -166.5 | 61.7 | -146.5 | 0 | 0 | 112.2 | L11 I50 F56 C58 | L11-E54 HydrophobicContact CD1-CB 4.45Å; L11-E54 HydrophobicContact CD1-CG 3.93Å; L11-E54 HydrophobicContact CD2-CG 4.39Å; I50-E54 PolarHBondContact O-N 2.84Å; E54-F56 VanDerWaalsContact C-N 3.33Å; E54-F56 PolarHBondContact O-N 3.2Å; E54-C58 VanDerWaalsContact O-CB 3.27Å; E54-C58 WeakPolarHBondContact O-CB 3.49Å; E54-C58 PolarHBondContact O-N 3.44Å |
| 55 | C | 85.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61 | -38.8 | 171.8 | -75.9 | 0 | 0 | 0 | 0 | 112.4 | L51 T52 S53 L59 | L51-C55 WeakPolarHBondContact O-CB 3.16Å; L51-C55 PolarHBondContact O-N 3.03Å; L51-C55 PolarHBondContact O-SG 3.35Å; L51-C55 VanDerWaalsContact O-SG 3.32Å; T52-C55 PolarHBondContact O-N 3.06Å; S53-C55 PolarHBondContact O-N 3.25Å; C55-L59 WeakPolarHBondContact O-CB 3.49Å; C55-L59 VanDerWaalsContact O-CG 3.25Å; C55-L59 WeakPolarHBondContact O-CG 3.38Å; C55-L59 PolarHBondContact O-N 3.44Å; C55-L59 VanDerWaalsContact O-N 3.11Å |
| 56 | F | 85 | Confident | 80.4 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.5 | -50.3 | 176.2 | -77.6 | -45.2 | 0 | 0 | 0 | 112.7 | F45 T52 S53 E54 C58 L59 V60 L80 L83 L93 Y97 | F45-F56 HydrophobicContact CB-CE2 4.14Å; F45-F56 HydrophobicContact CB-CZ 3.87Å; F45-F56 AromaticContact CD1-CE1 3.76Å; F45-F56 HydrophobicContact CD1-CE1 3.76Å; F45-F56 AromaticContact CD1-CE2 3.79Å; F45-F56 HydrophobicContact CD1-CE2 3.79Å; F45-F56 AromaticContact CD1-CZ 3.31Å; F45-F56 HydrophobicContact CD1-CZ 3.31Å; F45-F56 HydrophobicContact CE1-CE1 4.14Å; F45-F56 HydrophobicContact CE1-CZ 4.16Å; F45-F56 HydrophobicContact CG-CE2 4.43Å; F45-F56 AromaticContact CG-CZ 3.91Å; F45-F56 HydrophobicContact CG-CZ 3.91Å; T52-F56 HydrophobicContact CG2-CD2 4.02Å; T52-F56 HydrophobicContact CG2-CE2 3.68Å; T52-F56 WeakPolarHBondContact O-CD2 3.43Å; T52-F56 PolarHBondContact O-N 3.17Å; S53-F56 PolarHBondContact O-N 2.94Å; S53-F56 VanDerWaalsContact O-N 3.09Å; E54-F56 VanDerWaalsContact C-N 3.33Å; E54-F56 PolarHBondContact O-N 3.2Å; F56-C58 VanDerWaalsContact C-N 3.27Å; F56-C58 PolarHBondContact O-N 2.97Å; F56-L59 PolarHBondContact O-N 3.47Å; F56-L59 VanDerWaalsContact O-N 3.07Å; F56-V60 WeakPolarHBondContact O-CG2 3.33Å; F56-V60 PolarHBondContact O-N 3.45Å; F56-L80 HydrophobicContact CD1-CD2 4.35Å; F56-L80 HydrophobicContact CE1-CD2 4.25Å; F56-L83 HydrophobicContact CE1-CD1 3.51Å; F56-L83 HydrophobicContact CZ-CD1 3.71Å; F56-L83 HydrophobicContact CZ-CD2 4.38Å; F56-L93 HydrophobicContact CD1-CD2 3.98Å; F56-L93 HydrophobicContact CE1-CD2 4.09Å; F56-L93 HydrophobicContact CG-CD2 4.33Å; F56-L93 HydrophobicContact CZ-CD2 4.47Å; F56-Y97 HydrophobicContact CB-CD1 4.08Å; F56-Y97 HydrophobicContact CB-CD2 4.39Å; F56-Y97 HydrophobicContact CB-CE1 3.71Å; F56-Y97 HydrophobicContact CB-CE2 4.04Å; F56-Y97 HydrophobicContact CB-CG 4.42Å; F56-Y97 HydrophobicContact CD2-CE2 4.21Å; F56-Y97 HydrophobicContact CG-CE2 4.42Å |
| 57 | S | 86.8 | Confident | 81.5 | Confident | 45 Ų | 45 | 54 Ų | 54 | 32% | 0.315 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -51.7 | -48.2 | 174.6 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | S53 L59 V60 E61 Y97 | S53-S57 PolarHBondContact O-N 3.49Å; S53-S57 PolarHBondContact O-OG 3.32Å; S57-L59 VanDerWaalsContact C-N 3.34Å; S57-L59 PolarHBondContact O-N 3.36Å; S57-V60 PolarHBondContact O-N 3.23Å; S57-E61 VanDerWaalsContact O-CB 3.32Å; S57-E61 WeakPolarHBondContact O-CB 3.21Å; S57-E61 PolarHBondContact O-N 2.95Å; S57-Y97 WeakPolarHBondContact OG-CE1 3.21Å |
| 58 | C | 88.4 | Confident | 83.1 | Confident | 16 Ų | 16 | 53.4 Ų | 53.4 | 11% | 0.108 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.7 | -32.3 | 179.2 | -83.6 | 0 | 0 | 0 | 0 | 114.5 | L11 I14 E54 F56 L62 | L11-C58 HydrophobicContact CD1-CB 4.17Å; I14-C58 HydrophobicContact CD1-CB 4.18Å; I14-C58 HydrophobicContact CG2-CB 4.01Å; E54-C58 VanDerWaalsContact O-CB 3.27Å; E54-C58 WeakPolarHBondContact O-CB 3.49Å; E54-C58 PolarHBondContact O-N 3.44Å; F56-C58 VanDerWaalsContact C-N 3.27Å; F56-C58 PolarHBondContact O-N 2.97Å; C58-L62 VanDerWaalsContact O-CB 3.3Å; C58-L62 WeakPolarHBondContact O-CB 3.29Å; C58-L62 PolarHBondContact O-N 2.97Å |
| 59 | L | 89.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77.7 | -39 | 176.3 | -75.4 | 170.9 | 0 | 0 | 0 | 112.4 | L10 I14 L33 C55 F56 S57 L62 L63 I76 L79 | L10-L59 HydrophobicContact CD2-CD1 4.4Å; I14-L59 HydrophobicContact CD1-CD2 3.66Å; I14-L59 HydrophobicContact CD1-CG 3.9Å; I14-L59 HydrophobicContact CG1-CD2 4.44Å; L33-L59 HydrophobicContact CD2-CD2 3.99Å; C55-L59 WeakPolarHBondContact O-CB 3.49Å; C55-L59 VanDerWaalsContact O-CG 3.25Å; C55-L59 WeakPolarHBondContact O-CG 3.38Å; C55-L59 PolarHBondContact O-N 3.44Å; C55-L59 VanDerWaalsContact O-N 3.11Å; F56-L59 PolarHBondContact O-N 3.47Å; F56-L59 VanDerWaalsContact O-N 3.07Å; S57-L59 VanDerWaalsContact C-N 3.34Å; S57-L59 PolarHBondContact O-N 3.36Å; L59-L62 PolarHBondContact O-N 3.47Å; L59-L63 PolarHBondContact O-N 3.19Å; L59-I76 HydrophobicContact CB-CG2 4.43Å; L59-I76 HydrophobicContact CD2-CD1 4.42Å; L59-I76 HydrophobicContact CD2-CG1 4.17Å; L59-I76 HydrophobicContact CD2-CG2 4.29Å; L59-L79 HydrophobicContact CD1-CD2 4.22Å |
| 60 | V | 88.8 | Confident | 85.2 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.1 | -45.9 | -179 | 175.9 | 0 | 0 | 0 | 0 | 111 | F56 S57 L62 L63 E64 L99 V102 | F56-V60 WeakPolarHBondContact O-CG2 3.33Å; F56-V60 PolarHBondContact O-N 3.45Å; S57-V60 PolarHBondContact O-N 3.23Å; V60-L62 PolarHBondContact O-N 3.39Å; V60-L63 WeakPolarHBondContact O-CB 3.36Å; V60-L63 PolarHBondContact O-N 3.42Å; V60-E64 PolarHBondContact O-N 3.2Å; V60-L99 HydrophobicContact CG1-CD1 4.45Å; V60-L99 HydrophobicContact CG2-CD1 4.16Å; V60-V102 HydrophobicContact CG1-CB 4.29Å; V60-V102 HydrophobicContact CG1-CG1 4.25Å; V60-V102 HydrophobicContact CG1-CG2 3.78Å |
| 61 | E | 89.4 | Confident | 85.7 | Confident | 103 Ų | 103 | 42.2 Ų | 42.2 | 48% | 0.481 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.8 | -34.1 | 173.1 | -171.4 | -156.3 | 126.5 | 0 | 0 | 111.8 | K18 S57 L63 E64 | K18-E61 VanDerWaalsContact CE-OE1 3.31Å; K18-E61 WeakPolarHBondContact CE-OE1 3.37Å; K18-E61 IonicContact NZ-OE1 3.86Å; K18-E61 PolarHBondContact NZ-OE1 3.32Å; K18-E61 IonicContact NZ-OE2 3.82Å; K18-E61 PolarHBondContact NZ-OE2 2.91Å; S57-E61 VanDerWaalsContact O-CB 3.32Å; S57-E61 WeakPolarHBondContact O-CB 3.21Å; S57-E61 PolarHBondContact O-N 2.95Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 3.44Å; E61-E64 WeakPolarHBondContact O-CB 3.45Å; E61-E64 PolarHBondContact O-N 3.22Å; E61-E64 VanDerWaalsContact O-N 3.15Å |
| 62 | L | 90.4 | Very high | 86.1 | Confident | 6 Ų | 6 | 40.5 Ų | 40.5 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.2 | -19.9 | 178.1 | -174.4 | 143.9 | 0 | 0 | 0 | 112.9 | I14 Y17 K18 L29 C58 L59 V60 I68 I76 | I14-L62 HydrophobicContact CG2-CD1 3.86Å; Y17-L62 HydrophobicContact CD1-CD1 3.79Å; Y17-L62 HydrophobicContact CE1-CD1 4.32Å; K18-L62 HydrophobicContact CG-CD1 4.36Å; L29-L62 HydrophobicContact CD2-CD1 4.28Å; C58-L62 VanDerWaalsContact O-CB 3.3Å; C58-L62 WeakPolarHBondContact O-CB 3.29Å; C58-L62 PolarHBondContact O-N 2.97Å; L59-L62 PolarHBondContact O-N 3.47Å; V60-L62 PolarHBondContact O-N 3.39Å; L62-I68 HydrophobicContact CD2-CD1 3.43Å; L62-I68 VanDerWaalsContact CD2-CD1 3.43Å; L62-I68 HydrophobicContact CD2-CG1 4.32Å; L62-I68 HydrophobicContact CG-CD1 4.43Å; L62-I76 HydrophobicContact CD2-CD1 3.27Å |
| 63 | L | 89.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -81 | -20 | 168 | -67.6 | 173.4 | 0 | 0 | 0 | 113.1 | L59 V60 E61 D65 I68 I73 I76 L80 L99 V102 L103 V106 R109 | L59-L63 PolarHBondContact O-N 3.19Å; V60-L63 WeakPolarHBondContact O-CB 3.36Å; V60-L63 PolarHBondContact O-N 3.42Å; E61-L63 VanDerWaalsContact C-N 3.3Å; E61-L63 PolarHBondContact O-N 3.44Å; L63-D65 VanDerWaalsContact C-N 3.32Å; L63-I68 HydrophobicContact CD2-CD1 4.41Å; L63-I73 HydrophobicContact CD2-CG2 4.24Å; L63-I76 HydrophobicContact CD1-CG2 3.92Å; L63-I76 HydrophobicContact CD2-CB 4.27Å; L63-I76 HydrophobicContact CD2-CD1 4.38Å; L63-I76 HydrophobicContact CD2-CG2 4.1Å; L63-I76 HydrophobicContact CG-CG2 4.05Å; L63-L80 HydrophobicContact CD1-CD1 3.96Å; L63-L99 HydrophobicContact CD1-CD1 4.45Å; L63-V102 HydrophobicContact CB-CG1 3.83Å; L63-L103 HydrophobicContact CD1-CD2 4.15Å; L63-V106 HydrophobicContact CB-CG2 4.34Å; L63-R109 PolarHBondContact O-NH2 3.1Å |
| 64 | E | 87.3 | Confident | 86.9 | Confident | 115 Ų | 115 | 42.1 Ų | 42.1 | 54% | 0.537 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72 | -25.8 | 172.6 | -67.7 | -167.2 | 150.2 | 0 | 0 | 112.2 | V60 E61 P66 V102 R109 | V60-E64 PolarHBondContact O-N 3.2Å; E61-E64 WeakPolarHBondContact O-CB 3.45Å; E61-E64 PolarHBondContact O-N 3.22Å; E61-E64 VanDerWaalsContact O-N 3.15Å; E64-P66 WeakPolarHBondContact O-CD 3.37Å; E64-V102 HydrophobicContact CG-CB 4.4Å; E64-V102 HydrophobicContact CG-CG1 3.75Å; E64-V102 HydrophobicContact CG-CG2 3.91Å; E64-V102 WeakPolarHBondContact OE1-CG2 3.35Å; E64-R109 PolarHBondContact O-NH1 3.43Å |
| 65 | D | 85.4 | Confident | 87.2 | Confident | 49 Ų | 49 | 40 Ų | 40 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | trans | -67.3 | 120.7 | -179.5 | -164 | -51.7 | 0 | 0 | 0 | 112.5 | K21 L63 N67 I68 | K21-D65 VanDerWaalsContact CE-OD2 3.32Å; K21-D65 WeakPolarHBondContact CE-OD2 3.49Å; K21-D65 IonicContact NZ-OD1 3.94Å; K21-D65 PolarHBondContact NZ-OD1 3.42Å; K21-D65 IonicContact NZ-OD2 2.87Å; K21-D65 PolarHBondContact NZ-OD2 3.26Å; L63-D65 VanDerWaalsContact C-N 3.32Å; D65-N67 PolarHBondContact O-N 3.35Å; D65-N67 WeakPolarHBondContact OD1-CB 3.39Å; D65-N67 PolarHBondContact OD1-N 3.5Å; D65-N67 PolarHBondContact OD1-ND2 3.11Å; D65-I68 VanDerWaalsContact O-CG2 3.29Å; D65-I68 WeakPolarHBondContact O-CG2 3.33Å | ||
| 66 | P | 78.5 | Confident | 87.5 | Confident | 97 Ų | 97 | 40 Ų | 40 | 63% | 0.63 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -2.9 | -178.4 | 29.7 | -34.5 | 0 | 0 | 0 | 114.7 | E64 | E64-P66 WeakPolarHBondContact O-CD 3.37Š|
| 67 | N | 82 | Confident | 87.7 | Confident | 111 Ų | 111 | 39.7 Ų | 39.7 | 59% | 0.594 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 12.1 | -176.3 | -42.3 | -98 | 0 | 0 | 0 | 113 | D65 | D65-N67 PolarHBondContact O-N 3.35Å; D65-N67 WeakPolarHBondContact OD1-CB 3.39Å; D65-N67 PolarHBondContact OD1-N 3.5Å; D65-N67 PolarHBondContact OD1-ND2 3.11Å |
| 68 | I | 86.8 | Confident | 87.8 | Confident | 23 Ų | 23 | 38.7 Ų | 38.7 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | trans | -68.2 | 146.3 | 173.7 | -172.9 | 179.8 | 0 | 0 | 0 | 111 | L62 L63 D65 L72 I73 I76 | L62-I68 HydrophobicContact CD2-CD1 3.43Å; L62-I68 VanDerWaalsContact CD2-CD1 3.43Å; L62-I68 HydrophobicContact CD2-CG1 4.32Å; L62-I68 HydrophobicContact CG-CD1 4.43Å; L63-I68 HydrophobicContact CD2-CD1 4.41Å; D65-I68 VanDerWaalsContact O-CG2 3.29Å; D65-I68 WeakPolarHBondContact O-CG2 3.33Å; I68-L72 HydrophobicContact CD1-CB 3.84Å; I68-L72 HydrophobicContact CG1-CB 3.73Å; I68-L72 HydrophobicContact CG1-CD1 4.3Å; I68-I73 HydrophobicContact CB-CG1 4.47Å; I68-I73 HydrophobicContact CD1-CG1 3.89Å; I68-I73 HydrophobicContact CG1-CG1 4.16Å; I68-I73 HydrophobicContact CG2-CD1 3.78Å; I68-I73 HydrophobicContact CG2-CG1 3.55Å; I68-I76 HydrophobicContact CD1-CD1 4.08Å | ||
| 69 | S | 85.6 | Confident | 87.8 | Confident | 38 Ų | 38 | 38 Ų | 38 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | trans | -74.8 | 143.2 | 174.1 | 68.9 | 0 | 0 | 0 | 0 | 112 | S71 L72 I73 | S69-S71 PolarHBondContact O-N 3.34Å; S69-S71 VanDerWaalsContact O-N 3.11Å; S69-S71 PolarHBondContact OG-OG 3.07Å; S69-L72 PolarHBondContact O-N 3.46Å; S69-L72 PolarHBondContact OG-N 3.12Å; S69-I73 PolarHBondContact O-N 3.39Å; S69-I73 VanDerWaalsContact O-N 3.09Å | ||
| 70 | A | 85.4 | Confident | 87.8 | Confident | 46 Ų | 46 | 38 Ų | 38 | 38% | 0.38 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -54.4 | -33.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I73 L74 V116 | A70-I73 PolarHBondContact O-N 3.27Å; A70-L74 VanDerWaalsContact O-CG 3.3Å; A70-L74 WeakPolarHBondContact O-CG 3.46Å; A70-L74 PolarHBondContact O-N 2.92Å; A70-V116 HydrophobicContact CB-CG2 3.9Å |
| 71 | S | 87.8 | Confident | 87.7 | Confident | 58 Ų | 58 | 38.4 Ų | 38.4 | 41% | 0.406 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.4 | -42.4 | 173.2 | 49.2 | 0 | 0 | 0 | 0 | 113.3 | S69 S75 | S69-S71 PolarHBondContact O-N 3.34Å; S69-S71 VanDerWaalsContact O-N 3.11Å; S69-S71 PolarHBondContact OG-OG 3.07Å; S71-S75 PolarHBondContact O-N 3.13Å; S71-S75 VanDerWaalsContact O-N 3.15Å; S71-S75 PolarHBondContact O-OG 3.26Å |
| 72 | L | 89.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.9 | -42.3 | 176.5 | -78 | 168.7 | 0 | 0 | 0 | 111.2 | Y17 A26 L29 L30 L33 I68 S69 L74 S75 I76 | Y17-L72 HydrophobicContact CD2-CD1 4.38Å; Y17-L72 HydrophobicContact CE1-CD1 3.93Å; Y17-L72 HydrophobicContact CE2-CD1 3.77Å; Y17-L72 VanDerWaalsContact CZ-CD1 3.5Å; A26-L72 HydrophobicContact CB-CD1 3.96Å; L29-L72 HydrophobicContact CB-CD2 4.19Å; L29-L72 HydrophobicContact CD2-CD1 4.46Å; L29-L72 HydrophobicContact CD2-CD2 3.74Å; L29-L72 HydrophobicContact CG-CD2 3.79Å; L30-L72 HydrophobicContact CD2-CD2 3.79Å; L30-L72 HydrophobicContact CD2-CG 4.31Å; L30-L72 HydrophobicContact CG-CD2 3.76Å; L30-L72 HydrophobicContact CG-CG 4.36Å; L33-L72 HydrophobicContact CD1-CD2 4.33Å; I68-L72 HydrophobicContact CD1-CB 3.84Å; I68-L72 HydrophobicContact CG1-CB 3.73Å; I68-L72 HydrophobicContact CG1-CD1 4.3Å; S69-L72 PolarHBondContact O-N 3.46Å; S69-L72 PolarHBondContact OG-N 3.12Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 3.42Å; L72-S75 PolarHBondContact O-N 2.62Å; L72-I76 WeakPolarHBondContact O-CD1 3.45Å; L72-I76 WeakPolarHBondContact O-CG1 3.42Å; L72-I76 PolarHBondContact O-N 3.32Å |
| 73 | I | 89.7 | Confident | 87.1 | Confident | 13 Ų | 13 | 37.2 Ų | 37.2 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.2 | -52.1 | 174.3 | -57.5 | 172.7 | 0 | 0 | 0 | 110 | L63 I68 S69 A70 S75 I76 I77 V106 V116 | L63-I73 HydrophobicContact CD2-CG2 4.24Å; I68-I73 HydrophobicContact CB-CG1 4.47Å; I68-I73 HydrophobicContact CD1-CG1 3.89Å; I68-I73 HydrophobicContact CG1-CG1 4.16Å; I68-I73 HydrophobicContact CG2-CD1 3.78Å; I68-I73 HydrophobicContact CG2-CG1 3.55Å; S69-I73 PolarHBondContact O-N 3.39Å; S69-I73 VanDerWaalsContact O-N 3.09Å; A70-I73 PolarHBondContact O-N 3.27Å; I73-S75 PolarHBondContact O-N 3.44Å; I73-I76 PolarHBondContact O-N 3.37Å; I73-I77 HydrophobicContact CG2-CD1 3.54Å; I73-I77 HydrophobicContact CG2-CG1 4.22Å; I73-I77 WeakPolarHBondContact O-CB 3.46Å; I73-I77 VanDerWaalsContact O-CG1 3.32Å; I73-I77 WeakPolarHBondContact O-CG1 3.48Å; I73-I77 PolarHBondContact O-N 3.12Å; I73-V106 HydrophobicContact CG2-CG1 4.15Å; I73-V116 HydrophobicContact CB-CG1 4.41Å; I73-V116 HydrophobicContact CD1-CG1 4.21Å; I73-V116 HydrophobicContact CG2-CG1 3.69Å |
| 74 | L | 89.7 | Confident | 86.7 | Confident | 54 Ų | 54 | 37.2 Ų | 37.2 | 28% | 0.283 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.8 | -44.4 | -178.2 | -72.9 | 168.2 | 0 | 0 | 0 | 112.8 | A70 L72 G78 V116 Q119 | A70-L74 VanDerWaalsContact O-CG 3.3Å; A70-L74 WeakPolarHBondContact O-CG 3.46Å; A70-L74 PolarHBondContact O-N 2.92Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 3.42Å; L74-G78 PolarHBondContact O-N 3.46Å; L74-V116 HydrophobicContact CD1-CG2 4.39Å; L74-V116 HydrophobicContact CD2-CG2 4.31Å; L74-V116 HydrophobicContact CG-CG2 4.11Å; L74-Q119 HydrophobicContact CD2-CB 4.04Å; L74-Q119 HydrophobicContact CD2-CG 3.88Å |
| 75 | S | 90.4 | Very high | 86.3 | Confident | 48 Ų | 48 | 36.5 Ų | 36.5 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.7 | -36.5 | 178 | -67.5 | 0 | 0 | 0 | 0 | 113.2 | L30 S71 L72 I73 L79 | L30-S75 VanDerWaalsContact CD2-OG 3.26Å; L30-S75 WeakPolarHBondContact CD2-OG 3.46Å; S71-S75 PolarHBondContact O-N 3.13Å; S71-S75 VanDerWaalsContact O-N 3.15Å; S71-S75 PolarHBondContact O-OG 3.26Å; L72-S75 PolarHBondContact O-N 2.62Å; I73-S75 PolarHBondContact O-N 3.44Å; S75-L79 PolarHBondContact O-N 2.86Å; S75-L79 VanDerWaalsContact O-N 3.1Å |
| 76 | I | 91 | Very high | 85.7 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.3 | -44.2 | 178.3 | -62.9 | 163.6 | 0 | 0 | 0 | 110.4 | L33 L59 L62 L63 I68 L72 I73 G78 L79 L80 | L33-I76 HydrophobicContact CD1-CG1 3.73Å; L33-I76 HydrophobicContact CD2-CG1 4.36Å; L59-I76 HydrophobicContact CB-CG2 4.43Å; L59-I76 HydrophobicContact CD2-CD1 4.42Å; L59-I76 HydrophobicContact CD2-CG1 4.17Å; L59-I76 HydrophobicContact CD2-CG2 4.29Å; L62-I76 HydrophobicContact CD2-CD1 3.27Å; L63-I76 HydrophobicContact CD1-CG2 3.92Å; L63-I76 HydrophobicContact CD2-CB 4.27Å; L63-I76 HydrophobicContact CD2-CD1 4.38Å; L63-I76 HydrophobicContact CD2-CG2 4.1Å; L63-I76 HydrophobicContact CG-CG2 4.05Å; I68-I76 HydrophobicContact CD1-CD1 4.08Å; L72-I76 WeakPolarHBondContact O-CD1 3.45Å; L72-I76 WeakPolarHBondContact O-CG1 3.42Å; L72-I76 PolarHBondContact O-N 3.32Å; I73-I76 PolarHBondContact O-N 3.37Å; I76-G78 VanDerWaalsContact C-N 3.3Å; I76-G78 PolarHBondContact O-N 3.43Å; I76-L79 PolarHBondContact O-N 3.29Å; I76-L80 HydrophobicContact CG2-CD1 3.97Å; I76-L80 HydrophobicContact CG2-CG 4.43Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 3.47Å |
| 77 | I | 90.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 173.6 | -70.4 | 177.8 | 0 | 0 | 0 | 110.7 | I73 L79 L80 S81 L103 Q119 C120 L123 | I73-I77 HydrophobicContact CG2-CD1 3.54Å; I73-I77 HydrophobicContact CG2-CG1 4.22Å; I73-I77 WeakPolarHBondContact O-CB 3.46Å; I73-I77 VanDerWaalsContact O-CG1 3.32Å; I73-I77 WeakPolarHBondContact O-CG1 3.48Å; I73-I77 PolarHBondContact O-N 3.12Å; I77-L79 PolarHBondContact O-N 3.23Å; I77-L80 PolarHBondContact O-N 3.06Å; I77-S81 WeakPolarHBondContact O-CB 3.41Å; I77-S81 PolarHBondContact O-N 3Å; I77-L103 HydrophobicContact CD1-CD2 4.35Å; I77-L103 HydrophobicContact CG1-CD2 4.29Å; I77-Q119 HydrophobicContact CG2-CB 3.99Å; I77-C120 HydrophobicContact CD1-CB 4.45Å; I77-C120 WeakPolarHBondContact CD1-SG 3.37Å; I77-L123 HydrophobicContact CB-CD2 4.42Å; I77-L123 HydrophobicContact CG1-CD2 4.46Å; I77-L123 HydrophobicContact CG2-CB 4.17Å; I77-L123 HydrophobicContact CG2-CD2 3.9Å |
| 78 | G | 89.1 | Confident | 85.2 | Confident | 25 Ų | 25 | 35.7 Ų | 35.7 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L74 I76 S81 Q82 | L74-G78 PolarHBondContact O-N 3.46Å; I76-G78 VanDerWaalsContact C-N 3.3Å; I76-G78 PolarHBondContact O-N 3.43Å; G78-S81 PolarHBondContact O-N 3.08Å; G78-Q82 WeakPolarHBondContact O-CG 3.34Å; G78-Q82 PolarHBondContact O-N 3.16Å; G78-Q82 VanDerWaalsContact O-N 3.09Å |
| 79 | L | 88.1 | Confident | 84.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 176.5 | 179.4 | 60.6 | 0 | 0 | 0 | 112.1 | L33 I36 L41 L59 S75 I76 I77 S81 Q82 L83 | L33-L79 HydrophobicContact CD2-CD2 3.74Å; I36-L79 HydrophobicContact CG2-CD1 3.98Å; I36-L79 HydrophobicContact CG2-CD2 4.37Å; L41-L79 HydrophobicContact CD1-CD1 3.66Å; L41-L79 HydrophobicContact CD2-CD1 3.68Å; L41-L79 HydrophobicContact CG-CD1 4.34Å; L59-L79 HydrophobicContact CD1-CD2 4.22Å; S75-L79 PolarHBondContact O-N 2.86Å; S75-L79 VanDerWaalsContact O-N 3.1Å; I76-L79 PolarHBondContact O-N 3.29Å; I77-L79 PolarHBondContact O-N 3.23Å; L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 3.16Å; L79-Q82 PolarHBondContact O-N 3.15Å; L79-L83 HydrophobicContact CD1-CD1 4.39Å; L79-L83 HydrophobicContact CG-CD1 4.22Å; L79-L83 WeakPolarHBondContact O-CD1 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.4Å; L79-L83 PolarHBondContact O-N 3.23Å; L79-L83 VanDerWaalsContact O-N 3.12Å |
| 80 | L | 88.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -34.5 | 177.1 | -66.8 | 171.7 | 0 | 0 | 0 | 112.3 | F56 L63 I76 I77 L83 A84 L93 L99 L123 | F56-L80 HydrophobicContact CD1-CD2 4.35Å; F56-L80 HydrophobicContact CE1-CD2 4.25Å; L63-L80 HydrophobicContact CD1-CD1 3.96Å; I76-L80 HydrophobicContact CG2-CD1 3.97Å; I76-L80 HydrophobicContact CG2-CG 4.43Å; I76-L80 WeakPolarHBondContact O-CG 3.43Å; I76-L80 PolarHBondContact O-N 3.47Å; I77-L80 PolarHBondContact O-N 3.06Å; L80-L83 PolarHBondContact O-N 2.63Å; L80-A84 WeakPolarHBondContact O-CB 3.26Å; L80-A84 PolarHBondContact O-N 2.92Å; L80-L93 HydrophobicContact CD2-CD1 4.29Å; L80-L93 HydrophobicContact CD2-CD2 3.83Å; L80-L99 HydrophobicContact CD1-CD1 4.08Å; L80-L99 HydrophobicContact CD1-CD2 4.13Å; L80-L99 HydrophobicContact CD2-CD2 4.49Å; L80-L123 HydrophobicContact CB-CD2 3.85Å |
| 81 | S | 88 | Confident | 84.1 | Confident | 16 Ų | 16 | 36.5 Ų | 36.5 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73.4 | -23.4 | 178.5 | -170.5 | 0 | 0 | 0 | 0 | 113.7 | I77 G78 L79 K126 | I77-S81 WeakPolarHBondContact O-CB 3.41Å; I77-S81 PolarHBondContact O-N 3Å; G78-S81 PolarHBondContact O-N 3.08Å; L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 3.16Å; S81-K126 PolarHBondContact O-NZ 3.32Å; S81-K126 PolarHBondContact OG-NZ 3.2Å |
| 82 | Q | 85.4 | Confident | 83.6 | Confident | 84 Ų | 84 | 34.9 Ų | 34.9 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -79.5 | -36.3 | 168.6 | -71.3 | 169.7 | -15.9 | 0 | 0 | 112.1 | S37 L41 G78 L79 V85 | S37-Q82 PolarHBondContact OG-NE2 2.76Å; S37-Q82 PolarHBondContact OG-OE1 3.15Å; L41-Q82 HydrophobicContact CD1-CB 3.7Å; G78-Q82 WeakPolarHBondContact O-CG 3.34Å; G78-Q82 PolarHBondContact O-N 3.16Å; G78-Q82 VanDerWaalsContact O-N 3.09Å; L79-Q82 PolarHBondContact O-N 3.15Å; Q82-V85 WeakPolarHBondContact O-CG2 3.4Å |
| 83 | L | 81.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.4 | -49.8 | 177.6 | -73.5 | 159.7 | 0 | 0 | 0 | 111.9 | L41 F45 F56 L79 L80 V85 D86 T89 L93 | L41-L83 HydrophobicContact CB-CD2 3.85Å; L41-L83 HydrophobicContact CB-CG 4.49Å; L41-L83 HydrophobicContact CD1-CG 4.35Å; F45-L83 HydrophobicContact CB-CD2 3.71Å; F45-L83 HydrophobicContact CD2-CD2 3.94Å; F45-L83 HydrophobicContact CG-CD2 3.85Å; F56-L83 HydrophobicContact CE1-CD1 3.51Å; F56-L83 HydrophobicContact CZ-CD1 3.71Å; F56-L83 HydrophobicContact CZ-CD2 4.38Å; L79-L83 HydrophobicContact CD1-CD1 4.39Å; L79-L83 HydrophobicContact CG-CD1 4.22Å; L79-L83 WeakPolarHBondContact O-CD1 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.4Å; L79-L83 PolarHBondContact O-N 3.23Å; L79-L83 VanDerWaalsContact O-N 3.12Å; L80-L83 PolarHBondContact O-N 2.63Å; L83-V85 PolarHBondContact O-N 2.84Å; L83-D86 PolarHBondContact O-N 3.3Å; L83-T89 PolarHBondContact O-OG1 3.39Å; L83-L93 HydrophobicContact CB-CD1 4.48Å |
| 84 | A | 81.5 | Confident | 82.7 | Confident | 2 Ų | 2 | 35 Ų | 35 | 2% | 0.017 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 5.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L80 R90 L93 L123 L127 | L80-A84 WeakPolarHBondContact O-CB 3.26Å; L80-A84 PolarHBondContact O-N 2.92Å; A84-R90 HydrophobicContact CB-CG 4.43Å; A84-R90 PolarHBondContact O-NE 3.41Å; A84-R90 PolarHBondContact O-NH2 3.48Å; A84-L93 HydrophobicContact CB-CD1 4.44Å; A84-L123 HydrophobicContact CB-CD1 4.35Å; A84-L127 HydrophobicContact CB-CD2 3.78Å |
| 85 | V | 77.5 | Confident | 82 | Confident | 100 Ų | 100 | 37 Ų | 37 | 61% | 0.606 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -42 | 164 | 177.2 | 0 | 0 | 0 | 0 | 110.2 | Q82 L83 R90 | Q82-V85 WeakPolarHBondContact O-CG2 3.4Å; L83-V85 PolarHBondContact O-N 2.84Å; V85-R90 PolarHBondContact O-NH2 2.73Å |
| 86 | D | 73.6 | Confident | 81.4 | Confident | 56 Ų | 56 | 39.1 Ų | 39.1 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -72.6 | 152.3 | 172.2 | 166 | 61.4 | 0 | 0 | 0 | 111.5 | T42 L83 E88 T89 R90 | T42-D86 HydrophobicContact CG2-CB 4.09Å; L83-D86 PolarHBondContact O-N 3.3Å; D86-E88 PolarHBondContact OD2-N 3.23Å; D86-E88 VanDerWaalsContact OD2-N 3.11Å; D86-T89 WeakPolarHBondContact CB-OG1 3.43Å; D86-T89 PolarHBondContact O-OG1 3.08Å; D86-T89 WeakPolarHBondContact OD2-CB 3.28Å; D86-T89 WeakPolarHBondContact OD2-CG2 3.37Å; D86-T89 PolarHBondContact OD2-N 3.5Å; D86-T89 PolarHBondContact OD2-OG1 3.41Å; D86-R90 VanDerWaalsContact O-CB 3.31Å; D86-R90 WeakPolarHBondContact O-CB 3.49Å; D86-R90 PolarHBondContact O-N 2.61Å; D86-R90 PolarHBondContact O-NH2 3.05Å; D86-R90 VanDerWaalsContact O-NH2 3.15Å |
| 87 | N | 75 | Confident | 80.9 | Confident | 89 Ų | 89 | 40.3 Ų | 40.3 | 48% | 0.476 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -81.6 | -43.9 | -177.8 | -66.4 | -23.4 | 0 | 0 | 0 | 112.4 | R90 D91 | N87-R90 WeakPolarHBondContact O-CB 3.36Å; N87-R90 PolarHBondContact O-N 3.38Å; N87-R90 VanDerWaalsContact OD1-CZ 3.28Å; N87-R90 PolarHBondContact OD1-NH1 3.46Å; N87-R90 PolarHBondContact OD1-NH2 3.4Å; N87-D91 PolarHBondContact O-N 3.28Å |
| 88 | E | 73.9 | Confident | 80.4 | Confident | 95 Ų | 95 | 44.7 Ų | 44.7 | 44% | 0.444 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.1 | -45.2 | -176.4 | -168.8 | -164.3 | 122.8 | 0 | 0 | 111.4 | S47 D86 R90 D91 C92 | S47-E88 VanDerWaalsContact CB-OE1 3.25Å; S47-E88 WeakPolarHBondContact CB-OE1 3.43Å; S47-E88 PolarHBondContact OG-OE1 3.1Å; D86-E88 PolarHBondContact OD2-N 3.23Å; D86-E88 VanDerWaalsContact OD2-N 3.11Å; E88-R90 VanDerWaalsContact C-N 3.31Å; E88-R90 PolarHBondContact O-N 2.98Å; E88-D91 PolarHBondContact O-N 3.27Å; E88-C92 WeakPolarHBondContact O-CB 3.47Å; E88-C92 PolarHBondContact O-N 3.48Å |
| 89 | T | 76.9 | Confident | 80.3 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.2 | -35.2 | 173.8 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | L83 D86 C92 L93 | L83-T89 PolarHBondContact O-OG1 3.39Å; D86-T89 WeakPolarHBondContact CB-OG1 3.43Å; D86-T89 PolarHBondContact O-OG1 3.08Å; D86-T89 WeakPolarHBondContact OD2-CB 3.28Å; D86-T89 WeakPolarHBondContact OD2-CG2 3.37Å; D86-T89 PolarHBondContact OD2-N 3.5Å; D86-T89 PolarHBondContact OD2-OG1 3.41Å; T89-C92 PolarHBondContact O-N 3.02Å; T89-L93 VanDerWaalsContact O-CB 3.31Å; T89-L93 WeakPolarHBondContact O-CB 3.45Å; T89-L93 WeakPolarHBondContact O-CG 3.1Å; T89-L93 PolarHBondContact O-N 2.97Å |
| 90 | R | 81.7 | Confident | 80.3 | Confident | 38 Ų | 38 | 44 Ų | 44 | 14% | 0.143 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.2 | -47.3 | 176 | -167.6 | -173.7 | -45.3 | 113.5 | 11.4 | 111.7 | A84 V85 D86 N87 E88 C92 L93 Q94 L127 | A84-R90 HydrophobicContact CB-CG 4.43Å; A84-R90 PolarHBondContact O-NE 3.41Å; A84-R90 PolarHBondContact O-NH2 3.48Å; V85-R90 PolarHBondContact O-NH2 2.73Å; D86-R90 VanDerWaalsContact O-CB 3.31Å; D86-R90 WeakPolarHBondContact O-CB 3.49Å; D86-R90 PolarHBondContact O-N 2.61Å; D86-R90 PolarHBondContact O-NH2 3.05Å; D86-R90 VanDerWaalsContact O-NH2 3.15Å; N87-R90 WeakPolarHBondContact O-CB 3.36Å; N87-R90 PolarHBondContact O-N 3.38Å; N87-R90 VanDerWaalsContact OD1-CZ 3.28Å; N87-R90 PolarHBondContact OD1-NH1 3.46Å; N87-R90 PolarHBondContact OD1-NH2 3.4Å; E88-R90 VanDerWaalsContact C-N 3.31Å; E88-R90 PolarHBondContact O-N 2.98Å; R90-C92 VanDerWaalsContact C-N 3.27Å; R90-C92 PolarHBondContact O-N 3.36Å; R90-L93 PolarHBondContact O-N 3.17Å; R90-Q94 PolarHBondContact O-N 3.08Å; R90-L127 HydrophobicContact CG-CD2 3.9Å |
| 91 | D | 76.9 | Confident | 80.2 | Confident | 77 Ų | 77 | 44.6 Ų | 44.6 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.7 | -35.8 | 177.4 | -72.4 | -20.9 | 0 | 0 | 0 | 111.4 | N87 E88 N95 | N87-D91 PolarHBondContact O-N 3.28Å; E88-D91 PolarHBondContact O-N 3.27Å; D91-N95 VanDerWaalsContact O-CB 3.29Å; D91-N95 WeakPolarHBondContact O-CB 3.45Å; D91-N95 PolarHBondContact O-N 2.99Å; D91-N95 PolarHBondContact O-ND2 2.87Å |
| 92 | C | 78 | Confident | 80.2 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.4 | -47.3 | 173.8 | -163.8 | 0 | 0 | 0 | 0 | 111.9 | E88 T89 R90 Q94 N95 T96 Y97 | E88-C92 WeakPolarHBondContact O-CB 3.47Å; E88-C92 PolarHBondContact O-N 3.48Å; T89-C92 PolarHBondContact O-N 3.02Å; R90-C92 VanDerWaalsContact C-N 3.27Å; R90-C92 PolarHBondContact O-N 3.36Å; C92-Q94 VanDerWaalsContact C-N 3.29Å; C92-Q94 PolarHBondContact O-N 3.36Å; C92-N95 PolarHBondContact O-N 3.08Å; C92-T96 WeakPolarHBondContact O-CB 3.36Å; C92-T96 PolarHBondContact O-N 3.03Å; C92-T96 PolarHBondContact O-OG1 3.18Å; C92-Y97 VanDerWaalsContact O-CD2 3.3Å; C92-Y97 WeakPolarHBondContact O-CD2 3.21Å |
| 93 | L | 81 | Confident | 80.3 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.3 | -39.5 | 175.7 | -75.3 | 173.6 | 0 | 0 | 0 | 112.5 | F56 L80 L83 A84 T89 R90 Y97 L99 | F56-L93 HydrophobicContact CD1-CD2 3.98Å; F56-L93 HydrophobicContact CE1-CD2 4.09Å; F56-L93 HydrophobicContact CG-CD2 4.33Å; F56-L93 HydrophobicContact CZ-CD2 4.47Å; L80-L93 HydrophobicContact CD2-CD1 4.29Å; L80-L93 HydrophobicContact CD2-CD2 3.83Å; L83-L93 HydrophobicContact CB-CD1 4.48Å; A84-L93 HydrophobicContact CB-CD1 4.44Å; T89-L93 VanDerWaalsContact O-CB 3.31Å; T89-L93 WeakPolarHBondContact O-CB 3.45Å; T89-L93 WeakPolarHBondContact O-CG 3.1Å; T89-L93 PolarHBondContact O-N 2.97Å; R90-L93 PolarHBondContact O-N 3.17Å; L93-Y97 HydrophobicContact CD2-CD2 4.45Å; L93-L99 HydrophobicContact CB-CD2 4.09Å; L93-L99 HydrophobicContact CD1-CD2 4.38Å; L93-L99 HydrophobicContact CD2-CD2 4.25Å; L93-L99 HydrophobicContact CG-CD2 4.47Å; L93-L99 VanDerWaalsContact O-CB 3.26Å; L93-L99 WeakPolarHBondContact O-CB 3.43Å; L93-L99 PolarHBondContact O-N 2.96Å |
| 94 | Q | 78.6 | Confident | 80.6 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -73.9 | -57.8 | 175 | 173.2 | 161 | -31.4 | 0 | 0 | 112.6 | R90 C92 N98 N100 L127 K132 | R90-Q94 PolarHBondContact O-N 3.08Å; C92-Q94 VanDerWaalsContact C-N 3.29Å; C92-Q94 PolarHBondContact O-N 3.36Å; Q94-N98 WeakPolarHBondContact O-CA 3.39Å; Q94-N98 PolarHBondContact O-N 3.29Å; Q94-N98 VanDerWaalsContact O-N 3.16Å; Q94-N100 PolarHBondContact OE1-ND2 2.96Å; Q94-L127 PolarHBondContact OE1-O 2.94Å; Q94-K132 PolarHBondContact NE2-O 3.16Å |
| 95 | N | 75.4 | Confident | 80.9 | Confident | 97 Ų | 97 | 40.4 Ų | 40.4 | 52% | 0.519 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -83.9 | -30 | -164.6 | -62 | -62.4 | 0 | 0 | 0 | 113.6 | D91 C92 | D91-N95 VanDerWaalsContact O-CB 3.29Å; D91-N95 WeakPolarHBondContact O-CB 3.45Å; D91-N95 PolarHBondContact O-N 2.99Å; D91-N95 PolarHBondContact O-ND2 2.87Å; C92-N95 PolarHBondContact O-N 3.08Å |
| 96 | T | 78 | Confident | 81.4 | Confident | 92 Ų | 92 | 35.7 Ų | 35.7 | 56% | 0.564 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -39.2 | -178.2 | -50 | 0 | 0 | 0 | 0 | 112.1 | C92 | C92-T96 WeakPolarHBondContact O-CB 3.36Å; C92-T96 PolarHBondContact O-N 3.03Å; C92-T96 PolarHBondContact O-OG1 3.18Å |
| 97 | Y | 79.4 | Confident | 81.9 | Confident | 27 Ų | 27 | 33 Ų | 33 | 11% | 0.106 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 3.3 | -173.4 | -46.3 | -86.3 | 0 | 0 | 0 | 114.4 | S53 F56 S57 C92 L93 L99 | S53-Y97 VanDerWaalsContact CA-OH 3.29Å; S53-Y97 WeakPolarHBondContact CA-OH 3.21Å; S53-Y97 WeakPolarHBondContact CB-OH 3.49Å; S53-Y97 PolarHBondContact OG-OH 3.25Å; F56-Y97 HydrophobicContact CB-CD1 4.08Å; F56-Y97 HydrophobicContact CB-CD2 4.39Å; F56-Y97 HydrophobicContact CB-CE1 3.71Å; F56-Y97 HydrophobicContact CB-CE2 4.04Å; F56-Y97 HydrophobicContact CB-CG 4.42Å; F56-Y97 HydrophobicContact CD2-CE2 4.21Å; F56-Y97 HydrophobicContact CG-CE2 4.42Å; S57-Y97 WeakPolarHBondContact OG-CE1 3.21Å; C92-Y97 VanDerWaalsContact O-CD2 3.3Å; C92-Y97 WeakPolarHBondContact O-CD2 3.21Å; L93-Y97 HydrophobicContact CD2-CD2 4.45Å; Y97-L99 PolarHBondContact O-N 3.39Å; Y97-L99 VanDerWaalsContact O-N 3.09Å |
| 98 | N | 81 | Confident | 82.3 | Confident | 91 Ų | 91 | 30.5 Ų | 30.5 | 49% | 0.487 | 17% | 0.166 | S | C | . | . | trans | 53.1 | 31.4 | 176.7 | -169.4 | 30.9 | 0 | 0 | 0 | 114.5 | Q94 N100 S101 | Q94-N98 WeakPolarHBondContact O-CA 3.39Å; Q94-N98 PolarHBondContact O-N 3.29Å; Q94-N98 VanDerWaalsContact O-N 3.16Å; N98-N100 PolarHBondContact O-N 2.94Å; N98-S101 WeakPolarHBondContact ND2-CB 3.36Å; N98-S101 PolarHBondContact O-N 3.47Å | ||
| 99 | L | 86.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.5 | -30.3 | -169.1 | 179.4 | 60.2 | 0 | 0 | 0 | 113.7 | V60 L63 L80 L93 Y97 S101 V102 L103 L127 | V60-L99 HydrophobicContact CG1-CD1 4.45Å; V60-L99 HydrophobicContact CG2-CD1 4.16Å; L63-L99 HydrophobicContact CD1-CD1 4.45Å; L80-L99 HydrophobicContact CD1-CD1 4.08Å; L80-L99 HydrophobicContact CD1-CD2 4.13Å; L80-L99 HydrophobicContact CD2-CD2 4.49Å; L93-L99 HydrophobicContact CB-CD2 4.09Å; L93-L99 HydrophobicContact CD1-CD2 4.38Å; L93-L99 HydrophobicContact CD2-CD2 4.25Å; L93-L99 HydrophobicContact CG-CD2 4.47Å; L93-L99 VanDerWaalsContact O-CB 3.26Å; L93-L99 WeakPolarHBondContact O-CB 3.43Å; L93-L99 PolarHBondContact O-N 2.96Å; Y97-L99 PolarHBondContact O-N 3.39Å; Y97-L99 VanDerWaalsContact O-N 3.09Å; L99-S101 PolarHBondContact O-N 3.16Å; L99-V102 PolarHBondContact O-N 3.25Å; L99-L103 HydrophobicContact CD1-CD1 3.9Å; L99-L103 HydrophobicContact CD1-CD2 4.22Å; L99-L103 HydrophobicContact CD1-CG 3.71Å; L99-L103 HydrophobicContact CD2-CD1 4.22Å; L99-L103 HydrophobicContact CG-CD1 3.71Å; L99-L103 HydrophobicContact CG-CG 4.01Å; L99-L103 WeakPolarHBondContact O-CB 3.27Å; L99-L103 WeakPolarHBondContact O-CG 3.35Å; L99-L103 PolarHBondContact O-N 2.96Å; L99-L127 HydrophobicContact CB-CD1 4.48Å; L99-L127 HydrophobicContact CD2-CD1 3.61Å; L99-L127 HydrophobicContact CD2-CD2 4.45Å; L99-L127 HydrophobicContact CG-CD1 3.85Å |
| 100 | N | 87.6 | Confident | 82.4 | Confident | 14 Ų | 14 | 31 Ų | 31 | 8% | 0.075 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.5 | -39.1 | 178.6 | -67.6 | -16.5 | 0 | 0 | 0 | 113.1 | Q94 N98 A104 L127 | Q94-N100 PolarHBondContact OE1-ND2 2.96Å; N98-N100 PolarHBondContact O-N 2.94Å; N100-A104 WeakPolarHBondContact O-CB 3.35Å; N100-A104 PolarHBondContact O-N 3.33Å; N100-L127 WeakPolarHBondContact OD1-CB 3.18Å; N100-L127 WeakPolarHBondContact OD1-CD1 3.28Å |
| 101 | S | 85.8 | Confident | 81.5 | Confident | 11 Ų | 11 | 31.4 Ų | 31.4 | 8% | 0.077 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -75.8 | -35.1 | 179.7 | -176.2 | 0 | 0 | 0 | 0 | 111.8 | N98 L99 G105 A138 N139 | N98-S101 WeakPolarHBondContact ND2-CB 3.36Å; N98-S101 PolarHBondContact O-N 3.47Å; L99-S101 PolarHBondContact O-N 3.16Å; S101-G105 PolarHBondContact O-N 3.32Å; S101-G105 VanDerWaalsContact O-N 3.07Å; S101-A138 PolarHBondContact OG-O 3.3Å; S101-N139 PolarHBondContact O-ND2 3.21Å; S101-N139 VanDerWaalsContact O-ND2 3.16Å |
| 102 | V | 87.6 | Confident | 80.8 | Confident | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.036 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.3 | -50.1 | 173.7 | 178 | 0 | 0 | 0 | 0 | 110.8 | V60 L63 E64 L99 A104 G105 V106 | V60-V102 HydrophobicContact CG1-CB 4.29Å; V60-V102 HydrophobicContact CG1-CG1 4.25Å; V60-V102 HydrophobicContact CG1-CG2 3.78Å; L63-V102 HydrophobicContact CB-CG1 3.83Å; E64-V102 HydrophobicContact CG-CB 4.4Å; E64-V102 HydrophobicContact CG-CG1 3.75Å; E64-V102 HydrophobicContact CG-CG2 3.91Å; E64-V102 WeakPolarHBondContact OE1-CG2 3.35Å; L99-V102 PolarHBondContact O-N 3.25Å; V102-A104 PolarHBondContact O-N 2.91Å; V102-G105 CarbonylContact O-C 3.55Å; V102-G105 WeakPolarHBondContact O-CA 3.36Å; V102-G105 PolarHBondContact O-N 3.23Å; V102-G105 VanDerWaalsContact O-N 3.08Å; V102-V106 PolarHBondContact O-N 3.22Å |
| 103 | L | 89 | Confident | 80.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.2 | -33.2 | 179.1 | -67.2 | 175.1 | 0 | 0 | 0 | 112.7 | L63 I77 L99 G105 V106 V107 L123 L124 L127 | L63-L103 HydrophobicContact CD1-CD2 4.15Å; I77-L103 HydrophobicContact CD1-CD2 4.35Å; I77-L103 HydrophobicContact CG1-CD2 4.29Å; L99-L103 HydrophobicContact CD1-CD1 3.9Å; L99-L103 HydrophobicContact CD1-CD2 4.22Å; L99-L103 HydrophobicContact CD1-CG 3.71Å; L99-L103 HydrophobicContact CD2-CD1 4.22Å; L99-L103 HydrophobicContact CG-CD1 3.71Å; L99-L103 HydrophobicContact CG-CG 4.01Å; L99-L103 WeakPolarHBondContact O-CB 3.27Å; L99-L103 WeakPolarHBondContact O-CG 3.35Å; L99-L103 PolarHBondContact O-N 2.96Å; L103-G105 VanDerWaalsContact C-N 3.3Å; L103-G105 PolarHBondContact O-N 2.98Å; L103-V106 PolarHBondContact O-N 3.26Å; L103-V107 WeakPolarHBondContact O-CG2 3.31Å; L103-V107 PolarHBondContact O-N 3Å; L103-L123 HydrophobicContact CD1-CB 4.42Å; L103-L123 HydrophobicContact CD1-CD2 3.62Å; L103-L123 HydrophobicContact CD1-CG 3.76Å; L103-L123 HydrophobicContact CD2-CD2 4.41Å; L103-L124 HydrophobicContact CB-CD1 3.54Å; L103-L124 HydrophobicContact CB-CD2 4.45Å; L103-L124 HydrophobicContact CB-CG 3.94Å; L103-L124 HydrophobicContact CD1-CD1 4.36Å; L103-L124 HydrophobicContact CD1-CG 4.44Å; L103-L127 HydrophobicContact CD1-CD1 3.67Å |
| 104 | A | 87.8 | Confident | 80 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -43.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N100 V102 V106 V107 C108 N139 I140 L143 | N100-A104 WeakPolarHBondContact O-CB 3.35Å; N100-A104 PolarHBondContact O-N 3.33Å; V102-A104 PolarHBondContact O-N 2.91Å; A104-V106 PolarHBondContact O-N 2.93Å; A104-V107 WeakPolarHBondContact O-CB 3.38Å; A104-V107 PolarHBondContact O-N 2.88Å; A104-C108 PolarHBondContact O-N 3.09Å; A104-C108 VanDerWaalsContact O-N 3.08Å; A104-N139 HydrophobicContact CB-CB 3.99Å; A104-I140 HydrophobicContact CB-CD1 4.22Å; A104-L143 HydrophobicContact CB-CB 4.32Å; A104-L143 HydrophobicContact CB-CD2 3.86Å |
| 105 | G | 86.7 | Confident | 80.1 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -33.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S101 V102 L103 R109 | S101-G105 PolarHBondContact O-N 3.32Å; S101-G105 VanDerWaalsContact O-N 3.07Å; V102-G105 CarbonylContact O-C 3.55Å; V102-G105 WeakPolarHBondContact O-CA 3.36Å; V102-G105 PolarHBondContact O-N 3.23Å; V102-G105 VanDerWaalsContact O-N 3.08Å; L103-G105 VanDerWaalsContact C-N 3.3Å; L103-G105 PolarHBondContact O-N 2.98Å; G105-R109 WeakPolarHBondContact O-CG 3.32Å; G105-R109 PolarHBondContact O-N 3.08Å; G105-R109 PolarHBondContact O-NE 2.83Å |
| 106 | V | 87.8 | Confident | 80.5 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.5 | -47.6 | 170.2 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | L63 I73 V102 L103 A104 C108 R109 S110 V116 C120 | L63-V106 HydrophobicContact CB-CG2 4.34Å; I73-V106 HydrophobicContact CG2-CG1 4.15Å; V102-V106 PolarHBondContact O-N 3.22Å; L103-V106 PolarHBondContact O-N 3.26Å; A104-V106 PolarHBondContact O-N 2.93Å; V106-C108 PolarHBondContact O-N 2.96Å; V106-R109 PolarHBondContact O-N 3.41Å; V106-R109 VanDerWaalsContact O-N 3.12Å; V106-S110 VanDerWaalsContact O-CB 3.31Å; V106-S110 WeakPolarHBondContact O-CB 3.39Å; V106-S110 PolarHBondContact O-N 3.1Å; V106-S110 PolarHBondContact O-OG 3.02Å; V106-V116 HydrophobicContact CG1-CG1 4.29Å; V106-C120 VanDerWaalsContact CG1-SG 3.55Å |
| 107 | V | 86.1 | Confident | 80.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.6 | -51.8 | 178.6 | 166.4 | 0 | 0 | 0 | 0 | 112 | L103 A104 R109 S110 F117 C120 I121 L124 L143 F146 | L103-V107 WeakPolarHBondContact O-CG2 3.31Å; L103-V107 PolarHBondContact O-N 3Å; A104-V107 WeakPolarHBondContact O-CB 3.38Å; A104-V107 PolarHBondContact O-N 2.88Å; V107-R109 PolarHBondContact O-N 3.21Å; V107-S110 PolarHBondContact O-N 3.49Å; V107-F117 HydrophobicContact CG1-CD2 4.04Å; V107-F117 HydrophobicContact CG1-CE2 3.79Å; V107-C120 HydrophobicContact CG2-CB 3.58Å; V107-I121 HydrophobicContact CG1-CD1 4.11Å; V107-I121 HydrophobicContact CG2-CD1 3.7Å; V107-I121 HydrophobicContact CG2-CG1 4.45Å; V107-L124 HydrophobicContact CG2-CD1 3.99Å; V107-L143 HydrophobicContact CB-CD1 4.32Å; V107-L143 HydrophobicContact CG1-CD1 3.83Å; V107-F146 HydrophobicContact CG1-CD1 4.17Å; V107-F146 HydrophobicContact CG1-CE1 4.14Å |
| 108 | C | 81.6 | Confident | 81.2 | Confident | 35 Ų | 35 | 37.6 Ų | 37.6 | 24% | 0.236 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.9 | -27.3 | -179.5 | -67 | 0 | 0 | 0 | 0 | 113.3 | A104 V106 E142 | A104-C108 PolarHBondContact O-N 3.09Å; A104-C108 VanDerWaalsContact O-N 3.08Å; V106-C108 PolarHBondContact O-N 2.96Å; C108-E142 PolarHBondContact SG-OE2 3.04Å |
| 109 | R | 82.6 | Confident | 81.5 | Confident | 102 Ų | 102 | 36.3 Ų | 36.3 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -88.2 | -28.7 | 178.3 | -68.5 | 176.6 | -65.5 | 166.6 | 2 | 113.9 | L63 E64 G105 V106 V107 | L63-R109 PolarHBondContact O-NH2 3.1Å; E64-R109 PolarHBondContact O-NH1 3.43Å; G105-R109 WeakPolarHBondContact O-CG 3.32Å; G105-R109 PolarHBondContact O-N 3.08Å; G105-R109 PolarHBondContact O-NE 2.83Å; V106-R109 PolarHBondContact O-N 3.41Å; V106-R109 VanDerWaalsContact O-N 3.12Å; V107-R109 PolarHBondContact O-N 3.21Å |
| 110 | S | 71.6 | Confident | 81.7 | Confident | 14 Ų | 14 | 36.3 Ų | 36.3 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | trans | -99.2 | 19.8 | -172.5 | -67 | 0 | 0 | 0 | 0 | 114 | V106 V107 H112 T113 | V106-S110 VanDerWaalsContact O-CB 3.31Å; V106-S110 WeakPolarHBondContact O-CB 3.39Å; V106-S110 PolarHBondContact O-N 3.1Å; V106-S110 PolarHBondContact O-OG 3.02Å; V107-S110 PolarHBondContact O-N 3.49Å; S110-H112 PolarHBondContact O-N 2.95Å; S110-T113 WeakPolarHBondContact CB-OG1 3.33Å; S110-T113 PolarHBondContact O-N 3.43Å; S110-T113 PolarHBondContact O-OG1 3.34Å | ||
| 111 | S | 62.4 | Low | 81.8 | Confident | 46 Ų | 46 | 35.6 Ų | 35.6 | 32% | 0.322 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -5.8 | -178.6 | 56.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 112 | H | 62.3 | Low | 82 | Confident | 172 Ų | 172 | 38.7 Ų | 38.7 | 80% | 0.796 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 12.9 | 173.6 | -55.9 | -37.4 | 0 | 0 | 0 | 113 | S110 | S110-H112 PolarHBondContact O-N 2.95Š|
| 113 | T | 70.4 | Confident | 82.2 | Confident | 54 Ų | 54 | 38.4 Ų | 38.4 | 33% | 0.331 | 20% | 0.204 | S | C | . | . | trans | -137 | 81.2 | -175.6 | 46.1 | 0 | 0 | 0 | 0 | 111.6 | S110 S115 V116 F117 | S110-T113 WeakPolarHBondContact CB-OG1 3.33Å; S110-T113 PolarHBondContact O-N 3.43Å; S110-T113 PolarHBondContact O-OG1 3.34Å; T113-S115 PolarHBondContact O-N 3.39Å; T113-S115 VanDerWaalsContact O-N 3.08Å; T113-V116 WeakPolarHBondContact O-CB 3.46Å; T113-V116 PolarHBondContact O-N 3.37Å; T113-F117 PolarHBondContact O-N 3.32Å | ||
| 114 | D | 71.1 | Confident | 82.3 | Confident | 111 Ų | 111 | 38.5 Ų | 38.5 | 59% | 0.594 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -51.2 | -37.3 | -169.8 | -42 | -31.1 | 0 | 0 | 0 | 114.2 | F117 L118 | D114-F117 PolarHBondContact O-N 3.35Å; D114-L118 VanDerWaalsContact O-CB 3.31Å; D114-L118 WeakPolarHBondContact O-CB 3.32Å; D114-L118 PolarHBondContact O-N 3.12Å |
| 115 | S | 81.1 | Confident | 82.4 | Confident | 72 Ų | 72 | 39.6 Ų | 39.6 | 50% | 0.503 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.3 | -39.6 | 179.2 | 57.7 | 0 | 0 | 0 | 0 | 113.2 | T113 Q119 | T113-S115 PolarHBondContact O-N 3.39Å; T113-S115 VanDerWaalsContact O-N 3.08Å; S115-Q119 WeakPolarHBondContact O-CG 3.28Å; S115-Q119 PolarHBondContact O-N 2.65Å |
| 116 | V | 84.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.6 | -46.6 | 173 | 177 | 0 | 0 | 0 | 0 | 109.2 | A70 I73 L74 V106 T113 Q119 C120 | A70-V116 HydrophobicContact CB-CG2 3.9Å; I73-V116 HydrophobicContact CB-CG1 4.41Å; I73-V116 HydrophobicContact CD1-CG1 4.21Å; I73-V116 HydrophobicContact CG2-CG1 3.69Å; L74-V116 HydrophobicContact CD1-CG2 4.39Å; L74-V116 HydrophobicContact CD2-CG2 4.31Å; L74-V116 HydrophobicContact CG-CG2 4.11Å; V106-V116 HydrophobicContact CG1-CG1 4.29Å; T113-V116 WeakPolarHBondContact O-CB 3.46Å; T113-V116 PolarHBondContact O-N 3.37Å; V116-Q119 PolarHBondContact O-N 3.02Å; V116-C120 WeakPolarHBondContact O-CB 3.32Å; V116-C120 PolarHBondContact O-N 3.03Å; V116-C120 PolarHBondContact O-SG 3.45Å |
| 117 | F | 83.8 | Confident | 82.6 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57 | -52.2 | 179.5 | 173.6 | -108 | 0 | 0 | 0 | 112.2 | V107 T113 D114 Q119 C120 I121 F146 L158 | V107-F117 HydrophobicContact CG1-CD2 4.04Å; V107-F117 HydrophobicContact CG1-CE2 3.79Å; T113-F117 PolarHBondContact O-N 3.32Å; D114-F117 PolarHBondContact O-N 3.35Å; F117-Q119 PolarHBondContact O-N 3.05Å; F117-C120 WeakPolarHBondContact O-CB 3.41Å; F117-C120 PolarHBondContact O-N 2.78Å; F117-I121 HydrophobicContact CD2-CD1 4.4Å; F117-I121 HydrophobicContact CD2-CG1 3.97Å; F117-I121 HydrophobicContact CE1-CG1 4.17Å; F117-I121 HydrophobicContact CE2-CD1 3.66Å; F117-I121 HydrophobicContact CE2-CG1 3.42Å; F117-I121 VanDerWaalsContact CE2-CG1 3.42Å; F117-I121 HydrophobicContact CZ-CD1 4.07Å; F117-I121 HydrophobicContact CZ-CG1 3.55Å; F117-I121 WeakPolarHBondContact O-CG1 3.47Å; F117-I121 PolarHBondContact O-N 3.46Å; F117-F146 HydrophobicContact CD2-CE1 4.19Å; F117-F146 HydrophobicContact CD2-CZ 4.35Å; F117-F146 HydrophobicContact CE2-CD1 4.25Å; F117-F146 AromaticContact CE2-CE1 3.3Å; F117-F146 HydrophobicContact CE2-CE1 3.3Å; F117-F146 AromaticContact CE2-CZ 3.88Å; F117-F146 HydrophobicContact CE2-CZ 3.88Å; F117-F146 AromaticContact CZ-CE1 3.64Å; F117-F146 HydrophobicContact CZ-CE1 3.64Å; F117-F146 HydrophobicContact CZ-CZ 4.39Å; F117-L158 HydrophobicContact CD1-CD1 3.94Å; F117-L158 HydrophobicContact CD1-CD2 3.88Å; F117-L158 HydrophobicContact CD1-CG 4.45Å; F117-L158 HydrophobicContact CE1-CB 4.25Å; F117-L158 HydrophobicContact CE1-CD1 3.89Å; F117-L158 HydrophobicContact CE1-CD2 3.93Å; F117-L158 HydrophobicContact CE1-CG 4.24Å |
| 118 | L | 87.2 | Confident | 82.7 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.3 | -45.1 | 179.9 | -180 | 61 | 0 | 0 | 0 | 112.2 | D114 I121 Q122 L158 P161 | D114-L118 VanDerWaalsContact O-CB 3.31Å; D114-L118 WeakPolarHBondContact O-CB 3.32Å; D114-L118 PolarHBondContact O-N 3.12Å; L118-I121 PolarHBondContact O-N 2.95Å; L118-Q122 HydrophobicContact CD1-CG 4.37Å; L118-Q122 WeakPolarHBondContact O-CB 3.36Å; L118-Q122 VanDerWaalsContact O-CG 3.27Å; L118-Q122 WeakPolarHBondContact O-CG 3.15Å; L118-Q122 PolarHBondContact O-N 2.85Å; L118-L158 HydrophobicContact CD1-CD2 4.4Å; L118-P161 HydrophobicContact CD1-CB 4.36Å; L118-P161 HydrophobicContact CD1-CG 3.81Å |
| 119 | Q | 88.4 | Confident | 83.1 | Confident | 64 Ų | 64 | 43 Ų | 43 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.5 | -35.3 | 178.1 | -70.5 | -58.8 | -54.3 | 0 | 0 | 112.5 | L74 I77 S115 V116 F117 L123 | L74-Q119 HydrophobicContact CD2-CB 4.04Å; L74-Q119 HydrophobicContact CD2-CG 3.88Å; I77-Q119 HydrophobicContact CG2-CB 3.99Å; S115-Q119 WeakPolarHBondContact O-CG 3.28Å; S115-Q119 PolarHBondContact O-N 2.65Å; V116-Q119 PolarHBondContact O-N 3.02Å; F117-Q119 PolarHBondContact O-N 3.05Å; Q119-L123 PolarHBondContact O-N 3.36Å; Q119-L123 VanDerWaalsContact O-N 3.09Å |
| 120 | C | 90.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -57.9 | 170.4 | -68.1 | 0 | 0 | 0 | 0 | 110.7 | I77 V106 V107 V116 F117 Q122 L123 L124 | I77-C120 HydrophobicContact CD1-CB 4.45Å; I77-C120 WeakPolarHBondContact CD1-SG 3.37Å; V106-C120 VanDerWaalsContact CG1-SG 3.55Å; V107-C120 HydrophobicContact CG2-CB 3.58Å; V116-C120 WeakPolarHBondContact O-CB 3.32Å; V116-C120 PolarHBondContact O-N 3.03Å; V116-C120 PolarHBondContact O-SG 3.45Å; F117-C120 WeakPolarHBondContact O-CB 3.41Å; F117-C120 PolarHBondContact O-N 2.78Å; C120-Q122 VanDerWaalsContact C-N 3.29Å; C120-Q122 PolarHBondContact O-N 2.98Å; C120-L123 CarbonylContact O-C 3.53Å; C120-L123 WeakPolarHBondContact O-CA 3.49Å; C120-L123 PolarHBondContact O-N 3.42Å; C120-L124 HydrophobicContact CB-CD1 4.15Å; C120-L124 WeakPolarHBondContact O-CD1 3.32Å; C120-L124 PolarHBondContact O-N 2.9Å |
| 121 | I | 90.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -38.1 | -175.2 | -58.8 | -62.1 | 0 | 0 | 0 | 111.6 | V107 F117 L118 L123 L124 Q125 L143 L147 P161 L165 | V107-I121 HydrophobicContact CG1-CD1 4.11Å; V107-I121 HydrophobicContact CG2-CD1 3.7Å; V107-I121 HydrophobicContact CG2-CG1 4.45Å; F117-I121 HydrophobicContact CD2-CD1 4.4Å; F117-I121 HydrophobicContact CD2-CG1 3.97Å; F117-I121 HydrophobicContact CE1-CG1 4.17Å; F117-I121 HydrophobicContact CE2-CD1 3.66Å; F117-I121 HydrophobicContact CE2-CG1 3.42Å; F117-I121 VanDerWaalsContact CE2-CG1 3.42Å; F117-I121 HydrophobicContact CZ-CD1 4.07Å; F117-I121 HydrophobicContact CZ-CG1 3.55Å; F117-I121 WeakPolarHBondContact O-CG1 3.47Å; F117-I121 PolarHBondContact O-N 3.46Å; L118-I121 PolarHBondContact O-N 2.95Å; I121-L123 PolarHBondContact O-N 3.2Å; I121-L124 PolarHBondContact O-N 2.94Å; I121-Q125 VanDerWaalsContact O-CB 3.29Å; I121-Q125 WeakPolarHBondContact O-CB 3.3Å; I121-Q125 PolarHBondContact O-N 3.36Å; I121-L143 HydrophobicContact CD1-CD1 4.41Å; I121-L147 HydrophobicContact CD1-CD2 4.24Å; I121-P161 HydrophobicContact CB-CB 4.43Å; I121-P161 HydrophobicContact CG2-CB 3.78Å; I121-P161 WeakPolarHBondContact CG2-O 3.4Å; I121-L165 HydrophobicContact CD1-CD2 3.78Å; I121-L165 HydrophobicContact CG2-CB 4.04Å; I121-L165 HydrophobicContact CG2-CD2 4.02Å |
| 122 | Q | 90.3 | Very high | 84 | Confident | 76 Ų | 76 | 48.2 Ų | 48.2 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.3 | -38.7 | 173.4 | -73.5 | 176.8 | 2.3 | 0 | 0 | 112.7 | L118 C120 K126 | L118-Q122 HydrophobicContact CD1-CG 4.37Å; L118-Q122 WeakPolarHBondContact O-CB 3.36Å; L118-Q122 VanDerWaalsContact O-CG 3.27Å; L118-Q122 WeakPolarHBondContact O-CG 3.15Å; L118-Q122 PolarHBondContact O-N 2.85Å; C120-Q122 VanDerWaalsContact C-N 3.29Å; C120-Q122 PolarHBondContact O-N 2.98Å; Q122-K126 WeakPolarHBondContact O-CG 3.36Å; Q122-K126 PolarHBondContact O-N 3.02Å |
| 123 | L | 91.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.5 | -47.4 | 174.1 | -179 | 55.1 | 0 | 0 | 0 | 111.7 | I77 L80 A84 L103 Q119 C120 I121 Q125 K126 L127 | I77-L123 HydrophobicContact CB-CD2 4.42Å; I77-L123 HydrophobicContact CG1-CD2 4.46Å; I77-L123 HydrophobicContact CG2-CB 4.17Å; I77-L123 HydrophobicContact CG2-CD2 3.9Å; L80-L123 HydrophobicContact CB-CD2 3.85Å; A84-L123 HydrophobicContact CB-CD1 4.35Å; L103-L123 HydrophobicContact CD1-CB 4.42Å; L103-L123 HydrophobicContact CD1-CD2 3.62Å; L103-L123 HydrophobicContact CD1-CG 3.76Å; L103-L123 HydrophobicContact CD2-CD2 4.41Å; Q119-L123 PolarHBondContact O-N 3.36Å; Q119-L123 VanDerWaalsContact O-N 3.09Å; C120-L123 CarbonylContact O-C 3.53Å; C120-L123 WeakPolarHBondContact O-CA 3.49Å; C120-L123 PolarHBondContact O-N 3.42Å; I121-L123 PolarHBondContact O-N 3.2Å; L123-Q125 VanDerWaalsContact C-N 3.25Å; L123-Q125 PolarHBondContact O-N 3.09Å; L123-K126 WeakPolarHBondContact O-CB 3.04Å; L123-K126 PolarHBondContact O-N 2.92Å; L123-L127 HydrophobicContact CD1-CD1 4.14Å; L123-L127 HydrophobicContact CD1-CD2 4.33Å; L123-L127 HydrophobicContact CD1-CG 4.01Å; L123-L127 HydrophobicContact CG-CD1 3.97Å; L123-L127 HydrophobicContact CG-CG 4.31Å; L123-L127 WeakPolarHBondContact O-CG 3.4Å; L123-L127 PolarHBondContact O-N 2.97Å |
| 124 | L | 90.9 | Very high | 84 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.3 | -41.9 | 173.9 | -81.2 | 103.5 | 0 | 0 | 0 | 111 | L103 V107 C120 I121 K126 L127 T128 L143 L165 | L103-L124 HydrophobicContact CB-CD1 3.54Å; L103-L124 HydrophobicContact CB-CD2 4.45Å; L103-L124 HydrophobicContact CB-CG 3.94Å; L103-L124 HydrophobicContact CD1-CD1 4.36Å; L103-L124 HydrophobicContact CD1-CG 4.44Å; V107-L124 HydrophobicContact CG2-CD1 3.99Å; C120-L124 HydrophobicContact CB-CD1 4.15Å; C120-L124 WeakPolarHBondContact O-CD1 3.32Å; C120-L124 PolarHBondContact O-N 2.9Å; I121-L124 PolarHBondContact O-N 2.94Å; L124-K126 VanDerWaalsContact C-N 3.32Å; L124-K126 PolarHBondContact O-N 2.69Å; L124-L127 PolarHBondContact O-N 3.2Å; L124-T128 VanDerWaalsContact O-CB 3.32Å; L124-T128 WeakPolarHBondContact O-CB 3.41Å; L124-T128 WeakPolarHBondContact O-CG2 3.34Å; L124-T128 PolarHBondContact O-N 2.9Å; L124-T128 PolarHBondContact O-OG1 3.27Å; L124-L143 HydrophobicContact CD2-CD2 3.68Å; L124-L165 HydrophobicContact CB-CD1 3.81Å; L124-L165 HydrophobicContact CB-CD2 3.71Å; L124-L165 HydrophobicContact CB-CG 4.42Å; L124-L165 HydrophobicContact CD2-CD2 4.04Å; L124-L165 HydrophobicContact CG-CD2 4.41Å |
| 125 | Q | 91.6 | Very high | 83.5 | Confident | 23 Ų | 23 | 43 Ų | 43 | 11% | 0.107 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -32.6 | 177.9 | -168.9 | -171.9 | 11.1 | 0 | 0 | 112.7 | I121 L123 Y129 G164 L165 N168 F207 Y253 | I121-Q125 VanDerWaalsContact O-CB 3.29Å; I121-Q125 WeakPolarHBondContact O-CB 3.3Å; I121-Q125 PolarHBondContact O-N 3.36Å; L123-Q125 VanDerWaalsContact C-N 3.25Å; L123-Q125 PolarHBondContact O-N 3.09Å; Q125-Y129 WeakPolarHBondContact O-CB 3.32Å; Q125-G164 VanDerWaalsContact NE2-CA 3.29Å; Q125-L165 HydrophobicContact CB-CB 4.49Å; Q125-N168 PolarHBondContact O-ND2 3.38Å; Q125-F207 VanDerWaalsContact NE2-CZ 3.3Å; Q125-Y253 WeakPolarHBondContact CG-OH 3.43Å; Q125-Y253 PolarHBondContact NE2-OH 3.18Å |
| 126 | K | 89 | Confident | 82.3 | Confident | 84 Ų | 84 | 45.4 Ų | 45.4 | 37% | 0.365 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -69 | -47.8 | 171.1 | -73.4 | 176.5 | 174.4 | -176.5 | 0 | 111.8 | S81 Q122 L123 L124 | S81-K126 PolarHBondContact O-NZ 3.32Å; S81-K126 PolarHBondContact OG-NZ 3.2Å; Q122-K126 WeakPolarHBondContact O-CG 3.36Å; Q122-K126 PolarHBondContact O-N 3.02Å; L123-K126 WeakPolarHBondContact O-CB 3.04Å; L123-K126 PolarHBondContact O-N 2.92Å; L124-K126 VanDerWaalsContact C-N 3.32Å; L124-K126 PolarHBondContact O-N 2.69Å |
| 127 | L | 88.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69 | -42.8 | -174.9 | -62.7 | 173.6 | 0 | 0 | 0 | 112.6 | A84 R90 Q94 L99 N100 L103 L123 L124 Y129 | A84-L127 HydrophobicContact CB-CD2 3.78Å; R90-L127 HydrophobicContact CG-CD2 3.9Å; Q94-L127 PolarHBondContact OE1-O 2.94Å; L99-L127 HydrophobicContact CB-CD1 4.48Å; L99-L127 HydrophobicContact CD2-CD1 3.61Å; L99-L127 HydrophobicContact CD2-CD2 4.45Å; L99-L127 HydrophobicContact CG-CD1 3.85Å; N100-L127 WeakPolarHBondContact OD1-CB 3.18Å; N100-L127 WeakPolarHBondContact OD1-CD1 3.28Å; L103-L127 HydrophobicContact CD1-CD1 3.67Å; L123-L127 HydrophobicContact CD1-CD1 4.14Å; L123-L127 HydrophobicContact CD1-CD2 4.33Å; L123-L127 HydrophobicContact CD1-CG 4.01Å; L123-L127 HydrophobicContact CG-CD1 3.97Å; L123-L127 HydrophobicContact CG-CG 4.31Å; L123-L127 WeakPolarHBondContact O-CG 3.4Å; L123-L127 PolarHBondContact O-N 2.97Å; L124-L127 PolarHBondContact O-N 3.2Å; L127-Y129 VanDerWaalsContact C-N 3.28Å; L127-Y129 PolarHBondContact O-N 2.85Å |
| 128 | T | 89.2 | Confident | 79.9 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -75.6 | -11 | -177.7 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | L124 N130 I133 L165 N168 L169 | L124-T128 VanDerWaalsContact O-CB 3.32Å; L124-T128 WeakPolarHBondContact O-CB 3.41Å; L124-T128 WeakPolarHBondContact O-CG2 3.34Å; L124-T128 PolarHBondContact O-N 2.9Å; L124-T128 PolarHBondContact O-OG1 3.27Å; T128-N130 PolarHBondContact O-N 3.45Å; T128-I133 HydrophobicContact CG2-CD1 4.05Å; T128-I133 HydrophobicContact CG2-CG1 4.34Å; T128-L165 HydrophobicContact CG2-CD1 3.91Å; T128-L165 VanDerWaalsContact OG1-CD1 3.31Å; T128-L165 WeakPolarHBondContact OG1-CD1 3.1Å; T128-N168 WeakPolarHBondContact OG1-CB 3.24Å; T128-N168 PolarHBondContact OG1-ND2 3.17Å; T128-L169 HydrophobicContact CG2-CD2 4.11Å |
| 129 | Y | 89.8 | Confident | 79.4 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 11% | 0.106 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 122.2 | -173.2 | 171.4 | -96.8 | 0 | 0 | 0 | 112 | Q125 L127 V131 N168 K252 Y253 D256 K298 | Q125-Y129 WeakPolarHBondContact O-CB 3.32Å; L127-Y129 VanDerWaalsContact C-N 3.28Å; L127-Y129 PolarHBondContact O-N 2.85Å; Y129-V131 PolarHBondContact O-N 2.83Å; Y129-N168 PolarHBondContact N-ND2 3.28Å; Y129-K252 HydrophobicContact CD1-CD 4.43Å; Y129-K252 HydrophobicContact CE1-CD 3.66Å; Y129-K252 HydrophobicContact CE1-CG 4.33Å; Y129-K252 HydrophobicContact CE2-CD 3.86Å; Y129-K252 VanDerWaalsContact CE2-CE 3.41Å; Y129-K252 HydrophobicContact CE2-CG 3.93Å; Y129-K252 VanDerWaalsContact CG-NZ 3.27Å; Y129-K252 VanDerWaalsContact CZ-CE 3.4Å; Y129-K252 WeakPolarHBondContact OH-CD 3.47Å; Y129-K252 WeakPolarHBondContact OH-CG 3.1Å; Y129-Y253 HydrophobicContact CD2-CE2 4.14Å; Y129-Y253 HydrophobicContact CE2-CE2 4.31Å; Y129-D256 WeakPolarHBondContact CE2-OD2 3.32Å; Y129-D256 PolarHBondContact OH-OD1 2.88Å; Y129-D256 PolarHBondContact OH-OD2 2.93Å; Y129-K298 WeakPolarHBondContact OH-CE 3.45Å; Y129-K298 PolarHBondContact OH-NZ 2.96Å |
| 130 | N | 82.1 | Confident | 79.1 | Confident | 82 Ų | 82 | 47.3 Ų | 47.3 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 12 | -178.8 | -107.6 | -37.2 | 0 | 0 | 0 | 116.2 | T128 R171 | T128-N130 PolarHBondContact O-N 3.45Å; N130-R171 PolarHBondContact OD1-NH1 3.44Å |
| 131 | V | 80.1 | Confident | 78.9 | Confident | 34 Ų | 34 | 50.6 Ų | 50.6 | 21% | 0.206 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -107.2 | 143.9 | 177.5 | -157 | 0 | 0 | 0 | 0 | 111.4 | Y129 I133 | Y129-V131 PolarHBondContact O-N 2.83Å; V131-I133 PolarHBondContact O-N 2.95Å |
| 132 | K | 71.7 | Confident | 78.7 | Confident | 157 Ų | 157 | 55.8 Ų | 55.8 | 68% | 0.683 | 29% | 0.291 | S | S | * | . | trans | -67.5 | 128.6 | 170.2 | -67.6 | 177.6 | -178.9 | 173.3 | 0 | 109.5 | Q94 | Q94-K132 PolarHBondContact NE2-O 3.16Š| ||
| 133 | I | 72.2 | Confident | 78.7 | Confident | 14 Ų | 14 | 52.2 Ų | 52.2 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | trans | -104.1 | 121.3 | -175.2 | -68.7 | 144.7 | 0 | 0 | 0 | 109.4 | T128 V131 Y135 L169 N173 | T128-I133 HydrophobicContact CG2-CD1 4.05Å; T128-I133 HydrophobicContact CG2-CG1 4.34Å; V131-I133 PolarHBondContact O-N 2.95Å; I133-Y135 PolarHBondContact O-N 2.75Å; I133-L169 HydrophobicContact CD1-CD2 3.76Å; I133-N173 WeakPolarHBondContact CD1-ND2 3.33Å; I133-N173 PolarHBondContact N-OD1 3.07Å | ||
| 134 | F | 62.1 | Low | 78.7 | Confident | 147 Ų | 147 | 52.2 Ų | 52.2 | 65% | 0.645 | 28% | 0.275 | S | S | * | . | trans | -74.8 | 97.8 | 178.3 | -63.7 | -71.9 | 0 | 0 | 0 | 110.6 | S136 G137 | F134-S136 PolarHBondContact O-N 2.99Å; F134-G137 PolarHBondContact O-N 3.17Å | ||
| 135 | Y | 60 | Low | 78.6 | Confident | 67 Ų | 67 | 54.8 Ų | 54.8 | 26% | 0.263 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -8.7 | 175.7 | -177 | -110.4 | 0 | 0 | 0 | 114.5 | I133 G137 I140 D141 I144 S175 V176 H179 | I133-Y135 PolarHBondContact O-N 2.75Å; Y135-G137 PolarHBondContact O-N 2.74Å; Y135-I140 HydrophobicContact CD2-CG2 4.36Å; Y135-D141 WeakPolarHBondContact CE2-OD1 3.46Å; Y135-D141 PolarHBondContact OH-OD1 3.45Å; Y135-I144 HydrophobicContact CE2-CD1 4.28Å; Y135-S175 WeakPolarHBondContact CB-OG 3.35Å; Y135-V176 HydrophobicContact CD2-CG2 3.9Å; Y135-H179 HydrophobicContact CE2-CB 4.31Å; Y135-H179 AromaticContact CZ-ND1 3.98Å; Y135-H179 PolarHBondContact OH-ND1 2.84Å |
| 136 | S | 55.1 | Low | 78.5 | Confident | 122 Ų | 122 | 55.4 Ų | 55.4 | 85% | 0.853 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -0.7 | 169.9 | -47.7 | 0 | 0 | 0 | 0 | 114.3 | F134 | F134-S136 PolarHBondContact O-N 2.99Š|
| 137 | G | 59.2 | Low | 78.7 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 22% | 0.216 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -74.3 | 136.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F134 Y135 I140 | F134-G137 PolarHBondContact O-N 3.17Å; Y135-G137 PolarHBondContact O-N 2.74Å; G137-I140 WeakPolarHBondContact O-CG1 3.25Å |
| 138 | A | 60 | Low | 78.9 | Confident | 63 Ų | 63 | 51.5 Ų | 51.5 | 52% | 0.521 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 152 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S101 I140 | S101-A138 PolarHBondContact OG-O 3.3Å; A138-I140 PolarHBondContact O-N 3.36Å |
| 139 | N | 75.1 | Confident | 78.9 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 33% | 0.326 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | -3.2 | 178.3 | -35.5 | -39.5 | 0 | 0 | 0 | 115.9 | S101 A104 L143 | S101-N139 PolarHBondContact O-ND2 3.21Å; S101-N139 VanDerWaalsContact O-ND2 3.16Å; A104-N139 HydrophobicContact CB-CB 3.99Å; N139-L143 WeakPolarHBondContact O-CB 3.46Å; N139-L143 PolarHBondContact O-N 3.18Å |
| 140 | I | 82.8 | Confident | 78.9 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 5% | 0.046 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.3 | -38.7 | -178.8 | -60.2 | -61.2 | 0 | 0 | 0 | 112.5 | A104 Y135 G137 A138 L143 I144 | A104-I140 HydrophobicContact CB-CD1 4.22Å; Y135-I140 HydrophobicContact CD2-CG2 4.36Å; G137-I140 WeakPolarHBondContact O-CG1 3.25Å; A138-I140 PolarHBondContact O-N 3.36Å; I140-L143 PolarHBondContact O-N 2.85Å; I140-I144 HydrophobicContact CG2-CD1 4.05Å; I140-I144 VanDerWaalsContact O-CG1 3.31Å; I140-I144 WeakPolarHBondContact O-CG1 3.28Å; I140-I144 PolarHBondContact O-N 2.97Å |
| 141 | D | 85.1 | Confident | 79.4 | Confident | 69 Ų | 69 | 52.7 Ų | 52.7 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 174.9 | -76.2 | -47.2 | 0 | 0 | 0 | 112.1 | Y135 L143 I144 T145 H179 | Y135-D141 WeakPolarHBondContact CE2-OD1 3.46Å; Y135-D141 PolarHBondContact OH-OD1 3.45Å; D141-L143 VanDerWaalsContact C-N 3.34Å; D141-L143 PolarHBondContact O-N 3.02Å; D141-I144 PolarHBondContact O-N 3.42Å; D141-T145 PolarHBondContact O-N 2.82Å; D141-T145 VanDerWaalsContact O-N 3.13Å; D141-T145 PolarHBondContact O-OG1 3.03Å; D141-H179 IonicContact OD1-CE1 3.62Å; D141-H179 PolarHBondContact OD1-CE1 3.13Å; D141-H179 IonicContact OD1-CG 3.95Å; D141-H179 IonicContact OD1-ND1 3.81Å; D141-H179 PolarHBondContact OD1-ND1 3Å; D141-H179 VanDerWaalsContact OD1-ND1 3.11Å; D141-H179 IonicContact OD1-NE2 3.97Å |
| 142 | E | 86.5 | Confident | 79.8 | Confident | 109 Ų | 109 | 54.3 Ų | 54.3 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | 175.4 | -62.2 | -175.3 | 173.8 | 0 | 0 | 111.4 | C108 I144 T145 F146 | C108-E142 PolarHBondContact SG-OE2 3.04Å; E142-I144 VanDerWaalsContact C-N 3.31Å; E142-I144 PolarHBondContact O-N 2.91Å; E142-T145 PolarHBondContact O-N 3.5Å; E142-T145 PolarHBondContact O-OG1 3.34Å; E142-F146 WeakPolarHBondContact O-CB 3.42Å; E142-F146 PolarHBondContact O-N 3Å |
| 143 | L | 89.9 | Confident | 80.5 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 175.3 | 178.5 | 65.2 | 0 | 0 | 0 | 111.9 | A104 V107 I121 L124 N139 I140 D141 L147 L165 L169 | A104-L143 HydrophobicContact CB-CB 4.32Å; A104-L143 HydrophobicContact CB-CD2 3.86Å; V107-L143 HydrophobicContact CB-CD1 4.32Å; V107-L143 HydrophobicContact CG1-CD1 3.83Å; I121-L143 HydrophobicContact CD1-CD1 4.41Å; L124-L143 HydrophobicContact CD2-CD2 3.68Å; N139-L143 WeakPolarHBondContact O-CB 3.46Å; N139-L143 PolarHBondContact O-N 3.18Å; I140-L143 PolarHBondContact O-N 2.85Å; D141-L143 VanDerWaalsContact C-N 3.34Å; D141-L143 PolarHBondContact O-N 3.02Å; L143-L147 HydrophobicContact CD1-CD1 4.01Å; L143-L147 HydrophobicContact CD1-CG 4.05Å; L143-L147 HydrophobicContact CG-CD1 3.88Å; L143-L147 HydrophobicContact CG-CG 4.36Å; L143-L147 WeakPolarHBondContact O-CB 3.45Å; L143-L147 WeakPolarHBondContact O-CD1 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.39Å; L143-L147 PolarHBondContact O-N 3.43Å; L143-L165 HydrophobicContact CD1-CD2 4.44Å; L143-L165 HydrophobicContact CD2-CD2 4.39Å; L143-L169 HydrophobicContact CD2-CD1 4.43Å |
| 144 | I | 91.4 | Very high | 80.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.1 | -47.6 | 177.9 | -71.7 | 161.3 | 0 | 0 | 0 | 111.1 | Y135 I140 D141 E142 L147 I148 L169 V176 I180 | Y135-I144 HydrophobicContact CE2-CD1 4.28Å; I140-I144 HydrophobicContact CG2-CD1 4.05Å; I140-I144 VanDerWaalsContact O-CG1 3.31Å; I140-I144 WeakPolarHBondContact O-CG1 3.28Å; I140-I144 PolarHBondContact O-N 2.97Å; D141-I144 PolarHBondContact O-N 3.42Å; E142-I144 VanDerWaalsContact C-N 3.31Å; E142-I144 PolarHBondContact O-N 2.91Å; I144-L147 PolarHBondContact O-N 2.67Å; I144-I148 HydrophobicContact CG2-CD1 3.94Å; I144-I148 WeakPolarHBondContact O-CG1 3.22Å; I144-I148 PolarHBondContact O-N 2.79Å; I144-I148 VanDerWaalsContact O-N 3.13Å; I144-L169 HydrophobicContact CG1-CD1 4.04Å; I144-V176 HydrophobicContact CD1-CG1 3.91Å; I144-V176 HydrophobicContact CD1-CG2 4.34Å; I144-I180 HydrophobicContact CG2-CD1 4.04Å; I144-I180 HydrophobicContact CG2-CG1 3.63Å |
| 145 | T | 89.8 | Confident | 80.6 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 178.7 | 55.7 | 0 | 0 | 0 | 0 | 111.2 | D141 E142 L147 I148 D149 | D141-T145 PolarHBondContact O-N 2.82Å; D141-T145 VanDerWaalsContact O-N 3.13Å; D141-T145 PolarHBondContact O-OG1 3.03Å; E142-T145 PolarHBondContact O-N 3.5Å; E142-T145 PolarHBondContact O-OG1 3.34Å; T145-L147 PolarHBondContact O-N 2.98Å; T145-I148 PolarHBondContact O-N 2.95Å; T145-I148 VanDerWaalsContact O-N 3.16Å; T145-D149 PolarHBondContact O-N 3.47Å |
| 146 | F | 89.4 | Confident | 81 | Confident | 36 Ų | 36 | 53.8 Ų | 53.8 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.2 | -47.6 | 175.5 | -174.3 | -76.5 | 0 | 0 | 0 | 112.4 | V107 F117 E142 D149 H150 | V107-F146 HydrophobicContact CG1-CD1 4.17Å; V107-F146 HydrophobicContact CG1-CE1 4.14Å; F117-F146 HydrophobicContact CD2-CE1 4.19Å; F117-F146 HydrophobicContact CD2-CZ 4.35Å; F117-F146 HydrophobicContact CE2-CD1 4.25Å; F117-F146 AromaticContact CE2-CE1 3.3Å; F117-F146 HydrophobicContact CE2-CE1 3.3Å; F117-F146 AromaticContact CE2-CZ 3.88Å; F117-F146 HydrophobicContact CE2-CZ 3.88Å; F117-F146 AromaticContact CZ-CE1 3.64Å; F117-F146 HydrophobicContact CZ-CE1 3.64Å; F117-F146 HydrophobicContact CZ-CZ 4.39Å; E142-F146 WeakPolarHBondContact O-CB 3.42Å; E142-F146 PolarHBondContact O-N 3Å; F146-D149 PolarHBondContact O-N 3.43Å; F146-H150 AromaticContact CD1-CD2 3.73Å; F146-H150 AromaticContact CE1-CD2 3.24Å; F146-H150 WeakPolarHBondContact CE1-CD2 3.4Å; F146-H150 AromaticContact CE1-NE2 3.49Å; F146-H150 WeakPolarHBondContact CE1-NE2 3.38Å; F146-H150 AromaticContact CE2-NE2 3.84Å; F146-H150 AromaticContact CZ-CD2 3.47Å; F146-H150 VanDerWaalsContact CZ-CD2 3.47Å; F146-H150 WeakPolarHBondContact CZ-CD2 3.34Å; F146-H150 AromaticContact CZ-NE2 3.2Å; F146-H150 WeakPolarHBondContact CZ-NE2 3.46Å; F146-H150 PolarHBondContact O-CD2 2.86Å; F146-H150 PolarHBondContact O-N 3Å |
| 147 | L | 91.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 178.1 | -74 | 168.6 | 0 | 0 | 0 | 112 | I121 L143 I144 T145 H150 I151 C162 L165 L166 L169 | I121-L147 HydrophobicContact CD1-CD2 4.24Å; L143-L147 HydrophobicContact CD1-CD1 4.01Å; L143-L147 HydrophobicContact CD1-CG 4.05Å; L143-L147 HydrophobicContact CG-CD1 3.88Å; L143-L147 HydrophobicContact CG-CG 4.36Å; L143-L147 WeakPolarHBondContact O-CB 3.45Å; L143-L147 WeakPolarHBondContact O-CD1 3.3Å; L143-L147 WeakPolarHBondContact O-CG 3.39Å; L143-L147 PolarHBondContact O-N 3.43Å; I144-L147 PolarHBondContact O-N 2.67Å; T145-L147 PolarHBondContact O-N 2.98Å; L147-H150 PolarHBondContact O-N 3.29Å; L147-I151 VanDerWaalsContact O-CD1 3.28Å; L147-I151 WeakPolarHBondContact O-CD1 3.31Å; L147-I151 WeakPolarHBondContact O-CG1 3.38Å; L147-I151 PolarHBondContact O-N 2.92Å; L147-C162 HydrophobicContact CD2-CB 3.65Å; L147-L165 HydrophobicContact CD1-CD2 3.93Å; L147-L165 HydrophobicContact CD1-CG 3.96Å; L147-L165 HydrophobicContact CD2-CD2 4.21Å; L147-L166 HydrophobicContact CD1-CB 4.35Å; L147-L166 HydrophobicContact CD1-CD1 4.47Å; L147-L169 HydrophobicContact CD1-CD1 3.72Å |
| 148 | I | 92.9 | Very high | 82.8 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 179.8 | -73.4 | 170.2 | 0 | 0 | 0 | 111.2 | I144 T145 I151 Q152 L166 I180 L183 F189 | I144-I148 HydrophobicContact CG2-CD1 3.94Å; I144-I148 WeakPolarHBondContact O-CG1 3.22Å; I144-I148 PolarHBondContact O-N 2.79Å; I144-I148 VanDerWaalsContact O-N 3.13Å; T145-I148 PolarHBondContact O-N 2.95Å; T145-I148 VanDerWaalsContact O-N 3.16Å; I148-I151 PolarHBondContact O-N 3.32Å; I148-Q152 WeakPolarHBondContact O-CG 3.27Å; I148-Q152 PolarHBondContact O-N 3.34Å; I148-Q152 VanDerWaalsContact O-N 3.07Å; I148-L166 HydrophobicContact CG1-CD2 3.8Å; I148-I180 HydrophobicContact CD1-CG1 4.26Å; I148-I180 HydrophobicContact CD1-CG2 4.18Å; I148-L183 HydrophobicContact CD1-CD1 3.5Å; I148-L183 VanDerWaalsContact CD1-CD1 3.5Å; I148-F189 HydrophobicContact CG1-CE1 4.32Å; I148-F189 HydrophobicContact CG1-CE2 4.16Å; I148-F189 HydrophobicContact CG1-CZ 4.06Å; I148-F189 HydrophobicContact CG2-CD2 3.91Å; I148-F189 HydrophobicContact CG2-CE2 4.27Å; I148-F189 HydrophobicContact CG2-CG 4.21Å |
| 149 | D | 90 | Very high | 84.2 | Confident | 92 Ų | 92 | 53.9 Ų | 53.9 | 49% | 0.492 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.1 | -40.5 | 179.8 | -71.3 | -13.9 | 0 | 0 | 0 | 111.8 | T145 F146 I151 Q152 S153 | T145-D149 PolarHBondContact O-N 3.47Å; F146-D149 PolarHBondContact O-N 3.43Å; D149-I151 VanDerWaalsContact C-N 3.28Å; D149-I151 PolarHBondContact O-N 2.94Å; D149-Q152 CarbonylContact O-C 3.58Å; D149-Q152 PolarHBondContact O-N 2.85Å; D149-Q152 VanDerWaalsContact O-N 3.11Å; D149-S153 PolarHBondContact O-N 2.88Å |
| 150 | H | 88.9 | Confident | 84.9 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.9 | -27.8 | 171.9 | -88 | -91.4 | 0 | 0 | 0 | 113.4 | F146 L147 S153 | F146-H150 AromaticContact CD1-CD2 3.73Å; F146-H150 AromaticContact CE1-CD2 3.24Å; F146-H150 WeakPolarHBondContact CE1-CD2 3.4Å; F146-H150 AromaticContact CE1-NE2 3.49Å; F146-H150 WeakPolarHBondContact CE1-NE2 3.38Å; F146-H150 AromaticContact CE2-NE2 3.84Å; F146-H150 AromaticContact CZ-CD2 3.47Å; F146-H150 VanDerWaalsContact CZ-CD2 3.47Å; F146-H150 WeakPolarHBondContact CZ-CD2 3.34Å; F146-H150 AromaticContact CZ-NE2 3.2Å; F146-H150 WeakPolarHBondContact CZ-NE2 3.46Å; F146-H150 PolarHBondContact O-CD2 2.86Å; F146-H150 PolarHBondContact O-N 3Å; L147-H150 PolarHBondContact O-N 3.29Å; H150-S153 PolarHBondContact O-OG 3.14Å |
| 151 | I | 92.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.3 | -30.9 | 172.3 | -67.6 | 161.7 | 0 | 0 | 0 | 111.7 | L147 I148 D149 K159 C162 L163 L166 F189 L196 | L147-I151 VanDerWaalsContact O-CD1 3.28Å; L147-I151 WeakPolarHBondContact O-CD1 3.31Å; L147-I151 WeakPolarHBondContact O-CG1 3.38Å; L147-I151 PolarHBondContact O-N 2.92Å; I148-I151 PolarHBondContact O-N 3.32Å; D149-I151 VanDerWaalsContact C-N 3.28Å; D149-I151 PolarHBondContact O-N 2.94Å; I151-K159 WeakPolarHBondContact O-CE 3.11Å; I151-C162 HydrophobicContact CD1-CB 4.37Å; I151-C162 HydrophobicContact CG1-CB 4.03Å; I151-L163 HydrophobicContact CD1-CD2 3.83Å; I151-L163 HydrophobicContact CD1-CG 4.09Å; I151-L163 HydrophobicContact CG1-CD2 4.07Å; I151-L163 HydrophobicContact CG1-CG 4.02Å; I151-L163 HydrophobicContact CG2-CD2 3.83Å; I151-L163 HydrophobicContact CG2-CG 4.39Å; I151-L166 HydrophobicContact CD1-CB 4.36Å; I151-L166 HydrophobicContact CD1-CD2 3.58Å; I151-F189 HydrophobicContact CB-CE2 4.27Å; I151-F189 HydrophobicContact CD1-CE2 4.32Å; I151-F189 HydrophobicContact CG2-CE2 3.89Å; I151-L196 HydrophobicContact CG2-CD1 4.19Å |
| 152 | Q | 89.3 | Confident | 85.7 | Confident | 68 Ų | 68 | 51 Ų | 51 | 32% | 0.318 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -83.1 | -11.5 | 176.9 | -71.1 | -178.9 | 59.4 | 0 | 0 | 113.9 | I148 D149 N185 F189 | I148-Q152 WeakPolarHBondContact O-CG 3.27Å; I148-Q152 PolarHBondContact O-N 3.34Å; I148-Q152 VanDerWaalsContact O-N 3.07Å; D149-Q152 CarbonylContact O-C 3.58Å; D149-Q152 PolarHBondContact O-N 2.85Å; D149-Q152 VanDerWaalsContact O-N 3.11Å; Q152-N185 PolarHBondContact NE2-ND2 3.02Å; Q152-F189 HydrophobicContact CG-CD2 4.4Å |
| 153 | S | 86.2 | Confident | 86.1 | Confident | 41 Ų | 41 | 45.9 Ų | 45.9 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -71 | 170.5 | 179.7 | 96.7 | 0 | 0 | 0 | 0 | 113.4 | D149 H150 E155 K159 | D149-S153 PolarHBondContact O-N 2.88Å; H150-S153 PolarHBondContact O-OG 3.14Å; S153-E155 PolarHBondContact OG-N 3.46Å; S153-K159 WeakPolarHBondContact O-CE 3.4Å; S153-K159 PolarHBondContact O-NZ 3.03Å |
| 154 | S | 70.3 | Confident | 86.3 | Confident | 120 Ų | 120 | 45.8 Ų | 45.8 | 84% | 0.839 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -79.2 | -18.9 | 176.1 | 48 | 0 | 0 | 0 | 0 | 114.7 | K159 | S154-K159 PolarHBondContact O-NZ 2.92Š|
| 155 | E | 67.6 | Low | 86.5 | Confident | 116 Ų | 116 | 45.8 Ų | 45.8 | 54% | 0.542 | 24% | 0.244 | S | C | . | . | trans | -77.1 | 134.9 | -173.2 | -63.5 | 176.2 | 164.4 | 0 | 0 | 111.6 | S153 K159 | S153-E155 PolarHBondContact OG-N 3.46Å; E155-K159 WeakPolarHBondContact O-CG 3.43Å; E155-K159 PolarHBondContact O-NZ 3.4Å | ||
| 156 | D | 66.4 | Low | 86.7 | Confident | 97 Ų | 97 | 43.1 Ų | 43.1 | 52% | 0.519 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -98.5 | -38.7 | -165.5 | -147 | 38.8 | 0 | 0 | 0 | 114.1 | L158 K159 H199 | D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3.09Å; D156-K159 WeakPolarHBondContact O-CB 3.47Å; D156-K159 PolarHBondContact O-N 3.28Å; D156-K159 VanDerWaalsContact O-N 3.14Å; D156-K159 IonicContact OD1-NZ 3.95Å; D156-H199 IonicContact OD2-NE2 2.82Å |
| 157 | E | 71.8 | Confident | 87 | Confident | 167 Ų | 167 | 41.5 Ų | 41.5 | 78% | 0.78 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -33.6 | -172.4 | -168.2 | 164.5 | -164.1 | 0 | 0 | 113.3 | ||
| 158 | L | 80.9 | Confident | 87.2 | Confident | 22 Ų | 22 | 41.8 Ų | 41.8 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -13.7 | 178.4 | -62.5 | -178.9 | 0 | 0 | 0 | 114 | F117 L118 D156 P161 C162 | F117-L158 HydrophobicContact CD1-CD1 3.94Å; F117-L158 HydrophobicContact CD1-CD2 3.88Å; F117-L158 HydrophobicContact CD1-CG 4.45Å; F117-L158 HydrophobicContact CE1-CB 4.25Å; F117-L158 HydrophobicContact CE1-CD1 3.89Å; F117-L158 HydrophobicContact CE1-CD2 3.93Å; F117-L158 HydrophobicContact CE1-CG 4.24Å; L118-L158 HydrophobicContact CD1-CD2 4.4Å; D156-L158 VanDerWaalsContact C-N 3.32Å; D156-L158 PolarHBondContact O-N 3.09Å; L158-P161 WeakPolarHBondContact O-CD 3.37Å; L158-P161 WeakPolarHBondContact O-CG 3.45Å; L158-C162 PolarHBondContact O-N 2.92Å; L158-C162 PolarHBondContact O-SG 3.01Å |
| 159 | K | 89.3 | Confident | 87.1 | Confident | 19 Ų | 19 | 41.9 Ų | 41.9 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.1 | -45 | -179 | -76 | -175.3 | 177.3 | 87.6 | 0 | 112.7 | I151 S153 S154 E155 D156 C162 L163 | I151-K159 WeakPolarHBondContact O-CE 3.11Å; S153-K159 WeakPolarHBondContact O-CE 3.4Å; S153-K159 PolarHBondContact O-NZ 3.03Å; S154-K159 PolarHBondContact O-NZ 2.92Å; E155-K159 WeakPolarHBondContact O-CG 3.43Å; E155-K159 PolarHBondContact O-NZ 3.4Å; D156-K159 WeakPolarHBondContact O-CB 3.47Å; D156-K159 PolarHBondContact O-N 3.28Å; D156-K159 VanDerWaalsContact O-N 3.14Å; D156-K159 IonicContact OD1-NZ 3.95Å; K159-C162 PolarHBondContact O-N 3.41Å; K159-L163 HydrophobicContact CB-CD1 4.44Å; K159-L163 WeakPolarHBondContact O-CB 3.37Å; K159-L163 VanDerWaalsContact O-CG 3.31Å; K159-L163 WeakPolarHBondContact O-CG 3.18Å; K159-L163 PolarHBondContact O-N 3.32Å |
| 160 | M | 91.2 | Very high | 87.3 | Confident | 68 Ų | 68 | 37.5 Ų | 37.5 | 34% | 0.335 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.8 | -51.4 | -175.4 | -168.8 | -168.3 | -56.5 | 0 | 0 | 113.2 | G164 T203 V204 F207 | M160-G164 PolarHBondContact O-N 3.48Å; M160-T203 HydrophobicContact CG-CG2 4.01Å; M160-T203 HydrophobicContact SD-CG2 3.68Å; M160-V204 HydrophobicContact CB-CG2 3.98Å; M160-V204 HydrophobicContact CE-CG2 4.14Å; M160-V204 HydrophobicContact CG-CG2 3.97Å; M160-F207 HydrophobicContact CG-CD2 4.41Å; M160-F207 HydrophobicContact CG-CE2 4.06Å; M160-F207 VanDerWaalsContact O-CD2 3.31Å; M160-F207 WeakPolarHBondContact O-CD2 3.49Å; M160-F207 WeakPolarHBondContact O-CE2 3.37Å |
| 161 | P | 90.9 | Very high | 87.5 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 8% | 0.078 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 176.7 | 26.9 | -35.7 | 0 | 0 | 0 | 112.6 | L118 I121 L158 G164 L165 | L118-P161 HydrophobicContact CD1-CB 4.36Å; L118-P161 HydrophobicContact CD1-CG 3.81Å; I121-P161 HydrophobicContact CB-CB 4.43Å; I121-P161 HydrophobicContact CG2-CB 3.78Å; I121-P161 WeakPolarHBondContact CG2-O 3.4Å; L158-P161 WeakPolarHBondContact O-CD 3.37Å; L158-P161 WeakPolarHBondContact O-CG 3.45Å; P161-G164 PolarHBondContact O-N 2.93Å; P161-L165 PolarHBondContact O-N 3Å |
| 162 | C | 92.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -45.2 | 177.4 | -65.8 | 0 | 0 | 0 | 0 | 112.5 | L147 I151 L158 K159 G164 L165 L166 | L147-C162 HydrophobicContact CD2-CB 3.65Å; I151-C162 HydrophobicContact CD1-CB 4.37Å; I151-C162 HydrophobicContact CG1-CB 4.03Å; L158-C162 PolarHBondContact O-N 2.92Å; L158-C162 PolarHBondContact O-SG 3.01Å; K159-C162 PolarHBondContact O-N 3.41Å; C162-G164 VanDerWaalsContact C-N 3.3Å; C162-G164 PolarHBondContact O-N 3.25Å; C162-L165 PolarHBondContact O-N 3.47Å; C162-L166 WeakPolarHBondContact O-CB 3.43Å; C162-L166 PolarHBondContact O-N 3.13Å |
| 163 | L | 95.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 172.1 | -75.8 | 164.7 | 0 | 0 | 0 | 111.3 | I151 K159 L166 A167 L193 L196 V204 F207 I211 | I151-L163 HydrophobicContact CD1-CD2 3.83Å; I151-L163 HydrophobicContact CD1-CG 4.09Å; I151-L163 HydrophobicContact CG1-CD2 4.07Å; I151-L163 HydrophobicContact CG1-CG 4.02Å; I151-L163 HydrophobicContact CG2-CD2 3.83Å; I151-L163 HydrophobicContact CG2-CG 4.39Å; K159-L163 HydrophobicContact CB-CD1 4.44Å; K159-L163 WeakPolarHBondContact O-CB 3.37Å; K159-L163 VanDerWaalsContact O-CG 3.31Å; K159-L163 WeakPolarHBondContact O-CG 3.18Å; K159-L163 PolarHBondContact O-N 3.32Å; L163-L166 PolarHBondContact O-N 3.37Å; L163-A167 VanDerWaalsContact O-CB 3.3Å; L163-A167 WeakPolarHBondContact O-CB 3.39Å; L163-A167 PolarHBondContact O-N 3.43Å; L163-L193 HydrophobicContact CD2-CD2 3.76Å; L163-L196 HydrophobicContact CD1-CD1 4.17Å; L163-L196 HydrophobicContact CD2-CD1 4.23Å; L163-V204 HydrophobicContact CD1-CB 4.45Å; L163-V204 HydrophobicContact CD1-CG1 3.77Å; L163-F207 HydrophobicContact CB-CB 3.69Å; L163-F207 HydrophobicContact CB-CD2 4.02Å; L163-F207 HydrophobicContact CB-CG 4.34Å; L163-I211 HydrophobicContact CD2-CD1 3.83Å |
| 164 | G | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q125 M160 P161 C162 N168 F207 | Q125-G164 VanDerWaalsContact NE2-CA 3.29Å; M160-G164 PolarHBondContact O-N 3.48Å; P161-G164 PolarHBondContact O-N 2.93Å; C162-G164 VanDerWaalsContact C-N 3.3Å; C162-G164 PolarHBondContact O-N 3.25Å; G164-N168 PolarHBondContact O-N 3.44Å; G164-F207 VanDerWaalsContact N-CD2 3.31Å |
| 165 | L | 94.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67 | -48.3 | 172.9 | 177.1 | 55 | 0 | 0 | 0 | 111.4 | I121 L124 Q125 T128 L143 L147 P161 C162 A167 N168 L169 | I121-L165 HydrophobicContact CD1-CD2 3.78Å; I121-L165 HydrophobicContact CG2-CB 4.04Å; I121-L165 HydrophobicContact CG2-CD2 4.02Å; L124-L165 HydrophobicContact CB-CD1 3.81Å; L124-L165 HydrophobicContact CB-CD2 3.71Å; L124-L165 HydrophobicContact CB-CG 4.42Å; L124-L165 HydrophobicContact CD2-CD2 4.04Å; L124-L165 HydrophobicContact CG-CD2 4.41Å; Q125-L165 HydrophobicContact CB-CB 4.49Å; T128-L165 HydrophobicContact CG2-CD1 3.91Å; T128-L165 VanDerWaalsContact OG1-CD1 3.31Å; T128-L165 WeakPolarHBondContact OG1-CD1 3.1Å; L143-L165 HydrophobicContact CD1-CD2 4.44Å; L143-L165 HydrophobicContact CD2-CD2 4.39Å; L147-L165 HydrophobicContact CD1-CD2 3.93Å; L147-L165 HydrophobicContact CD1-CG 3.96Å; L147-L165 HydrophobicContact CD2-CD2 4.21Å; P161-L165 PolarHBondContact O-N 3Å; C162-L165 PolarHBondContact O-N 3.47Å; L165-A167 VanDerWaalsContact C-N 3.26Å; L165-A167 PolarHBondContact O-N 3.4Å; L165-N168 WeakPolarHBondContact O-CB 3.38Å; L165-N168 PolarHBondContact O-N 3.44Å; L165-L169 HydrophobicContact CD1-CD2 4.2Å; L165-L169 HydrophobicContact CD1-CG 4.28Å; L165-L169 HydrophobicContact CG-CG 4.41Å; L165-L169 WeakPolarHBondContact O-CG 3.44Å; L165-L169 PolarHBondContact O-N 3.38Å |
| 166 | L | 95.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -32.1 | -179.2 | -172.1 | 59.4 | 0 | 0 | 0 | 112.3 | L147 I148 I151 C162 L163 L169 C170 I180 F189 I211 | L147-L166 HydrophobicContact CD1-CB 4.35Å; L147-L166 HydrophobicContact CD1-CD1 4.47Å; I148-L166 HydrophobicContact CG1-CD2 3.8Å; I151-L166 HydrophobicContact CD1-CB 4.36Å; I151-L166 HydrophobicContact CD1-CD2 3.58Å; C162-L166 WeakPolarHBondContact O-CB 3.43Å; C162-L166 PolarHBondContact O-N 3.13Å; L163-L166 PolarHBondContact O-N 3.37Å; L166-L169 HydrophobicContact CD1-CB 4.4Å; L166-L169 HydrophobicContact CD1-CD1 4.32Å; L166-L169 PolarHBondContact O-N 2.85Å; L166-C170 WeakPolarHBondContact O-CB 3.45Å; L166-C170 PolarHBondContact O-N 2.96Å; L166-C170 PolarHBondContact O-SG 3.4Å; L166-I180 HydrophobicContact CD1-CD1 3.97Å; L166-F189 HydrophobicContact CD2-CE1 4.33Å; L166-F189 HydrophobicContact CD2-CE2 4.36Å; L166-F189 HydrophobicContact CD2-CZ 3.59Å; L166-I211 HydrophobicContact CB-CD1 4.11Å; L166-I211 HydrophobicContact CD2-CD1 4.22Å; L166-I211 HydrophobicContact CG-CD1 4.16Å |
| 167 | A | 96 | Very high | 90.7 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 2% | 0.017 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L163 L165 R171 F207 I211 Y253 | L163-A167 VanDerWaalsContact O-CB 3.3Å; L163-A167 WeakPolarHBondContact O-CB 3.39Å; L163-A167 PolarHBondContact O-N 3.43Å; L165-A167 VanDerWaalsContact C-N 3.26Å; L165-A167 PolarHBondContact O-N 3.4Å; A167-R171 VanDerWaalsContact O-CB 3.26Å; A167-R171 WeakPolarHBondContact O-CB 3.41Å; A167-R171 PolarHBondContact O-N 3.35Å; A167-R171 VanDerWaalsContact O-N 3.15Å; A167-F207 HydrophobicContact CB-CB 4.49Å; A167-I211 HydrophobicContact CB-CG1 3.97Å; A167-Y253 HydrophobicContact CB-CE1 4.23Å |
| 168 | N | 94.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 27 Ų | 27 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.7 | -45.7 | 172.1 | -69.1 | -20.5 | 0 | 0 | 0 | 111.6 | Q125 T128 Y129 G164 L165 C170 R171 Y253 | Q125-N168 PolarHBondContact O-ND2 3.38Å; T128-N168 WeakPolarHBondContact OG1-CB 3.24Å; T128-N168 PolarHBondContact OG1-ND2 3.17Å; Y129-N168 PolarHBondContact N-ND2 3.28Å; G164-N168 PolarHBondContact O-N 3.44Å; L165-N168 WeakPolarHBondContact O-CB 3.38Å; L165-N168 PolarHBondContact O-N 3.44Å; N168-C170 VanDerWaalsContact C-N 3.32Å; N168-C170 PolarHBondContact O-N 3.04Å; N168-R171 PolarHBondContact O-N 3.19Å; N168-Y253 PolarHBondContact ND2-OH 2.87Å; N168-Y253 WeakPolarHBondContact OD1-CE1 3.42Å; N168-Y253 PolarHBondContact OD1-OH 3.45Å |
| 169 | L | 92.1 | Very high | 92 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.9 | -43.1 | -179.5 | -60.1 | -173.1 | 0 | 0 | 0 | 111.5 | T128 I133 L143 I144 L147 L165 L166 N173 V176 | T128-L169 HydrophobicContact CG2-CD2 4.11Å; I133-L169 HydrophobicContact CD1-CD2 3.76Å; L143-L169 HydrophobicContact CD2-CD1 4.43Å; I144-L169 HydrophobicContact CG1-CD1 4.04Å; L147-L169 HydrophobicContact CD1-CD1 3.72Å; L165-L169 HydrophobicContact CD1-CD2 4.2Å; L165-L169 HydrophobicContact CD1-CG 4.28Å; L165-L169 HydrophobicContact CG-CG 4.41Å; L165-L169 WeakPolarHBondContact O-CG 3.44Å; L165-L169 PolarHBondContact O-N 3.38Å; L166-L169 HydrophobicContact CD1-CB 4.4Å; L166-L169 HydrophobicContact CD1-CD1 4.32Å; L166-L169 PolarHBondContact O-N 2.85Å; L169-N173 WeakPolarHBondContact O-CB 3.48Å; L169-N173 PolarHBondContact O-ND2 3.36Å; L169-V176 HydrophobicContact CB-CG1 4.16Å; L169-V176 WeakPolarHBondContact O-CG1 3.29Å |
| 170 | C | 93 | Very high | 92.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.8 | -29 | 178.3 | -65.2 | 0 | 0 | 0 | 0 | 113.9 | L166 N168 H172 Q177 I180 S214 | L166-C170 WeakPolarHBondContact O-CB 3.45Å; L166-C170 PolarHBondContact O-N 2.96Å; L166-C170 PolarHBondContact O-SG 3.4Å; N168-C170 VanDerWaalsContact C-N 3.32Å; N168-C170 PolarHBondContact O-N 3.04Å; C170-H172 PolarHBondContact O-N 3.42Å; C170-Q177 VanDerWaalsContact O-CG 3.3Å; C170-Q177 WeakPolarHBondContact O-CG 3.35Å; C170-Q177 PolarHBondContact O-NE2 2.92Å; C170-I180 WeakPolarHBondContact SG-CD1 3.32Å; C170-S214 VanDerWaalsContact CB-OG 3.25Å; C170-S214 WeakPolarHBondContact CB-OG 3.45Å |
| 171 | R | 93.3 | Very high | 92.2 | Very high | 38 Ų | 38 | 26.7 Ų | 26.7 | 14% | 0.143 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 121.9 | -172 | -174.2 | 167.5 | -175.8 | -95.1 | -4.9 | 111.7 | N130 A167 N168 N173 D256 D260 | N130-R171 PolarHBondContact OD1-NH1 3.44Å; A167-R171 VanDerWaalsContact O-CB 3.26Å; A167-R171 WeakPolarHBondContact O-CB 3.41Å; A167-R171 PolarHBondContact O-N 3.35Å; A167-R171 VanDerWaalsContact O-N 3.15Å; N168-R171 PolarHBondContact O-N 3.19Å; R171-N173 PolarHBondContact O-N 2.92Å; R171-N173 VanDerWaalsContact O-N 3.12Å; R171-N173 PolarHBondContact O-ND2 2.91Å; R171-D256 PolarHBondContact NH2-O 2.63Å; R171-D256 IonicContact NH2-OD1 2.87Å; R171-D260 IonicContact CZ-OD2 2.72Å; R171-D260 IonicContact NE-OD2 3.11Å; R171-D260 PolarHBondContact NE-OD2 3.4Å; R171-D260 IonicContact NH2-OD1 2.68Å; R171-D260 PolarHBondContact NH2-OD1 3.08Å; R171-D260 IonicContact NH2-OD2 2.6Å; R171-D260 PolarHBondContact NH2-OD2 2.94Å |
| 172 | H | 90.4 | Very high | 92.2 | Very high | 93 Ų | 93 | 31.6 Ų | 31.6 | 43% | 0.431 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 9.4 | -179.5 | -57.1 | -43 | 0 | 0 | 0 | 117.1 | C170 D260 | C170-H172 PolarHBondContact O-N 3.42Å; H172-D260 VanDerWaalsContact CE1-CG 3.44Å; H172-D260 IonicContact CE1-OD1 3.74Å; H172-D260 PolarHBondContact CE1-OD1 2.91Å; H172-D260 IonicContact CE1-OD2 2.79Å; H172-D260 PolarHBondContact CE1-OD2 2.91Å; H172-D260 IonicContact NE2-OD1 2.86Å; H172-D260 PolarHBondContact NE2-OD1 3.45Å; H172-D260 IonicContact NE2-OD2 2.86Å; H172-D260 PolarHBondContact NE2-OD2 3.32Å |
| 173 | N | 89.2 | Confident | 92 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.053 | 18% | 0.176 | C | C | . | . | trans | -109.9 | 87.8 | 176.8 | -55.2 | -63 | 0 | 0 | 0 | 111.6 | I133 L169 R171 S175 V176 Q177 | I133-N173 WeakPolarHBondContact CD1-ND2 3.33Å; I133-N173 PolarHBondContact N-OD1 3.07Å; L169-N173 WeakPolarHBondContact O-CB 3.48Å; L169-N173 PolarHBondContact O-ND2 3.36Å; R171-N173 PolarHBondContact O-N 2.92Å; R171-N173 VanDerWaalsContact O-N 3.12Å; R171-N173 PolarHBondContact O-ND2 2.91Å; N173-S175 VanDerWaalsContact C-N 3.27Å; N173-S175 PolarHBondContact O-N 3.46Å; N173-V176 HydrophobicContact CB-CB 4.09Å; N173-V176 HydrophobicContact CB-CG2 3.97Å; N173-V176 PolarHBondContact O-N 3.21Å; N173-V176 VanDerWaalsContact O-N 3.12Å; N173-Q177 WeakPolarHBondContact O-CG 3.41Å; N173-Q177 PolarHBondContact O-N 3.48Å | ||
| 174 | L | 88.9 | Confident | 91.7 | Very high | 135 Ų | 135 | 39.4 Ų | 39.4 | 71% | 0.707 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -50.4 | -41.1 | -177.9 | -76.6 | 156.8 | 0 | 0 | 0 | 113.9 | Q177 T178 | L174-Q177 WeakPolarHBondContact O-CB 3.44Å; L174-Q177 PolarHBondContact O-N 3.14Å; L174-T178 PolarHBondContact O-N 3.01Å; L174-T178 PolarHBondContact O-OG1 3.18Å; L174-T178 VanDerWaalsContact O-OG1 3.12Å |
| 175 | S | 88.7 | Confident | 91.3 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.3 | -42.7 | -179.6 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | Y135 N173 T178 H179 | Y135-S175 WeakPolarHBondContact CB-OG 3.35Å; N173-S175 VanDerWaalsContact C-N 3.27Å; N173-S175 PolarHBondContact O-N 3.46Å; S175-T178 WeakPolarHBondContact CA-OG1 3.32Å; S175-T178 PolarHBondContact O-N 2.97Å; S175-T178 PolarHBondContact O-OG1 3.47Å; S175-H179 WeakPolarHBondContact O-CB 3.22Å; S175-H179 PolarHBondContact O-N 3.37Å |
| 176 | V | 90.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64 | -44.1 | 175.3 | 175.8 | 0 | 0 | 0 | 0 | 110.3 | Y135 I144 L169 N173 T178 H179 I180 | Y135-V176 HydrophobicContact CD2-CG2 3.9Å; I144-V176 HydrophobicContact CD1-CG1 3.91Å; I144-V176 HydrophobicContact CD1-CG2 4.34Å; L169-V176 HydrophobicContact CB-CG1 4.16Å; L169-V176 WeakPolarHBondContact O-CG1 3.29Å; N173-V176 HydrophobicContact CB-CB 4.09Å; N173-V176 HydrophobicContact CB-CG2 3.97Å; N173-V176 PolarHBondContact O-N 3.21Å; N173-V176 VanDerWaalsContact O-N 3.12Å; V176-T178 PolarHBondContact O-N 3.26Å; V176-H179 PolarHBondContact O-N 3.48Å; V176-I180 HydrophobicContact CG1-CD1 3.74Å; V176-I180 HydrophobicContact CG1-CG1 4.46Å; V176-I180 WeakPolarHBondContact O-CG1 3.29Å; V176-I180 PolarHBondContact O-N 3.13Å |
| 177 | Q | 91.9 | Very high | 90.9 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 15% | 0.145 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.9 | -46.9 | 175.1 | -64.4 | 170.2 | 2.4 | 0 | 0 | 111.2 | C170 N173 L174 K181 S214 L215 | C170-Q177 VanDerWaalsContact O-CG 3.3Å; C170-Q177 WeakPolarHBondContact O-CG 3.35Å; C170-Q177 PolarHBondContact O-NE2 2.92Å; N173-Q177 WeakPolarHBondContact O-CG 3.41Å; N173-Q177 PolarHBondContact O-N 3.48Å; L174-Q177 WeakPolarHBondContact O-CB 3.44Å; L174-Q177 PolarHBondContact O-N 3.14Å; Q177-K181 WeakPolarHBondContact O-CB 3.37Å; Q177-K181 VanDerWaalsContact O-CD 3.3Å; Q177-K181 WeakPolarHBondContact O-CD 3.28Å; Q177-K181 WeakPolarHBondContact O-CG 3.33Å; Q177-K181 PolarHBondContact O-N 2.74Å; Q177-K181 VanDerWaalsContact O-N 3.16Å; Q177-S214 PolarHBondContact NE2-O 3.15Å; Q177-L215 HydrophobicContact CB-CD2 4.05Å; Q177-L215 HydrophobicContact CG-CD2 4.15Å |
| 178 | T | 89.9 | Confident | 90.7 | Very high | 84 Ų | 84 | 53.2 Ų | 53.2 | 52% | 0.515 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 177.9 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | L174 S175 V176 K181 T182 | L174-T178 PolarHBondContact O-N 3.01Å; L174-T178 PolarHBondContact O-OG1 3.18Å; L174-T178 VanDerWaalsContact O-OG1 3.12Å; S175-T178 WeakPolarHBondContact CA-OG1 3.32Å; S175-T178 PolarHBondContact O-N 2.97Å; S175-T178 PolarHBondContact O-OG1 3.47Å; V176-T178 PolarHBondContact O-N 3.26Å; T178-K181 PolarHBondContact O-N 3.44Å; T178-T182 WeakPolarHBondContact O-CG2 3.42Å; T178-T182 PolarHBondContact O-N 2.99Å |
| 179 | H | 90.3 | Very high | 90.7 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 17% | 0.167 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.6 | -54.3 | 176.1 | 176.9 | 100.9 | 0 | 0 | 0 | 110.7 | Y135 D141 S175 V176 K181 T182 L183 | Y135-H179 HydrophobicContact CE2-CB 4.31Å; Y135-H179 AromaticContact CZ-ND1 3.98Å; Y135-H179 PolarHBondContact OH-ND1 2.84Å; D141-H179 IonicContact OD1-CE1 3.62Å; D141-H179 PolarHBondContact OD1-CE1 3.13Å; D141-H179 IonicContact OD1-CG 3.95Å; D141-H179 IonicContact OD1-ND1 3.81Å; D141-H179 PolarHBondContact OD1-ND1 3Å; D141-H179 VanDerWaalsContact OD1-ND1 3.11Å; D141-H179 IonicContact OD1-NE2 3.97Å; S175-H179 WeakPolarHBondContact O-CB 3.22Å; S175-H179 PolarHBondContact O-N 3.37Å; V176-H179 PolarHBondContact O-N 3.48Å; H179-K181 PolarHBondContact O-N 3.05Å; H179-T182 PolarHBondContact O-N 3.28Å; H179-T182 PolarHBondContact O-OG1 3.09Å; H179-L183 PolarHBondContact O-N 3.32Å |
| 180 | I | 92.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.4 | -36.1 | -177.8 | -65.8 | 168.6 | 0 | 0 | 0 | 111.4 | I144 I148 L166 C170 V176 T182 L183 V186 L215 | I144-I180 HydrophobicContact CG2-CD1 4.04Å; I144-I180 HydrophobicContact CG2-CG1 3.63Å; I148-I180 HydrophobicContact CD1-CG1 4.26Å; I148-I180 HydrophobicContact CD1-CG2 4.18Å; L166-I180 HydrophobicContact CD1-CD1 3.97Å; C170-I180 WeakPolarHBondContact SG-CD1 3.32Å; V176-I180 HydrophobicContact CG1-CD1 3.74Å; V176-I180 HydrophobicContact CG1-CG1 4.46Å; V176-I180 WeakPolarHBondContact O-CG1 3.29Å; V176-I180 PolarHBondContact O-N 3.13Å; I180-T182 VanDerWaalsContact C-N 3.29Å; I180-T182 PolarHBondContact O-N 3.47Å; I180-L183 WeakPolarHBondContact O-CB 3.19Å; I180-L183 PolarHBondContact O-N 2.95Å; I180-V186 WeakPolarHBondContact O-CG2 3.34Å; I180-L215 HydrophobicContact CB-CD2 4.3Å; I180-L215 HydrophobicContact CG2-CD1 3.74Å; I180-L215 HydrophobicContact CG2-CD2 4.29Å |
| 181 | K | 91.4 | Very high | 90.8 | Very high | 67 Ų | 67 | 62.5 Ų | 62.5 | 29% | 0.291 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.1 | -24.3 | 175.7 | -70.8 | 167.1 | -176.7 | -141.7 | 0 | 114.2 | Q177 T178 H179 L215 E219 | Q177-K181 WeakPolarHBondContact O-CB 3.37Å; Q177-K181 VanDerWaalsContact O-CD 3.3Å; Q177-K181 WeakPolarHBondContact O-CD 3.28Å; Q177-K181 WeakPolarHBondContact O-CG 3.33Å; Q177-K181 PolarHBondContact O-N 2.74Å; Q177-K181 VanDerWaalsContact O-N 3.16Å; T178-K181 PolarHBondContact O-N 3.44Å; H179-K181 PolarHBondContact O-N 3.05Å; K181-L215 WeakPolarHBondContact CE-O 3.46Å; K181-L215 PolarHBondContact NZ-O 3.01Å; K181-E219 VanDerWaalsContact CD-OE1 3.24Å; K181-E219 WeakPolarHBondContact CD-OE1 3.3Å; K181-E219 WeakPolarHBondContact CE-OE1 3.25Å; K181-E219 IonicContact NZ-OE1 2.92Å; K181-E219 PolarHBondContact NZ-OE1 3.43Å |
| 182 | T | 91.1 | Very high | 90.9 | Very high | 115 Ų | 115 | 62.4 Ų | 62.4 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -85.5 | -9.3 | 175.4 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | T178 H179 I180 | T178-T182 WeakPolarHBondContact O-CG2 3.42Å; T178-T182 PolarHBondContact O-N 2.99Å; H179-T182 PolarHBondContact O-N 3.28Å; H179-T182 PolarHBondContact O-OG1 3.09Å; I180-T182 VanDerWaalsContact C-N 3.29Å; I180-T182 PolarHBondContact O-N 3.47Å |
| 183 | L | 89.9 | Confident | 91.1 | Very high | 33 Ų | 33 | 58 Ų | 58 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -67.5 | 132.7 | 178.2 | -61.8 | 176.6 | 0 | 0 | 0 | 111.4 | I148 H179 I180 N185 V186 | I148-L183 HydrophobicContact CD1-CD1 3.5Å; I148-L183 VanDerWaalsContact CD1-CD1 3.5Å; H179-L183 PolarHBondContact O-N 3.32Å; I180-L183 WeakPolarHBondContact O-CB 3.19Å; I180-L183 PolarHBondContact O-N 2.95Å; L183-N185 PolarHBondContact O-N 3.35Å; L183-N185 VanDerWaalsContact O-N 3.14Å; L183-V186 WeakPolarHBondContact O-CB 3.41Å; L183-V186 WeakPolarHBondContact O-CG1 3.21Å; L183-V186 PolarHBondContact O-N 2.93Å |
| 184 | S | 88.2 | Confident | 91.3 | Very high | 132 Ų | 132 | 60.5 Ų | 60.5 | 92% | 0.923 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.3 | -175.7 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 185 | N | 86.2 | Confident | 91.5 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5.2 | 177.4 | 67.8 | -11.8 | 0 | 0 | 0 | 114.1 | Q152 L183 K187 S188 F189 | Q152-N185 PolarHBondContact NE2-ND2 3.02Å; L183-N185 PolarHBondContact O-N 3.35Å; L183-N185 VanDerWaalsContact O-N 3.14Å; N185-K187 PolarHBondContact O-N 3.05Å; N185-S188 PolarHBondContact O-N 3.36Å; N185-S188 PolarHBondContact O-OG 3.39Å; N185-F189 PolarHBondContact O-N 3.28Å |
| 186 | V | 91.1 | Very high | 91.8 | Very high | 18 Ų | 18 | 57.3 Ų | 57.3 | 11% | 0.109 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.6 | -33.9 | -175.4 | 71.3 | 0 | 0 | 0 | 0 | 113.3 | I180 L183 F189 Y190 | I180-V186 WeakPolarHBondContact O-CG2 3.34Å; L183-V186 WeakPolarHBondContact O-CB 3.41Å; L183-V186 WeakPolarHBondContact O-CG1 3.21Å; L183-V186 PolarHBondContact O-N 2.93Å; V186-F189 PolarHBondContact O-N 2.64Å; V186-Y190 HydrophobicContact CG2-CD1 4.2Å; V186-Y190 HydrophobicContact CG2-CD2 4.36Å; V186-Y190 HydrophobicContact CG2-CE1 3.68Å; V186-Y190 HydrophobicContact CG2-CE2 3.89Å; V186-Y190 VanDerWaalsContact O-CG 3.28Å; V186-Y190 PolarHBondContact O-N 3.33Å |
| 187 | K | 90.5 | Very high | 92 | Very high | 176 Ų | 176 | 58.6 Ų | 58.6 | 77% | 0.765 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -71.7 | -29.9 | 178 | -67.7 | -175.9 | -179.7 | 178.6 | 0 | 113.9 | N185 R191 | N185-K187 PolarHBondContact O-N 3.05Å; K187-R191 PolarHBondContact O-N 3.01Å |
| 188 | S | 91.2 | Very high | 92.1 | Very high | 54 Ų | 54 | 61.5 Ų | 61.5 | 38% | 0.378 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -77.9 | -38.8 | 170.3 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | N185 Y190 R191 T192 | N185-S188 PolarHBondContact O-N 3.36Å; N185-S188 PolarHBondContact O-OG 3.39Å; S188-Y190 PolarHBondContact O-N 3.31Å; S188-R191 WeakPolarHBondContact O-CA 3.39Å; S188-R191 WeakPolarHBondContact O-CB 3.39Å; S188-R191 PolarHBondContact O-N 3.29Å; S188-T192 PolarHBondContact O-N 3.39Å; S188-T192 PolarHBondContact O-OG1 2.91Å |
| 189 | F | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.5 | -48.1 | 174.5 | -177.7 | -122.8 | 0 | 0 | 0 | 112.4 | I148 I151 Q152 L166 N185 V186 R191 T192 L193 I211 L215 | I148-F189 HydrophobicContact CG1-CE1 4.32Å; I148-F189 HydrophobicContact CG1-CE2 4.16Å; I148-F189 HydrophobicContact CG1-CZ 4.06Å; I148-F189 HydrophobicContact CG2-CD2 3.91Å; I148-F189 HydrophobicContact CG2-CE2 4.27Å; I148-F189 HydrophobicContact CG2-CG 4.21Å; I151-F189 HydrophobicContact CB-CE2 4.27Å; I151-F189 HydrophobicContact CD1-CE2 4.32Å; I151-F189 HydrophobicContact CG2-CE2 3.89Å; Q152-F189 HydrophobicContact CG-CD2 4.4Å; L166-F189 HydrophobicContact CD2-CE1 4.33Å; L166-F189 HydrophobicContact CD2-CE2 4.36Å; L166-F189 HydrophobicContact CD2-CZ 3.59Å; N185-F189 PolarHBondContact O-N 3.28Å; V186-F189 PolarHBondContact O-N 2.64Å; F189-R191 VanDerWaalsContact C-N 3.26Å; F189-R191 PolarHBondContact O-N 3.01Å; F189-T192 WeakPolarHBondContact O-CB 3.44Å; F189-T192 PolarHBondContact O-N 3.04Å; F189-T192 VanDerWaalsContact O-N 3.1Å; F189-L193 HydrophobicContact CD1-CD1 4.08Å; F189-L193 HydrophobicContact CD2-CG 4.46Å; F189-L193 HydrophobicContact CE1-CD1 3.65Å; F189-L193 HydrophobicContact CE1-CG 4.33Å; F189-L193 HydrophobicContact CE2-CD1 4.33Å; F189-L193 HydrophobicContact CE2-CD2 4.08Å; F189-L193 HydrophobicContact CE2-CG 4.13Å; F189-L193 HydrophobicContact CZ-CD1 3.77Å; F189-L193 HydrophobicContact CZ-CD2 4Å; F189-L193 HydrophobicContact CZ-CG 4.04Å; F189-L193 WeakPolarHBondContact O-CG 3.12Å; F189-L193 PolarHBondContact O-N 3.48Å; F189-I211 HydrophobicContact CE1-CG2 4.05Å; F189-I211 HydrophobicContact CZ-CG2 4.24Å; F189-L215 HydrophobicContact CE1-CD1 4.42Å |
| 190 | Y | 94.3 | Very high | 92.3 | Very high | 12 Ų | 12 | 63.4 Ų | 63.4 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.1 | -37 | 172.9 | -69.3 | -16.3 | 0 | 0 | 0 | 113 | V186 S188 I194 L212 L215 T216 E219 V221 | V186-Y190 HydrophobicContact CG2-CD1 4.2Å; V186-Y190 HydrophobicContact CG2-CD2 4.36Å; V186-Y190 HydrophobicContact CG2-CE1 3.68Å; V186-Y190 HydrophobicContact CG2-CE2 3.89Å; V186-Y190 VanDerWaalsContact O-CG 3.28Å; V186-Y190 PolarHBondContact O-N 3.33Å; S188-Y190 PolarHBondContact O-N 3.31Å; Y190-I194 WeakPolarHBondContact O-CB 3.4Å; Y190-I194 WeakPolarHBondContact O-CD1 3.23Å; Y190-I194 VanDerWaalsContact O-CG1 3.25Å; Y190-I194 WeakPolarHBondContact O-CG1 3.1Å; Y190-I194 PolarHBondContact O-N 2.88Å; Y190-L212 HydrophobicContact CD1-CD2 4.46Å; Y190-L215 HydrophobicContact CE1-CB 4.07Å; Y190-L215 HydrophobicContact CE1-CD1 3.88Å; Y190-T216 HydrophobicContact CD1-CG2 4.25Å; Y190-T216 HydrophobicContact CD2-CG2 4.26Å; Y190-T216 HydrophobicContact CE1-CG2 3.79Å; Y190-T216 HydrophobicContact CE2-CG2 3.79Å; Y190-T216 HydrophobicContact CG-CG2 4.47Å; Y190-E219 PolarHBondContact OH-OE2 3.47Å; Y190-V221 HydrophobicContact CD2-CB 4.43Å; Y190-V221 HydrophobicContact CD2-CG1 3.88Å; Y190-V221 HydrophobicContact CD2-CG2 4.41Å; Y190-V221 HydrophobicContact CE2-CG1 4.43Å; Y190-V221 HydrophobicContact CE2-CG2 4.44Å |
| 191 | R | 92.9 | Very high | 92.3 | Very high | 192 Ų | 192 | 64.9 Ų | 64.9 | 73% | 0.725 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66 | -43.1 | 175.3 | -175.8 | 179.6 | 177.7 | 176 | -1.2 | 111.4 | K187 S188 F189 I194 T195 | K187-R191 PolarHBondContact O-N 3.01Å; S188-R191 WeakPolarHBondContact O-CA 3.39Å; S188-R191 WeakPolarHBondContact O-CB 3.39Å; S188-R191 PolarHBondContact O-N 3.29Å; F189-R191 VanDerWaalsContact C-N 3.26Å; F189-R191 PolarHBondContact O-N 3.01Å; R191-I194 PolarHBondContact O-N 3.37Å; R191-T195 PolarHBondContact O-N 3Å; R191-T195 PolarHBondContact O-OG1 3Å |
| 192 | T | 94.6 | Very high | 92.4 | Very high | 36 Ų | 36 | 63.6 Ų | 63.6 | 22% | 0.221 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 175.6 | -56.3 | 0 | 0 | 0 | 0 | 111.2 | S188 F189 I194 T195 L196 | S188-T192 PolarHBondContact O-N 3.39Å; S188-T192 PolarHBondContact O-OG1 2.91Å; F189-T192 WeakPolarHBondContact O-CB 3.44Å; F189-T192 PolarHBondContact O-N 3.04Å; F189-T192 VanDerWaalsContact O-N 3.1Å; T192-I194 VanDerWaalsContact C-N 3.34Å; T192-I194 PolarHBondContact O-N 2.87Å; T192-T195 WeakPolarHBondContact CA-OG1 3.46Å; T192-T195 PolarHBondContact O-N 3.26Å; T192-T195 VanDerWaalsContact O-N 3.17Å; T192-T195 PolarHBondContact O-OG1 3.5Å; T192-L196 HydrophobicContact CG2-CD1 4.15Å; T192-L196 WeakPolarHBondContact O-CG 3.37Å; T192-L196 PolarHBondContact O-N 3.46Å |
| 193 | L | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 176.7 | -65.1 | 176.7 | 0 | 0 | 0 | 112.3 | L163 F189 T195 L196 L197 A208 I211 L212 | L163-L193 HydrophobicContact CD2-CD2 3.76Å; F189-L193 HydrophobicContact CD1-CD1 4.08Å; F189-L193 HydrophobicContact CD2-CG 4.46Å; F189-L193 HydrophobicContact CE1-CD1 3.65Å; F189-L193 HydrophobicContact CE1-CG 4.33Å; F189-L193 HydrophobicContact CE2-CD1 4.33Å; F189-L193 HydrophobicContact CE2-CD2 4.08Å; F189-L193 HydrophobicContact CE2-CG 4.13Å; F189-L193 HydrophobicContact CZ-CD1 3.77Å; F189-L193 HydrophobicContact CZ-CD2 4Å; F189-L193 HydrophobicContact CZ-CG 4.04Å; F189-L193 WeakPolarHBondContact O-CG 3.12Å; F189-L193 PolarHBondContact O-N 3.48Å; L193-T195 VanDerWaalsContact C-N 3.34Å; L193-T195 PolarHBondContact O-N 2.89Å; L193-L196 HydrophobicContact CD2-CD1 4.44Å; L193-L196 WeakPolarHBondContact O-CB 3.23Å; L193-L196 PolarHBondContact O-N 3.39Å; L193-L196 VanDerWaalsContact O-N 3.17Å; L193-L197 PolarHBondContact O-N 3.15Å; L193-A208 HydrophobicContact CD2-CB 4.13Å; L193-I211 HydrophobicContact CD1-CB 4.04Å; L193-I211 HydrophobicContact CD1-CG2 3.5Å; L193-I211 HydrophobicContact CD2-CD1 4.21Å; L193-L212 HydrophobicContact CB-CD1 3.79Å; L193-L212 HydrophobicContact CB-CD2 3.92Å; L193-L212 HydrophobicContact CB-CG 3.74Å; L193-L212 HydrophobicContact CD1-CD2 4.08Å; L193-L212 HydrophobicContact CD1-CG 4.01Å |
| 194 | I | 93.7 | Very high | 92.8 | Very high | 63 Ų | 63 | 57.6 Ų | 57.6 | 32% | 0.323 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 176.5 | -70.7 | 165.6 | 0 | 0 | 0 | 111.2 | Y190 R191 T192 L196 L197 L212 | Y190-I194 WeakPolarHBondContact O-CB 3.4Å; Y190-I194 WeakPolarHBondContact O-CD1 3.23Å; Y190-I194 VanDerWaalsContact O-CG1 3.25Å; Y190-I194 WeakPolarHBondContact O-CG1 3.1Å; Y190-I194 PolarHBondContact O-N 2.88Å; R191-I194 PolarHBondContact O-N 3.37Å; T192-I194 VanDerWaalsContact C-N 3.34Å; T192-I194 PolarHBondContact O-N 2.87Å; I194-L196 VanDerWaalsContact C-N 3.33Å; I194-L197 WeakPolarHBondContact O-CB 3.3Å; I194-L197 PolarHBondContact O-N 3.01Å; I194-L212 HydrophobicContact CG1-CD1 4.01Å; I194-L212 HydrophobicContact CG1-CD2 4.17Å |
| 195 | T | 93.8 | Very high | 93.2 | Very high | 93 Ų | 93 | 51.4 Ų | 51.4 | 57% | 0.571 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -68.4 | -30.9 | 173.6 | 45.1 | 0 | 0 | 0 | 0 | 113.2 | R191 T192 L193 L197 A198 | R191-T195 PolarHBondContact O-N 3Å; R191-T195 PolarHBondContact O-OG1 3Å; T192-T195 WeakPolarHBondContact CA-OG1 3.46Å; T192-T195 PolarHBondContact O-N 3.26Å; T192-T195 VanDerWaalsContact O-N 3.17Å; T192-T195 PolarHBondContact O-OG1 3.5Å; L193-T195 VanDerWaalsContact C-N 3.34Å; L193-T195 PolarHBondContact O-N 2.89Å; T195-L197 PolarHBondContact O-N 3.13Å; T195-A198 PolarHBondContact O-N 3.39Å |
| 196 | L | 94.6 | Very high | 93.7 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 9% | 0.089 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.1 | -12.6 | 174.9 | -69.4 | 166.6 | 0 | 0 | 0 | 113.3 | I151 L163 T192 L193 I194 A198 H199 V204 A208 | I151-L196 HydrophobicContact CG2-CD1 4.19Å; L163-L196 HydrophobicContact CD1-CD1 4.17Å; L163-L196 HydrophobicContact CD2-CD1 4.23Å; T192-L196 HydrophobicContact CG2-CD1 4.15Å; T192-L196 WeakPolarHBondContact O-CG 3.37Å; T192-L196 PolarHBondContact O-N 3.46Å; L193-L196 HydrophobicContact CD2-CD1 4.44Å; L193-L196 WeakPolarHBondContact O-CB 3.23Å; L193-L196 PolarHBondContact O-N 3.39Å; L193-L196 VanDerWaalsContact O-N 3.17Å; I194-L196 VanDerWaalsContact C-N 3.33Å; L196-A198 PolarHBondContact O-N 2.85Å; L196-H199 WeakPolarHBondContact O-CB 3.35Å; L196-H199 PolarHBondContact O-N 3.28Å; L196-V204 HydrophobicContact CB-CG1 4.26Å; L196-V204 HydrophobicContact CD2-CG1 3.87Å; L196-A208 HydrophobicContact CB-CB 3.94Å |
| 197 | L | 94.3 | Very high | 93.9 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -17.5 | 171.6 | -59.7 | -178.1 | 0 | 0 | 0 | 113.5 | L193 I194 T195 V205 A208 L209 L212 L225 L237 | L193-L197 PolarHBondContact O-N 3.15Å; I194-L197 WeakPolarHBondContact O-CB 3.3Å; I194-L197 PolarHBondContact O-N 3.01Å; T195-L197 PolarHBondContact O-N 3.13Å; L197-V205 HydrophobicContact CD2-CG1 4.26Å; L197-A208 HydrophobicContact CD2-CB 4.3Å; L197-L209 HydrophobicContact CD1-CD1 4.29Å; L197-L209 HydrophobicContact CD2-CB 3.74Å; L197-L209 HydrophobicContact CD2-CD1 4.02Å; L197-L209 HydrophobicContact CD2-CG 4.39Å; L197-L212 HydrophobicContact CD1-CD1 3.96Å; L197-L212 HydrophobicContact CD2-CD1 4.21Å; L197-L212 HydrophobicContact CG-CD1 4.18Å; L197-L225 HydrophobicContact CD1-CD1 4.45Å; L197-L225 HydrophobicContact CD1-CD2 3.98Å; L197-L237 HydrophobicContact CB-CD2 4.43Å |
| 198 | A | 93.8 | Very high | 94.2 | Very high | 92 Ų | 92 | 40.2 Ų | 40.2 | 76% | 0.76 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 13.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | T195 L196 | T195-A198 PolarHBondContact O-N 3.39Å; L196-A198 PolarHBondContact O-N 2.85Å |
| 199 | H | 93.3 | Very high | 94.5 | Very high | 48 Ų | 48 | 37.7 Ų | 37.7 | 22% | 0.222 | 21% | 0.213 | C | C | . | . | trans | -73.3 | 150.8 | -178.1 | -169.5 | -102.9 | 0 | 0 | 0 | 112.7 | D156 L196 S201 V204 V205 | D156-H199 IonicContact OD2-NE2 2.82Å; L196-H199 WeakPolarHBondContact O-CB 3.35Å; L196-H199 PolarHBondContact O-N 3.28Å; H199-S201 PolarHBondContact ND1-N 3.48Å; H199-S201 VanDerWaalsContact ND1-N 3.17Å; H199-V204 HydrophobicContact CB-CB 4.34Å; H199-V204 HydrophobicContact CB-CG1 3.88Å; H199-V204 WeakPolarHBondContact ND1-CB 3.39Å; H199-V205 HydrophobicContact CB-CG2 4.15Å; H199-V205 WeakPolarHBondContact O-CG2 3.42Å | ||
| 200 | S | 91.3 | Very high | 94.6 | Very high | 113 Ų | 113 | 38.3 Ų | 38.3 | 79% | 0.79 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -68 | -36.7 | -176.8 | 56.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 201 | S | 92.3 | Very high | 94.7 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 22% | 0.217 | 22% | 0.216 | C | C | . | . | trans | -83.7 | 115.1 | 174.3 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | H199 T203 V204 V205 | H199-S201 PolarHBondContact ND1-N 3.48Å; H199-S201 VanDerWaalsContact ND1-N 3.17Å; S201-T203 PolarHBondContact O-N 2.82Å; S201-T203 VanDerWaalsContact O-N 3.15Å; S201-T203 PolarHBondContact OG-N 2.95Å; S201-V204 WeakPolarHBondContact O-CB 3.43Å; S201-V204 PolarHBondContact O-N 2.99Å; S201-V205 PolarHBondContact O-N 3.43Å | ||
| 202 | L | 94.6 | Very high | 94.9 | Very high | 40 Ų | 40 | 28.7 Ų | 28.7 | 21% | 0.209 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -23.1 | 175.8 | -63 | 174.4 | 0 | 0 | 0 | 113 | V205 V206 I241 | L202-V205 PolarHBondContact O-N 2.74Å; L202-V206 PolarHBondContact O-N 2.7Å; L202-I241 HydrophobicContact CB-CG1 4.35Å; L202-I241 HydrophobicContact CD2-CG1 4.05Å |
| 203 | T | 94 | Very high | 94.9 | Very high | 16 Ų | 16 | 27.2 Ų | 27.2 | 10% | 0.098 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 173.4 | -44.8 | 0 | 0 | 0 | 0 | 112.1 | M160 S201 V206 F207 L249 T250 | M160-T203 HydrophobicContact CG-CG2 4.01Å; M160-T203 HydrophobicContact SD-CG2 3.68Å; S201-T203 PolarHBondContact O-N 2.82Å; S201-T203 VanDerWaalsContact O-N 3.15Å; S201-T203 PolarHBondContact OG-N 2.95Å; T203-V206 WeakPolarHBondContact O-CG1 3.25Å; T203-F207 HydrophobicContact CG2-CD2 4.34Å; T203-F207 HydrophobicContact CG2-CE1 4.42Å; T203-F207 HydrophobicContact CG2-CE2 3.62Å; T203-F207 HydrophobicContact CG2-CZ 3.65Å; T203-F207 VanDerWaalsContact O-CD2 3.24Å; T203-F207 WeakPolarHBondContact O-CD2 3.23Å; T203-F207 VanDerWaalsContact O-CG 3.25Å; T203-F207 WeakPolarHBondContact O-CG 3.23Å; T203-F207 PolarHBondContact O-N 3.09Å; T203-L249 HydrophobicContact CG2-CD2 4.27Å; T203-T250 HydrophobicContact CG2-CG2 4.43Å; T203-T250 VanDerWaalsContact OG1-CG2 3.3Å; T203-T250 WeakPolarHBondContact OG1-CG2 3.42Å |
| 204 | V | 94.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.3 | -43.5 | 173.3 | 169 | 0 | 0 | 0 | 0 | 110.4 | M160 L163 L196 H199 S201 F207 A208 | M160-V204 HydrophobicContact CB-CG2 3.98Å; M160-V204 HydrophobicContact CE-CG2 4.14Å; M160-V204 HydrophobicContact CG-CG2 3.97Å; L163-V204 HydrophobicContact CD1-CB 4.45Å; L163-V204 HydrophobicContact CD1-CG1 3.77Å; L196-V204 HydrophobicContact CB-CG1 4.26Å; L196-V204 HydrophobicContact CD2-CG1 3.87Å; H199-V204 HydrophobicContact CB-CB 4.34Å; H199-V204 HydrophobicContact CB-CG1 3.88Å; H199-V204 WeakPolarHBondContact ND1-CB 3.39Å; S201-V204 WeakPolarHBondContact O-CB 3.43Å; S201-V204 PolarHBondContact O-N 2.99Å; V204-F207 PolarHBondContact O-N 3.42Å; V204-A208 WeakPolarHBondContact O-CB 3.32Å; V204-A208 PolarHBondContact O-N 2.97Å |
| 205 | V | 96.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.6 | -47.5 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | L197 H199 S201 L202 F207 A208 L209 L237 I241 | L197-V205 HydrophobicContact CD2-CG1 4.26Å; H199-V205 HydrophobicContact CB-CG2 4.15Å; H199-V205 WeakPolarHBondContact O-CG2 3.42Å; S201-V205 PolarHBondContact O-N 3.43Å; L202-V205 PolarHBondContact O-N 2.74Å; V205-F207 PolarHBondContact O-N 2.94Å; V205-A208 PolarHBondContact O-N 3.34Å; V205-L209 VanDerWaalsContact O-CB 3.32Å; V205-L209 WeakPolarHBondContact O-CB 3.04Å; V205-L209 PolarHBondContact O-N 3.46Å; V205-L237 HydrophobicContact CG1-CD1 3.99Å; V205-L237 HydrophobicContact CG1-CD2 3.94Å; V205-L237 HydrophobicContact CG1-CG 4.12Å; V205-I241 HydrophobicContact CB-CD1 4.32Å; V205-I241 HydrophobicContact CG1-CD1 3.71Å |
| 206 | V | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.3 | -37 | -176.6 | 77.8 | 0 | 0 | 0 | 0 | 112.5 | L202 T203 S210 I241 | L202-V206 PolarHBondContact O-N 2.7Å; T203-V206 WeakPolarHBondContact O-CG1 3.25Å; V206-S210 WeakPolarHBondContact O-CB 3.25Å; V206-S210 PolarHBondContact O-N 3.45Å; V206-S210 PolarHBondContact O-OG 2.91Å; V206-I241 HydrophobicContact CB-CD1 4.2Å; V206-I241 HydrophobicContact CB-CG2 3.78Å; V206-I241 HydrophobicContact CG2-CD1 4.48Å; V206-I241 HydrophobicContact CG2-CG2 3.83Å |
| 207 | F | 96.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.009 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.4 | -44.8 | 175.2 | -60.9 | -25.1 | 0 | 0 | 0 | 111.4 | Q125 M160 L163 G164 A167 T203 V204 V205 L209 S210 I211 L249 Y253 | Q125-F207 VanDerWaalsContact NE2-CZ 3.3Å; M160-F207 HydrophobicContact CG-CD2 4.41Å; M160-F207 HydrophobicContact CG-CE2 4.06Å; M160-F207 VanDerWaalsContact O-CD2 3.31Å; M160-F207 WeakPolarHBondContact O-CD2 3.49Å; M160-F207 WeakPolarHBondContact O-CE2 3.37Å; L163-F207 HydrophobicContact CB-CB 3.69Å; L163-F207 HydrophobicContact CB-CD2 4.02Å; L163-F207 HydrophobicContact CB-CG 4.34Å; G164-F207 VanDerWaalsContact N-CD2 3.31Å; A167-F207 HydrophobicContact CB-CB 4.49Å; T203-F207 HydrophobicContact CG2-CD2 4.34Å; T203-F207 HydrophobicContact CG2-CE1 4.42Å; T203-F207 HydrophobicContact CG2-CE2 3.62Å; T203-F207 HydrophobicContact CG2-CZ 3.65Å; T203-F207 VanDerWaalsContact O-CD2 3.24Å; T203-F207 WeakPolarHBondContact O-CD2 3.23Å; T203-F207 VanDerWaalsContact O-CG 3.25Å; T203-F207 WeakPolarHBondContact O-CG 3.23Å; T203-F207 PolarHBondContact O-N 3.09Å; V204-F207 PolarHBondContact O-N 3.42Å; V205-F207 PolarHBondContact O-N 2.94Å; F207-L209 VanDerWaalsContact C-N 3.34Å; F207-L209 PolarHBondContact O-N 3.22Å; F207-S210 PolarHBondContact O-N 2.84Å; F207-I211 WeakPolarHBondContact O-CG1 3.33Å; F207-I211 PolarHBondContact O-N 3.28Å; F207-L249 HydrophobicContact CZ-CD2 4.25Å; F207-L249 HydrophobicContact CZ-CG 4.4Å; F207-Y253 AromaticContact CD1-CD1 3.64Å; F207-Y253 HydrophobicContact CD1-CD1 3.64Å; F207-Y253 AromaticContact CD1-CE1 3.86Å; F207-Y253 HydrophobicContact CD1-CE1 3.86Å; F207-Y253 AromaticContact CD1-CG 3.98Å; F207-Y253 HydrophobicContact CD1-CG 3.98Å; F207-Y253 AromaticContact CE1-CD1 3.64Å; F207-Y253 HydrophobicContact CE1-CD1 3.64Å; F207-Y253 AromaticContact CE1-CD2 3.74Å; F207-Y253 HydrophobicContact CE1-CD2 3.74Å; F207-Y253 AromaticContact CE1-CE1 3.69Å; F207-Y253 HydrophobicContact CE1-CE1 3.69Å; F207-Y253 AromaticContact CE1-CE2 3.8Å; F207-Y253 HydrophobicContact CE1-CE2 3.8Å; F207-Y253 AromaticContact CE1-CG 3.66Å; F207-Y253 HydrophobicContact CE1-CG 3.66Å; F207-Y253 AromaticContact CE1-CZ 3.75Å; F207-Y253 HydrophobicContact CZ-CE2 4.48Å |
| 208 | A | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L193 L196 L197 V204 V205 I211 L212 | L193-A208 HydrophobicContact CD2-CB 4.13Å; L196-A208 HydrophobicContact CB-CB 3.94Å; L197-A208 HydrophobicContact CD2-CB 4.3Å; V204-A208 WeakPolarHBondContact O-CB 3.32Å; V204-A208 PolarHBondContact O-N 2.97Å; V205-A208 PolarHBondContact O-N 3.34Å; A208-I211 PolarHBondContact O-N 2.85Å; A208-L212 WeakPolarHBondContact O-CB 3.45Å; A208-L212 WeakPolarHBondContact O-CG 3.45Å; A208-L212 PolarHBondContact O-N 2.72Å |
| 209 | L | 96.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.8 | -33.3 | 176.6 | -168.3 | 58.5 | 0 | 0 | 0 | 112.7 | L197 V205 F207 L212 S213 L225 L237 I238 L257 | L197-L209 HydrophobicContact CD1-CD1 4.29Å; L197-L209 HydrophobicContact CD2-CB 3.74Å; L197-L209 HydrophobicContact CD2-CD1 4.02Å; L197-L209 HydrophobicContact CD2-CG 4.39Å; V205-L209 VanDerWaalsContact O-CB 3.32Å; V205-L209 WeakPolarHBondContact O-CB 3.04Å; V205-L209 PolarHBondContact O-N 3.46Å; F207-L209 VanDerWaalsContact C-N 3.34Å; F207-L209 PolarHBondContact O-N 3.22Å; L209-L212 PolarHBondContact O-N 2.89Å; L209-S213 VanDerWaalsContact O-CB 3.32Å; L209-S213 WeakPolarHBondContact O-CB 3.39Å; L209-S213 PolarHBondContact O-N 2.87Å; L209-L225 HydrophobicContact CD1-CD1 4.35Å; L209-L237 HydrophobicContact CD2-CD2 4.23Å; L209-I238 HydrophobicContact CD2-CD1 4.17Å; L209-I238 HydrophobicContact CD2-CG1 3.67Å; L209-L257 HydrophobicContact CB-CD2 4.2Å; L209-L257 HydrophobicContact CD2-CD2 3.81Å; L209-L257 HydrophobicContact CG-CD2 3.82Å |
| 210 | S | 96.9 | Very high | 93 | Very high | 14 Ų | 14 | 32.5 Ų | 32.5 | 10% | 0.098 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.1 | -40.2 | 174.4 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | V206 F207 S214 | V206-S210 WeakPolarHBondContact O-CB 3.25Å; V206-S210 PolarHBondContact O-N 3.45Å; V206-S210 PolarHBondContact O-OG 2.91Å; F207-S210 PolarHBondContact O-N 2.84Å; S210-S214 WeakPolarHBondContact O-CB 3.36Å; S210-S214 PolarHBondContact O-N 3.2Å; S210-S214 PolarHBondContact O-OG 3.41Å |
| 211 | I | 96.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.5 | -45.3 | 173 | -61.8 | 161.2 | 0 | 0 | 0 | 110.2 | L163 L166 A167 F189 L193 F207 A208 S213 S214 L215 | L163-I211 HydrophobicContact CD2-CD1 3.83Å; L166-I211 HydrophobicContact CB-CD1 4.11Å; L166-I211 HydrophobicContact CD2-CD1 4.22Å; L166-I211 HydrophobicContact CG-CD1 4.16Å; A167-I211 HydrophobicContact CB-CG1 3.97Å; F189-I211 HydrophobicContact CE1-CG2 4.05Å; F189-I211 HydrophobicContact CZ-CG2 4.24Å; L193-I211 HydrophobicContact CD1-CB 4.04Å; L193-I211 HydrophobicContact CD1-CG2 3.5Å; L193-I211 HydrophobicContact CD2-CD1 4.21Å; F207-I211 WeakPolarHBondContact O-CG1 3.33Å; F207-I211 PolarHBondContact O-N 3.28Å; A208-I211 PolarHBondContact O-N 2.85Å; I211-S213 PolarHBondContact O-N 2.97Å; I211-S214 PolarHBondContact O-OG 3.2Å; I211-L215 HydrophobicContact CG2-CD1 3.64Å; I211-L215 HydrophobicContact CG2-CG 4.33Å; I211-L215 WeakPolarHBondContact O-CB 3.49Å; I211-L215 WeakPolarHBondContact O-CG 3.35Å; I211-L215 PolarHBondContact O-N 2.84Å |
| 212 | L | 95.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 176.9 | -76.9 | 166 | 0 | 0 | 0 | 112.4 | Y190 L193 I194 L197 A208 L209 T216 L225 | Y190-L212 HydrophobicContact CD1-CD2 4.46Å; L193-L212 HydrophobicContact CB-CD1 3.79Å; L193-L212 HydrophobicContact CB-CD2 3.92Å; L193-L212 HydrophobicContact CB-CG 3.74Å; L193-L212 HydrophobicContact CD1-CD2 4.08Å; L193-L212 HydrophobicContact CD1-CG 4.01Å; I194-L212 HydrophobicContact CG1-CD1 4.01Å; I194-L212 HydrophobicContact CG1-CD2 4.17Å; L197-L212 HydrophobicContact CD1-CD1 3.96Å; L197-L212 HydrophobicContact CD2-CD1 4.21Å; L197-L212 HydrophobicContact CG-CD1 4.18Å; A208-L212 WeakPolarHBondContact O-CB 3.45Å; A208-L212 WeakPolarHBondContact O-CG 3.45Å; A208-L212 PolarHBondContact O-N 2.72Å; L209-L212 PolarHBondContact O-N 2.89Å; L212-T216 WeakPolarHBondContact O-CA 3.19Å; L212-T216 WeakPolarHBondContact O-CB 3.38Å; L212-T216 PolarHBondContact O-N 3.08Å; L212-T216 PolarHBondContact O-OG1 3.2Å; L212-L225 HydrophobicContact CB-CD1 4.16Å; L212-L225 HydrophobicContact CD1-CD1 4.07Å |
| 213 | S | 95.5 | Very high | 91.8 | Very high | 6 Ų | 6 | 30.9 Ų | 30.9 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.2 | -61.3 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 111 | L209 I211 L215 T216 L217 L257 | L209-S213 VanDerWaalsContact O-CB 3.32Å; L209-S213 WeakPolarHBondContact O-CB 3.39Å; L209-S213 PolarHBondContact O-N 2.87Å; I211-S213 PolarHBondContact O-N 2.97Å; S213-L215 PolarHBondContact O-N 2.84Å; S213-L215 VanDerWaalsContact O-N 3.08Å; S213-T216 PolarHBondContact O-N 3.42Å; S213-L217 VanDerWaalsContact O-CB 3.28Å; S213-L217 WeakPolarHBondContact O-CB 3.16Å; S213-L217 PolarHBondContact O-N 3.09Å; S213-L257 VanDerWaalsContact CB-CD1 3.47Å |
| 214 | S | 94.4 | Very high | 91.5 | Very high | 25 Ų | 25 | 36.6 Ų | 36.6 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60 | -25.4 | -175.8 | 53.2 | 0 | 0 | 0 | 0 | 114.7 | C170 Q177 S210 I211 | C170-S214 VanDerWaalsContact CB-OG 3.25Å; C170-S214 WeakPolarHBondContact CB-OG 3.45Å; Q177-S214 PolarHBondContact NE2-O 3.15Å; S210-S214 WeakPolarHBondContact O-CB 3.36Å; S210-S214 PolarHBondContact O-N 3.2Å; S210-S214 PolarHBondContact O-OG 3.41Å; I211-S214 PolarHBondContact O-OG 3.2Å |
| 215 | L | 93.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -90.3 | -50.1 | 173.1 | -62.1 | 176.5 | 0 | 0 | 0 | 113 | Q177 I180 K181 F189 Y190 I211 S213 | Q177-L215 HydrophobicContact CB-CD2 4.05Å; Q177-L215 HydrophobicContact CG-CD2 4.15Å; I180-L215 HydrophobicContact CB-CD2 4.3Å; I180-L215 HydrophobicContact CG2-CD1 3.74Å; I180-L215 HydrophobicContact CG2-CD2 4.29Å; K181-L215 WeakPolarHBondContact CE-O 3.46Å; K181-L215 PolarHBondContact NZ-O 3.01Å; F189-L215 HydrophobicContact CE1-CD1 4.42Å; Y190-L215 HydrophobicContact CE1-CB 4.07Å; Y190-L215 HydrophobicContact CE1-CD1 3.88Å; I211-L215 HydrophobicContact CG2-CD1 3.64Å; I211-L215 HydrophobicContact CG2-CG 4.33Å; I211-L215 WeakPolarHBondContact O-CB 3.49Å; I211-L215 WeakPolarHBondContact O-CG 3.35Å; I211-L215 PolarHBondContact O-N 2.84Å; S213-L215 PolarHBondContact O-N 2.84Å; S213-L215 VanDerWaalsContact O-N 3.08Å |
| 216 | T | 92.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -102.4 | -1.4 | -163.4 | 72.1 | 0 | 0 | 0 | 0 | 115.9 | Y190 L212 S213 N218 E219 V221 G222 | Y190-T216 HydrophobicContact CD1-CG2 4.25Å; Y190-T216 HydrophobicContact CD2-CG2 4.26Å; Y190-T216 HydrophobicContact CE1-CG2 3.79Å; Y190-T216 HydrophobicContact CE2-CG2 3.79Å; Y190-T216 HydrophobicContact CG-CG2 4.47Å; L212-T216 WeakPolarHBondContact O-CA 3.19Å; L212-T216 WeakPolarHBondContact O-CB 3.38Å; L212-T216 PolarHBondContact O-N 3.08Å; L212-T216 PolarHBondContact O-OG1 3.2Å; S213-T216 PolarHBondContact O-N 3.42Å; T216-N218 PolarHBondContact O-N 3.1Å; T216-E219 PolarHBondContact O-N 3.43Å; T216-V221 HydrophobicContact CG2-CB 4.49Å; T216-G222 WeakPolarHBondContact O-CA 3.48Å; T216-G222 WeakPolarHBondContact OG1-CA 3.39Å |
| 217 | L | 89.1 | Confident | 90.9 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 23% | 0.225 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -34.6 | -174.5 | -172 | 63.6 | 0 | 0 | 0 | 115.4 | S213 F226 L261 I267 | S213-L217 VanDerWaalsContact O-CB 3.28Å; S213-L217 WeakPolarHBondContact O-CB 3.16Å; S213-L217 PolarHBondContact O-N 3.09Å; L217-F226 HydrophobicContact CD1-CD1 4.41Å; L217-F226 HydrophobicContact CD1-CD2 4.19Å; L217-F226 HydrophobicContact CD1-CE2 4.39Å; L217-F226 HydrophobicContact CD1-CG 4.21Å; L217-L261 HydrophobicContact CD1-CD2 3.62Å; L217-I267 HydrophobicContact CD1-CD1 3.49Å; L217-I267 VanDerWaalsContact CD1-CD1 3.49Å |
| 218 | N | 83.3 | Confident | 90.5 | Very high | 140 Ų | 140 | 43.5 Ų | 43.5 | 75% | 0.749 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -117.6 | 25.2 | -179.2 | -61.4 | -48.6 | 0 | 0 | 0 | 112.3 | T216 | T216-N218 PolarHBondContact O-N 3.1Š|
| 219 | E | 83.8 | Confident | 90.1 | Very high | 56 Ų | 56 | 53.2 Ų | 53.2 | 26% | 0.262 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -117.6 | 150.8 | 179.2 | -60.3 | -169.7 | 163.3 | 0 | 0 | 111.8 | K181 Y190 T216 V221 G222 | K181-E219 VanDerWaalsContact CD-OE1 3.24Å; K181-E219 WeakPolarHBondContact CD-OE1 3.3Å; K181-E219 WeakPolarHBondContact CE-OE1 3.25Å; K181-E219 IonicContact NZ-OE1 2.92Å; K181-E219 PolarHBondContact NZ-OE1 3.43Å; Y190-E219 PolarHBondContact OH-OE2 3.47Å; T216-E219 PolarHBondContact O-N 3.43Å; E219-V221 PolarHBondContact O-N 3.4Å; E219-G222 WeakPolarHBondContact O-CA 3.4Å; E219-G222 PolarHBondContact O-N 2.69Å |
| 220 | E | 81.4 | Confident | 89.8 | Confident | 183 Ų | 183 | 56.3 Ų | 56.3 | 86% | 0.855 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -25.8 | 176.3 | -59.8 | -179.2 | 170.4 | 0 | 0 | 113.6 | ||
| 221 | V | 81.8 | Confident | 89.7 | Confident | 49 Ų | 49 | 56 Ų | 56 | 30% | 0.297 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -35.9 | 175.4 | -174.3 | 0 | 0 | 0 | 0 | 111.3 | Y190 T216 E219 E223 K224 | Y190-V221 HydrophobicContact CD2-CB 4.43Å; Y190-V221 HydrophobicContact CD2-CG1 3.88Å; Y190-V221 HydrophobicContact CD2-CG2 4.41Å; Y190-V221 HydrophobicContact CE2-CG1 4.43Å; Y190-V221 HydrophobicContact CE2-CG2 4.44Å; T216-V221 HydrophobicContact CG2-CB 4.49Å; E219-V221 PolarHBondContact O-N 3.4Å; V221-E223 VanDerWaalsContact C-N 3.33Å; V221-E223 PolarHBondContact O-N 2.85Å; V221-K224 WeakPolarHBondContact O-CB 3.28Å; V221-K224 PolarHBondContact O-N 3Å |
| 222 | G | 84.3 | Confident | 89.5 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -21.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T216 E219 K224 L225 F226 | T216-G222 WeakPolarHBondContact O-CA 3.48Å; T216-G222 WeakPolarHBondContact OG1-CA 3.39Å; E219-G222 WeakPolarHBondContact O-CA 3.4Å; E219-G222 PolarHBondContact O-N 2.69Å; G222-K224 PolarHBondContact O-N 2.9Å; G222-L225 PolarHBondContact O-N 3.18Å; G222-F226 VanDerWaalsContact O-CD2 3.3Å; G222-F226 WeakPolarHBondContact O-CD2 3.38Å; G222-F226 PolarHBondContact O-N 3.15Å |
| 223 | E | 86.4 | Confident | 89.4 | Confident | 99 Ų | 99 | 64.1 Ų | 64.1 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.5 | -22.1 | 171.6 | -66.2 | -67.9 | 168.6 | 0 | 0 | 112.3 | V221 L225 H227 | V221-E223 VanDerWaalsContact C-N 3.33Å; V221-E223 PolarHBondContact O-N 2.85Å; E223-L225 PolarHBondContact O-N 3.47Å; E223-H227 HydrophobicContact CB-CB 4.33Å; E223-H227 WeakPolarHBondContact O-CB 3.04Å; E223-H227 PolarHBondContact O-N 2.91Å; E223-H227 VanDerWaalsContact OE2-CB 3.24Å; E223-H227 WeakPolarHBondContact OE2-CB 3.27Å; E223-H227 IonicContact OE2-CD2 3.62Å; E223-H227 PolarHBondContact OE2-CD2 2.75Å; E223-H227 IonicContact OE2-CG 2.76Å |
| 224 | K | 87.6 | Confident | 89.4 | Confident | 136 Ų | 136 | 64.1 Ų | 64.1 | 59% | 0.591 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.3 | -24.4 | 171.8 | -67.2 | -177.9 | 179.3 | 179.1 | 0 | 114 | V221 G222 N230 | V221-K224 WeakPolarHBondContact O-CB 3.28Å; V221-K224 PolarHBondContact O-N 3Å; G222-K224 PolarHBondContact O-N 2.9Å; K224-N230 WeakPolarHBondContact O-CB 3.44Å; K224-N230 PolarHBondContact O-ND2 3.05Å |
| 225 | L | 88.5 | Confident | 89.6 | Confident | 24 Ų | 24 | 63 Ų | 63 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -114.9 | -37.2 | -177.3 | -61.7 | 172.5 | 0 | 0 | 0 | 112.4 | L197 L209 L212 G222 E223 I231 T234 | L197-L225 HydrophobicContact CD1-CD1 4.45Å; L197-L225 HydrophobicContact CD1-CD2 3.98Å; L209-L225 HydrophobicContact CD1-CD1 4.35Å; L212-L225 HydrophobicContact CB-CD1 4.16Å; L212-L225 HydrophobicContact CD1-CD1 4.07Å; G222-L225 PolarHBondContact O-N 3.18Å; E223-L225 PolarHBondContact O-N 3.47Å; L225-I231 WeakPolarHBondContact O-CA 3.34Å; L225-T234 PolarHBondContact O-OG1 2.97Å |
| 226 | F | 93.1 | Very high | 89.7 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 5% | 0.048 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -105.3 | -7.9 | -168.3 | -53.4 | -59.6 | 0 | 0 | 0 | 114.5 | L217 G222 I231 T234 L261 I267 | L217-F226 HydrophobicContact CD1-CD1 4.41Å; L217-F226 HydrophobicContact CD1-CD2 4.19Å; L217-F226 HydrophobicContact CD1-CE2 4.39Å; L217-F226 HydrophobicContact CD1-CG 4.21Å; G222-F226 VanDerWaalsContact O-CD2 3.3Å; G222-F226 WeakPolarHBondContact O-CD2 3.38Å; G222-F226 PolarHBondContact O-N 3.15Å; F226-I231 HydrophobicContact CB-CD1 4.47Å; F226-I231 HydrophobicContact CD1-CD1 4.02Å; F226-T234 HydrophobicContact CD1-CG2 4.4Å; F226-T234 HydrophobicContact CE1-CG2 4.09Å; F226-L261 HydrophobicContact CD1-CD2 4.06Å; F226-L261 HydrophobicContact CE1-CD1 4.48Å; F226-L261 HydrophobicContact CE1-CD2 3.7Å; F226-L261 HydrophobicContact CZ-CD2 4.37Å; F226-I267 HydrophobicContact CB-CD1 4.15Å; F226-I267 HydrophobicContact CD1-CD1 4.17Å; F226-I267 HydrophobicContact CG-CD1 4.34Å |
| 227 | H | 92.7 | Very high | 89.8 | Confident | 68 Ų | 68 | 69.9 Ų | 69.9 | 32% | 0.315 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -65.4 | 147 | 172.9 | -175 | -109.3 | 0 | 0 | 0 | 111.5 | E223 R229 N230 I231 | E223-H227 HydrophobicContact CB-CB 4.33Å; E223-H227 WeakPolarHBondContact O-CB 3.04Å; E223-H227 PolarHBondContact O-N 2.91Å; E223-H227 VanDerWaalsContact OE2-CB 3.24Å; E223-H227 WeakPolarHBondContact OE2-CB 3.27Å; E223-H227 IonicContact OE2-CD2 3.62Å; E223-H227 PolarHBondContact OE2-CD2 2.75Å; E223-H227 IonicContact OE2-CG 2.76Å; H227-R229 PolarHBondContact ND1-N 3.2Å; H227-R229 PolarHBondContact O-N 3.47Å; H227-N230 PolarHBondContact O-N 2.87Å; H227-I231 PolarHBondContact O-N 3.34Å |
| 228 | A | 88.7 | Confident | 90.2 | Very high | 52 Ų | 52 | 67.9 Ų | 67.9 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -23.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y270 | A228-Y270 HydrophobicContact CB-CD1 4.33Å; A228-Y270 HydrophobicContact CB-CE1 3.76Å; A228-Y270 HydrophobicContact CB-CE2 4.08Å |
| 229 | R | 88.2 | Confident | 90.9 | Very high | 204 Ų | 204 | 61.3 Ų | 61.3 | 77% | 0.77 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -21.5 | 177.7 | -65.5 | 179.4 | -175.2 | 174.4 | 1.2 | 114.6 | H227 | H227-R229 PolarHBondContact ND1-N 3.2Å; H227-R229 PolarHBondContact O-N 3.47Å |
| 230 | N | 91 | Very high | 91.5 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.6 | -16.2 | -170.3 | -61.4 | 12.8 | 0 | 0 | 0 | 112.5 | K224 H227 H232 Q233 T234 | K224-N230 WeakPolarHBondContact O-CB 3.44Å; K224-N230 PolarHBondContact O-ND2 3.05Å; H227-N230 PolarHBondContact O-N 2.87Å; N230-H232 PolarHBondContact O-N 3.14Å; N230-Q233 PolarHBondContact O-N 3.43Å; N230-Q233 PolarHBondContact O-OE1 3.39Å; N230-T234 PolarHBondContact O-N 3.43Å |
| 231 | I | 94.4 | Very high | 92.1 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.5 | -26.9 | 179.2 | -167.4 | 74 | 0 | 0 | 0 | 112.7 | L225 F226 H227 Q233 T234 F235 I267 Y270 | L225-I231 WeakPolarHBondContact O-CA 3.34Å; F226-I231 HydrophobicContact CB-CD1 4.47Å; F226-I231 HydrophobicContact CD1-CD1 4.02Å; H227-I231 PolarHBondContact O-N 3.34Å; I231-Q233 PolarHBondContact O-N 2.91Å; I231-T234 HydrophobicContact CD1-CG2 4.4Å; I231-T234 CarbonylContact O-C 3.16Å; I231-T234 WeakPolarHBondContact O-CB 3.24Å; I231-T234 PolarHBondContact O-N 2.92Å; I231-T234 VanDerWaalsContact O-N 3.13Å; I231-F235 HydrophobicContact CB-CE2 4.4Å; I231-F235 HydrophobicContact CD1-CE1 4.09Å; I231-F235 HydrophobicContact CD1-CE2 4.48Å; I231-F235 HydrophobicContact CD1-CZ 4.04Å; I231-F235 HydrophobicContact CG1-CD1 4.35Å; I231-F235 HydrophobicContact CG1-CD2 3.94Å; I231-F235 HydrophobicContact CG1-CE1 3.89Å; I231-F235 HydrophobicContact CG1-CE2 3.43Å; I231-F235 VanDerWaalsContact CG1-CE2 3.43Å; I231-F235 HydrophobicContact CG1-CG 4.37Å; I231-F235 HydrophobicContact CG1-CZ 3.4Å; I231-F235 VanDerWaalsContact CG1-CZ 3.4Å; I231-F235 HydrophobicContact CG2-CE2 4.22Å; I231-F235 WeakPolarHBondContact O-CD2 3.37Å; I231-F235 WeakPolarHBondContact O-CG 3.38Å; I231-F235 PolarHBondContact O-N 2.94Å; I231-I267 HydrophobicContact CD1-CG2 3.95Å; I231-I267 HydrophobicContact CG1-CG2 4.47Å; I231-Y270 HydrophobicContact CB-CD2 4.26Å; I231-Y270 HydrophobicContact CG1-CD2 4.17Å; I231-Y270 HydrophobicContact CG2-CD2 3.9Å; I231-Y270 HydrophobicContact CG2-CG 4.1Å |
| 232 | H | 93.2 | Very high | 92.8 | Very high | 58 Ų | 58 | 50.6 Ų | 50.6 | 27% | 0.269 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.4 | -46.8 | 175 | -174 | -68.8 | 0 | 0 | 0 | 112 | N230 T234 F235 Q236 Y274 H276 | N230-H232 PolarHBondContact O-N 3.14Å; H232-T234 VanDerWaalsContact C-N 3.32Å; H232-F235 PolarHBondContact O-N 3.22Å; H232-Q236 WeakPolarHBondContact O-CB 2.87Å; H232-Q236 PolarHBondContact O-N 3.19Å; H232-Y274 HydrophobicContact CB-CE2 4.49Å; H232-Y274 AromaticContact CD2-CD2 3.64Å; H232-Y274 AromaticContact CD2-CE2 3.58Å; H232-Y274 AromaticContact CE1-CE2 3.74Å; H232-Y274 AromaticContact CG-CE2 3.76Å; H232-Y274 AromaticContact ND1-CE2 3.86Å; H232-Y274 AromaticContact NE2-CD2 3.96Å; H232-Y274 AromaticContact NE2-CE2 3.56Å; H232-H276 AromaticContact CE1-CD2 3.82Å; H232-H276 AromaticContact CE1-NE2 3.95Å; H232-H276 AromaticContact NE2-CD2 3.91Å |
| 233 | Q | 93.9 | Very high | 93.3 | Very high | 112 Ų | 112 | 51.9 Ų | 51.9 | 52% | 0.523 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -66.1 | -37 | 176.5 | -66.8 | 82.5 | -8.2 | 0 | 0 | 111 | N230 I231 Q236 L237 | N230-Q233 PolarHBondContact O-N 3.43Å; N230-Q233 PolarHBondContact O-OE1 3.39Å; I231-Q233 PolarHBondContact O-N 2.91Å; Q233-Q236 PolarHBondContact O-N 3.2Å; Q233-L237 WeakPolarHBondContact O-CB 3.49Å; Q233-L237 PolarHBondContact O-N 2.99Å |
| 234 | T | 95.7 | Very high | 93.5 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 4% | 0.043 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -45.6 | 176.1 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | L225 F226 N230 I231 H232 L237 I238 | L225-T234 PolarHBondContact O-OG1 2.97Å; F226-T234 HydrophobicContact CD1-CG2 4.4Å; F226-T234 HydrophobicContact CE1-CG2 4.09Å; N230-T234 PolarHBondContact O-N 3.43Å; I231-T234 HydrophobicContact CD1-CG2 4.4Å; I231-T234 CarbonylContact O-C 3.16Å; I231-T234 WeakPolarHBondContact O-CB 3.24Å; I231-T234 PolarHBondContact O-N 2.92Å; I231-T234 VanDerWaalsContact O-N 3.13Å; H232-T234 VanDerWaalsContact C-N 3.32Å; T234-L237 PolarHBondContact O-N 3.42Å; T234-I238 HydrophobicContact CG2-CD1 4.01Å; T234-I238 VanDerWaalsContact O-CG1 3.29Å; T234-I238 WeakPolarHBondContact O-CG1 3.44Å; T234-I238 PolarHBondContact O-N 2.84Å |
| 235 | F | 97.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 174 | -66.4 | -38.6 | 0 | 0 | 0 | 112 | I231 H232 L237 I238 F239 I267 L271 Y274 | I231-F235 HydrophobicContact CB-CE2 4.4Å; I231-F235 HydrophobicContact CD1-CE1 4.09Å; I231-F235 HydrophobicContact CD1-CE2 4.48Å; I231-F235 HydrophobicContact CD1-CZ 4.04Å; I231-F235 HydrophobicContact CG1-CD1 4.35Å; I231-F235 HydrophobicContact CG1-CD2 3.94Å; I231-F235 HydrophobicContact CG1-CE1 3.89Å; I231-F235 HydrophobicContact CG1-CE2 3.43Å; I231-F235 VanDerWaalsContact CG1-CE2 3.43Å; I231-F235 HydrophobicContact CG1-CG 4.37Å; I231-F235 HydrophobicContact CG1-CZ 3.4Å; I231-F235 VanDerWaalsContact CG1-CZ 3.4Å; I231-F235 HydrophobicContact CG2-CE2 4.22Å; I231-F235 WeakPolarHBondContact O-CD2 3.37Å; I231-F235 WeakPolarHBondContact O-CG 3.38Å; I231-F235 PolarHBondContact O-N 2.94Å; H232-F235 PolarHBondContact O-N 3.22Å; F235-L237 VanDerWaalsContact C-N 3.26Å; F235-L237 PolarHBondContact O-N 3.12Å; F235-I238 PolarHBondContact O-N 3.33Å; F235-F239 HydrophobicContact CB-CD2 4.38Å; F235-F239 HydrophobicContact CB-CE2 4.4Å; F235-F239 VanDerWaalsContact O-CD2 3.22Å; F235-F239 WeakPolarHBondContact O-CD2 3.2Å; F235-F239 PolarHBondContact O-N 2.83Å; F235-I267 HydrophobicContact CE1-CG2 3.81Å; F235-I267 HydrophobicContact CZ-CG2 3.79Å; F235-L271 HydrophobicContact CD1-CD1 3.95Å; F235-L271 HydrophobicContact CD2-CD1 3.98Å; F235-L271 HydrophobicContact CE1-CB 4.19Å; F235-L271 HydrophobicContact CE1-CD1 4Å; F235-L271 HydrophobicContact CE2-CB 4.06Å; F235-L271 HydrophobicContact CE2-CD1 4.01Å; F235-L271 HydrophobicContact CG-CD1 3.95Å; F235-L271 HydrophobicContact CZ-CB 3.69Å; F235-L271 HydrophobicContact CZ-CD1 4.02Å; F235-L271 HydrophobicContact CZ-CG 4.42Å; F235-Y274 HydrophobicContact CB-CD1 4.25Å; F235-Y274 HydrophobicContact CB-CD2 4.15Å; F235-Y274 HydrophobicContact CB-CE1 4.05Å; F235-Y274 HydrophobicContact CB-CE2 3.93Å; F235-Y274 HydrophobicContact CB-CG 4.32Å; F235-Y274 HydrophobicContact CD2-CD1 4.44Å; F235-Y274 AromaticContact CD2-CD2 3.87Å; F235-Y274 HydrophobicContact CD2-CD2 3.87Å; F235-Y274 HydrophobicContact CD2-CE2 4.46Å; F235-Y274 AromaticContact CD2-CG 3.87Å; F235-Y274 HydrophobicContact CD2-CG 3.87Å; F235-Y274 HydrophobicContact CG-CG 4.49Å |
| 236 | Q | 96.1 | Very high | 92.8 | Very high | 103 Ų | 103 | 51.4 Ų | 51.4 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.3 | -40.7 | 176.3 | -172.7 | 179.3 | 4.1 | 0 | 0 | 111.6 | H232 Q233 N240 Y274 | H232-Q236 WeakPolarHBondContact O-CB 2.87Å; H232-Q236 PolarHBondContact O-N 3.19Å; Q233-Q236 PolarHBondContact O-N 3.2Å; Q236-N240 WeakPolarHBondContact O-CB 3.27Å; Q236-N240 PolarHBondContact O-N 3.46Å; Q236-Y274 WeakPolarHBondContact CA-OH 3.37Å; Q236-Y274 PolarHBondContact N-OH 3.42Å |
| 237 | L | 96.3 | Very high | 92.1 | Very high | 43 Ų | 43 | 52.4 Ų | 52.4 | 23% | 0.225 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.3 | -47 | 176.2 | -172.4 | 59.2 | 0 | 0 | 0 | 112 | L197 V205 L209 Q233 T234 F235 N240 I241 | L197-L237 HydrophobicContact CB-CD2 4.43Å; V205-L237 HydrophobicContact CG1-CD1 3.99Å; V205-L237 HydrophobicContact CG1-CD2 3.94Å; V205-L237 HydrophobicContact CG1-CG 4.12Å; L209-L237 HydrophobicContact CD2-CD2 4.23Å; Q233-L237 WeakPolarHBondContact O-CB 3.49Å; Q233-L237 PolarHBondContact O-N 2.99Å; T234-L237 PolarHBondContact O-N 3.42Å; F235-L237 VanDerWaalsContact C-N 3.26Å; F235-L237 PolarHBondContact O-N 3.12Å; L237-N240 PolarHBondContact O-N 3.33Å; L237-I241 HydrophobicContact CD1-CD1 4.37Å; L237-I241 HydrophobicContact CG-CD1 4.04Å; L237-I241 WeakPolarHBondContact O-CD1 3.35Å; L237-I241 VanDerWaalsContact O-CG1 3.22Å; L237-I241 WeakPolarHBondContact O-CG1 3.33Å; L237-I241 PolarHBondContact O-N 2.9Å |
| 238 | I | 97.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 179.3 | -69.7 | 167.7 | 0 | 0 | 0 | 111.5 | L209 T234 F235 I241 L242 S254 L257 L258 L261 | L209-I238 HydrophobicContact CD2-CD1 4.17Å; L209-I238 HydrophobicContact CD2-CG1 3.67Å; T234-I238 HydrophobicContact CG2-CD1 4.01Å; T234-I238 VanDerWaalsContact O-CG1 3.29Å; T234-I238 WeakPolarHBondContact O-CG1 3.44Å; T234-I238 PolarHBondContact O-N 2.84Å; F235-I238 PolarHBondContact O-N 3.33Å; I238-I241 PolarHBondContact O-N 2.82Å; I238-L242 WeakPolarHBondContact O-CB 3.17Å; I238-L242 PolarHBondContact O-N 3.41Å; I238-S254 PolarHBondContact O-OG 2.82Å; I238-S254 VanDerWaalsContact O-OG 3.14Å; I238-L257 HydrophobicContact CD1-CD2 4.08Å; I238-L257 HydrophobicContact CD1-CG 4.29Å; I238-L257 HydrophobicContact CG1-CD2 4.01Å; I238-L258 HydrophobicContact CG2-CB 4.09Å; I238-L258 HydrophobicContact CG2-CD1 4.42Å; I238-L258 HydrophobicContact CG2-CD2 4.06Å; I238-L258 HydrophobicContact CG2-CG 4.42Å; I238-L261 HydrophobicContact CD1-CD1 3.51Å |
| 239 | F | 97.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 177 | -74.4 | -62.7 | 0 | 0 | 0 | 112.3 | F235 I241 L242 I243 L258 L271 Y274 F277 C280 V284 F306 | F235-F239 HydrophobicContact CB-CD2 4.38Å; F235-F239 HydrophobicContact CB-CE2 4.4Å; F235-F239 VanDerWaalsContact O-CD2 3.22Å; F235-F239 WeakPolarHBondContact O-CD2 3.2Å; F235-F239 PolarHBondContact O-N 2.83Å; F239-I241 PolarHBondContact O-N 2.65Å; F239-L242 PolarHBondContact O-N 3.35Å; F239-I243 HydrophobicContact CB-CD1 4.29Å; F239-I243 WeakPolarHBondContact O-CB 3.45Å; F239-I243 WeakPolarHBondContact O-CD1 3.49Å; F239-I243 WeakPolarHBondContact O-CG1 3.49Å; F239-I243 PolarHBondContact O-N 3.43Å; F239-L258 HydrophobicContact CE1-CD2 4Å; F239-L258 HydrophobicContact CZ-CD2 4.07Å; F239-L271 HydrophobicContact CE2-CD1 3.85Å; F239-L271 HydrophobicContact CZ-CD1 4.15Å; F239-Y274 AromaticContact CD2-CE1 3.91Å; F239-Y274 HydrophobicContact CD2-CE1 3.91Å; F239-Y274 HydrophobicContact CE2-CD1 4.21Å; F239-Y274 AromaticContact CE2-CE1 3.93Å; F239-Y274 HydrophobicContact CE2-CE1 3.93Å; F239-F277 HydrophobicContact CE2-CD2 4.46Å; F239-F277 HydrophobicContact CZ-CD2 4.03Å; F239-F277 HydrophobicContact CZ-CE2 4.19Å; F239-C280 HydrophobicContact CB-CB 4.24Å; F239-C280 HydrophobicContact CD1-CB 3.75Å; F239-C280 HydrophobicContact CD2-CB 3.9Å; F239-C280 HydrophobicContact CE1-CB 4Å; F239-C280 HydrophobicContact CE2-CB 4.15Å; F239-C280 HydrophobicContact CG-CB 3.7Å; F239-C280 HydrophobicContact CZ-CB 4.2Å; F239-V284 HydrophobicContact CD1-CG2 4.3Å; F239-V284 HydrophobicContact CE1-CG2 4.31Å; F239-F306 HydrophobicContact CE1-CZ 4.22Å; F239-F306 HydrophobicContact CZ-CZ 4.3Å |
| 240 | N | 95.6 | Very high | 92.1 | Very high | 63 Ų | 63 | 42.9 Ų | 42.9 | 34% | 0.337 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61 | -43.6 | 173.1 | -179.8 | 58.1 | 0 | 0 | 0 | 111.9 | Q236 L237 L242 N244 | Q236-N240 WeakPolarHBondContact O-CB 3.27Å; Q236-N240 PolarHBondContact O-N 3.46Å; L237-N240 PolarHBondContact O-N 3.33Å; N240-L242 VanDerWaalsContact C-N 3.34Å; N240-N244 WeakPolarHBondContact O-CA 3.44Å; N240-N244 VanDerWaalsContact O-CB 3.32Å; N240-N244 WeakPolarHBondContact O-CB 3.47Å; N240-N244 PolarHBondContact O-N 3.03Å; N240-N244 PolarHBondContact OD1-ND2 3.33Å |
| 241 | I | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 173.9 | -67.2 | 160.3 | 0 | 0 | 0 | 111.2 | L202 V205 V206 L237 I238 F239 G245 | L202-I241 HydrophobicContact CB-CG1 4.35Å; L202-I241 HydrophobicContact CD2-CG1 4.05Å; V205-I241 HydrophobicContact CB-CD1 4.32Å; V205-I241 HydrophobicContact CG1-CD1 3.71Å; V206-I241 HydrophobicContact CB-CD1 4.2Å; V206-I241 HydrophobicContact CB-CG2 3.78Å; V206-I241 HydrophobicContact CG2-CD1 4.48Å; V206-I241 HydrophobicContact CG2-CG2 3.83Å; L237-I241 HydrophobicContact CD1-CD1 4.37Å; L237-I241 HydrophobicContact CG-CD1 4.04Å; L237-I241 WeakPolarHBondContact O-CD1 3.35Å; L237-I241 VanDerWaalsContact O-CG1 3.22Å; L237-I241 WeakPolarHBondContact O-CG1 3.33Å; L237-I241 PolarHBondContact O-N 2.9Å; I238-I241 PolarHBondContact O-N 2.82Å; F239-I241 PolarHBondContact O-N 2.65Å; I241-G245 WeakPolarHBondContact O-CA 3.37Å; I241-G245 PolarHBondContact O-N 3.35Å |
| 242 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.4 | -39 | -175.5 | -172.3 | 147.1 | 0 | 0 | 0 | 112.6 | I238 F239 N240 R251 V255 V284 L287 L302 | I238-L242 WeakPolarHBondContact O-CB 3.17Å; I238-L242 PolarHBondContact O-N 3.41Å; F239-L242 PolarHBondContact O-N 3.35Å; N240-L242 VanDerWaalsContact C-N 3.34Å; L242-R251 WeakPolarHBondContact O-CG 3.48Å; L242-V255 HydrophobicContact CD1-CG2 3.69Å; L242-V284 HydrophobicContact CD2-CG1 4.41Å; L242-V284 HydrophobicContact CD2-CG2 3.7Å; L242-L287 HydrophobicContact CD2-CD1 3.65Å; L242-L302 HydrophobicContact CD1-CD2 3.47Å; L242-L302 VanDerWaalsContact CD1-CD2 3.47Å |
| 243 | I | 94.1 | Very high | 92.2 | Very high | 28 Ų | 28 | 41.8 Ų | 41.8 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -85.8 | -48.8 | -176.8 | -61.5 | 160.9 | 0 | 0 | 0 | 110.8 | F239 Q283 | F239-I243 HydrophobicContact CB-CD1 4.29Å; F239-I243 WeakPolarHBondContact O-CB 3.45Å; F239-I243 WeakPolarHBondContact O-CD1 3.49Å; F239-I243 WeakPolarHBondContact O-CG1 3.49Å; F239-I243 PolarHBondContact O-N 3.43Å; I243-Q283 HydrophobicContact CD1-CB 3.64Å; I243-Q283 HydrophobicContact CG1-CB 4.12Å; I243-Q283 HydrophobicContact CG2-CB 4.21Å |
| 244 | N | 92.2 | Very high | 92.3 | Very high | 109 Ų | 109 | 36.5 Ų | 36.5 | 58% | 0.583 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -100.2 | 1.5 | -174.1 | -56.1 | -46 | 0 | 0 | 0 | 113.6 | N240 | N240-N244 WeakPolarHBondContact O-CA 3.44Å; N240-N244 VanDerWaalsContact O-CB 3.32Å; N240-N244 WeakPolarHBondContact O-CB 3.47Å; N240-N244 PolarHBondContact O-N 3.03Å; N240-N244 PolarHBondContact OD1-ND2 3.33Å |
| 245 | G | 86.9 | Confident | 92.4 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 5% | 0.052 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -70.9 | 150 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | I241 T250 R251 | I241-G245 WeakPolarHBondContact O-CA 3.37Å; I241-G245 PolarHBondContact O-N 3.35Å; G245-T250 VanDerWaalsContact C-OG1 3.31Å; G245-R251 PolarHBondContact O-NH2 3.44Å |
| 246 | D | 73.3 | Confident | 92.3 | Very high | 136 Ų | 136 | 36.3 Ų | 36.3 | 73% | 0.727 | 19% | 0.193 | S | C | * | . | trans | -77.2 | 131.1 | -179.4 | -171.7 | 22.5 | 0 | 0 | 0 | 112.1 | T250 | D246-T250 PolarHBondContact N-OG1 3.11Å; D246-T250 WeakPolarHBondContact O-CB 3.41Å; D246-T250 VanDerWaalsContact O-CG2 3.26Å; D246-T250 WeakPolarHBondContact O-CG2 3.5Å; D246-T250 PolarHBondContact O-OG1 3.4Å | ||
| 247 | G | 79.1 | Confident | 92.3 | Very high | 31 Ų | 31 | 31.6 Ų | 31.6 | 32% | 0.32 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | 57.1 | -172.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | L249 T250 | G247-L249 VanDerWaalsContact C-N 3.3Å; G247-L249 PolarHBondContact O-N 3.12Å; G247-T250 PolarHBondContact O-OG1 3.45Å |
| 248 | T | 85.7 | Confident | 92.4 | Very high | 50 Ų | 50 | 29.6 Ų | 29.6 | 31% | 0.307 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.8 | -30.3 | 179.3 | -41.4 | 0 | 0 | 0 | 0 | 112.2 | K252 D292 D294 | T248-K252 VanDerWaalsContact O-CB 3.3Å; T248-K252 WeakPolarHBondContact O-CB 3.44Å; T248-K252 PolarHBondContact O-N 3.09Å; T248-D292 WeakPolarHBondContact CG2-OD2 3.26Å; T248-D292 PolarHBondContact OG1-OD2 3.41Å; T248-D294 HydrophobicContact CG2-CB 3.65Å |
| 249 | L | 90.4 | Very high | 92.4 | Very high | 75 Ų | 75 | 31.6 Ų | 31.6 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.3 | -46.4 | -173.2 | -176.1 | 63.4 | 0 | 0 | 0 | 113.1 | T203 F207 G247 K252 Y253 | T203-L249 HydrophobicContact CG2-CD2 4.27Å; F207-L249 HydrophobicContact CZ-CD2 4.25Å; F207-L249 HydrophobicContact CZ-CG 4.4Å; G247-L249 VanDerWaalsContact C-N 3.3Å; G247-L249 PolarHBondContact O-N 3.12Å; L249-K252 PolarHBondContact O-N 3.5Å; L249-Y253 HydrophobicContact CD1-CD2 4.04Å; L249-Y253 HydrophobicContact CD1-CE2 3.63Å; L249-Y253 WeakPolarHBondContact O-CD2 3.31Å; L249-Y253 PolarHBondContact O-N 3.34Å |
| 250 | T | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.8 | -44.9 | 179.8 | 54.5 | 0 | 0 | 0 | 0 | 111.2 | T203 G245 D246 G247 K252 Y253 S254 | T203-T250 HydrophobicContact CG2-CG2 4.43Å; T203-T250 VanDerWaalsContact OG1-CG2 3.3Å; T203-T250 WeakPolarHBondContact OG1-CG2 3.42Å; G245-T250 VanDerWaalsContact C-OG1 3.31Å; D246-T250 PolarHBondContact N-OG1 3.11Å; D246-T250 WeakPolarHBondContact O-CB 3.41Å; D246-T250 VanDerWaalsContact O-CG2 3.26Å; D246-T250 WeakPolarHBondContact O-CG2 3.5Å; D246-T250 PolarHBondContact O-OG1 3.4Å; G247-T250 PolarHBondContact O-OG1 3.45Å; T250-K252 PolarHBondContact O-N 2.95Å; T250-Y253 PolarHBondContact O-N 2.83Å; T250-S254 VanDerWaalsContact O-CB 3.32Å; T250-S254 WeakPolarHBondContact O-CB 3.45Å; T250-S254 PolarHBondContact O-N 3.35Å |
| 251 | R | 93.1 | Very high | 92.2 | Very high | 48 Ų | 48 | 29.6 Ų | 29.6 | 18% | 0.181 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 175.5 | -65.4 | -175.5 | -164.5 | 116.9 | 21.8 | 111.9 | L242 G245 Y253 S254 V255 S295 | L242-R251 WeakPolarHBondContact O-CG 3.48Å; G245-R251 PolarHBondContact O-NH2 3.44Å; R251-Y253 PolarHBondContact O-N 3.14Å; R251-S254 PolarHBondContact O-N 3.16Å; R251-V255 VanDerWaalsContact O-CB 3.3Å; R251-V255 WeakPolarHBondContact O-CB 3.5Å; R251-V255 VanDerWaalsContact O-CG2 3.29Å; R251-V255 WeakPolarHBondContact O-CG2 3.44Å; R251-V255 PolarHBondContact O-N 3.36Å; R251-S295 VanDerWaalsContact CD-OG 3.26Å; R251-S295 WeakPolarHBondContact CD-OG 3.13Å; R251-S295 PolarHBondContact NH1-OG 2.86Å |
| 252 | K | 92.7 | Very high | 92.2 | Very high | 53 Ų | 53 | 30.2 Ų | 30.2 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -53.8 | -51.5 | 179.6 | -171 | 172.5 | 79.8 | 153.5 | 0 | 111.9 | Y129 T248 L249 T250 D256 K298 | Y129-K252 HydrophobicContact CD1-CD 4.43Å; Y129-K252 HydrophobicContact CE1-CD 3.66Å; Y129-K252 HydrophobicContact CE1-CG 4.33Å; Y129-K252 HydrophobicContact CE2-CD 3.86Å; Y129-K252 VanDerWaalsContact CE2-CE 3.41Å; Y129-K252 HydrophobicContact CE2-CG 3.93Å; Y129-K252 VanDerWaalsContact CG-NZ 3.27Å; Y129-K252 VanDerWaalsContact CZ-CE 3.4Å; Y129-K252 WeakPolarHBondContact OH-CD 3.47Å; Y129-K252 WeakPolarHBondContact OH-CG 3.1Å; T248-K252 VanDerWaalsContact O-CB 3.3Å; T248-K252 WeakPolarHBondContact O-CB 3.44Å; T248-K252 PolarHBondContact O-N 3.09Å; L249-K252 PolarHBondContact O-N 3.5Å; T250-K252 PolarHBondContact O-N 2.95Å; K252-D256 WeakPolarHBondContact O-CB 3.44Å; K252-D256 PolarHBondContact O-N 2.98Å; K252-D256 VanDerWaalsContact O-OD2 3.09Å; K252-K298 HydrophobicContact CB-CG 4.45Å; K252-K298 HydrophobicContact CG-CD 4.15Å; K252-K298 HydrophobicContact CG-CG 4.17Å |
| 253 | Y | 95.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.6 | -33.1 | 178.7 | -76.2 | -110.3 | 0 | 0 | 0 | 113 | Q125 Y129 A167 N168 F207 L249 T250 R251 D256 L257 | Q125-Y253 WeakPolarHBondContact CG-OH 3.43Å; Q125-Y253 PolarHBondContact NE2-OH 3.18Å; Y129-Y253 HydrophobicContact CD2-CE2 4.14Å; Y129-Y253 HydrophobicContact CE2-CE2 4.31Å; A167-Y253 HydrophobicContact CB-CE1 4.23Å; N168-Y253 PolarHBondContact ND2-OH 2.87Å; N168-Y253 WeakPolarHBondContact OD1-CE1 3.42Å; N168-Y253 PolarHBondContact OD1-OH 3.45Å; F207-Y253 AromaticContact CD1-CD1 3.64Å; F207-Y253 HydrophobicContact CD1-CD1 3.64Å; F207-Y253 AromaticContact CD1-CE1 3.86Å; F207-Y253 HydrophobicContact CD1-CE1 3.86Å; F207-Y253 AromaticContact CD1-CG 3.98Å; F207-Y253 HydrophobicContact CD1-CG 3.98Å; F207-Y253 AromaticContact CE1-CD1 3.64Å; F207-Y253 HydrophobicContact CE1-CD1 3.64Å; F207-Y253 AromaticContact CE1-CD2 3.74Å; F207-Y253 HydrophobicContact CE1-CD2 3.74Å; F207-Y253 AromaticContact CE1-CE1 3.69Å; F207-Y253 HydrophobicContact CE1-CE1 3.69Å; F207-Y253 AromaticContact CE1-CE2 3.8Å; F207-Y253 HydrophobicContact CE1-CE2 3.8Å; F207-Y253 AromaticContact CE1-CG 3.66Å; F207-Y253 HydrophobicContact CE1-CG 3.66Å; F207-Y253 AromaticContact CE1-CZ 3.75Å; F207-Y253 HydrophobicContact CZ-CE2 4.48Å; L249-Y253 HydrophobicContact CD1-CD2 4.04Å; L249-Y253 HydrophobicContact CD1-CE2 3.63Å; L249-Y253 WeakPolarHBondContact O-CD2 3.31Å; L249-Y253 PolarHBondContact O-N 3.34Å; T250-Y253 PolarHBondContact O-N 2.83Å; R251-Y253 PolarHBondContact O-N 3.14Å; Y253-D256 PolarHBondContact O-N 3.32Å; Y253-L257 WeakPolarHBondContact O-CB 3.43Å; Y253-L257 PolarHBondContact O-N 3.45Å |
| 254 | S | 96.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.5 | -39.2 | 177.6 | -160.7 | 0 | 0 | 0 | 0 | 112.2 | I238 T250 R251 L258 | I238-S254 PolarHBondContact O-OG 2.82Å; I238-S254 VanDerWaalsContact O-OG 3.14Å; T250-S254 VanDerWaalsContact O-CB 3.32Å; T250-S254 WeakPolarHBondContact O-CB 3.45Å; T250-S254 PolarHBondContact O-N 3.35Å; R251-S254 PolarHBondContact O-N 3.16Å; S254-L258 WeakPolarHBondContact O-CB 3.27Å; S254-L258 PolarHBondContact O-N 3.08Å |
| 255 | V | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -55.8 | 169.8 | 162.6 | 0 | 0 | 0 | 0 | 110.3 | L242 R251 L257 L258 M259 K298 L302 | L242-V255 HydrophobicContact CD1-CG2 3.69Å; R251-V255 VanDerWaalsContact O-CB 3.3Å; R251-V255 WeakPolarHBondContact O-CB 3.5Å; R251-V255 VanDerWaalsContact O-CG2 3.29Å; R251-V255 WeakPolarHBondContact O-CG2 3.44Å; R251-V255 PolarHBondContact O-N 3.36Å; V255-L257 PolarHBondContact O-N 3.24Å; V255-L258 PolarHBondContact O-N 3.31Å; V255-L258 VanDerWaalsContact O-N 3.08Å; V255-M259 HydrophobicContact CG1-CG 4.14Å; V255-M259 HydrophobicContact CG1-SD 3.51Å; V255-M259 VanDerWaalsContact CG1-SD 3.51Å; V255-M259 WeakPolarHBondContact O-CB 3.26Å; V255-M259 VanDerWaalsContact O-CG 3.25Å; V255-M259 WeakPolarHBondContact O-CG 3.43Å; V255-M259 PolarHBondContact O-N 3.03Å; V255-K298 HydrophobicContact CB-CB 4.37Å; V255-K298 HydrophobicContact CB-CD 4.28Å; V255-K298 HydrophobicContact CG1-CB 4.24Å; V255-K298 HydrophobicContact CG1-CD 3.77Å; V255-K298 VanDerWaalsContact CG1-O 3.29Å; V255-K298 WeakPolarHBondContact CG1-O 3.42Å; V255-K298 HydrophobicContact CG2-CB 4.2Å; V255-K298 WeakPolarHBondContact CG2-O 3.41Å; V255-L302 HydrophobicContact CG1-CB 4.13Å; V255-L302 HydrophobicContact CG2-CB 4.12Å; V255-L302 HydrophobicContact CG2-CD2 4.24Å |
| 256 | D | 95.9 | Very high | 92.4 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.3 | -37.9 | -178.2 | -75.9 | -33.5 | 0 | 0 | 0 | 112.4 | Y129 R171 K252 Y253 D260 K298 | Y129-D256 WeakPolarHBondContact CE2-OD2 3.32Å; Y129-D256 PolarHBondContact OH-OD1 2.88Å; Y129-D256 PolarHBondContact OH-OD2 2.93Å; R171-D256 PolarHBondContact NH2-O 2.63Å; R171-D256 IonicContact NH2-OD1 2.87Å; K252-D256 WeakPolarHBondContact O-CB 3.44Å; K252-D256 PolarHBondContact O-N 2.98Å; K252-D256 VanDerWaalsContact O-OD2 3.09Å; Y253-D256 PolarHBondContact O-N 3.32Å; D256-D260 WeakPolarHBondContact O-CB 3.4Å; D256-D260 VanDerWaalsContact O-CG 3.23Å; D256-D260 PolarHBondContact O-N 3.17Å; D256-D260 VanDerWaalsContact O-N 3.14Å; D256-K298 IonicContact OD1-NZ 2.99Å; D256-K298 PolarHBondContact OD1-NZ 3Å; D256-K298 IonicContact OD2-NZ 3.95Å |
| 257 | L | 96.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -50.4 | 173.4 | 168 | 60.6 | 0 | 0 | 0 | 111.9 | L209 S213 I238 Y253 V255 D260 L261 | L209-L257 HydrophobicContact CB-CD2 4.2Å; L209-L257 HydrophobicContact CD2-CD2 3.81Å; L209-L257 HydrophobicContact CG-CD2 3.82Å; S213-L257 VanDerWaalsContact CB-CD1 3.47Å; I238-L257 HydrophobicContact CD1-CD2 4.08Å; I238-L257 HydrophobicContact CD1-CG 4.29Å; I238-L257 HydrophobicContact CG1-CD2 4.01Å; Y253-L257 WeakPolarHBondContact O-CB 3.43Å; Y253-L257 PolarHBondContact O-N 3.45Å; V255-L257 PolarHBondContact O-N 3.24Å; L257-D260 PolarHBondContact O-N 3.41Å; L257-L261 HydrophobicContact CD1-CD1 3.96Å; L257-L261 HydrophobicContact CD1-CG 4.13Å; L257-L261 HydrophobicContact CG-CD1 4.21Å; L257-L261 WeakPolarHBondContact O-CG 3.47Å; L257-L261 PolarHBondContact O-N 3.5Å |
| 258 | L | 97.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.3 | -38.8 | -178.1 | -172.9 | 52 | 0 | 0 | 0 | 111.5 | I238 F239 S254 V255 D260 L261 L262 L271 L302 F306 | I238-L258 HydrophobicContact CG2-CB 4.09Å; I238-L258 HydrophobicContact CG2-CD1 4.42Å; I238-L258 HydrophobicContact CG2-CD2 4.06Å; I238-L258 HydrophobicContact CG2-CG 4.42Å; F239-L258 HydrophobicContact CE1-CD2 4Å; F239-L258 HydrophobicContact CZ-CD2 4.07Å; S254-L258 WeakPolarHBondContact O-CB 3.27Å; S254-L258 PolarHBondContact O-N 3.08Å; V255-L258 PolarHBondContact O-N 3.31Å; V255-L258 VanDerWaalsContact O-N 3.08Å; L258-D260 VanDerWaalsContact C-N 3.3Å; L258-D260 PolarHBondContact O-N 3Å; L258-L261 PolarHBondContact O-N 2.91Å; L258-L262 VanDerWaalsContact O-CG 3.29Å; L258-L262 WeakPolarHBondContact O-CG 3.36Å; L258-L262 PolarHBondContact O-N 2.72Å; L258-L271 HydrophobicContact CD1-CD2 4.47Å; L258-L302 HydrophobicContact CB-CD1 4.12Å; L258-L302 HydrophobicContact CD2-CD1 3.8Å; L258-L302 HydrophobicContact CD2-CD2 4.06Å; L258-L302 HydrophobicContact CG-CD1 3.88Å; L258-F306 HydrophobicContact CD2-CE1 4.13Å; L258-F306 HydrophobicContact CD2-CZ 4.05Å; L258-F306 HydrophobicContact CG-CE1 4.5Å |
| 259 | M | 96.6 | Very high | 94.7 | Very high | 42 Ų | 42 | 36.6 Ų | 36.6 | 21% | 0.207 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -36.5 | 171.7 | -67.9 | 176.4 | 79.9 | 0 | 0 | 112.5 | V255 K263 E301 L302 A305 | V255-M259 HydrophobicContact CG1-CG 4.14Å; V255-M259 HydrophobicContact CG1-SD 3.51Å; V255-M259 VanDerWaalsContact CG1-SD 3.51Å; V255-M259 WeakPolarHBondContact O-CB 3.26Å; V255-M259 VanDerWaalsContact O-CG 3.25Å; V255-M259 WeakPolarHBondContact O-CG 3.43Å; V255-M259 PolarHBondContact O-N 3.03Å; M259-K263 WeakPolarHBondContact O-CG 3.32Å; M259-E301 HydrophobicContact CE-CB 4.04Å; M259-E301 HydrophobicContact SD-CB 4.05Å; M259-L302 HydrophobicContact CG-CD1 4.29Å; M259-A305 HydrophobicContact CB-CB 4.42Å; M259-A305 HydrophobicContact CE-CB 4.22Å; M259-A305 HydrophobicContact CG-CB 3.76Å |
| 260 | D | 94.9 | Very high | 95 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 13% | 0.128 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -75.9 | -32.8 | 176.1 | -72.9 | -22.2 | 0 | 0 | 0 | 113.1 | R171 H172 D256 L257 L258 K263 | R171-D260 IonicContact CZ-OD2 2.72Å; R171-D260 IonicContact NE-OD2 3.11Å; R171-D260 PolarHBondContact NE-OD2 3.4Å; R171-D260 IonicContact NH2-OD1 2.68Å; R171-D260 PolarHBondContact NH2-OD1 3.08Å; R171-D260 IonicContact NH2-OD2 2.6Å; R171-D260 PolarHBondContact NH2-OD2 2.94Å; H172-D260 VanDerWaalsContact CE1-CG 3.44Å; H172-D260 IonicContact CE1-OD1 3.74Å; H172-D260 PolarHBondContact CE1-OD1 2.91Å; H172-D260 IonicContact CE1-OD2 2.79Å; H172-D260 PolarHBondContact CE1-OD2 2.91Å; H172-D260 IonicContact NE2-OD1 2.86Å; H172-D260 PolarHBondContact NE2-OD1 3.45Å; H172-D260 IonicContact NE2-OD2 2.86Å; H172-D260 PolarHBondContact NE2-OD2 3.32Å; D256-D260 WeakPolarHBondContact O-CB 3.4Å; D256-D260 VanDerWaalsContact O-CG 3.23Å; D256-D260 PolarHBondContact O-N 3.17Å; D256-D260 VanDerWaalsContact O-N 3.14Å; L257-D260 PolarHBondContact O-N 3.41Å; L258-D260 VanDerWaalsContact C-N 3.3Å; L258-D260 PolarHBondContact O-N 3Å; D260-K263 WeakPolarHBondContact O-CB 3.31Å; D260-K263 PolarHBondContact O-N 3.4Å; D260-K263 IonicContact OD1-NZ 2.64Å; D260-K263 PolarHBondContact OD1-NZ 3.43Å |
| 261 | L | 95.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.2 | -37.6 | 172.8 | -70.9 | 172.9 | 0 | 0 | 0 | 112 | L217 F226 I238 L257 L258 K263 N264 I267 | L217-L261 HydrophobicContact CD1-CD2 3.62Å; F226-L261 HydrophobicContact CD1-CD2 4.06Å; F226-L261 HydrophobicContact CE1-CD1 4.48Å; F226-L261 HydrophobicContact CE1-CD2 3.7Å; F226-L261 HydrophobicContact CZ-CD2 4.37Å; I238-L261 HydrophobicContact CD1-CD1 3.51Å; L257-L261 HydrophobicContact CD1-CD1 3.96Å; L257-L261 HydrophobicContact CD1-CG 4.13Å; L257-L261 HydrophobicContact CG-CD1 4.21Å; L257-L261 WeakPolarHBondContact O-CG 3.47Å; L257-L261 PolarHBondContact O-N 3.5Å; L258-L261 PolarHBondContact O-N 2.91Å; L261-K263 PolarHBondContact O-N 3.08Å; L261-N264 WeakPolarHBondContact O-CB 3.37Å; L261-N264 PolarHBondContact O-N 3.49Å; L261-I267 HydrophobicContact CB-CG2 4.17Å; L261-I267 HydrophobicContact CD2-CD1 3.91Å |
| 262 | L | 95.9 | Very high | 95.3 | Very high | 13 Ų | 13 | 35.5 Ų | 35.5 | 7% | 0.068 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -25.3 | 176.2 | -73.9 | 168.4 | 0 | 0 | 0 | 113.4 | L258 N264 A268 L271 L302 A305 F306 V309 L312 | L258-L262 VanDerWaalsContact O-CG 3.29Å; L258-L262 WeakPolarHBondContact O-CG 3.36Å; L258-L262 PolarHBondContact O-N 2.72Å; L262-N264 PolarHBondContact O-N 3.1Å; L262-A268 HydrophobicContact CD2-CB 4.29Å; L262-L271 HydrophobicContact CD2-CD2 3.9Å; L262-L302 HydrophobicContact CD1-CD1 4.47Å; L262-A305 HydrophobicContact CD1-CB 3.91Å; L262-F306 HydrophobicContact CD1-CD1 3.75Å; L262-F306 HydrophobicContact CD1-CE1 3.95Å; L262-V309 HydrophobicContact CD2-CG2 4.3Å; L262-L312 HydrophobicContact CD2-CD1 3.89Å |
| 263 | K | 93.6 | Very high | 95.3 | Very high | 139 Ų | 139 | 40.5 Ų | 40.5 | 60% | 0.604 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -12.5 | 173 | -64.6 | 167.7 | -169.7 | 167.6 | 0 | 113.3 | M259 D260 L261 P265 | M259-K263 WeakPolarHBondContact O-CG 3.32Å; D260-K263 WeakPolarHBondContact O-CB 3.31Å; D260-K263 PolarHBondContact O-N 3.4Å; D260-K263 IonicContact OD1-NZ 2.64Å; D260-K263 PolarHBondContact OD1-NZ 3.43Å; L261-K263 PolarHBondContact O-N 3.08Å; K263-P265 WeakPolarHBondContact O-CD 3.29Å |
| 264 | N | 93.3 | Very high | 95.4 | Very high | 24 Ų | 24 | 40.7 Ų | 40.7 | 13% | 0.128 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -94.7 | 110.6 | 170.8 | -173.1 | -29 | 0 | 0 | 0 | 109.4 | L261 L262 K266 I267 A268 | L261-N264 WeakPolarHBondContact O-CB 3.37Å; L261-N264 PolarHBondContact O-N 3.49Å; L262-N264 PolarHBondContact O-N 3.1Å; N264-K266 PolarHBondContact O-N 3.07Å; N264-K266 WeakPolarHBondContact OD1-CB 3.38Å; N264-K266 PolarHBondContact OD1-N 3.44Å; N264-I267 HydrophobicContact CB-CB 4.4Å; N264-I267 HydrophobicContact CB-CD1 4.24Å; N264-I267 HydrophobicContact CB-CG1 4.24Å; N264-I267 PolarHBondContact O-N 3.43Å; N264-A268 PolarHBondContact O-N 3.11Å; N264-A268 VanDerWaalsContact O-N 3.1Å |
| 265 | P | 93.4 | Very high | 95.2 | Very high | 103 Ų | 103 | 48.9 Ų | 48.9 | 67% | 0.669 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -56.7 | -30.1 | -174.8 | -27.8 | 35.9 | 0 | 0 | 0 | 114.2 | K263 I267 D269 | K263-P265 WeakPolarHBondContact O-CD 3.29Å; P265-I267 VanDerWaalsContact C-N 3.34Å; P265-I267 PolarHBondContact O-N 3.12Å; P265-D269 WeakPolarHBondContact O-CB 3.42Å; P265-D269 PolarHBondContact O-N 3Å |
| 266 | K | 92.8 | Very high | 95.1 | Very high | 139 Ų | 139 | 52.9 Ų | 52.9 | 60% | 0.604 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.2 | -37.9 | 176.5 | -62.4 | 179.1 | 179.9 | 176.9 | 0 | 112.1 | N264 Y270 | N264-K266 PolarHBondContact O-N 3.07Å; N264-K266 WeakPolarHBondContact OD1-CB 3.38Å; N264-K266 PolarHBondContact OD1-N 3.44Å; K266-Y270 VanDerWaalsContact O-CD1 3.3Å; K266-Y270 WeakPolarHBondContact O-CD1 3.45Å; K266-Y270 WeakPolarHBondContact O-CD2 3.37Å; K266-Y270 PolarHBondContact O-N 3.39Å |
| 267 | I | 95.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -83 | -34 | -176.5 | -57.1 | -178.5 | 0 | 0 | 0 | 110.3 | L217 F226 I231 F235 L261 N264 P265 D269 Y270 L271 | L217-I267 HydrophobicContact CD1-CD1 3.49Å; L217-I267 VanDerWaalsContact CD1-CD1 3.49Å; F226-I267 HydrophobicContact CB-CD1 4.15Å; F226-I267 HydrophobicContact CD1-CD1 4.17Å; F226-I267 HydrophobicContact CG-CD1 4.34Å; I231-I267 HydrophobicContact CD1-CG2 3.95Å; I231-I267 HydrophobicContact CG1-CG2 4.47Å; F235-I267 HydrophobicContact CE1-CG2 3.81Å; F235-I267 HydrophobicContact CZ-CG2 3.79Å; L261-I267 HydrophobicContact CB-CG2 4.17Å; L261-I267 HydrophobicContact CD2-CD1 3.91Å; N264-I267 HydrophobicContact CB-CB 4.4Å; N264-I267 HydrophobicContact CB-CD1 4.24Å; N264-I267 HydrophobicContact CB-CG1 4.24Å; N264-I267 PolarHBondContact O-N 3.43Å; P265-I267 VanDerWaalsContact C-N 3.34Å; P265-I267 PolarHBondContact O-N 3.12Å; I267-D269 VanDerWaalsContact C-N 3.34Å; I267-Y270 PolarHBondContact O-N 3.49Å; I267-L271 PolarHBondContact O-N 3.33Å |
| 268 | A | 95.8 | Very high | 95 | Very high | 6 Ų | 6 | 56 Ų | 56 | 5% | 0.05 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.4 | -48.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L262 N264 Y270 L271 T272 V309 | L262-A268 HydrophobicContact CD2-CB 4.29Å; N264-A268 PolarHBondContact O-N 3.11Å; N264-A268 VanDerWaalsContact O-N 3.1Å; A268-Y270 VanDerWaalsContact C-N 3.27Å; A268-Y270 PolarHBondContact O-N 3.07Å; A268-L271 PolarHBondContact O-N 3.17Å; A268-T272 PolarHBondContact O-N 3.42Å; A268-V309 HydrophobicContact CB-CG1 4.22Å; A268-V309 HydrophobicContact CB-CG2 3.87Å |
| 269 | D | 95.1 | Very high | 94.8 | Very high | 76 Ų | 76 | 59.4 Ų | 59.4 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -69.8 | -15.6 | 176.1 | 173.9 | 62.8 | 0 | 0 | 0 | 114.6 | P265 I267 T272 R273 | P265-D269 WeakPolarHBondContact O-CB 3.42Å; P265-D269 PolarHBondContact O-N 3Å; I267-D269 VanDerWaalsContact C-N 3.34Å; D269-T272 PolarHBondContact O-OG1 2.86Å; D269-T272 VanDerWaalsContact O-OG1 3.07Å; D269-R273 PolarHBondContact O-NE 3.24Å; D269-R273 IonicContact OD1-NE 2.6Å; D269-R273 IonicContact OD1-NH2 2.67Å; D269-R273 IonicContact OD2-CZ 2.77Å; D269-R273 IonicContact OD2-NE 2.66Å; D269-R273 IonicContact OD2-NH2 3.75Å; D269-R273 PolarHBondContact OD2-NH2 3.17Å |
| 270 | Y | 95.5 | Very high | 94.8 | Very high | 54 Ų | 54 | 58 Ų | 58 | 21% | 0.212 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -82 | -32 | 165.8 | -61.9 | -21.1 | 0 | 0 | 0 | 111.9 | A228 I231 K266 I267 A268 R273 Y274 | A228-Y270 HydrophobicContact CB-CD1 4.33Å; A228-Y270 HydrophobicContact CB-CE1 3.76Å; A228-Y270 HydrophobicContact CB-CE2 4.08Å; I231-Y270 HydrophobicContact CB-CD2 4.26Å; I231-Y270 HydrophobicContact CG1-CD2 4.17Å; I231-Y270 HydrophobicContact CG2-CD2 3.9Å; I231-Y270 HydrophobicContact CG2-CG 4.1Å; K266-Y270 VanDerWaalsContact O-CD1 3.3Å; K266-Y270 WeakPolarHBondContact O-CD1 3.45Å; K266-Y270 WeakPolarHBondContact O-CD2 3.37Å; K266-Y270 PolarHBondContact O-N 3.39Å; I267-Y270 PolarHBondContact O-N 3.49Å; A268-Y270 VanDerWaalsContact C-N 3.27Å; A268-Y270 PolarHBondContact O-N 3.07Å; Y270-R273 CarbonylContact O-C 3.6Å; Y270-R273 PolarHBondContact O-N 2.86Å; Y270-Y274 PolarHBondContact O-N 3.03Å |
| 271 | L | 96.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -74 | -36.3 | 179.3 | -171.4 | 62.4 | 0 | 0 | 0 | 112.4 | F235 F239 L258 L262 I267 A268 R273 Y274 F277 F306 L312 | F235-L271 HydrophobicContact CD1-CD1 3.95Å; F235-L271 HydrophobicContact CD2-CD1 3.98Å; F235-L271 HydrophobicContact CE1-CB 4.19Å; F235-L271 HydrophobicContact CE1-CD1 4Å; F235-L271 HydrophobicContact CE2-CB 4.06Å; F235-L271 HydrophobicContact CE2-CD1 4.01Å; F235-L271 HydrophobicContact CG-CD1 3.95Å; F235-L271 HydrophobicContact CZ-CB 3.69Å; F235-L271 HydrophobicContact CZ-CD1 4.02Å; F235-L271 HydrophobicContact CZ-CG 4.42Å; F239-L271 HydrophobicContact CE2-CD1 3.85Å; F239-L271 HydrophobicContact CZ-CD1 4.15Å; L258-L271 HydrophobicContact CD1-CD2 4.47Å; L262-L271 HydrophobicContact CD2-CD2 3.9Å; I267-L271 PolarHBondContact O-N 3.33Å; A268-L271 PolarHBondContact O-N 3.17Å; L271-R273 PolarHBondContact O-N 2.84Å; L271-R273 VanDerWaalsContact O-N 3.15Å; L271-Y274 HydrophobicContact CD1-CD1 4.07Å; L271-Y274 HydrophobicContact CD1-CG 4.42Å; L271-Y274 WeakPolarHBondContact O-CB 3.32Å; L271-Y274 PolarHBondContact O-N 3.05Å; L271-Y274 VanDerWaalsContact O-N 3.13Å; L271-F277 HydrophobicContact CD1-CD2 3.83Å; L271-F277 HydrophobicContact CD1-CE2 4.4Å; L271-F277 HydrophobicContact CD2-CD2 4.29Å; L271-F277 HydrophobicContact CD2-CE2 4.05Å; L271-F277 HydrophobicContact CG-CD2 3.9Å; L271-F277 HydrophobicContact CG-CE2 4.13Å; L271-F306 HydrophobicContact CD2-CD1 4.37Å; L271-F306 HydrophobicContact CD2-CE1 3.83Å; L271-L312 HydrophobicContact CD2-CD1 3.88Å; L271-L312 HydrophobicContact CG-CD1 4.36Å; L271-L312 HydrophobicContact CG-CD2 4.4Å |
| 272 | T | 94.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 61.5 Ų | 61.5 | 28% | 0.282 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -23.3 | 172.7 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | A268 D269 V309 Q311 L312 | A268-T272 PolarHBondContact O-N 3.42Å; D269-T272 PolarHBondContact O-OG1 2.86Å; D269-T272 VanDerWaalsContact O-OG1 3.07Å; T272-V309 HydrophobicContact CG2-CG1 4.08Å; T272-Q311 HydrophobicContact CG2-CB 3.76Å; T272-L312 HydrophobicContact CG2-CD2 3.62Å; T272-L312 HydrophobicContact CG2-CG 3.87Å |
| 273 | R | 94.3 | Very high | 94.6 | Very high | 157 Ų | 157 | 64.9 Ų | 64.9 | 59% | 0.592 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.8 | 8.9 | -179 | -62.2 | -175.5 | -74.6 | 156.9 | -8.4 | 113.4 | D269 Y270 L271 E275 | D269-R273 PolarHBondContact O-NE 3.24Å; D269-R273 IonicContact OD1-NE 2.6Å; D269-R273 IonicContact OD1-NH2 2.67Å; D269-R273 IonicContact OD2-CZ 2.77Å; D269-R273 IonicContact OD2-NE 2.66Å; D269-R273 IonicContact OD2-NH2 3.75Å; D269-R273 PolarHBondContact OD2-NH2 3.17Å; Y270-R273 CarbonylContact O-C 3.6Å; Y270-R273 PolarHBondContact O-N 2.86Å; L271-R273 PolarHBondContact O-N 2.84Å; L271-R273 VanDerWaalsContact O-N 3.15Å; R273-E275 PolarHBondContact O-N 2.82Å |
| 274 | Y | 96.5 | Very high | 94.6 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | trans | -80.4 | 112 | 178.1 | 175.6 | -119.3 | 0 | 0 | 0 | 110.4 | H232 F235 Q236 F239 Y270 L271 H276 F277 | H232-Y274 HydrophobicContact CB-CE2 4.49Å; H232-Y274 AromaticContact CD2-CD2 3.64Å; H232-Y274 AromaticContact CD2-CE2 3.58Å; H232-Y274 AromaticContact CE1-CE2 3.74Å; H232-Y274 AromaticContact CG-CE2 3.76Å; H232-Y274 AromaticContact ND1-CE2 3.86Å; H232-Y274 AromaticContact NE2-CD2 3.96Å; H232-Y274 AromaticContact NE2-CE2 3.56Å; F235-Y274 HydrophobicContact CB-CD1 4.25Å; F235-Y274 HydrophobicContact CB-CD2 4.15Å; F235-Y274 HydrophobicContact CB-CE1 4.05Å; F235-Y274 HydrophobicContact CB-CE2 3.93Å; F235-Y274 HydrophobicContact CB-CG 4.32Å; F235-Y274 HydrophobicContact CD2-CD1 4.44Å; F235-Y274 AromaticContact CD2-CD2 3.87Å; F235-Y274 HydrophobicContact CD2-CD2 3.87Å; F235-Y274 HydrophobicContact CD2-CE2 4.46Å; F235-Y274 AromaticContact CD2-CG 3.87Å; F235-Y274 HydrophobicContact CD2-CG 3.87Å; F235-Y274 HydrophobicContact CG-CG 4.49Å; Q236-Y274 WeakPolarHBondContact CA-OH 3.37Å; Q236-Y274 PolarHBondContact N-OH 3.42Å; F239-Y274 AromaticContact CD2-CE1 3.91Å; F239-Y274 HydrophobicContact CD2-CE1 3.91Å; F239-Y274 HydrophobicContact CE2-CD1 4.21Å; F239-Y274 AromaticContact CE2-CE1 3.93Å; F239-Y274 HydrophobicContact CE2-CE1 3.93Å; Y270-Y274 PolarHBondContact O-N 3.03Å; L271-Y274 HydrophobicContact CD1-CD1 4.07Å; L271-Y274 HydrophobicContact CD1-CG 4.42Å; L271-Y274 WeakPolarHBondContact O-CB 3.32Å; L271-Y274 PolarHBondContact O-N 3.05Å; L271-Y274 VanDerWaalsContact O-N 3.13Å; Y274-H276 HydrophobicContact CD1-CB 4.46Å; Y274-H276 HydrophobicContact CE1-CB 3.79Å; Y274-H276 HydrophobicContact CE2-CB 4.47Å; Y274-H276 PolarHBondContact O-N 2.99Å; Y274-F277 HydrophobicContact CD1-CB 3.96Å; Y274-F277 VanDerWaalsContact O-CB 3.26Å; Y274-F277 WeakPolarHBondContact O-CB 3.38Å; Y274-F277 PolarHBondContact O-N 3.21Å | ||
| 275 | E | 93.1 | Very high | 94.6 | Very high | 171 Ų | 171 | 57.2 Ų | 57.2 | 80% | 0.799 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -30.6 | -170.7 | -61.7 | -175.5 | 179 | 0 | 0 | 114.4 | R273 | R273-E275 PolarHBondContact O-N 2.82Š|
| 276 | H | 94.9 | Very high | 94.5 | Very high | 85 Ų | 85 | 54.1 Ų | 54.1 | 39% | 0.394 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -0.3 | 179.5 | -56.5 | -31.9 | 0 | 0 | 0 | 114.2 | H232 Y274 S278 S279 C280 | H232-H276 AromaticContact CE1-CD2 3.82Å; H232-H276 AromaticContact CE1-NE2 3.95Å; H232-H276 AromaticContact NE2-CD2 3.91Å; Y274-H276 HydrophobicContact CD1-CB 4.46Å; Y274-H276 HydrophobicContact CE1-CB 3.79Å; Y274-H276 HydrophobicContact CE2-CB 4.47Å; Y274-H276 PolarHBondContact O-N 2.99Å; H276-S278 PolarHBondContact O-N 3.01Å; H276-S279 WeakPolarHBondContact O-CB 3.29Å; H276-S279 PolarHBondContact O-N 3.49Å; H276-C280 PolarHBondContact O-N 2.79Å; H276-C280 PolarHBondContact O-SG 2.85Å |
| 277 | F | 96.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.039 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.9 | -46.8 | -173.5 | 178.9 | -109.7 | 0 | 0 | 0 | 112.9 | F239 L271 Y274 S279 C280 L281 F306 L312 V315 | F239-F277 HydrophobicContact CE2-CD2 4.46Å; F239-F277 HydrophobicContact CZ-CD2 4.03Å; F239-F277 HydrophobicContact CZ-CE2 4.19Å; L271-F277 HydrophobicContact CD1-CD2 3.83Å; L271-F277 HydrophobicContact CD1-CE2 4.4Å; L271-F277 HydrophobicContact CD2-CD2 4.29Å; L271-F277 HydrophobicContact CD2-CE2 4.05Å; L271-F277 HydrophobicContact CG-CD2 3.9Å; L271-F277 HydrophobicContact CG-CE2 4.13Å; Y274-F277 HydrophobicContact CD1-CB 3.96Å; Y274-F277 VanDerWaalsContact O-CB 3.26Å; Y274-F277 WeakPolarHBondContact O-CB 3.38Å; Y274-F277 PolarHBondContact O-N 3.21Å; F277-S279 PolarHBondContact O-N 3.36Å; F277-C280 PolarHBondContact O-N 3.18Å; F277-L281 HydrophobicContact CE1-CD2 3.92Å; F277-L281 HydrophobicContact CZ-CB 4.39Å; F277-L281 HydrophobicContact CZ-CD1 4.31Å; F277-L281 HydrophobicContact CZ-CD2 4.07Å; F277-L281 WeakPolarHBondContact O-CB 3.47Å; F277-L281 PolarHBondContact O-N 3.35Å; F277-F306 HydrophobicContact CE2-CD1 4.43Å; F277-F306 HydrophobicContact CE2-CE1 4.07Å; F277-F306 HydrophobicContact CE2-CE2 4.23Å; F277-F306 AromaticContact CE2-CZ 3.96Å; F277-F306 HydrophobicContact CE2-CZ 3.96Å; F277-F306 HydrophobicContact CZ-CD1 4.46Å; F277-F306 HydrophobicContact CZ-CD2 4.32Å; F277-F306 HydrophobicContact CZ-CE2 4.38Å; F277-F306 HydrophobicContact CZ-CG 4.38Å; F277-F306 HydrophobicContact CZ-CZ 4.48Å; F277-L312 HydrophobicContact CD1-CD2 4.12Å; F277-L312 HydrophobicContact CE1-CD2 3.69Å; F277-L312 HydrophobicContact CE2-CD2 4.29Å; F277-L312 HydrophobicContact CZ-CB 4.37Å; F277-L312 HydrophobicContact CZ-CD2 3.79Å; F277-L312 HydrophobicContact CZ-CG 4.48Å; F277-V315 HydrophobicContact CD1-CG1 4.08Å; F277-V315 HydrophobicContact CE1-CB 4.23Å; F277-V315 HydrophobicContact CE1-CG1 3.91Å |
| 278 | S | 93.8 | Very high | 94.2 | Very high | 66 Ų | 66 | 48.8 Ų | 48.8 | 46% | 0.462 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 177.8 | 175 | 0 | 0 | 0 | 0 | 112.5 | H276 L281 N282 M319 | H276-S278 PolarHBondContact O-N 3.01Å; S278-L281 PolarHBondContact O-N 3.14Å; S278-N282 PolarHBondContact O-N 2.92Å; S278-N282 VanDerWaalsContact O-N 3.08Å; S278-M319 WeakPolarHBondContact O-CE 3.21Å; S278-M319 VanDerWaalsContact OG-CE 3.28Å; S278-M319 WeakPolarHBondContact OG-CE 3.36Å |
| 279 | S | 93.9 | Very high | 93.8 | Very high | 72 Ų | 72 | 51.6 Ų | 51.6 | 50% | 0.503 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 176.4 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | H276 F277 Q283 | H276-S279 WeakPolarHBondContact O-CB 3.29Å; H276-S279 PolarHBondContact O-N 3.49Å; F277-S279 PolarHBondContact O-N 3.36Å; S279-Q283 WeakPolarHBondContact O-CG 3.49Å; S279-Q283 PolarHBondContact O-N 2.93Å; S279-Q283 PolarHBondContact O-NE2 2.64Å |
| 280 | C | 95.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 49.5 Ų | 49.5 | 8% | 0.081 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 174 | -67.3 | 0 | 0 | 0 | 0 | 111.4 | F239 H276 F277 N282 Q283 V284 | F239-C280 HydrophobicContact CB-CB 4.24Å; F239-C280 HydrophobicContact CD1-CB 3.75Å; F239-C280 HydrophobicContact CD2-CB 3.9Å; F239-C280 HydrophobicContact CE1-CB 4Å; F239-C280 HydrophobicContact CE2-CB 4.15Å; F239-C280 HydrophobicContact CG-CB 3.7Å; F239-C280 HydrophobicContact CZ-CB 4.2Å; H276-C280 PolarHBondContact O-N 2.79Å; H276-C280 PolarHBondContact O-SG 2.85Å; F277-C280 PolarHBondContact O-N 3.18Å; C280-N282 PolarHBondContact O-N 2.99Å; C280-Q283 WeakPolarHBondContact O-CA 3.36Å; C280-Q283 WeakPolarHBondContact O-CB 3.46Å; C280-Q283 PolarHBondContact O-N 3.08Å; C280-Q283 VanDerWaalsContact O-N 3.09Å; C280-V284 WeakPolarHBondContact O-CG2 3.44Å; C280-V284 PolarHBondContact O-N 3.13Å |
| 281 | L | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.4 | -43.6 | -177.9 | -175.4 | 63 | 0 | 0 | 0 | 112 | F277 S278 Q283 V284 L285 L303 F306 V315 L316 M319 | F277-L281 HydrophobicContact CE1-CD2 3.92Å; F277-L281 HydrophobicContact CZ-CB 4.39Å; F277-L281 HydrophobicContact CZ-CD1 4.31Å; F277-L281 HydrophobicContact CZ-CD2 4.07Å; F277-L281 WeakPolarHBondContact O-CB 3.47Å; F277-L281 PolarHBondContact O-N 3.35Å; S278-L281 PolarHBondContact O-N 3.14Å; L281-Q283 VanDerWaalsContact C-N 3.28Å; L281-Q283 PolarHBondContact O-N 3.45Å; L281-V284 WeakPolarHBondContact O-CB 3.43Å; L281-V284 PolarHBondContact O-N 3.47Å; L281-V284 VanDerWaalsContact O-N 3.1Å; L281-L285 HydrophobicContact CG-CD1 4.34Å; L281-L285 WeakPolarHBondContact O-CG 3.11Å; L281-L285 PolarHBondContact O-N 3.02Å; L281-L303 HydrophobicContact CD1-CD2 3.83Å; L281-F306 HydrophobicContact CD1-CD2 3.79Å; L281-F306 HydrophobicContact CD1-CE2 3.74Å; L281-V315 HydrophobicContact CD2-CG1 4.08Å; L281-L316 HydrophobicContact CD1-CD1 4.33Å; L281-L316 HydrophobicContact CD2-CB 4.09Å; L281-L316 HydrophobicContact CD2-CD1 4.26Å; L281-M319 HydrophobicContact CB-CE 4.32Å; L281-M319 HydrophobicContact CB-SD 4.2Å; L281-M319 HydrophobicContact CD2-CE 4.14Å; L281-M319 HydrophobicContact CD2-SD 4.08Å; L281-M319 HydrophobicContact CG-CE 4.45Å; L281-M319 HydrophobicContact CG-SD 3.98Å |
| 282 | N | 92.6 | Very high | 92 | Very high | 99 Ų | 99 | 58.6 Ų | 58.6 | 53% | 0.529 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.3 | -40 | 175.4 | -166 | -11.4 | 0 | 0 | 0 | 111.7 | S278 C280 L285 G286 M319 | S278-N282 PolarHBondContact O-N 2.92Å; S278-N282 VanDerWaalsContact O-N 3.08Å; C280-N282 PolarHBondContact O-N 2.99Å; N282-L285 PolarHBondContact O-N 3.19Å; N282-G286 PolarHBondContact O-N 3.18Å; N282-M319 HydrophobicContact CB-CE 4.47Å; N282-M319 HydrophobicContact CB-SD 3.79Å |
| 283 | Q | 92.9 | Very high | 91.6 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 40% | 0.397 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.6 | -37.4 | 173.8 | -69.9 | 168.5 | 84.4 | 0 | 0 | 112.8 | I243 S279 C280 L281 G286 L287 | I243-Q283 HydrophobicContact CD1-CB 3.64Å; I243-Q283 HydrophobicContact CG1-CB 4.12Å; I243-Q283 HydrophobicContact CG2-CB 4.21Å; S279-Q283 WeakPolarHBondContact O-CG 3.49Å; S279-Q283 PolarHBondContact O-N 2.93Å; S279-Q283 PolarHBondContact O-NE2 2.64Å; C280-Q283 WeakPolarHBondContact O-CA 3.36Å; C280-Q283 WeakPolarHBondContact O-CB 3.46Å; C280-Q283 PolarHBondContact O-N 3.08Å; C280-Q283 VanDerWaalsContact O-N 3.09Å; L281-Q283 VanDerWaalsContact C-N 3.28Å; L281-Q283 PolarHBondContact O-N 3.45Å; Q283-G286 PolarHBondContact O-N 3.02Å; Q283-L287 PolarHBondContact O-N 3.11Å |
| 284 | V | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 172.8 | 176.2 | 0 | 0 | 0 | 0 | 111 | F239 L242 C280 L281 G286 L287 V299 L302 L303 | F239-V284 HydrophobicContact CD1-CG2 4.3Å; F239-V284 HydrophobicContact CE1-CG2 4.31Å; L242-V284 HydrophobicContact CD2-CG1 4.41Å; L242-V284 HydrophobicContact CD2-CG2 3.7Å; C280-V284 WeakPolarHBondContact O-CG2 3.44Å; C280-V284 PolarHBondContact O-N 3.13Å; L281-V284 WeakPolarHBondContact O-CB 3.43Å; L281-V284 PolarHBondContact O-N 3.47Å; L281-V284 VanDerWaalsContact O-N 3.1Å; V284-G286 VanDerWaalsContact C-N 3.3Å; V284-G286 PolarHBondContact O-N 3.02Å; V284-L287 VanDerWaalsContact O-CB 3.28Å; V284-L287 WeakPolarHBondContact O-CB 3.44Å; V284-L287 PolarHBondContact O-N 3.23Å; V284-V299 HydrophobicContact CG1-CG1 3.87Å; V284-L302 HydrophobicContact CG1-CD2 4.45Å; V284-L303 HydrophobicContact CG1-CD2 4.35Å |
| 285 | L | 93.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 175 | -68 | 168.6 | 0 | 0 | 0 | 111.8 | L281 N282 L287 L288 L303 L316 M319 M320 P340 | L281-L285 HydrophobicContact CG-CD1 4.34Å; L281-L285 WeakPolarHBondContact O-CG 3.11Å; L281-L285 PolarHBondContact O-N 3.02Å; N282-L285 PolarHBondContact O-N 3.19Å; L285-L287 PolarHBondContact O-N 2.97Å; L285-L288 HydrophobicContact CD2-CD1 4.08Å; L285-L288 VanDerWaalsContact O-CB 3.29Å; L285-L288 WeakPolarHBondContact O-CB 3.29Å; L285-L288 PolarHBondContact O-N 2.85Å; L285-L303 HydrophobicContact CD2-CD1 3.8Å; L285-L303 HydrophobicContact CD2-CD2 3.81Å; L285-L303 HydrophobicContact CD2-CG 4.5Å; L285-L316 HydrophobicContact CD1-CD1 4.2Å; L285-L316 HydrophobicContact CD2-CD1 4Å; L285-M319 HydrophobicContact CD1-CG 3.96Å; L285-M319 HydrophobicContact CD1-SD 3.66Å; L285-M320 HydrophobicContact CD1-CE 3.29Å; L285-M320 HydrophobicContact CD2-CE 3.44Å; L285-M320 VanDerWaalsContact CD2-CE 3.44Å; L285-M320 HydrophobicContact CG-CE 3.94Å; L285-P340 HydrophobicContact CB-CB 4.41Å |
| 286 | G | 90.6 | Very high | 90.7 | Very high | 37 Ų | 37 | 46.9 Ų | 46.9 | 38% | 0.381 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57 | -26.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N282 Q283 V284 L288 N289 | N282-G286 PolarHBondContact O-N 3.18Å; Q283-G286 PolarHBondContact O-N 3.02Å; V284-G286 VanDerWaalsContact C-N 3.3Å; V284-G286 PolarHBondContact O-N 3.02Å; G286-L288 VanDerWaalsContact C-N 3.3Å; G286-L288 PolarHBondContact O-N 3.18Å; G286-N289 WeakPolarHBondContact O-CB 3.36Å; G286-N289 PolarHBondContact O-N 3.49Å |
| 287 | L | 91.1 | Very high | 90.6 | Very high | 33 Ų | 33 | 43.5 Ų | 43.5 | 17% | 0.173 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.2 | -25.6 | 175.3 | -58.3 | 176.1 | 0 | 0 | 0 | 112.8 | L242 Q283 V284 L285 N289 G290 V299 | L242-L287 HydrophobicContact CD2-CD1 3.65Å; Q283-L287 PolarHBondContact O-N 3.11Å; V284-L287 VanDerWaalsContact O-CB 3.28Å; V284-L287 WeakPolarHBondContact O-CB 3.44Å; V284-L287 PolarHBondContact O-N 3.23Å; L285-L287 PolarHBondContact O-N 2.97Å; L287-N289 PolarHBondContact O-N 3.17Å; L287-G290 PolarHBondContact O-N 3.29Å; L287-V299 HydrophobicContact CB-CG2 3.97Å; L287-V299 HydrophobicContact CD1-CG2 4.09Å |
| 288 | L | 90.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.6 | 176.2 | -65.1 | 175.1 | 0 | 0 | 0 | 113 | L285 G286 G290 V299 L300 L303 A343 L344 R346 W347 | L285-L288 HydrophobicContact CD2-CD1 4.08Å; L285-L288 VanDerWaalsContact O-CB 3.29Å; L285-L288 WeakPolarHBondContact O-CB 3.29Å; L285-L288 PolarHBondContact O-N 2.85Å; G286-L288 VanDerWaalsContact C-N 3.3Å; G286-L288 PolarHBondContact O-N 3.18Å; L288-G290 PolarHBondContact O-N 3Å; L288-V299 HydrophobicContact CD2-CB 4.05Å; L288-V299 HydrophobicContact CD2-CG1 3.57Å; L288-V299 HydrophobicContact CG-CG1 3.89Å; L288-L300 HydrophobicContact CD1-CD2 4.49Å; L288-L300 HydrophobicContact CD2-CD2 3.72Å; L288-L300 HydrophobicContact CD2-CG 3.85Å; L288-L303 HydrophobicContact CD1-CD1 3.82Å; L288-L303 HydrophobicContact CD2-CD1 4.4Å; L288-L303 HydrophobicContact CG-CD1 4.38Å; L288-A343 HydrophobicContact CB-CB 3.82Å; L288-L344 HydrophobicContact CD1-CD2 3.83Å; L288-L344 HydrophobicContact CD1-CG 4.37Å; L288-R346 PolarHBondContact O-NH2 3.39Å; L288-W347 PolarHBondContact O-NE1 3.49Å |
| 289 | N | 87.5 | Confident | 90.5 | Very high | 65 Ų | 65 | 41 Ų | 41 | 35% | 0.348 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -20.3 | 172.4 | -74.6 | -32.2 | 0 | 0 | 0 | 112.6 | G286 L287 E339 R346 | G286-N289 WeakPolarHBondContact O-CB 3.36Å; G286-N289 PolarHBondContact O-N 3.49Å; L287-N289 PolarHBondContact O-N 3.17Å; N289-E339 PolarHBondContact ND2-OE2 2.92Å; N289-R346 PolarHBondContact O-NH1 3.17Å |
| 290 | G | 83.2 | Confident | 90.5 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 34% | 0.34 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -56.4 | 154.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L287 L288 R346 | L287-G290 PolarHBondContact O-N 3.29Å; L288-G290 PolarHBondContact O-N 3Å; G290-R346 PolarHBondContact O-NH2 3.32Å |
| 291 | K | 80.4 | Confident | 90.5 | Very high | 191 Ų | 191 | 39 Ų | 39 | 83% | 0.83 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -95.5 | -3.7 | -177.5 | -68.6 | -172.9 | 178.7 | -178.3 | 0 | 114.6 | P293 | K291-P293 WeakPolarHBondContact O-CD 3.39Š|
| 292 | D | 86.8 | Confident | 90.6 | Very high | 53 Ų | 53 | 39 Ų | 39 | 28% | 0.283 | 22% | 0.215 | S | C | . | . | trans | -82.8 | 113.8 | 179.6 | 176.1 | 22.4 | 0 | 0 | 0 | 110.4 | T248 D294 S295 S296 | T248-D292 WeakPolarHBondContact CG2-OD2 3.26Å; T248-D292 PolarHBondContact OG1-OD2 3.41Å; D292-D294 PolarHBondContact OD1-N 3.11Å; D292-S295 WeakPolarHBondContact OD2-CB 3.5Å; D292-S295 PolarHBondContact OD2-N 3.42Å; D292-S296 VanDerWaalsContact O-CB 3.31Å; D292-S296 WeakPolarHBondContact O-CB 3.28Å; D292-S296 PolarHBondContact O-N 3.3Å; D292-S296 VanDerWaalsContact O-N 3.14Å; D292-S296 PolarHBondContact O-OG 3.16Å | ||
| 293 | P | 86.3 | Confident | 90.8 | Very high | 45 Ų | 45 | 34.3 Ų | 34.3 | 29% | 0.292 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.7 | -40.3 | -179.8 | -22.2 | 36.3 | 0 | 0 | 0 | 112.8 | K291 S296 S297 W347 E356 C358 | K291-P293 WeakPolarHBondContact O-CD 3.39Å; P293-S296 PolarHBondContact O-N 3.5Å; P293-S296 VanDerWaalsContact O-N 3.12Å; P293-S297 PolarHBondContact O-N 2.91Å; P293-W347 HydrophobicContact CB-CZ3 4.22Å; P293-W347 HydrophobicContact CG-CZ3 4.4Å; P293-E356 HydrophobicContact CB-CB 4.1Å; P293-E356 HydrophobicContact CB-CG 3.69Å; P293-C358 PolarHBondContact O-SG 3.27Å |
| 294 | D | 84.7 | Confident | 91 | Very high | 91 Ų | 91 | 31.9 Ų | 31.9 | 49% | 0.487 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.3 | -49.3 | -178.8 | -83.6 | -39.7 | 0 | 0 | 0 | 111.3 | T248 D292 S296 S297 K298 | T248-D294 HydrophobicContact CG2-CB 3.65Å; D292-D294 PolarHBondContact OD1-N 3.11Å; D294-S296 PolarHBondContact O-N 3.21Å; D294-S297 PolarHBondContact O-N 3.15Å; D294-K298 PolarHBondContact O-N 3.33Å |
| 295 | S | 89.8 | Confident | 91.2 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.8 | -31.2 | 175.2 | 176.7 | 0 | 0 | 0 | 0 | 112 | R251 D292 V299 | R251-S295 VanDerWaalsContact CD-OG 3.26Å; R251-S295 WeakPolarHBondContact CD-OG 3.13Å; R251-S295 PolarHBondContact NH1-OG 2.86Å; D292-S295 WeakPolarHBondContact OD2-CB 3.5Å; D292-S295 PolarHBondContact OD2-N 3.42Å; S295-V299 WeakPolarHBondContact O-CG2 3.48Å; S295-V299 PolarHBondContact O-N 2.91Å |
| 296 | S | 91.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -81.8 | -34.3 | -176.9 | -56 | 0 | 0 | 0 | 0 | 112.1 | D292 P293 D294 K298 V299 L300 W347 | D292-S296 VanDerWaalsContact O-CB 3.31Å; D292-S296 WeakPolarHBondContact O-CB 3.28Å; D292-S296 PolarHBondContact O-N 3.3Å; D292-S296 VanDerWaalsContact O-N 3.14Å; D292-S296 PolarHBondContact O-OG 3.16Å; P293-S296 PolarHBondContact O-N 3.5Å; P293-S296 VanDerWaalsContact O-N 3.12Å; D294-S296 PolarHBondContact O-N 3.21Å; S296-K298 VanDerWaalsContact C-N 3.3Å; S296-K298 PolarHBondContact O-N 3.04Å; S296-V299 PolarHBondContact O-N 3.29Å; S296-L300 WeakPolarHBondContact O-CG 3.47Å; S296-L300 PolarHBondContact O-N 2.89Å; S296-W347 WeakPolarHBondContact OG-CZ2 3.4Å |
| 297 | S | 92 | Very high | 91.7 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 11% | 0.105 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.5 | -50.5 | 167.8 | -174 | 0 | 0 | 0 | 0 | 110 | P293 D294 V299 L300 E301 C358 L361 | P293-S297 PolarHBondContact O-N 2.91Å; D294-S297 PolarHBondContact O-N 3.15Å; S297-V299 VanDerWaalsContact C-N 3.35Å; S297-V299 PolarHBondContact O-N 2.93Å; S297-L300 WeakPolarHBondContact O-CB 3.45Å; S297-L300 PolarHBondContact O-N 3.45Å; S297-L300 VanDerWaalsContact O-N 3.1Å; S297-E301 WeakPolarHBondContact O-CG 3.4Å; S297-E301 PolarHBondContact O-N 3.2Å; S297-E301 PolarHBondContact OG-OE1 3.03Å; S297-E301 VanDerWaalsContact OG-OE1 3.07Å; S297-C358 PolarHBondContact N-SG 3.38Å; S297-L361 VanDerWaalsContact OG-CD1 3.27Å; S297-L361 WeakPolarHBondContact OG-CD1 3.49Å |
| 298 | K | 92.9 | Very high | 91.9 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 9% | 0.087 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.6 | -34.1 | 179 | -77.5 | -75.3 | 162.7 | -168.7 | 0 | 113.7 | Y129 K252 V255 D256 D294 S296 E301 L302 | Y129-K298 WeakPolarHBondContact OH-CE 3.45Å; Y129-K298 PolarHBondContact OH-NZ 2.96Å; K252-K298 HydrophobicContact CB-CG 4.45Å; K252-K298 HydrophobicContact CG-CD 4.15Å; K252-K298 HydrophobicContact CG-CG 4.17Å; V255-K298 HydrophobicContact CB-CB 4.37Å; V255-K298 HydrophobicContact CB-CD 4.28Å; V255-K298 HydrophobicContact CG1-CB 4.24Å; V255-K298 HydrophobicContact CG1-CD 3.77Å; V255-K298 VanDerWaalsContact CG1-O 3.29Å; V255-K298 WeakPolarHBondContact CG1-O 3.42Å; V255-K298 HydrophobicContact CG2-CB 4.2Å; V255-K298 WeakPolarHBondContact CG2-O 3.41Å; D256-K298 IonicContact OD1-NZ 2.99Å; D256-K298 PolarHBondContact OD1-NZ 3Å; D256-K298 IonicContact OD2-NZ 3.95Å; D294-K298 PolarHBondContact O-N 3.33Å; S296-K298 VanDerWaalsContact C-N 3.3Å; S296-K298 PolarHBondContact O-N 3.04Å; K298-E301 WeakPolarHBondContact CE-OE1 3.49Å; K298-E301 WeakPolarHBondContact CE-OE2 3.3Å; K298-E301 IonicContact NZ-OE1 3.42Å; K298-E301 IonicContact NZ-OE2 3.09Å; K298-E301 PolarHBondContact NZ-OE2 3.22Å; K298-L302 PolarHBondContact O-N 3.28Å; K298-L302 VanDerWaalsContact O-N 3.15Å |
| 299 | V | 94.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 172.4 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | V284 L287 L288 S295 S296 S297 L302 L303 | V284-V299 HydrophobicContact CG1-CG1 3.87Å; L287-V299 HydrophobicContact CB-CG2 3.97Å; L287-V299 HydrophobicContact CD1-CG2 4.09Å; L288-V299 HydrophobicContact CD2-CB 4.05Å; L288-V299 HydrophobicContact CD2-CG1 3.57Å; L288-V299 HydrophobicContact CG-CG1 3.89Å; S295-V299 WeakPolarHBondContact O-CG2 3.48Å; S295-V299 PolarHBondContact O-N 2.91Å; S296-V299 PolarHBondContact O-N 3.29Å; S297-V299 VanDerWaalsContact C-N 3.35Å; S297-V299 PolarHBondContact O-N 2.93Å; V299-L302 PolarHBondContact O-N 2.86Å; V299-L303 HydrophobicContact CG1-CD1 4.16Å; V299-L303 WeakPolarHBondContact O-CG 2.98Å; V299-L303 PolarHBondContact O-N 2.72Å; V299-L303 VanDerWaalsContact O-N 3.09Å |
| 300 | L | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66 | -41.7 | 176.1 | -66.3 | 165.6 | 0 | 0 | 0 | 112.3 | L288 S296 S297 L302 L303 L304 L344 C358 L361 L365 | L288-L300 HydrophobicContact CD1-CD2 4.49Å; L288-L300 HydrophobicContact CD2-CD2 3.72Å; L288-L300 HydrophobicContact CD2-CG 3.85Å; S296-L300 WeakPolarHBondContact O-CG 3.47Å; S296-L300 PolarHBondContact O-N 2.89Å; S297-L300 WeakPolarHBondContact O-CB 3.45Å; S297-L300 PolarHBondContact O-N 3.45Å; S297-L300 VanDerWaalsContact O-N 3.1Å; L300-L302 VanDerWaalsContact C-N 3.28Å; L300-L302 PolarHBondContact O-N 3.26Å; L300-L303 PolarHBondContact O-N 3.17Å; L300-L303 VanDerWaalsContact O-N 3.17Å; L300-L304 WeakPolarHBondContact O-CG 3.26Å; L300-L304 PolarHBondContact O-N 3.05Å; L300-L344 HydrophobicContact CD2-CD2 3.4Å; L300-L344 VanDerWaalsContact CD2-CD2 3.4Å; L300-C358 HydrophobicContact CD1-CB 3.96Å; L300-L361 HydrophobicContact CB-CB 3.78Å; L300-L361 HydrophobicContact CB-CD1 4.21Å; L300-L361 HydrophobicContact CD1-CB 4.11Å; L300-L365 HydrophobicContact CD2-CD2 4.03Å |
| 301 | E | 95.8 | Very high | 93.1 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.2 | -39.2 | 173.4 | -71 | 166.9 | -118.1 | 0 | 0 | 112.2 | M259 S297 K298 A305 L361 | M259-E301 HydrophobicContact CE-CB 4.04Å; M259-E301 HydrophobicContact SD-CB 4.05Å; S297-E301 WeakPolarHBondContact O-CG 3.4Å; S297-E301 PolarHBondContact O-N 3.2Å; S297-E301 PolarHBondContact OG-OE1 3.03Å; S297-E301 VanDerWaalsContact OG-OE1 3.07Å; K298-E301 WeakPolarHBondContact CE-OE1 3.49Å; K298-E301 WeakPolarHBondContact CE-OE2 3.3Å; K298-E301 IonicContact NZ-OE1 3.42Å; K298-E301 IonicContact NZ-OE2 3.09Å; K298-E301 PolarHBondContact NZ-OE2 3.22Å; E301-A305 PolarHBondContact O-N 2.63Å; E301-L361 HydrophobicContact CG-CD1 3.96Å; E301-L361 HydrophobicContact CG-CD2 4.15Å |
| 302 | L | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69.4 | -39.9 | 175.1 | 179.6 | 60.2 | 0 | 0 | 0 | 112.7 | L242 V255 L258 M259 L262 V284 K298 V299 L300 L304 A305 F306 | L242-L302 HydrophobicContact CD1-CD2 3.47Å; L242-L302 VanDerWaalsContact CD1-CD2 3.47Å; V255-L302 HydrophobicContact CG1-CB 4.13Å; V255-L302 HydrophobicContact CG2-CB 4.12Å; V255-L302 HydrophobicContact CG2-CD2 4.24Å; L258-L302 HydrophobicContact CB-CD1 4.12Å; L258-L302 HydrophobicContact CD2-CD1 3.8Å; L258-L302 HydrophobicContact CD2-CD2 4.06Å; L258-L302 HydrophobicContact CG-CD1 3.88Å; M259-L302 HydrophobicContact CG-CD1 4.29Å; L262-L302 HydrophobicContact CD1-CD1 4.47Å; V284-L302 HydrophobicContact CG1-CD2 4.45Å; K298-L302 PolarHBondContact O-N 3.28Å; K298-L302 VanDerWaalsContact O-N 3.15Å; V299-L302 PolarHBondContact O-N 2.86Å; L300-L302 VanDerWaalsContact C-N 3.28Å; L300-L302 PolarHBondContact O-N 3.26Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-A305 WeakPolarHBondContact O-CB 3.49Å; L302-A305 PolarHBondContact O-N 2.98Å; L302-A305 VanDerWaalsContact O-N 3.17Å; L302-F306 HydrophobicContact CD1-CD1 4.4Å; L302-F306 HydrophobicContact CD1-CE1 3.81Å; L302-F306 HydrophobicContact CD1-CE2 4.29Å; L302-F306 HydrophobicContact CD1-CZ 3.74Å; L302-F306 HydrophobicContact CD2-CE2 4.13Å; L302-F306 HydrophobicContact CD2-CZ 3.91Å; L302-F306 HydrophobicContact CG-CD2 4.42Å; L302-F306 HydrophobicContact CG-CE1 4.25Å; L302-F306 HydrophobicContact CG-CE2 3.81Å; L302-F306 HydrophobicContact CG-CZ 3.7Å; L302-F306 PolarHBondContact O-N 3.37Å |
| 303 | L | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 177.7 | -67.3 | 167.4 | 0 | 0 | 0 | 111 | L281 V284 L285 L288 V299 L300 F306 C307 L316 L365 | L281-L303 HydrophobicContact CD1-CD2 3.83Å; V284-L303 HydrophobicContact CG1-CD2 4.35Å; L285-L303 HydrophobicContact CD2-CD1 3.8Å; L285-L303 HydrophobicContact CD2-CD2 3.81Å; L285-L303 HydrophobicContact CD2-CG 4.5Å; L288-L303 HydrophobicContact CD1-CD1 3.82Å; L288-L303 HydrophobicContact CD2-CD1 4.4Å; L288-L303 HydrophobicContact CG-CD1 4.38Å; V299-L303 HydrophobicContact CG1-CD1 4.16Å; V299-L303 WeakPolarHBondContact O-CG 2.98Å; V299-L303 PolarHBondContact O-N 2.72Å; V299-L303 VanDerWaalsContact O-N 3.09Å; L300-L303 PolarHBondContact O-N 3.17Å; L300-L303 VanDerWaalsContact O-N 3.17Å; L303-F306 HydrophobicContact CD2-CD2 4.18Å; L303-F306 WeakPolarHBondContact O-CB 3.3Å; L303-F306 PolarHBondContact O-N 2.94Å; L303-C307 PolarHBondContact O-N 3.05Å; L303-C307 PolarHBondContact O-SG 3.29Å; L303-L316 HydrophobicContact CB-CD2 4.17Å; L303-L316 HydrophobicContact CD2-CD1 4Å; L303-L316 HydrophobicContact CD2-CD2 3.98Å; L303-L365 HydrophobicContact CB-CD1 3.96Å; L303-L365 HydrophobicContact CB-CD2 3.85Å; L303-L365 HydrophobicContact CD1-CD2 3.85Å; L303-L365 HydrophobicContact CG-CD2 4.48Å |
| 304 | L | 97.3 | Very high | 94.8 | Very high | 34 Ų | 34 | 30 Ų | 30 | 18% | 0.178 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.8 | -37.5 | 171.1 | -71.2 | 168.4 | 0 | 0 | 0 | 112.5 | L300 L302 F306 C307 S308 L361 E364 L365 E368 | L300-L304 WeakPolarHBondContact O-CG 3.26Å; L300-L304 PolarHBondContact O-N 3.05Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L304-F306 VanDerWaalsContact C-N 3.33Å; L304-F306 PolarHBondContact O-N 2.6Å; L304-C307 WeakPolarHBondContact O-CB 3.43Å; L304-C307 PolarHBondContact O-N 2.94Å; L304-C307 VanDerWaalsContact O-N 3.14Å; L304-S308 PolarHBondContact O-N 3.39Å; L304-L361 HydrophobicContact CD1-CB 4.13Å; L304-L361 HydrophobicContact CD1-CD2 3.64Å; L304-E364 HydrophobicContact CD1-CB 4.17Å; L304-E364 HydrophobicContact CD2-CB 3.81Å; L304-L365 HydrophobicContact CD2-CB 4.09Å; L304-L365 HydrophobicContact CD2-CD1 4.28Å; L304-L365 HydrophobicContact CG-CB 4.5Å; L304-E368 HydrophobicContact CD2-CG 4.21Å |
| 305 | A | 97.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 28 Ų | 28 | 11% | 0.107 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.3 | -33.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | M259 L262 E301 L302 S308 | M259-A305 HydrophobicContact CB-CB 4.42Å; M259-A305 HydrophobicContact CE-CB 4.22Å; M259-A305 HydrophobicContact CG-CB 3.76Å; L262-A305 HydrophobicContact CD1-CB 3.91Å; E301-A305 PolarHBondContact O-N 2.63Å; L302-A305 WeakPolarHBondContact O-CB 3.49Å; L302-A305 PolarHBondContact O-N 2.98Å; L302-A305 VanDerWaalsContact O-N 3.17Å; A305-S308 PolarHBondContact O-N 2.87Å; A305-S308 PolarHBondContact O-OG 2.87Å |
| 306 | F | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.9 | -38.7 | 168.2 | -62.1 | -33.8 | 0 | 0 | 0 | 112 | F239 L258 L262 L271 F277 L281 L302 L303 L304 S308 V309 L312 | F239-F306 HydrophobicContact CE1-CZ 4.22Å; F239-F306 HydrophobicContact CZ-CZ 4.3Å; L258-F306 HydrophobicContact CD2-CE1 4.13Å; L258-F306 HydrophobicContact CD2-CZ 4.05Å; L258-F306 HydrophobicContact CG-CE1 4.5Å; L262-F306 HydrophobicContact CD1-CD1 3.75Å; L262-F306 HydrophobicContact CD1-CE1 3.95Å; L271-F306 HydrophobicContact CD2-CD1 4.37Å; L271-F306 HydrophobicContact CD2-CE1 3.83Å; F277-F306 HydrophobicContact CE2-CD1 4.43Å; F277-F306 HydrophobicContact CE2-CE1 4.07Å; F277-F306 HydrophobicContact CE2-CE2 4.23Å; F277-F306 AromaticContact CE2-CZ 3.96Å; F277-F306 HydrophobicContact CE2-CZ 3.96Å; F277-F306 HydrophobicContact CZ-CD1 4.46Å; F277-F306 HydrophobicContact CZ-CD2 4.32Å; F277-F306 HydrophobicContact CZ-CE2 4.38Å; F277-F306 HydrophobicContact CZ-CG 4.38Å; F277-F306 HydrophobicContact CZ-CZ 4.48Å; L281-F306 HydrophobicContact CD1-CD2 3.79Å; L281-F306 HydrophobicContact CD1-CE2 3.74Å; L302-F306 HydrophobicContact CD1-CD1 4.4Å; L302-F306 HydrophobicContact CD1-CE1 3.81Å; L302-F306 HydrophobicContact CD1-CE2 4.29Å; L302-F306 HydrophobicContact CD1-CZ 3.74Å; L302-F306 HydrophobicContact CD2-CE2 4.13Å; L302-F306 HydrophobicContact CD2-CZ 3.91Å; L302-F306 HydrophobicContact CG-CD2 4.42Å; L302-F306 HydrophobicContact CG-CE1 4.25Å; L302-F306 HydrophobicContact CG-CE2 3.81Å; L302-F306 HydrophobicContact CG-CZ 3.7Å; L302-F306 PolarHBondContact O-N 3.37Å; L303-F306 HydrophobicContact CD2-CD2 4.18Å; L303-F306 WeakPolarHBondContact O-CB 3.3Å; L303-F306 PolarHBondContact O-N 2.94Å; L304-F306 VanDerWaalsContact C-N 3.33Å; L304-F306 PolarHBondContact O-N 2.6Å; F306-S308 PolarHBondContact O-N 3.17Å; F306-V309 PolarHBondContact O-N 3.34Å; F306-V309 VanDerWaalsContact O-O 3.13Å; F306-L312 HydrophobicContact CB-CB 4.08Å; F306-L312 HydrophobicContact CD1-CD1 3.92Å; F306-L312 WeakPolarHBondContact O-CB 3.48Å |
| 307 | C | 97.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 3% | 0.034 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.8 | -33.1 | 175.1 | -64.5 | 0 | 0 | 0 | 0 | 113.1 | L303 L304 V309 R313 E368 | L303-C307 PolarHBondContact O-N 3.05Å; L303-C307 PolarHBondContact O-SG 3.29Å; L304-C307 WeakPolarHBondContact O-CB 3.43Å; L304-C307 PolarHBondContact O-N 2.94Å; L304-C307 VanDerWaalsContact O-N 3.14Å; C307-V309 PolarHBondContact O-N 3.44Å; C307-R313 HydrophobicContact CB-CG 4.02Å; C307-R313 WeakPolarHBondContact O-CD 3.49Å; C307-E368 HydrophobicContact CB-CB 3.87Å; C307-E368 HydrophobicContact CB-CG 3.8Å |
| 308 | S | 95.3 | Very high | 95.6 | Very high | 91 Ų | 91 | 33.8 Ų | 33.8 | 64% | 0.636 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -8.6 | 175.5 | 78 | 0 | 0 | 0 | 0 | 115.6 | L304 A305 F306 | L304-S308 PolarHBondContact O-N 3.39Å; A305-S308 PolarHBondContact O-N 2.87Å; A305-S308 PolarHBondContact O-OG 2.87Å; F306-S308 PolarHBondContact O-N 3.17Å |
| 309 | V | 96.9 | Very high | 95.5 | Very high | 21 Ų | 21 | 34 Ų | 34 | 13% | 0.127 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -118.6 | 107 | 175.7 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | L262 A268 T272 F306 C307 Q311 L312 R313 | L262-V309 HydrophobicContact CD2-CG2 4.3Å; A268-V309 HydrophobicContact CB-CG1 4.22Å; A268-V309 HydrophobicContact CB-CG2 3.87Å; T272-V309 HydrophobicContact CG2-CG1 4.08Å; F306-V309 PolarHBondContact O-N 3.34Å; F306-V309 VanDerWaalsContact O-O 3.13Å; C307-V309 PolarHBondContact O-N 3.44Å; V309-Q311 VanDerWaalsContact C-N 3.31Å; V309-Q311 PolarHBondContact O-N 2.92Å; V309-Q311 VanDerWaalsContact O-N 3.08Å; V309-L312 HydrophobicContact CB-CB 4.2Å; V309-L312 HydrophobicContact CB-CD1 3.89Å; V309-L312 HydrophobicContact CB-CG 3.96Å; V309-L312 HydrophobicContact CG1-CB 4.49Å; V309-L312 HydrophobicContact CG1-CD1 4.07Å; V309-L312 HydrophobicContact CG1-CG 3.87Å; V309-L312 HydrophobicContact CG2-CD1 4.25Å; V309-L312 CarbonylContact O-C 3.51Å; V309-L312 WeakPolarHBondContact O-CA 3.4Å; V309-L312 WeakPolarHBondContact O-CB 3.38Å; V309-L312 PolarHBondContact O-N 3.45Å; V309-R313 PolarHBondContact O-N 2.93Å |
| 310 | T | 94.7 | Very high | 95.3 | Very high | 76 Ų | 76 | 34.5 Ų | 34.5 | 47% | 0.466 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -48.2 | -45.1 | -167.7 | -45.6 | 0 | 0 | 0 | 0 | 114.4 | L312 R313 H314 | T310-L312 VanDerWaalsContact C-N 3.35Å; T310-L312 PolarHBondContact O-N 3.08Å; T310-R313 WeakPolarHBondContact O-CB 3.49Å; T310-R313 PolarHBondContact O-N 3.36Å; T310-H314 PolarHBondContact O-N 2.98Å |
| 311 | Q | 94.8 | Very high | 94.9 | Very high | 112 Ų | 112 | 35.4 Ų | 35.4 | 52% | 0.523 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -71 | -27.9 | 179.6 | -65.2 | 75.8 | 17.6 | 0 | 0 | 113.2 | T272 V309 V315 | T272-Q311 HydrophobicContact CG2-CB 3.76Å; V309-Q311 VanDerWaalsContact C-N 3.31Å; V309-Q311 PolarHBondContact O-N 2.92Å; V309-Q311 VanDerWaalsContact O-N 3.08Å; Q311-V315 WeakPolarHBondContact O-CG2 3.42Å; Q311-V315 PolarHBondContact O-N 3.38Å |
| 312 | L | 96.9 | Very high | 94 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.7 | -35.3 | 171.4 | -54.2 | -177.7 | 0 | 0 | 0 | 110.8 | L262 L271 T272 F277 F306 V309 T310 V315 L316 | L262-L312 HydrophobicContact CD2-CD1 3.89Å; L271-L312 HydrophobicContact CD2-CD1 3.88Å; L271-L312 HydrophobicContact CG-CD1 4.36Å; L271-L312 HydrophobicContact CG-CD2 4.4Å; T272-L312 HydrophobicContact CG2-CD2 3.62Å; T272-L312 HydrophobicContact CG2-CG 3.87Å; F277-L312 HydrophobicContact CD1-CD2 4.12Å; F277-L312 HydrophobicContact CE1-CD2 3.69Å; F277-L312 HydrophobicContact CE2-CD2 4.29Å; F277-L312 HydrophobicContact CZ-CB 4.37Å; F277-L312 HydrophobicContact CZ-CD2 3.79Å; F277-L312 HydrophobicContact CZ-CG 4.48Å; F306-L312 HydrophobicContact CB-CB 4.08Å; F306-L312 HydrophobicContact CD1-CD1 3.92Å; F306-L312 WeakPolarHBondContact O-CB 3.48Å; V309-L312 HydrophobicContact CB-CB 4.2Å; V309-L312 HydrophobicContact CB-CD1 3.89Å; V309-L312 HydrophobicContact CB-CG 3.96Å; V309-L312 HydrophobicContact CG1-CB 4.49Å; V309-L312 HydrophobicContact CG1-CD1 4.07Å; V309-L312 HydrophobicContact CG1-CG 3.87Å; V309-L312 HydrophobicContact CG2-CD1 4.25Å; V309-L312 CarbonylContact O-C 3.51Å; V309-L312 WeakPolarHBondContact O-CA 3.4Å; V309-L312 WeakPolarHBondContact O-CB 3.38Å; V309-L312 PolarHBondContact O-N 3.45Å; T310-L312 VanDerWaalsContact C-N 3.35Å; T310-L312 PolarHBondContact O-N 3.08Å; L312-V315 PolarHBondContact O-N 2.89Å; L312-L316 WeakPolarHBondContact O-CB 3.28Å; L312-L316 PolarHBondContact O-N 3.22Å |
| 313 | R | 96.8 | Very high | 92.1 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 9% | 0.087 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55 | -54.4 | 169.6 | -158.6 | 168.9 | 76.3 | 162.2 | 8.8 | 109.9 | C307 V309 T310 V315 L316 T317 E368 E371 D372 D375 | C307-R313 HydrophobicContact CB-CG 4.02Å; C307-R313 WeakPolarHBondContact O-CD 3.49Å; V309-R313 PolarHBondContact O-N 2.93Å; T310-R313 WeakPolarHBondContact O-CB 3.49Å; T310-R313 PolarHBondContact O-N 3.36Å; R313-V315 PolarHBondContact O-N 3.43Å; R313-L316 WeakPolarHBondContact O-CB 3.2Å; R313-L316 PolarHBondContact O-N 3.03Å; R313-L316 VanDerWaalsContact O-N 3.09Å; R313-T317 WeakPolarHBondContact O-CB 3.42Å; R313-T317 PolarHBondContact O-N 3.2Å; R313-T317 PolarHBondContact O-OG1 3.06Å; R313-E368 WeakPolarHBondContact CD-OE2 3.46Å; R313-E368 IonicContact CZ-OE2 3.27Å; R313-E368 IonicContact NH1-OE2 3.19Å; R313-E368 PolarHBondContact NH1-OE2 3.3Å; R313-E371 IonicContact CZ-OE1 3.17Å; R313-E371 IonicContact NH1-OE1 3.89Å; R313-E371 PolarHBondContact NH1-OE1 3.37Å; R313-E371 IonicContact NH2-OE1 2.94Å; R313-D372 HydrophobicContact CG-CB 3.99Å; R313-D372 IonicContact CZ-OD1 2.64Å; R313-D372 IonicContact NE-OD1 2.72Å; R313-D372 PolarHBondContact NE-OD1 3.46Å; R313-D372 IonicContact NH2-OD1 2.85Å; R313-D372 PolarHBondContact NH2-OD1 2.87Å; R313-D375 IonicContact NH2-OD2 3.68Å; R313-D375 PolarHBondContact NH2-OD2 3.08Å |
| 314 | H | 94.9 | Very high | 89.6 | Confident | 78 Ų | 78 | 48.3 Ų | 48.3 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -54.2 | -45.9 | 177.5 | -66.3 | -24.7 | 0 | 0 | 0 | 114.2 | T310 L316 T317 Q318 D372 | T310-H314 PolarHBondContact O-N 2.98Å; H314-L316 VanDerWaalsContact C-N 3.34Å; H314-L316 PolarHBondContact O-N 3.36Å; H314-T317 PolarHBondContact O-N 3.48Å; H314-Q318 WeakPolarHBondContact O-CB 3.27Å; H314-Q318 PolarHBondContact O-N 3.26Å; H314-D372 VanDerWaalsContact CA-OD2 3.29Å; H314-D372 WeakPolarHBondContact CA-OD2 3.4Å; H314-D372 IonicContact CE1-OD1 2.64Å; H314-D372 PolarHBondContact CE1-OD1 3.37Å; H314-D372 IonicContact CE1-OD2 2.66Å; H314-D372 IonicContact CG-OD2 3.54Å; H314-D372 PolarHBondContact N-OD2 2.96Å; H314-D372 IonicContact ND1-OD1 3.81Å; H314-D372 PolarHBondContact ND1-OD1 3.09Å; H314-D372 IonicContact ND1-OD2 2.91Å; H314-D372 PolarHBondContact ND1-OD2 3.37Å |
| 315 | V | 94.8 | Very high | 86.8 | Confident | 49 Ų | 49 | 51.4 Ų | 51.4 | 30% | 0.297 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 178.9 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | F277 L281 Q311 L312 R313 M319 | F277-V315 HydrophobicContact CD1-CG1 4.08Å; F277-V315 HydrophobicContact CE1-CB 4.23Å; F277-V315 HydrophobicContact CE1-CG1 3.91Å; L281-V315 HydrophobicContact CD2-CG1 4.08Å; Q311-V315 WeakPolarHBondContact O-CG2 3.42Å; Q311-V315 PolarHBondContact O-N 3.38Å; L312-V315 PolarHBondContact O-N 2.89Å; R313-V315 PolarHBondContact O-N 3.43Å; V315-M319 WeakPolarHBondContact O-CB 3.43Å; V315-M319 PolarHBondContact O-N 2.91Å; V315-M319 VanDerWaalsContact O-N 3.12Å |
| 316 | L | 95.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68 | -47.9 | 174.8 | 175.8 | 54.3 | 0 | 0 | 0 | 111.8 | L281 L285 L303 L312 R313 H314 Q318 M319 M320 L365 | L281-L316 HydrophobicContact CD1-CD1 4.33Å; L281-L316 HydrophobicContact CD2-CB 4.09Å; L281-L316 HydrophobicContact CD2-CD1 4.26Å; L285-L316 HydrophobicContact CD1-CD1 4.2Å; L285-L316 HydrophobicContact CD2-CD1 4Å; L303-L316 HydrophobicContact CB-CD2 4.17Å; L303-L316 HydrophobicContact CD2-CD1 4Å; L303-L316 HydrophobicContact CD2-CD2 3.98Å; L312-L316 WeakPolarHBondContact O-CB 3.28Å; L312-L316 PolarHBondContact O-N 3.22Å; R313-L316 WeakPolarHBondContact O-CB 3.2Å; R313-L316 PolarHBondContact O-N 3.03Å; R313-L316 VanDerWaalsContact O-N 3.09Å; H314-L316 VanDerWaalsContact C-N 3.34Å; H314-L316 PolarHBondContact O-N 3.36Å; L316-Q318 VanDerWaalsContact C-N 3.35Å; L316-Q318 PolarHBondContact O-N 2.71Å; L316-M319 CarbonylContact O-C 3.59Å; L316-M319 PolarHBondContact O-N 3.12Å; L316-M319 VanDerWaalsContact O-N 3.13Å; L316-M320 HydrophobicContact CD1-CE 3.89Å; L316-M320 HydrophobicContact CD1-CG 4.32Å; L316-M320 WeakPolarHBondContact O-CG 3.39Å; L316-M320 PolarHBondContact O-N 3Å; L316-L365 HydrophobicContact CD2-CD1 4.11Å |
| 317 | T | 94.3 | Very high | 81.1 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 6% | 0.055 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -55.5 | -47.8 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | R313 H314 M319 M320 F321 I369 D372 V373 | R313-T317 WeakPolarHBondContact O-CB 3.42Å; R313-T317 PolarHBondContact O-N 3.2Å; R313-T317 PolarHBondContact O-OG1 3.06Å; H314-T317 PolarHBondContact O-N 3.48Å; T317-M319 VanDerWaalsContact C-N 3.33Å; T317-M319 PolarHBondContact O-N 3.29Å; T317-M320 PolarHBondContact O-N 2.94Å; T317-F321 HydrophobicContact CG2-CD2 4.18Å; T317-F321 HydrophobicContact CG2-CE2 4.21Å; T317-F321 VanDerWaalsContact O-CD2 3.24Å; T317-F321 WeakPolarHBondContact O-CD2 3.49Å; T317-F321 PolarHBondContact O-N 2.97Å; T317-I369 HydrophobicContact CG2-CB 4.46Å; T317-D372 VanDerWaalsContact CB-OD2 3.23Å; T317-D372 WeakPolarHBondContact CB-OD2 3.45Å; T317-D372 HydrophobicContact CG2-CB 4.16Å; T317-D372 WeakPolarHBondContact OG1-CB 3.31Å; T317-D372 PolarHBondContact OG1-OD2 3.11Å; T317-V373 HydrophobicContact CG2-CG2 3.46Å; T317-V373 VanDerWaalsContact CG2-CG2 3.46Å |
| 318 | Q | 90.8 | Very high | 78.3 | Confident | 134 Ų | 134 | 64.2 Ų | 64.2 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60 | -44.7 | 176.6 | -174.3 | 174.3 | -2.6 | 0 | 0 | 110.9 | H314 L316 M320 F321 E322 | H314-Q318 WeakPolarHBondContact O-CB 3.27Å; H314-Q318 PolarHBondContact O-N 3.26Å; L316-Q318 VanDerWaalsContact C-N 3.35Å; L316-Q318 PolarHBondContact O-N 2.71Å; Q318-M320 VanDerWaalsContact C-N 3.33Å; Q318-M320 PolarHBondContact O-N 3.31Å; Q318-F321 CarbonylContact O-C 3.59Å; Q318-F321 PolarHBondContact O-N 3.16Å; Q318-E322 WeakPolarHBondContact O-CB 3.44Å; Q318-E322 PolarHBondContact O-N 2.77Å |
| 319 | M | 90.6 | Very high | 75.5 | Confident | 25 Ų | 25 | 63 Ų | 63 | 12% | 0.123 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.6 | -23.8 | 179.7 | -165.1 | 173.1 | -64.7 | 0 | 0 | 114 | S278 L281 N282 L285 V315 L316 T317 F321 | S278-M319 WeakPolarHBondContact O-CE 3.21Å; S278-M319 VanDerWaalsContact OG-CE 3.28Å; S278-M319 WeakPolarHBondContact OG-CE 3.36Å; L281-M319 HydrophobicContact CB-CE 4.32Å; L281-M319 HydrophobicContact CB-SD 4.2Å; L281-M319 HydrophobicContact CD2-CE 4.14Å; L281-M319 HydrophobicContact CD2-SD 4.08Å; L281-M319 HydrophobicContact CG-CE 4.45Å; L281-M319 HydrophobicContact CG-SD 3.98Å; N282-M319 HydrophobicContact CB-CE 4.47Å; N282-M319 HydrophobicContact CB-SD 3.79Å; L285-M319 HydrophobicContact CD1-CG 3.96Å; L285-M319 HydrophobicContact CD1-SD 3.66Å; V315-M319 WeakPolarHBondContact O-CB 3.43Å; V315-M319 PolarHBondContact O-N 2.91Å; V315-M319 VanDerWaalsContact O-N 3.12Å; L316-M319 CarbonylContact O-C 3.59Å; L316-M319 PolarHBondContact O-N 3.12Å; L316-M319 VanDerWaalsContact O-N 3.13Å; T317-M319 VanDerWaalsContact C-N 3.33Å; T317-M319 PolarHBondContact O-N 3.29Å; M319-F321 VanDerWaalsContact C-N 3.34Å |
| 320 | M | 89.7 | Confident | 72.7 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.059 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -70.6 | -29.4 | 171.4 | -71.7 | -62.4 | 97.1 | 0 | 0 | 113.2 | L285 L316 T317 Q318 P340 T341 L344 I369 | L285-M320 HydrophobicContact CD1-CE 3.29Å; L285-M320 HydrophobicContact CD2-CE 3.44Å; L285-M320 VanDerWaalsContact CD2-CE 3.44Å; L285-M320 HydrophobicContact CG-CE 3.94Å; L316-M320 HydrophobicContact CD1-CE 3.89Å; L316-M320 HydrophobicContact CD1-CG 4.32Å; L316-M320 WeakPolarHBondContact O-CG 3.39Å; L316-M320 PolarHBondContact O-N 3Å; T317-M320 PolarHBondContact O-N 2.94Å; Q318-M320 VanDerWaalsContact C-N 3.33Å; Q318-M320 PolarHBondContact O-N 3.31Å; M320-P340 HydrophobicContact CE-CB 3.51Å; M320-P340 HydrophobicContact CE-CG 4.25Å; M320-P340 HydrophobicContact SD-CB 4.07Å; M320-T341 HydrophobicContact CB-CG2 4.44Å; M320-T341 WeakPolarHBondContact O-CG2 3.32Å; M320-T341 HydrophobicContact SD-CG2 4.3Å; M320-L344 HydrophobicContact SD-CD1 4.2Å; M320-I369 HydrophobicContact CB-CD1 4.14Å; M320-I369 HydrophobicContact CG-CD1 3.79Å; M320-I369 HydrophobicContact CG-CG2 4.44Å |
| 321 | F | 87.5 | Confident | 70 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 8% | 0.083 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -122.7 | 14.8 | -170.6 | -53.4 | -54.3 | 0 | 0 | 0 | 113.4 | T317 Q318 M319 Q323 T341 I369 F370 V373 S381 A382 F385 | T317-F321 HydrophobicContact CG2-CD2 4.18Å; T317-F321 HydrophobicContact CG2-CE2 4.21Å; T317-F321 VanDerWaalsContact O-CD2 3.24Å; T317-F321 WeakPolarHBondContact O-CD2 3.49Å; T317-F321 PolarHBondContact O-N 2.97Å; Q318-F321 CarbonylContact O-C 3.59Å; Q318-F321 PolarHBondContact O-N 3.16Å; M319-F321 VanDerWaalsContact C-N 3.34Å; F321-Q323 PolarHBondContact O-N 2.68Å; F321-Q323 VanDerWaalsContact O-N 3.11Å; F321-T341 HydrophobicContact CE1-CG2 4.42Å; F321-I369 HydrophobicContact CE2-CB 4.34Å; F321-I369 HydrophobicContact CE2-CD1 4.07Å; F321-I369 HydrophobicContact CE2-CG1 4.17Å; F321-I369 HydrophobicContact CZ-CD1 3.64Å; F321-I369 HydrophobicContact CZ-CG1 4.03Å; F321-F370 HydrophobicContact CE1-CE1 4.45Å; F321-F370 HydrophobicContact CZ-CD1 4.41Å; F321-F370 AromaticContact CZ-CE1 3.87Å; F321-F370 HydrophobicContact CZ-CE1 3.87Å; F321-F370 HydrophobicContact CZ-CZ 4.23Å; F321-V373 HydrophobicContact CD2-CG2 3.73Å; F321-V373 HydrophobicContact CE2-CG2 3.57Å; F321-S381 PolarHBondContact O-OG 2.97Å; F321-A382 HydrophobicContact CD1-CB 4.24Å; F321-A382 HydrophobicContact CD2-CB 4.17Å; F321-A382 HydrophobicContact CE1-CB 4.23Å; F321-A382 HydrophobicContact CE2-CB 4.14Å; F321-A382 HydrophobicContact CG-CB 4.22Å; F321-A382 HydrophobicContact CZ-CB 4.17Å; F321-F385 HydrophobicContact CE1-CB 4.36Å; F321-F385 AromaticContact CE1-CD1 3.68Å; F321-F385 HydrophobicContact CE1-CD1 3.68Å; F321-F385 HydrophobicContact CE1-CE1 4.4Å; F321-F385 HydrophobicContact CE1-CG 4.25Å; F321-F385 HydrophobicContact CZ-CD1 4.48Å |
| 322 | E | 77.4 | Confident | 67.3 | Low | 129 Ų | 129 | 70 Ų | 70 | 60% | 0.603 | 43% | 0.427 | S | S | * | . | trans | -69.2 | 107.4 | -177.8 | -167.3 | 173.9 | -174.6 | 0 | 0 | 111.5 | Q318 S324 | Q318-E322 WeakPolarHBondContact O-CB 3.44Å; Q318-E322 PolarHBondContact O-N 2.77Å; E322-S324 PolarHBondContact O-N 2.86Å | ||
| 323 | Q | 56.5 | Low | 64.8 | Low | 117 Ų | 117 | 72 Ų | 72 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | trans | -82.5 | 110.1 | 178.9 | -57.5 | -170.8 | 28 | 0 | 0 | 110.2 | F321 S381 | F321-Q323 PolarHBondContact O-N 2.68Å; F321-Q323 VanDerWaalsContact O-N 3.11Å; Q323-S381 PolarHBondContact NE2-O 3.29Å | ||
| 324 | S | 44.3 | Very low | 62.6 | Low | 66 Ų | 66 | 77.7 Ų | 77.7 | 46% | 0.462 | 47% | 0.468 | S | S | . | . | trans | -58.2 | 132.6 | 174.1 | 71.1 | 0 | 0 | 0 | 0 | 110.4 | E322 | E322-S324 PolarHBondContact O-N 2.86Š| ||
| 325 | P | 40 | Very low | 60.4 | Low | 99 Ų | 99 | 78.8 Ų | 78.8 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | trans | -60.5 | 143.4 | -176.1 | 23.5 | -33.7 | 0 | 0 | 0 | 111.4 | G327 | P325-G327 PolarHBondContact O-N 3.17Š| ||
| 326 | P | 36.3 | Very low | 58.3 | Low | 132 Ų | 132 | 83.7 Ų | 83.7 | 86% | 0.857 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 13.1 | -164.4 | 27.5 | -36.6 | 0 | 0 | 0 | 116.1 | ||
| 327 | G | 37.7 | Very low | 56.2 | Low | 79 Ų | 79 | 86 Ų | 86 | 81% | 0.814 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -12.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | P325 | P325-G327 PolarHBondContact O-N 3.17Š|
| 328 | S | 39.4 | Very low | 54.6 | Low | 77 Ų | 77 | 89.3 Ų | 89.3 | 54% | 0.538 | 53% | 0.531 | S | S | . | . | trans | -113.1 | 13.1 | -172.6 | 67 | 0 | 0 | 0 | 0 | 115.2 | T330 | S328-T330 VanDerWaalsContact C-N 3.3Å; S328-T330 PolarHBondContact O-N 3.48Å | ||
| 329 | A | 35.6 | Very low | 53.9 | Low | 66 Ų | 66 | 86.3 Ų | 86.3 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | trans | -71.5 | 74.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 330 | T | 38.3 | Very low | 53.5 | Low | 107 Ų | 107 | 86.3 Ų | 86.3 | 66% | 0.656 | 52% | 0.518 | S | S | * | . | trans | -62.9 | 145.4 | 154.1 | 50 | 0 | 0 | 0 | 0 | 109.5 | S328 G332 S333 | S328-T330 VanDerWaalsContact C-N 3.3Å; S328-T330 PolarHBondContact O-N 3.48Å; T330-G332 PolarHBondContact O-N 3.08Å; T330-S333 WeakPolarHBondContact O-CB 3.46Å; T330-S333 PolarHBondContact O-N 3.46Å | ||
| 331 | L | 37.8 | Very low | 53.3 | Low | 189 Ų | 189 | 85.8 Ų | 85.8 | 99% | 0.99 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 2.8 | -159.2 | -152.9 | 67.6 | 0 | 0 | 0 | 116.2 | ||
| 332 | G | 37.9 | Very low | 53.3 | Low | 60 Ų | 60 | 88.5 Ų | 88.5 | 62% | 0.619 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 2.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115 | T330 | T330-G332 PolarHBondContact O-N 3.08Š|
| 333 | S | 45.8 | Very low | 53.9 | Low | 43 Ų | 43 | 82.5 Ų | 82.5 | 30% | 0.301 | 51% | 0.506 | S | S | . | . | trans | -79.1 | -25.4 | -171.1 | -156.4 | 0 | 0 | 0 | 0 | 114.2 | T330 T335 K336 | T330-S333 WeakPolarHBondContact O-CB 3.46Å; T330-S333 PolarHBondContact O-N 3.46Å; S333-T335 PolarHBondContact O-N 2.9Å; S333-T335 VanDerWaalsContact O-N 3.11Å; S333-K336 PolarHBondContact O-N 3Å; S333-K336 VanDerWaalsContact O-N 3.07Å | ||
| 334 | H | 48.9 | Very low | 55.5 | Low | 141 Ų | 141 | 76.9 Ų | 76.9 | 65% | 0.653 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -58.2 | -29.9 | -172.9 | -88.3 | -54.7 | 0 | 0 | 0 | 114.9 | K336 C337 | H334-K336 VanDerWaalsContact C-N 3.29Å; H334-K336 PolarHBondContact O-N 3.15Å; H334-C337 PolarHBondContact O-N 3.18Å |
| 335 | T | 48.7 | Very low | 57.7 | Low | 101 Ų | 101 | 74.7 Ų | 74.7 | 62% | 0.62 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -57 | -44.4 | 176.6 | -44.6 | 0 | 0 | 0 | 0 | 111.4 | S333 C337 L338 E339 | S333-T335 PolarHBondContact O-N 2.9Å; S333-T335 VanDerWaalsContact O-N 3.11Å; T335-C337 VanDerWaalsContact C-N 3.27Å; T335-C337 PolarHBondContact O-N 2.98Å; T335-L338 PolarHBondContact O-N 3.33Å; T335-E339 WeakPolarHBondContact O-CG 3.31Å; T335-E339 PolarHBondContact O-N 2.66Å |
| 336 | K | 52 | Low | 60.1 | Low | 152 Ų | 152 | 73.6 Ų | 73.6 | 66% | 0.661 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -64.7 | -28.3 | -174.7 | -65.7 | -169.5 | 170.5 | -169.2 | 0 | 113.8 | S333 H334 L338 | S333-K336 PolarHBondContact O-N 3Å; S333-K336 VanDerWaalsContact O-N 3.07Å; H334-K336 VanDerWaalsContact C-N 3.29Å; H334-K336 PolarHBondContact O-N 3.15Å; K336-L338 PolarHBondContact O-N 3.01Å |
| 337 | C | 51.1 | Low | 62.7 | Low | 49 Ų | 49 | 67.7 Ų | 67.7 | 33% | 0.331 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -75.6 | -7.4 | -177.3 | -161.7 | 0 | 0 | 0 | 0 | 113.5 | H334 T335 | H334-C337 PolarHBondContact O-N 3.18Å; T335-C337 VanDerWaalsContact C-N 3.27Å; T335-C337 PolarHBondContact O-N 2.98Å |
| 338 | L | 61.5 | Low | 65.2 | Low | 79 Ų | 79 | 63.9 Ų | 63.9 | 41% | 0.414 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -132.9 | 9 | -178.3 | -68.3 | 172.6 | 0 | 0 | 0 | 113.3 | T335 K336 T341 V342 | T335-L338 PolarHBondContact O-N 3.33Å; K336-L338 PolarHBondContact O-N 3.01Å; L338-T341 PolarHBondContact O-N 3.48Å; L338-T341 PolarHBondContact O-OG1 3.01Å; L338-V342 HydrophobicContact CB-CG2 4.21Å; L338-V342 WeakPolarHBondContact O-CB 3.48Å; L338-V342 VanDerWaalsContact O-CG2 3.27Å; L338-V342 WeakPolarHBondContact O-CG2 3.42Å; L338-V342 PolarHBondContact O-N 3.42Å |
| 339 | E | 74.6 | Confident | 67.4 | Low | 71 Ų | 71 | 64.2 Ų | 64.2 | 33% | 0.332 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -55.3 | -46.6 | -177.1 | -72.8 | -177.3 | -158.8 | 0 | 0 | 113.8 | N289 T335 T341 V342 A343 | N289-E339 PolarHBondContact ND2-OE2 2.92Å; T335-E339 WeakPolarHBondContact O-CG 3.31Å; T335-E339 PolarHBondContact O-N 2.66Å; E339-T341 PolarHBondContact O-N 3.38Å; E339-V342 PolarHBondContact O-N 3.35Å; E339-A343 WeakPolarHBondContact O-CB 3.47Å; E339-A343 PolarHBondContact O-N 3.01Å |
| 340 | P | 82.6 | Confident | 69.8 | Low | 24 Ų | 24 | 64.7 Ų | 64.7 | 16% | 0.156 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.9 | -42.6 | -176.1 | -19.5 | 32.3 | 0 | 0 | 0 | 112.9 | L285 M320 A343 L344 | L285-P340 HydrophobicContact CB-CB 4.41Å; M320-P340 HydrophobicContact CE-CB 3.51Å; M320-P340 HydrophobicContact CE-CG 4.25Å; M320-P340 HydrophobicContact SD-CB 4.07Å; P340-A343 WeakPolarHBondContact O-CB 3.4Å; P340-A343 PolarHBondContact O-N 3.32Å; P340-L344 WeakPolarHBondContact O-CG 3.2Å; P340-L344 PolarHBondContact O-N 3.04Å; P340-L344 VanDerWaalsContact O-N 3.08Å |
| 341 | T | 86.2 | Confident | 72.1 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -72.3 | -33.9 | -179.2 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | M320 F321 L338 E339 L344 L345 F385 | M320-T341 HydrophobicContact CB-CG2 4.44Å; M320-T341 WeakPolarHBondContact O-CG2 3.32Å; M320-T341 HydrophobicContact SD-CG2 4.3Å; F321-T341 HydrophobicContact CE1-CG2 4.42Å; L338-T341 PolarHBondContact O-N 3.48Å; L338-T341 PolarHBondContact O-OG1 3.01Å; E339-T341 PolarHBondContact O-N 3.38Å; T341-L344 PolarHBondContact O-N 2.95Å; T341-L345 WeakPolarHBondContact O-CG 3.26Å; T341-L345 PolarHBondContact O-N 2.94Å; T341-F385 HydrophobicContact CG2-CD2 4.45Å; T341-F385 HydrophobicContact CG2-CE1 4.34Å; T341-F385 HydrophobicContact CG2-CE2 4.27Å; T341-F385 HydrophobicContact CG2-CZ 4.21Å |
| 342 | V | 87.1 | Confident | 74.1 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.5 | -35.7 | 170.3 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | L338 E339 L345 R346 | L338-V342 HydrophobicContact CB-CG2 4.21Å; L338-V342 WeakPolarHBondContact O-CB 3.48Å; L338-V342 VanDerWaalsContact O-CG2 3.27Å; L338-V342 WeakPolarHBondContact O-CG2 3.42Å; L338-V342 PolarHBondContact O-N 3.42Å; E339-V342 PolarHBondContact O-N 3.35Å; V342-L345 PolarHBondContact O-N 2.83Å; V342-R346 PolarHBondContact O-N 2.93Å |
| 343 | A | 88.8 | Confident | 75.3 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L288 E339 P340 R346 W347 | L288-A343 HydrophobicContact CB-CB 3.82Å; E339-A343 WeakPolarHBondContact O-CB 3.47Å; E339-A343 PolarHBondContact O-N 3.01Å; P340-A343 WeakPolarHBondContact O-CB 3.4Å; P340-A343 PolarHBondContact O-N 3.32Å; A343-R346 WeakPolarHBondContact O-CB 3.39Å; A343-R346 PolarHBondContact O-N 3.24Å; A343-W347 PolarHBondContact O-N 3.09Å |
| 344 | L | 91.6 | Very high | 75.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 173.5 | -65.3 | 178.8 | 0 | 0 | 0 | 112.5 | L288 L300 M320 P340 T341 R346 W347 L348 A362 L365 F366 | L288-L344 HydrophobicContact CD1-CD2 3.83Å; L288-L344 HydrophobicContact CD1-CG 4.37Å; L300-L344 HydrophobicContact CD2-CD2 3.4Å; L300-L344 VanDerWaalsContact CD2-CD2 3.4Å; M320-L344 HydrophobicContact SD-CD1 4.2Å; P340-L344 WeakPolarHBondContact O-CG 3.2Å; P340-L344 PolarHBondContact O-N 3.04Å; P340-L344 VanDerWaalsContact O-N 3.08Å; T341-L344 PolarHBondContact O-N 2.95Å; L344-R346 VanDerWaalsContact C-N 3.26Å; L344-R346 PolarHBondContact O-N 3.38Å; L344-W347 WeakPolarHBondContact O-CB 3.45Å; L344-W347 PolarHBondContact O-N 3.31Å; L344-L348 PolarHBondContact O-N 3.44Å; L344-A362 HydrophobicContact CD2-CB 4.37Å; L344-L365 HydrophobicContact CD1-CD2 4.03Å; L344-L365 HydrophobicContact CD2-CD2 3.89Å; L344-F366 HydrophobicContact CB-CE1 4.12Å; L344-F366 HydrophobicContact CB-CE2 3.8Å; L344-F366 HydrophobicContact CB-CZ 3.38Å; L344-F366 HydrophobicContact CD1-CD1 4.49Å; L344-F366 HydrophobicContact CD1-CE1 3.93Å; L344-F366 HydrophobicContact CD1-CZ 4.04Å; L344-F366 HydrophobicContact CG-CZ 4.36Å |
| 345 | L | 90.6 | Very high | 76.2 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -56.1 | -40.1 | 174.9 | -75.6 | 172.3 | 0 | 0 | 0 | 112.3 | T341 V342 W347 L348 S349 F385 L388 L389 T392 | T341-L345 WeakPolarHBondContact O-CG 3.26Å; T341-L345 PolarHBondContact O-N 2.94Å; V342-L345 PolarHBondContact O-N 2.83Å; L345-W347 PolarHBondContact O-N 3.16Å; L345-L348 HydrophobicContact CD2-CD1 4.44Å; L345-L348 WeakPolarHBondContact O-CB 3.46Å; L345-L348 PolarHBondContact O-N 2.93Å; L345-S349 PolarHBondContact O-N 2.9Å; L345-S349 PolarHBondContact O-OG 3.43Å; L345-F385 HydrophobicContact CD1-CE2 3.85Å; L345-F385 HydrophobicContact CD1-CZ 4.24Å; L345-F385 HydrophobicContact CG-CE2 4.35Å; L345-F385 HydrophobicContact CG-CZ 4.25Å; L345-L388 HydrophobicContact CD1-CD2 3.99Å; L345-L388 HydrophobicContact CD1-CG 4.03Å; L345-L389 HydrophobicContact CD2-CD1 3.45Å; L345-L389 VanDerWaalsContact CD2-CD1 3.45Å; L345-T392 HydrophobicContact CD2-CG2 4.06Å |
| 346 | R | 89.4 | Confident | 76.9 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 29% | 0.287 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61 | -31 | 176.9 | -170.7 | -169.3 | 66.7 | 172.2 | 5.2 | 112.6 | L288 N289 G290 V342 A343 L344 S349 Q350 | L288-R346 PolarHBondContact O-NH2 3.39Å; N289-R346 PolarHBondContact O-NH1 3.17Å; G290-R346 PolarHBondContact O-NH2 3.32Å; V342-R346 PolarHBondContact O-N 2.93Å; A343-R346 WeakPolarHBondContact O-CB 3.39Å; A343-R346 PolarHBondContact O-N 3.24Å; L344-R346 VanDerWaalsContact C-N 3.26Å; L344-R346 PolarHBondContact O-N 3.38Å; R346-S349 PolarHBondContact O-N 2.87Å; R346-Q350 PolarHBondContact O-NE2 3.07Å |
| 347 | W | 90.5 | Very high | 78.3 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -75.1 | -26.5 | 174.4 | -64.4 | 116.4 | 0 | 0 | 0 | 112.9 | L288 P293 S296 A343 L344 L345 S349 Q350 C358 S359 A362 | L288-W347 PolarHBondContact O-NE1 3.49Å; P293-W347 HydrophobicContact CB-CZ3 4.22Å; P293-W347 HydrophobicContact CG-CZ3 4.4Å; S296-W347 WeakPolarHBondContact OG-CZ2 3.4Å; A343-W347 PolarHBondContact O-N 3.09Å; L344-W347 WeakPolarHBondContact O-CB 3.45Å; L344-W347 PolarHBondContact O-N 3.31Å; L345-W347 PolarHBondContact O-N 3.16Å; W347-S349 VanDerWaalsContact C-N 3.32Å; W347-Q350 HydrophobicContact CE3-CG 3.85Å; W347-Q350 HydrophobicContact CZ3-CG 4.31Å; W347-C358 HydrophobicContact CB-CB 4.21Å; W347-C358 HydrophobicContact CD2-CB 3.9Å; W347-C358 HydrophobicContact CE3-CB 3.57Å; W347-C358 HydrophobicContact CG-CB 4.17Å; W347-C358 HydrophobicContact CZ3-CB 4.29Å; W347-S359 WeakPolarHBondContact O-CB 3.47Å; W347-S359 PolarHBondContact O-OG 3.03Å; W347-A362 HydrophobicContact CB-CB 4.2Å |
| 348 | L | 90.3 | Very high | 80.2 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.6 | -25.2 | 170.1 | -55.9 | -167.1 | 0 | 0 | 0 | 113.2 | L344 L345 Q350 A362 L363 F366 L389 T392 I393 Q396 R415 | L344-L348 PolarHBondContact O-N 3.44Å; L345-L348 HydrophobicContact CD2-CD1 4.44Å; L345-L348 WeakPolarHBondContact O-CB 3.46Å; L345-L348 PolarHBondContact O-N 2.93Å; L348-Q350 VanDerWaalsContact C-N 3.35Å; L348-A362 HydrophobicContact CD2-CB 3.89Å; L348-L363 HydrophobicContact CD1-CD2 3.97Å; L348-L363 HydrophobicContact CD2-CD1 4.43Å; L348-L363 HydrophobicContact CD2-CD2 3.66Å; L348-L363 HydrophobicContact CD2-CG 3.59Å; L348-L363 HydrophobicContact CG-CD2 4.49Å; L348-F366 HydrophobicContact CD1-CD2 4.1Å; L348-F366 HydrophobicContact CD1-CE2 3.71Å; L348-F366 HydrophobicContact CD2-CE2 4.45Å; L348-F366 HydrophobicContact CG-CE2 4.09Å; L348-L389 HydrophobicContact CD1-CD1 4.03Å; L348-T392 HydrophobicContact CB-CG2 3.74Å; L348-T392 HydrophobicContact CD1-CG2 4.04Å; L348-I393 HydrophobicContact CD1-CG1 4.27Å; L348-Q396 PolarHBondContact O-NE2 2.97Å; L348-Q396 PolarHBondContact O-OE1 3.04Å; L348-R415 PolarHBondContact O-NH2 3.13Å |
| 349 | S | 86.4 | Confident | 81.6 | Confident | 84 Ų | 84 | 42.9 Ų | 42.9 | 59% | 0.587 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 5.9 | 178 | -53.9 | 0 | 0 | 0 | 0 | 114.5 | L345 R346 W347 | L345-S349 PolarHBondContact O-N 2.9Å; L345-S349 PolarHBondContact O-OG 3.43Å; R346-S349 PolarHBondContact O-N 2.87Å; W347-S349 VanDerWaalsContact C-N 3.32Å |
| 350 | Q | 86.6 | Confident | 82.5 | Confident | 76 Ų | 76 | 39.7 Ų | 39.7 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -78 | 146.5 | 177.6 | -63.4 | -48.6 | -59.5 | 0 | 0 | 112.2 | R346 W347 L348 R415 | R346-Q350 PolarHBondContact O-NE2 3.07Å; W347-Q350 HydrophobicContact CE3-CG 3.85Å; W347-Q350 HydrophobicContact CZ3-CG 4.31Å; L348-Q350 VanDerWaalsContact C-N 3.35Å; Q350-R415 PolarHBondContact O-NH1 3.31Å; Q350-R415 PolarHBondContact O-NH2 3.35Å |
| 351 | P | 85.5 | Confident | 83.1 | Confident | 89 Ų | 89 | 39.6 Ų | 39.6 | 58% | 0.578 | 23% | 0.23 | S | C | * | . | trans | -64.2 | 163.2 | 176.8 | 29.1 | -36.4 | 0 | 0 | 0 | 112.1 | D353 | P351-D353 VanDerWaalsContact C-N 3.33Å; P351-D353 PolarHBondContact O-N 2.82Å | ||
| 352 | L | 79.8 | Confident | 83.6 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -28.4 | -179.9 | -171.7 | 66.6 | 0 | 0 | 0 | 113.4 | G354 L404 L408 K411 K412 | L352-G354 PolarHBondContact O-N 2.96Å; L352-L404 HydrophobicContact CD2-CD1 3.99Å; L352-L404 HydrophobicContact CD2-CD2 3.73Å; L352-L408 HydrophobicContact CD2-CB 4.09Å; L352-L408 HydrophobicContact CG-CD2 4.44Å; L352-K411 HydrophobicContact CD1-CB 4.28Å; L352-K411 HydrophobicContact CD1-CG 4.1Å; L352-K412 HydrophobicContact CD1-CB 4.06Å; L352-K412 HydrophobicContact CD1-CD 4.34Å; L352-K412 HydrophobicContact CD2-CB 3.94Å; L352-K412 HydrophobicContact CD2-CD 4.32Å |
| 353 | D | 62.4 | Low | 84 | Confident | 126 Ų | 126 | 36 Ų | 36 | 67% | 0.674 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -4.3 | -172.9 | -70.3 | -18.3 | 0 | 0 | 0 | 115.5 | P351 | P351-D353 VanDerWaalsContact C-N 3.33Å; P351-D353 PolarHBondContact O-N 2.82Å |
| 354 | G | 60.3 | Low | 84.4 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 27% | 0.268 | 22% | 0.218 | S | C | . | . | trans | -67.9 | 141.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | L352 E356 K411 | L352-G354 PolarHBondContact O-N 2.96Å; G354-E356 PolarHBondContact O-N 2.81Å; G354-K411 PolarHBondContact O-NZ 3.35Å | ||
| 355 | S | 54.4 | Low | 84.7 | Confident | 92 Ų | 92 | 38.3 Ų | 38.3 | 64% | 0.643 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -62.7 | -25.1 | 175.4 | -5.5 | 0 | 0 | 0 | 0 | 111.6 | K411 | S355-K411 PolarHBondContact O-NZ 2.9Š|
| 356 | E | 62.8 | Low | 85 | Confident | 46 Ų | 46 | 37.4 Ų | 37.4 | 22% | 0.215 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -100.2 | 153.6 | -159.5 | -42 | 75.3 | -150.9 | 0 | 0 | 111.6 | P293 G354 K411 | P293-E356 HydrophobicContact CB-CB 4.1Å; P293-E356 HydrophobicContact CB-CG 3.69Å; G354-E356 PolarHBondContact O-N 2.81Å; E356-K411 PolarHBondContact O-NZ 3.18Å |
| 357 | N | 81.9 | Confident | 85.3 | Confident | 61 Ų | 61 | 36.1 Ų | 36.1 | 33% | 0.326 | 21% | 0.21 | S | C | . | . | trans | -97 | 18.4 | -171.6 | -80.5 | 5.3 | 0 | 0 | 0 | 114.1 | S359 V360 L361 K411 | N357-S359 VanDerWaalsContact C-N 3.25Å; N357-S359 PolarHBondContact O-N 3.22Å; N357-S359 VanDerWaalsContact O-N 3.08Å; N357-V360 HydrophobicContact CB-CB 4.48Å; N357-V360 WeakPolarHBondContact O-CA 3.39Å; N357-V360 WeakPolarHBondContact O-CB 3.42Å; N357-V360 PolarHBondContact O-N 3.28Å; N357-L361 HydrophobicContact CB-CD1 4.32Å; N357-L361 HydrophobicContact CB-CG 4.37Å; N357-L361 WeakPolarHBondContact O-CG 3.4Å; N357-L361 PolarHBondContact O-N 3.15Å; N357-K411 WeakPolarHBondContact OD1-CE 3.26Å; N357-K411 PolarHBondContact OD1-NZ 3.35Å; N357-K411 VanDerWaalsContact OD1-NZ 3.14Å | ||
| 358 | C | 90.4 | Very high | 85.7 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.034 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -51 | -38.3 | -176.1 | -58.2 | 0 | 0 | 0 | 0 | 114.3 | P293 S297 L300 W347 A362 | P293-C358 PolarHBondContact O-SG 3.27Å; S297-C358 PolarHBondContact N-SG 3.38Å; L300-C358 HydrophobicContact CD1-CB 3.96Å; W347-C358 HydrophobicContact CB-CB 4.21Å; W347-C358 HydrophobicContact CD2-CB 3.9Å; W347-C358 HydrophobicContact CE3-CB 3.57Å; W347-C358 HydrophobicContact CG-CB 4.17Å; W347-C358 HydrophobicContact CZ3-CB 4.29Å; C358-A362 WeakPolarHBondContact O-CB 3.39Å; C358-A362 PolarHBondContact O-N 2.94Å |
| 359 | S | 91.9 | Very high | 86 | Confident | 10 Ų | 10 | 38 Ų | 38 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.3 | -33.3 | 177.3 | -47.5 | 0 | 0 | 0 | 0 | 113.2 | W347 N357 L363 R415 | W347-S359 WeakPolarHBondContact O-CB 3.47Å; W347-S359 PolarHBondContact O-OG 3.03Å; N357-S359 VanDerWaalsContact C-N 3.25Å; N357-S359 PolarHBondContact O-N 3.22Å; N357-S359 VanDerWaalsContact O-N 3.08Å; S359-L363 WeakPolarHBondContact O-CD1 3.49Å; S359-L363 VanDerWaalsContact O-CG 3.26Å; S359-L363 WeakPolarHBondContact O-CG 3.41Å; S359-L363 PolarHBondContact O-N 3.43Å; S359-R415 PolarHBondContact OG-NH1 3.44Å |
| 360 | V | 93.6 | Very high | 86.4 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.024 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -73.2 | -51.6 | 177 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | N357 A362 L363 E364 E414 R415 K418 | N357-V360 HydrophobicContact CB-CB 4.48Å; N357-V360 WeakPolarHBondContact O-CA 3.39Å; N357-V360 WeakPolarHBondContact O-CB 3.42Å; N357-V360 PolarHBondContact O-N 3.28Å; V360-A362 VanDerWaalsContact C-N 3.29Å; V360-A362 PolarHBondContact O-N 3.42Å; V360-L363 WeakPolarHBondContact O-CB 3.41Å; V360-L363 PolarHBondContact O-N 3.5Å; V360-E364 PolarHBondContact O-N 2.95Å; V360-E414 HydrophobicContact CG1-CG 4.02Å; V360-E414 HydrophobicContact CG2-CG 4.33Å; V360-R415 HydrophobicContact CG2-CB 4.35Å; V360-K418 HydrophobicContact CG1-CG 3.93Å |
| 361 | L | 95.3 | Very high | 86.9 | Confident | 22 Ų | 22 | 33.2 Ų | 33.2 | 12% | 0.115 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.2 | -34.8 | 179.7 | -60.8 | 166 | 0 | 0 | 0 | 112.5 | S297 L300 E301 L304 N357 L365 | S297-L361 VanDerWaalsContact OG-CD1 3.27Å; S297-L361 WeakPolarHBondContact OG-CD1 3.49Å; L300-L361 HydrophobicContact CB-CB 3.78Å; L300-L361 HydrophobicContact CB-CD1 4.21Å; L300-L361 HydrophobicContact CD1-CB 4.11Å; E301-L361 HydrophobicContact CG-CD1 3.96Å; E301-L361 HydrophobicContact CG-CD2 4.15Å; L304-L361 HydrophobicContact CD1-CB 4.13Å; L304-L361 HydrophobicContact CD1-CD2 3.64Å; N357-L361 HydrophobicContact CB-CD1 4.32Å; N357-L361 HydrophobicContact CB-CG 4.37Å; N357-L361 WeakPolarHBondContact O-CG 3.4Å; N357-L361 PolarHBondContact O-N 3.15Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 PolarHBondContact O-N 3.33Å |
| 362 | A | 95.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.3 | -35.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L344 W347 L348 C358 V360 L365 F366 | L344-A362 HydrophobicContact CD2-CB 4.37Å; W347-A362 HydrophobicContact CB-CB 4.2Å; L348-A362 HydrophobicContact CD2-CB 3.89Å; C358-A362 WeakPolarHBondContact O-CB 3.39Å; C358-A362 PolarHBondContact O-N 2.94Å; V360-A362 VanDerWaalsContact C-N 3.29Å; V360-A362 PolarHBondContact O-N 3.42Å; A362-L365 PolarHBondContact O-N 3.48Å; A362-F366 WeakPolarHBondContact O-CD2 3.24Å; A362-F366 WeakPolarHBondContact O-CG 3.43Å; A362-F366 PolarHBondContact O-N 2.7Å |
| 363 | L | 96.3 | Very high | 88.1 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.9 | -40.2 | 173.1 | -70 | 166.9 | 0 | 0 | 0 | 111.4 | L348 S359 V360 L365 F366 K367 I393 R415 K418 A419 V422 | L348-L363 HydrophobicContact CD1-CD2 3.97Å; L348-L363 HydrophobicContact CD2-CD1 4.43Å; L348-L363 HydrophobicContact CD2-CD2 3.66Å; L348-L363 HydrophobicContact CD2-CG 3.59Å; L348-L363 HydrophobicContact CG-CD2 4.49Å; S359-L363 WeakPolarHBondContact O-CD1 3.49Å; S359-L363 VanDerWaalsContact O-CG 3.26Å; S359-L363 WeakPolarHBondContact O-CG 3.41Å; S359-L363 PolarHBondContact O-N 3.43Å; V360-L363 WeakPolarHBondContact O-CB 3.41Å; V360-L363 PolarHBondContact O-N 3.5Å; L363-L365 VanDerWaalsContact C-N 3.34Å; L363-F366 PolarHBondContact O-N 3.26Å; L363-K367 PolarHBondContact O-N 3.2Å; L363-I393 HydrophobicContact CD2-CG1 4.27Å; L363-R415 HydrophobicContact CD1-CG 4.14Å; L363-R415 VanDerWaalsContact CD1-O 3.3Å; L363-R415 WeakPolarHBondContact CD1-O 3.4Å; L363-K418 HydrophobicContact CB-CB 3.71Å; L363-K418 HydrophobicContact CD1-CB 4.08Å; L363-A419 HydrophobicContact CD1-CB 4.01Å; L363-A419 HydrophobicContact CD2-CB 4.24Å; L363-V422 HydrophobicContact CB-CG2 4.48Å; L363-V422 HydrophobicContact CD2-CG2 4.48Å; L363-V422 WeakPolarHBondContact O-CG2 3.46Å |
| 364 | E | 96.8 | Very high | 89.7 | Confident | 51 Ų | 51 | 24.8 Ų | 24.8 | 24% | 0.238 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 171.9 | -68.7 | -177.4 | 130.7 | 0 | 0 | 111.5 | L304 V360 F366 K367 E368 K418 | L304-E364 HydrophobicContact CD1-CB 4.17Å; L304-E364 HydrophobicContact CD2-CB 3.81Å; V360-E364 PolarHBondContact O-N 2.95Å; E364-F366 PolarHBondContact O-N 3.04Å; E364-K367 WeakPolarHBondContact O-CB 3.39Å; E364-K367 PolarHBondContact O-N 3.33Å; E364-K367 VanDerWaalsContact O-N 3.15Å; E364-E368 PolarHBondContact O-N 3.01Å; E364-K418 HydrophobicContact CG-CD 3.76Å; E364-K418 HydrophobicContact CG-CG 4.11Å; E364-K418 WeakPolarHBondContact OE1-CE 3.44Å; E364-K418 IonicContact OE1-NZ 3.02Å; E364-K418 PolarHBondContact OE1-NZ 3.2Å |
| 365 | L | 97.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.9 | -37.6 | 178.6 | -173.9 | 61.5 | 0 | 0 | 0 | 111.9 | L300 L303 L304 L316 L344 L361 A362 L363 I369 | L300-L365 HydrophobicContact CD2-CD2 4.03Å; L303-L365 HydrophobicContact CB-CD1 3.96Å; L303-L365 HydrophobicContact CB-CD2 3.85Å; L303-L365 HydrophobicContact CD1-CD2 3.85Å; L303-L365 HydrophobicContact CG-CD2 4.48Å; L304-L365 HydrophobicContact CD2-CB 4.09Å; L304-L365 HydrophobicContact CD2-CD1 4.28Å; L304-L365 HydrophobicContact CG-CB 4.5Å; L316-L365 HydrophobicContact CD2-CD1 4.11Å; L344-L365 HydrophobicContact CD1-CD2 4.03Å; L344-L365 HydrophobicContact CD2-CD2 3.89Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 PolarHBondContact O-N 3.33Å; A362-L365 PolarHBondContact O-N 3.48Å; L363-L365 VanDerWaalsContact C-N 3.34Å; L365-I369 HydrophobicContact CD1-CG2 4.47Å; L365-I369 WeakPolarHBondContact O-CG1 3.47Å; L365-I369 PolarHBondContact O-N 2.76Å; L365-I369 VanDerWaalsContact O-N 3.14Å |
| 366 | F | 97 | Very high | 93 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 170.3 | -78.7 | -53.3 | 0 | 0 | 0 | 111.6 | L344 L348 A362 L363 E364 E368 I369 F370 F385 L389 V422 | L344-F366 HydrophobicContact CB-CE1 4.12Å; L344-F366 HydrophobicContact CB-CE2 3.8Å; L344-F366 HydrophobicContact CB-CZ 3.38Å; L344-F366 HydrophobicContact CD1-CD1 4.49Å; L344-F366 HydrophobicContact CD1-CE1 3.93Å; L344-F366 HydrophobicContact CD1-CZ 4.04Å; L344-F366 HydrophobicContact CG-CZ 4.36Å; L348-F366 HydrophobicContact CD1-CD2 4.1Å; L348-F366 HydrophobicContact CD1-CE2 3.71Å; L348-F366 HydrophobicContact CD2-CE2 4.45Å; L348-F366 HydrophobicContact CG-CE2 4.09Å; A362-F366 WeakPolarHBondContact O-CD2 3.24Å; A362-F366 WeakPolarHBondContact O-CG 3.43Å; A362-F366 PolarHBondContact O-N 2.7Å; L363-F366 PolarHBondContact O-N 3.26Å; E364-F366 PolarHBondContact O-N 3.04Å; F366-E368 PolarHBondContact O-N 3.07Å; F366-I369 HydrophobicContact CD1-CD1 4.14Å; F366-I369 WeakPolarHBondContact O-CG1 3.38Å; F366-I369 PolarHBondContact O-N 3.2Å; F366-F370 HydrophobicContact CB-CD2 4.28Å; F366-F370 HydrophobicContact CB-CE2 4.08Å; F366-F370 AromaticContact CD1-CE2 3.92Å; F366-F370 HydrophobicContact CD1-CE2 3.92Å; F366-F370 HydrophobicContact CG-CE2 4.35Å; F366-F370 WeakPolarHBondContact O-CD2 3.42Å; F366-F370 PolarHBondContact O-N 3.29Å; F366-F385 HydrophobicContact CD1-CE1 4.18Å; F366-F385 AromaticContact CE1-CE1 3.52Å; F366-F385 HydrophobicContact CE1-CE1 3.52Å; F366-F385 AromaticContact CE1-CZ 3.66Å; F366-F385 HydrophobicContact CE1-CZ 3.66Å; F366-F385 HydrophobicContact CZ-CE1 4.29Å; F366-F385 AromaticContact CZ-CZ 3.99Å; F366-F385 HydrophobicContact CZ-CZ 3.99Å; F366-L389 HydrophobicContact CD1-CD2 4.05Å; F366-L389 HydrophobicContact CD2-CD1 4.13Å; F366-L389 HydrophobicContact CE1-CD1 4.22Å; F366-L389 HydrophobicContact CE1-CD2 4.31Å; F366-L389 HydrophobicContact CE2-CD1 3.8Å; F366-L389 HydrophobicContact CG-CD1 4.48Å; F366-L389 HydrophobicContact CG-CD2 4.28Å; F366-L389 HydrophobicContact CZ-CD1 3.84Å; F366-V422 HydrophobicContact CB-CG1 4.26Å; F366-V422 HydrophobicContact CB-CG2 4.1Å |
| 367 | K | 97.3 | Very high | 94.1 | Very high | 49 Ų | 49 | 28.2 Ų | 28.2 | 21% | 0.213 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56 | -52.6 | 177.6 | -179 | -157.6 | 173.2 | -178.7 | 0 | 110.8 | L363 E364 I369 F370 E371 E421 V422 T425 | L363-K367 PolarHBondContact O-N 3.2Å; E364-K367 WeakPolarHBondContact O-CB 3.39Å; E364-K367 PolarHBondContact O-N 3.33Å; E364-K367 VanDerWaalsContact O-N 3.15Å; K367-I369 PolarHBondContact O-N 3.18Å; K367-F370 PolarHBondContact O-N 3.1Å; K367-E371 WeakPolarHBondContact O-CB 3.42Å; K367-E371 PolarHBondContact O-N 3.16Å; K367-E421 HydrophobicContact CD-CB 4.12Å; K367-E421 WeakPolarHBondContact CE-OE2 3.44Å; K367-E421 IonicContact NZ-OE2 2.63Å; K367-E421 PolarHBondContact NZ-OE2 2.92Å; K367-V422 HydrophobicContact CB-CG2 3.99Å; K367-T425 HydrophobicContact CG-CG2 3.73Å |
| 368 | E | 97.8 | Very high | 94.3 | Very high | 47 Ų | 47 | 30 Ų | 30 | 22% | 0.22 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | -179 | -72.5 | -61.8 | 145.1 | 0 | 0 | 112.7 | L304 C307 R313 E364 F366 D372 | L304-E368 HydrophobicContact CD2-CG 4.21Å; C307-E368 HydrophobicContact CB-CB 3.87Å; C307-E368 HydrophobicContact CB-CG 3.8Å; R313-E368 WeakPolarHBondContact CD-OE2 3.46Å; R313-E368 IonicContact CZ-OE2 3.27Å; R313-E368 IonicContact NH1-OE2 3.19Å; R313-E368 PolarHBondContact NH1-OE2 3.3Å; E364-E368 PolarHBondContact O-N 3.01Å; F366-E368 PolarHBondContact O-N 3.07Å; E368-D372 WeakPolarHBondContact O-CB 3.32Å; E368-D372 PolarHBondContact O-N 3.31Å |
| 369 | I | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.9 | -27.8 | -178.7 | 68.7 | -178.5 | 0 | 0 | 0 | 113.1 | T317 M320 F321 L365 F366 K367 V373 | T317-I369 HydrophobicContact CG2-CB 4.46Å; M320-I369 HydrophobicContact CB-CD1 4.14Å; M320-I369 HydrophobicContact CG-CD1 3.79Å; M320-I369 HydrophobicContact CG-CG2 4.44Å; F321-I369 HydrophobicContact CE2-CB 4.34Å; F321-I369 HydrophobicContact CE2-CD1 4.07Å; F321-I369 HydrophobicContact CE2-CG1 4.17Å; F321-I369 HydrophobicContact CZ-CD1 3.64Å; F321-I369 HydrophobicContact CZ-CG1 4.03Å; L365-I369 HydrophobicContact CD1-CG2 4.47Å; L365-I369 WeakPolarHBondContact O-CG1 3.47Å; L365-I369 PolarHBondContact O-N 2.76Å; L365-I369 VanDerWaalsContact O-N 3.14Å; F366-I369 HydrophobicContact CD1-CD1 4.14Å; F366-I369 WeakPolarHBondContact O-CG1 3.38Å; F366-I369 PolarHBondContact O-N 3.2Å; K367-I369 PolarHBondContact O-N 3.18Å; I369-V373 VanDerWaalsContact O-CG2 3.29Å; I369-V373 WeakPolarHBondContact O-CG2 3.29Å; I369-V373 PolarHBondContact O-N 3.36Å |
| 370 | F | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -77.8 | -36.4 | 173.8 | -72.1 | -58.3 | 0 | 0 | 0 | 112.8 | F321 F366 K367 D372 V373 I374 A382 F385 V386 L389 V422 L426 | F321-F370 HydrophobicContact CE1-CE1 4.45Å; F321-F370 HydrophobicContact CZ-CD1 4.41Å; F321-F370 AromaticContact CZ-CE1 3.87Å; F321-F370 HydrophobicContact CZ-CE1 3.87Å; F321-F370 HydrophobicContact CZ-CZ 4.23Å; F366-F370 HydrophobicContact CB-CD2 4.28Å; F366-F370 HydrophobicContact CB-CE2 4.08Å; F366-F370 AromaticContact CD1-CE2 3.92Å; F366-F370 HydrophobicContact CD1-CE2 3.92Å; F366-F370 HydrophobicContact CG-CE2 4.35Å; F366-F370 WeakPolarHBondContact O-CD2 3.42Å; F366-F370 PolarHBondContact O-N 3.29Å; K367-F370 PolarHBondContact O-N 3.1Å; F370-D372 VanDerWaalsContact C-N 3.29Å; F370-V373 PolarHBondContact O-N 3.44Å; F370-I374 WeakPolarHBondContact O-CB 3.23Å; F370-I374 WeakPolarHBondContact O-CD1 3.39Å; F370-I374 VanDerWaalsContact O-CG1 3.24Å; F370-I374 WeakPolarHBondContact O-CG1 3.19Å; F370-I374 PolarHBondContact O-N 2.89Å; F370-I374 VanDerWaalsContact O-N 3.08Å; F370-A382 HydrophobicContact CD1-CB 4.45Å; F370-A382 HydrophobicContact CE1-CB 4.09Å; F370-F385 AromaticContact CZ-CD1 3.94Å; F370-F385 HydrophobicContact CZ-CD1 3.94Å; F370-F385 HydrophobicContact CZ-CE1 4.04Å; F370-V386 HydrophobicContact CD1-CG2 4.22Å; F370-V386 HydrophobicContact CE1-CG2 3.46Å; F370-V386 VanDerWaalsContact CE1-CG2 3.46Å; F370-V386 HydrophobicContact CZ-CG2 3.89Å; F370-L389 HydrophobicContact CD2-CD2 4.46Å; F370-L389 HydrophobicContact CE2-CD2 3.27Å; F370-L389 HydrophobicContact CZ-CD2 3.49Å; F370-L389 VanDerWaalsContact CZ-CD2 3.49Å; F370-V422 HydrophobicContact CD2-CG1 3.96Å; F370-V422 HydrophobicContact CE2-CG1 4.32Å; F370-L426 HydrophobicContact CB-CD2 4.07Å; F370-L426 HydrophobicContact CB-CG 4.49Å; F370-L426 HydrophobicContact CD1-CD2 3.7Å; F370-L426 HydrophobicContact CD2-CD2 4.1Å; F370-L426 HydrophobicContact CD2-CG 4.36Å; F370-L426 HydrophobicContact CE1-CD2 4.16Å; F370-L426 HydrophobicContact CG-CD2 3.68Å; F370-L426 HydrophobicContact CG-CG 4.29Å |
| 371 | E | 96.6 | Very high | 93.5 | Very high | 60 Ų | 60 | 36.9 Ų | 36.9 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.4 | -48.2 | 169.5 | -166.5 | 178.3 | 99.9 | 0 | 0 | 109.7 | R313 K367 V373 I374 D375 T425 | R313-E371 IonicContact CZ-OE1 3.17Å; R313-E371 IonicContact NH1-OE1 3.89Å; R313-E371 PolarHBondContact NH1-OE1 3.37Å; R313-E371 IonicContact NH2-OE1 2.94Å; K367-E371 WeakPolarHBondContact O-CB 3.42Å; K367-E371 PolarHBondContact O-N 3.16Å; E371-V373 PolarHBondContact O-N 3.37Å; E371-I374 PolarHBondContact O-N 3.06Å; E371-I374 VanDerWaalsContact O-N 3.17Å; E371-D375 WeakPolarHBondContact O-CB 3.35Å; E371-D375 VanDerWaalsContact O-CG 3.29Å; E371-D375 PolarHBondContact O-N 3Å; E371-T425 HydrophobicContact CB-CG2 4.5Å |
| 372 | D | 96.4 | Very high | 93.2 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.011 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.3 | -39 | 177.5 | -156.4 | 66.4 | 0 | 0 | 0 | 114.6 | R313 H314 T317 E368 F370 I374 A376 | R313-D372 HydrophobicContact CG-CB 3.99Å; R313-D372 IonicContact CZ-OD1 2.64Å; R313-D372 IonicContact NE-OD1 2.72Å; R313-D372 PolarHBondContact NE-OD1 3.46Å; R313-D372 IonicContact NH2-OD1 2.85Å; R313-D372 PolarHBondContact NH2-OD1 2.87Å; H314-D372 VanDerWaalsContact CA-OD2 3.29Å; H314-D372 WeakPolarHBondContact CA-OD2 3.4Å; H314-D372 IonicContact CE1-OD1 2.64Å; H314-D372 PolarHBondContact CE1-OD1 3.37Å; H314-D372 IonicContact CE1-OD2 2.66Å; H314-D372 IonicContact CG-OD2 3.54Å; H314-D372 PolarHBondContact N-OD2 2.96Å; H314-D372 IonicContact ND1-OD1 3.81Å; H314-D372 PolarHBondContact ND1-OD1 3.09Å; H314-D372 IonicContact ND1-OD2 2.91Å; H314-D372 PolarHBondContact ND1-OD2 3.37Å; T317-D372 VanDerWaalsContact CB-OD2 3.23Å; T317-D372 WeakPolarHBondContact CB-OD2 3.45Å; T317-D372 HydrophobicContact CG2-CB 4.16Å; T317-D372 WeakPolarHBondContact OG1-CB 3.31Å; T317-D372 PolarHBondContact OG1-OD2 3.11Å; E368-D372 WeakPolarHBondContact O-CB 3.32Å; E368-D372 PolarHBondContact O-N 3.31Å; F370-D372 VanDerWaalsContact C-N 3.29Å; D372-I374 VanDerWaalsContact C-N 3.31Å; D372-I374 PolarHBondContact O-N 2.89Å; D372-A376 WeakPolarHBondContact O-CB 3.4Å; D372-A376 PolarHBondContact O-N 3.43Å |
| 373 | V | 94.8 | Very high | 92.9 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.03 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -40.4 | 173.2 | 162.7 | 0 | 0 | 0 | 0 | 111.7 | T317 F321 I369 F370 E371 A377 N378 A382 | T317-V373 HydrophobicContact CG2-CG2 3.46Å; T317-V373 VanDerWaalsContact CG2-CG2 3.46Å; F321-V373 HydrophobicContact CD2-CG2 3.73Å; F321-V373 HydrophobicContact CE2-CG2 3.57Å; I369-V373 VanDerWaalsContact O-CG2 3.29Å; I369-V373 WeakPolarHBondContact O-CG2 3.29Å; I369-V373 PolarHBondContact O-N 3.36Å; F370-V373 PolarHBondContact O-N 3.44Å; E371-V373 PolarHBondContact O-N 3.37Å; V373-A377 PolarHBondContact O-N 2.89Å; V373-N378 PolarHBondContact O-N 2.93Å; V373-A382 HydrophobicContact CG1-CB 4.04Å; V373-A382 HydrophobicContact CG2-CB 4.19Å |
| 374 | I | 94.8 | Very high | 92.5 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 20% | 0.195 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.9 | -45.8 | -176.7 | -67.6 | 168.6 | 0 | 0 | 0 | 110 | F370 E371 D372 A376 A377 T425 D429 L432 | F370-I374 WeakPolarHBondContact O-CB 3.23Å; F370-I374 WeakPolarHBondContact O-CD1 3.39Å; F370-I374 VanDerWaalsContact O-CG1 3.24Å; F370-I374 WeakPolarHBondContact O-CG1 3.19Å; F370-I374 PolarHBondContact O-N 2.89Å; F370-I374 VanDerWaalsContact O-N 3.08Å; E371-I374 PolarHBondContact O-N 3.06Å; E371-I374 VanDerWaalsContact O-N 3.17Å; D372-I374 VanDerWaalsContact C-N 3.31Å; D372-I374 PolarHBondContact O-N 2.89Å; I374-A376 VanDerWaalsContact C-N 3.25Å; I374-A376 PolarHBondContact O-N 2.93Å; I374-A377 PolarHBondContact O-N 3.46Å; I374-T425 WeakPolarHBondContact CD1-O 3.45Å; I374-D429 HydrophobicContact CD1-CB 4.27Å; I374-D429 HydrophobicContact CG1-CB 4.18Å; I374-L432 HydrophobicContact CD1-CD1 4.4Å; I374-L432 HydrophobicContact CG1-CD1 4.47Å |
| 375 | D | 93.4 | Very high | 92.2 | Very high | 112 Ų | 112 | 44.9 Ų | 44.9 | 60% | 0.599 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -56.7 | -39.5 | 173.5 | -72 | -23.6 | 0 | 0 | 0 | 111.7 | R313 E371 A377 | R313-D375 IonicContact NH2-OD2 3.68Å; R313-D375 PolarHBondContact NH2-OD2 3.08Å; E371-D375 WeakPolarHBondContact O-CB 3.35Å; E371-D375 VanDerWaalsContact O-CG 3.29Å; E371-D375 PolarHBondContact O-N 3Å; D375-A377 VanDerWaalsContact C-N 3.32Å |
| 376 | A | 91.1 | Very high | 92 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 33% | 0.331 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 5.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | D372 I374 N378 | D372-A376 WeakPolarHBondContact O-CB 3.4Å; D372-A376 PolarHBondContact O-N 3.43Å; I374-A376 VanDerWaalsContact C-N 3.25Å; I374-A376 PolarHBondContact O-N 2.93Å; A376-N378 PolarHBondContact O-N 3.37Å; A376-N378 VanDerWaalsContact O-N 3.15Å; A376-N378 PolarHBondContact O-ND2 3.33Å |
| 377 | A | 85.8 | Confident | 91.7 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 69% | 0.694 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 26.2 | -180 | 0 | 0 | 0 | 0 | 0 | 116 | V373 I374 D375 | V373-A377 PolarHBondContact O-N 2.89Å; I374-A377 PolarHBondContact O-N 3.46Å; D375-A377 VanDerWaalsContact C-N 3.32Å |
| 378 | N | 86.4 | Confident | 91.5 | Very high | 98 Ų | 98 | 50.3 Ų | 50.3 | 52% | 0.524 | 28% | 0.283 | S | S | . | . | trans | -100.5 | 23.6 | -174.6 | -78 | -59.1 | 0 | 0 | 0 | 113.9 | V373 A376 S380 S381 | V373-N378 PolarHBondContact O-N 2.93Å; A376-N378 PolarHBondContact O-N 3.37Å; A376-N378 VanDerWaalsContact O-N 3.15Å; A376-N378 PolarHBondContact O-ND2 3.33Å; N378-S380 PolarHBondContact O-N 3.5Å; N378-S381 PolarHBondContact O-N 3Å | ||
| 379 | C | 87.1 | Confident | 91.3 | Very high | 15 Ų | 15 | 48.1 Ų | 48.1 | 10% | 0.101 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -48.3 | -36.8 | -172.2 | -55 | 0 | 0 | 0 | 0 | 114.8 | S381 A382 D383 D429 L432 | C379-S381 PolarHBondContact O-N 3.13Å; C379-A382 PolarHBondContact O-N 2.91Å; C379-A382 VanDerWaalsContact O-N 3.13Å; C379-D383 PolarHBondContact O-N 3.42Å; C379-D429 PolarHBondContact SG-OD1 2.91Å; C379-L432 HydrophobicContact CB-CD1 4.44Å |
| 380 | S | 86.1 | Confident | 91.3 | Very high | 108 Ų | 108 | 48.1 Ų | 48.1 | 76% | 0.755 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.5 | -22.1 | -179.1 | 57.9 | 0 | 0 | 0 | 0 | 114.7 | N378 | N378-S380 PolarHBondContact O-N 3.5Å |
| 381 | S | 86.1 | Confident | 91.2 | Very high | 42 Ų | 42 | 51.5 Ų | 51.5 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -74.1 | -38 | 174.1 | -163.4 | 0 | 0 | 0 | 0 | 111.8 | F321 Q323 N378 C379 | F321-S381 PolarHBondContact O-OG 2.97Å; Q323-S381 PolarHBondContact NE2-O 3.29Å; N378-S381 PolarHBondContact O-N 3Å; C379-S381 PolarHBondContact O-N 3.13Å |
| 382 | A | 89.2 | Confident | 91.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -90 | -23.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F321 F370 V373 C379 R384 F385 V386 | F321-A382 HydrophobicContact CD1-CB 4.24Å; F321-A382 HydrophobicContact CD2-CB 4.17Å; F321-A382 HydrophobicContact CE1-CB 4.23Å; F321-A382 HydrophobicContact CE2-CB 4.14Å; F321-A382 HydrophobicContact CG-CB 4.22Å; F321-A382 HydrophobicContact CZ-CB 4.17Å; F370-A382 HydrophobicContact CD1-CB 4.45Å; F370-A382 HydrophobicContact CE1-CB 4.09Å; V373-A382 HydrophobicContact CG1-CB 4.04Å; V373-A382 HydrophobicContact CG2-CB 4.19Å; C379-A382 PolarHBondContact O-N 2.91Å; C379-A382 VanDerWaalsContact O-N 3.13Å; A382-R384 VanDerWaalsContact C-N 3.28Å; A382-R384 PolarHBondContact O-N 3.44Å; A382-R384 VanDerWaalsContact O-N 3.16Å; A382-F385 CarbonylContact O-C 3.55Å; A382-F385 WeakPolarHBondContact O-CA 3.44Å; A382-F385 WeakPolarHBondContact O-CB 3.35Å; A382-F385 PolarHBondContact O-N 2.95Å; A382-V386 PolarHBondContact O-N 3.38Å |
| 383 | D | 88.6 | Confident | 91 | Very high | 44 Ų | 44 | 50.1 Ų | 50.1 | 24% | 0.235 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -43.8 | -47.3 | 179.3 | 179.5 | 83.4 | 0 | 0 | 0 | 114.1 | C379 F385 V386 T387 L432 H435 | C379-D383 PolarHBondContact O-N 3.42Å; D383-F385 VanDerWaalsContact C-N 3.27Å; D383-F385 PolarHBondContact O-N 2.9Å; D383-V386 PolarHBondContact O-N 3.06Å; D383-T387 PolarHBondContact O-N 2.95Å; D383-T387 VanDerWaalsContact O-N 3.17Å; D383-L432 HydrophobicContact CB-CD2 4.19Å; D383-H435 IonicContact OD1-CE1 3.16Å; D383-H435 PolarHBondContact OD1-CE1 2.94Å; D383-H435 IonicContact OD1-ND1 2.75Å; D383-H435 PolarHBondContact OD1-ND1 2.9Å; D383-H435 IonicContact OD1-NE2 3.74Å |
| 384 | R | 87.3 | Confident | 91 | Very high | 185 Ų | 185 | 50.8 Ų | 50.8 | 70% | 0.698 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60 | -35 | 176.9 | -177.4 | 177.4 | 179 | 176.7 | 1.2 | 113.1 | A382 | A382-R384 VanDerWaalsContact C-N 3.28Å; A382-R384 PolarHBondContact O-N 3.44Å; A382-R384 VanDerWaalsContact O-N 3.16Å |
| 385 | F | 91 | Very high | 91 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 6% | 0.057 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -82 | -34.5 | 176.9 | 176 | -107.2 | 0 | 0 | 0 | 112.2 | F321 T341 L345 F366 F370 A382 D383 T387 L388 L389 | F321-F385 HydrophobicContact CE1-CB 4.36Å; F321-F385 AromaticContact CE1-CD1 3.68Å; F321-F385 HydrophobicContact CE1-CD1 3.68Å; F321-F385 HydrophobicContact CE1-CE1 4.4Å; F321-F385 HydrophobicContact CE1-CG 4.25Å; F321-F385 HydrophobicContact CZ-CD1 4.48Å; T341-F385 HydrophobicContact CG2-CD2 4.45Å; T341-F385 HydrophobicContact CG2-CE1 4.34Å; T341-F385 HydrophobicContact CG2-CE2 4.27Å; T341-F385 HydrophobicContact CG2-CZ 4.21Å; L345-F385 HydrophobicContact CD1-CE2 3.85Å; L345-F385 HydrophobicContact CD1-CZ 4.24Å; L345-F385 HydrophobicContact CG-CE2 4.35Å; L345-F385 HydrophobicContact CG-CZ 4.25Å; F366-F385 HydrophobicContact CD1-CE1 4.18Å; F366-F385 AromaticContact CE1-CE1 3.52Å; F366-F385 HydrophobicContact CE1-CE1 3.52Å; F366-F385 AromaticContact CE1-CZ 3.66Å; F366-F385 HydrophobicContact CE1-CZ 3.66Å; F366-F385 HydrophobicContact CZ-CE1 4.29Å; F366-F385 AromaticContact CZ-CZ 3.99Å; F366-F385 HydrophobicContact CZ-CZ 3.99Å; F370-F385 AromaticContact CZ-CD1 3.94Å; F370-F385 HydrophobicContact CZ-CD1 3.94Å; F370-F385 HydrophobicContact CZ-CE1 4.04Å; A382-F385 CarbonylContact O-C 3.55Å; A382-F385 WeakPolarHBondContact O-CA 3.44Å; A382-F385 WeakPolarHBondContact O-CB 3.35Å; A382-F385 PolarHBondContact O-N 2.95Å; D383-F385 VanDerWaalsContact C-N 3.27Å; D383-F385 PolarHBondContact O-N 2.9Å; F385-T387 PolarHBondContact O-N 2.99Å; F385-L388 HydrophobicContact CD2-CB 4.38Å; F385-L388 HydrophobicContact CD2-CD2 4.21Å; F385-L388 HydrophobicContact CE2-CD2 4.21Å; F385-L388 WeakPolarHBondContact O-CA 3.05Å; F385-L388 WeakPolarHBondContact O-CB 3.42Å; F385-L388 PolarHBondContact O-N 3.35Å; F385-L389 HydrophobicContact CD1-CB 4.43Å; F385-L389 HydrophobicContact CE1-CB 3.94Å; F385-L389 HydrophobicContact CE1-CD2 3.86Å; F385-L389 HydrophobicContact CE1-CG 4.33Å; F385-L389 HydrophobicContact CZ-CB 3.99Å; F385-L389 HydrophobicContact CZ-CD1 4.32Å; F385-L389 HydrophobicContact CZ-CD2 4.46Å; F385-L389 HydrophobicContact CZ-CG 4.49Å; F385-L389 WeakPolarHBondContact O-CB 3.24Å; F385-L389 PolarHBondContact O-N 2.88Å |
| 386 | V | 93.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.8 | -39.3 | 173.4 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | F370 A382 D383 L388 L389 L390 L426 L432 | F370-V386 HydrophobicContact CD1-CG2 4.22Å; F370-V386 HydrophobicContact CE1-CG2 3.46Å; F370-V386 VanDerWaalsContact CE1-CG2 3.46Å; F370-V386 HydrophobicContact CZ-CG2 3.89Å; A382-V386 PolarHBondContact O-N 3.38Å; D383-V386 PolarHBondContact O-N 3.06Å; V386-L388 VanDerWaalsContact C-N 3.28Å; V386-L388 PolarHBondContact O-N 3.37Å; V386-L389 PolarHBondContact O-N 3.36Å; V386-L390 HydrophobicContact CG1-CD1 3.7Å; V386-L390 HydrophobicContact CG1-CD2 4.46Å; V386-L390 HydrophobicContact CG1-CG 3.82Å; V386-L390 VanDerWaalsContact O-CG 3.32Å; V386-L390 WeakPolarHBondContact O-CG 3.32Å; V386-L390 PolarHBondContact O-N 3.32Å; V386-L426 HydrophobicContact CG1-CD1 4.43Å; V386-L426 HydrophobicContact CG1-CD2 4.38Å; V386-L426 HydrophobicContact CG2-CD2 3.83Å; V386-L432 HydrophobicContact CB-CD2 4.28Å; V386-L432 HydrophobicContact CG1-CD2 4.34Å; V386-L432 HydrophobicContact CG2-CD2 4.05Å |
| 387 | T | 91.1 | Very high | 91.1 | Very high | 77 Ų | 77 | 47 Ų | 47 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.8 | -32.7 | 172.7 | -67.2 | 0 | 0 | 0 | 0 | 113.9 | D383 F385 | D383-T387 PolarHBondContact O-N 2.95Å; D383-T387 VanDerWaalsContact O-N 3.17Å; F385-T387 PolarHBondContact O-N 2.99Å |
| 388 | L | 91.2 | Very high | 91.3 | Very high | 87 Ų | 87 | 45.7 Ų | 45.7 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -82.1 | -35.2 | 175.8 | 179.1 | 62.9 | 0 | 0 | 0 | 112.4 | L345 F385 V386 | L345-L388 HydrophobicContact CD1-CD2 3.99Å; L345-L388 HydrophobicContact CD1-CG 4.03Å; F385-L388 HydrophobicContact CD2-CB 4.38Å; F385-L388 HydrophobicContact CD2-CD2 4.21Å; F385-L388 HydrophobicContact CE2-CD2 4.21Å; F385-L388 WeakPolarHBondContact O-CA 3.05Å; F385-L388 WeakPolarHBondContact O-CB 3.42Å; F385-L388 PolarHBondContact O-N 3.35Å; V386-L388 VanDerWaalsContact C-N 3.28Å; V386-L388 PolarHBondContact O-N 3.37Å |
| 389 | L | 94.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -77.4 | -40.3 | -174.9 | 174.9 | 65.9 | 0 | 0 | 0 | 113.7 | L345 L348 F366 F370 F385 V386 T392 I393 | L345-L389 HydrophobicContact CD2-CD1 3.45Å; L345-L389 VanDerWaalsContact CD2-CD1 3.45Å; L348-L389 HydrophobicContact CD1-CD1 4.03Å; F366-L389 HydrophobicContact CD1-CD2 4.05Å; F366-L389 HydrophobicContact CD2-CD1 4.13Å; F366-L389 HydrophobicContact CE1-CD1 4.22Å; F366-L389 HydrophobicContact CE1-CD2 4.31Å; F366-L389 HydrophobicContact CE2-CD1 3.8Å; F366-L389 HydrophobicContact CG-CD1 4.48Å; F366-L389 HydrophobicContact CG-CD2 4.28Å; F366-L389 HydrophobicContact CZ-CD1 3.84Å; F370-L389 HydrophobicContact CD2-CD2 4.46Å; F370-L389 HydrophobicContact CE2-CD2 3.27Å; F370-L389 HydrophobicContact CZ-CD2 3.49Å; F370-L389 VanDerWaalsContact CZ-CD2 3.49Å; F385-L389 HydrophobicContact CD1-CB 4.43Å; F385-L389 HydrophobicContact CE1-CB 3.94Å; F385-L389 HydrophobicContact CE1-CD2 3.86Å; F385-L389 HydrophobicContact CE1-CG 4.33Å; F385-L389 HydrophobicContact CZ-CB 3.99Å; F385-L389 HydrophobicContact CZ-CD1 4.32Å; F385-L389 HydrophobicContact CZ-CD2 4.46Å; F385-L389 HydrophobicContact CZ-CG 4.49Å; F385-L389 WeakPolarHBondContact O-CB 3.24Å; F385-L389 PolarHBondContact O-N 2.88Å; V386-L389 PolarHBondContact O-N 3.36Å; L389-T392 PolarHBondContact O-N 2.97Å; L389-I393 HydrophobicContact CD1-CD1 3.82Å; L389-I393 HydrophobicContact CD1-CG1 3.77Å; L389-I393 HydrophobicContact CD2-CD1 3.68Å; L389-I393 HydrophobicContact CG-CD1 3.57Å; L389-I393 HydrophobicContact CG-CG1 3.89Å; L389-I393 PolarHBondContact O-N 3.44Å |
| 390 | L | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.1 | -44.3 | -172.1 | -78.5 | 174.7 | 0 | 0 | 0 | 113.9 | V386 T392 I393 L394 L423 L426 H435 I436 I439 | V386-L390 HydrophobicContact CG1-CD1 3.7Å; V386-L390 HydrophobicContact CG1-CD2 4.46Å; V386-L390 HydrophobicContact CG1-CG 3.82Å; V386-L390 VanDerWaalsContact O-CG 3.32Å; V386-L390 WeakPolarHBondContact O-CG 3.32Å; V386-L390 PolarHBondContact O-N 3.32Å; L390-T392 VanDerWaalsContact C-N 3.3Å; L390-T392 PolarHBondContact O-N 2.86Å; L390-I393 PolarHBondContact O-N 3.12Å; L390-L394 WeakPolarHBondContact O-CB 3.2Å; L390-L394 VanDerWaalsContact O-CG 3.23Å; L390-L394 WeakPolarHBondContact O-CG 3.47Å; L390-L394 PolarHBondContact O-N 3.48Å; L390-L423 HydrophobicContact CD2-CD2 3.49Å; L390-L423 VanDerWaalsContact CD2-CD2 3.49Å; L390-L426 HydrophobicContact CD2-CD1 4.23Å; L390-H435 HydrophobicContact CD1-CB 3.79Å; L390-I436 HydrophobicContact CD1-CG1 4.2Å; L390-I436 HydrophobicContact CD2-CG1 3.75Å; L390-I439 HydrophobicContact CB-CD1 4.37Å; L390-I439 HydrophobicContact CD1-CD1 4.29Å |
| 391 | P | 94.9 | Very high | 91 | Very high | 71 Ų | 71 | 43 Ų | 43 | 46% | 0.461 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.8 | -40.9 | 175.1 | -26 | 35.8 | 0 | 0 | 0 | 113.5 | L394 D395 | P391-L394 PolarHBondContact O-N 3.5Å; P391-D395 PolarHBondContact O-N 3.44Å |
| 392 | T | 93.8 | Very high | 90.6 | Very high | 33 Ų | 33 | 49 Ų | 49 | 20% | 0.202 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.7 | -36 | -179.1 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | L345 L348 L389 L390 Q396 | L345-T392 HydrophobicContact CD2-CG2 4.06Å; L348-T392 HydrophobicContact CB-CG2 3.74Å; L348-T392 HydrophobicContact CD1-CG2 4.04Å; L389-T392 PolarHBondContact O-N 2.97Å; L390-T392 VanDerWaalsContact C-N 3.3Å; L390-T392 PolarHBondContact O-N 2.86Å; T392-Q396 WeakPolarHBondContact O-CG 3.14Å; T392-Q396 PolarHBondContact O-NE2 2.85Å |
| 393 | I | 95.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 171.5 | -71.9 | -175.1 | 0 | 0 | 0 | 110.6 | L348 L363 L389 L390 D395 Q396 A419 V422 L423 | L348-I393 HydrophobicContact CD1-CG1 4.27Å; L363-I393 HydrophobicContact CD2-CG1 4.27Å; L389-I393 HydrophobicContact CD1-CD1 3.82Å; L389-I393 HydrophobicContact CD1-CG1 3.77Å; L389-I393 HydrophobicContact CD2-CD1 3.68Å; L389-I393 HydrophobicContact CG-CD1 3.57Å; L389-I393 HydrophobicContact CG-CG1 3.89Å; L389-I393 PolarHBondContact O-N 3.44Å; L390-I393 PolarHBondContact O-N 3.12Å; I393-D395 VanDerWaalsContact C-N 3.26Å; I393-D395 PolarHBondContact O-N 3.03Å; I393-Q396 VanDerWaalsContact O-CB 3.31Å; I393-Q396 WeakPolarHBondContact O-CB 3.49Å; I393-Q396 WeakPolarHBondContact O-CG 3.47Å; I393-Q396 PolarHBondContact O-N 3.01Å; I393-A419 HydrophobicContact CG2-CB 4.22Å; I393-V422 HydrophobicContact CD1-CB 3.97Å; I393-V422 HydrophobicContact CD1-CG1 3.49Å; I393-V422 VanDerWaalsContact CD1-CG1 3.49Å; I393-V422 HydrophobicContact CD1-CG2 4.48Å; I393-L423 HydrophobicContact CG2-CD1 4.15Å; I393-L423 HydrophobicContact CG2-CD2 4.05Å; I393-L423 HydrophobicContact CG2-CG 3.96Å |
| 394 | L | 94.9 | Very high | 89.1 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -32 | 179.5 | -69.9 | 179.4 | 0 | 0 | 0 | 112.1 | L390 P391 Q396 L397 L423 I439 L440 K444 | L390-L394 WeakPolarHBondContact O-CB 3.2Å; L390-L394 VanDerWaalsContact O-CG 3.23Å; L390-L394 WeakPolarHBondContact O-CG 3.47Å; L390-L394 PolarHBondContact O-N 3.48Å; P391-L394 PolarHBondContact O-N 3.5Å; L394-Q396 PolarHBondContact O-N 2.94Å; L394-L397 HydrophobicContact CD2-CD1 3.92Å; L394-L397 WeakPolarHBondContact O-CB 3.41Å; L394-L397 PolarHBondContact O-N 2.95Å; L394-L397 VanDerWaalsContact O-N 3.12Å; L394-L423 HydrophobicContact CD2-CD1 4.09Å; L394-I439 HydrophobicContact CD1-CB 4.09Å; L394-I439 HydrophobicContact CD1-CG2 3.5Å; L394-I439 VanDerWaalsContact CD1-CG2 3.5Å; L394-L440 HydrophobicContact CD2-CB 4.32Å; L394-L440 HydrophobicContact CD2-CD1 3.89Å; L394-L440 HydrophobicContact CD2-CD2 4.5Å; L394-L440 HydrophobicContact CD2-CG 4.47Å; L394-K444 PolarHBondContact O-NZ 3.5Å |
| 395 | D | 93.7 | Very high | 88.7 | Confident | 96 Ų | 96 | 52.4 Ų | 52.4 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.9 | -25.1 | 173.6 | -168.1 | 50.2 | 0 | 0 | 0 | 113.4 | P391 I393 L397 Q398 | P391-D395 PolarHBondContact O-N 3.44Å; I393-D395 VanDerWaalsContact C-N 3.26Å; I393-D395 PolarHBondContact O-N 3.03Å; D395-L397 VanDerWaalsContact C-N 3.29Å; D395-L397 PolarHBondContact O-N 3.41Å; D395-Q398 VanDerWaalsContact O-CG 3.25Å; D395-Q398 WeakPolarHBondContact O-CG 3.44Å; D395-Q398 PolarHBondContact O-NE2 2.95Å; D395-Q398 PolarHBondContact OD1-NE2 3.35Å |
| 396 | Q | 92.8 | Very high | 88.2 | Confident | 9 Ų | 9 | 55.4 Ų | 55.4 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.7 | -28.1 | 173.8 | -45.5 | -54.3 | -60.9 | 0 | 0 | 112.3 | L348 T392 I393 L394 Q398 R415 I416 A419 | L348-Q396 PolarHBondContact O-NE2 2.97Å; L348-Q396 PolarHBondContact O-OE1 3.04Å; T392-Q396 WeakPolarHBondContact O-CG 3.14Å; T392-Q396 PolarHBondContact O-NE2 2.85Å; I393-Q396 VanDerWaalsContact O-CB 3.31Å; I393-Q396 WeakPolarHBondContact O-CB 3.49Å; I393-Q396 WeakPolarHBondContact O-CG 3.47Å; I393-Q396 PolarHBondContact O-N 3.01Å; L394-Q396 PolarHBondContact O-N 2.94Å; Q396-Q398 PolarHBondContact O-N 3.04Å; Q396-R415 VanDerWaalsContact OE1-CZ 3.28Å; Q396-I416 WeakPolarHBondContact O-CG1 3.5Å; Q396-A419 HydrophobicContact CB-CB 3.9Å; Q396-A419 HydrophobicContact CG-CB 4.33Å |
| 397 | L | 94.6 | Very high | 87.5 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -81.7 | 53.4 | -172.2 | -58.2 | -173.1 | 0 | 0 | 0 | 113 | L394 D395 I416 A419 I420 L423 K444 L448 | L394-L397 HydrophobicContact CD2-CD1 3.92Å; L394-L397 WeakPolarHBondContact O-CB 3.41Å; L394-L397 PolarHBondContact O-N 2.95Å; L394-L397 VanDerWaalsContact O-N 3.12Å; D395-L397 VanDerWaalsContact C-N 3.29Å; D395-L397 PolarHBondContact O-N 3.41Å; L397-I416 HydrophobicContact CD2-CG2 4.03Å; L397-A419 HydrophobicContact CD2-CB 3.65Å; L397-A419 HydrophobicContact CG-CB 4.48Å; L397-I420 HydrophobicContact CD2-CD1 4.43Å; L397-I420 HydrophobicContact CD2-CG1 3.68Å; L397-L423 HydrophobicContact CD1-CD1 3.69Å; L397-K444 VanDerWaalsContact O-CE 3.23Å; L397-K444 WeakPolarHBondContact O-CE 3.41Å; L397-K444 PolarHBondContact O-NZ 3.29Å; L397-L448 HydrophobicContact CB-CD2 4.24Å; L397-L448 HydrophobicContact CD2-CD2 4.39Å |
| 398 | Q | 90.1 | Very high | 87.2 | Confident | 56 Ų | 56 | 55.8 Ų | 55.8 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -167.4 | 141.2 | 177.7 | 48.4 | -174.5 | 12.5 | 0 | 0 | 111.2 | D395 Q396 T400 K412 | D395-Q398 VanDerWaalsContact O-CG 3.25Å; D395-Q398 WeakPolarHBondContact O-CG 3.44Å; D395-Q398 PolarHBondContact O-NE2 2.95Å; D395-Q398 PolarHBondContact OD1-NE2 3.35Å; Q396-Q398 PolarHBondContact O-N 3.04Å; Q398-T400 HydrophobicContact CG-CG2 4.03Å; Q398-K412 WeakPolarHBondContact O-CE 3.49Å; Q398-K412 PolarHBondContact O-NZ 3.26Å |
| 399 | F | 88.1 | Confident | 87 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 7% | 0.07 | 28% | 0.282 | C | S | . | . | trans | -80.7 | 124.5 | 161.3 | -69.3 | -98 | 0 | 0 | 0 | 109.4 | L404 I409 K412 I416 Q451 Q452 Y455 | F399-L404 HydrophobicContact CD1-CD1 4.48Å; F399-I409 HydrophobicContact CE1-CG2 4.26Å; F399-K412 HydrophobicContact CD1-CG 3.81Å; F399-K412 HydrophobicContact CE1-CB 4.13Å; F399-K412 HydrophobicContact CE1-CG 3.55Å; F399-K412 HydrophobicContact CZ-CG 4.14Å; F399-I416 HydrophobicContact CD2-CD1 4.15Å; F399-I416 HydrophobicContact CE2-CD1 3.72Å; F399-I416 HydrophobicContact CZ-CD1 4.04Å; F399-Q451 HydrophobicContact CD2-CB 3.79Å; F399-Q451 HydrophobicContact CD2-CG 4.41Å; F399-Q451 HydrophobicContact CE2-CB 4.27Å; F399-Q451 PolarHBondContact O-NE2 3.01Å; F399-Q452 HydrophobicContact CE2-CG 4.5Å; F399-Y455 HydrophobicContact CB-CD2 4.19Å; F399-Y455 HydrophobicContact CB-CE2 3.93Å; F399-Y455 HydrophobicContact CD1-CD2 4.09Å; F399-Y455 AromaticContact CD2-CD2 3.98Å; F399-Y455 HydrophobicContact CD2-CD2 3.98Å; F399-Y455 HydrophobicContact CD2-CE2 4.48Å; F399-Y455 HydrophobicContact CE1-CD2 4.44Å; F399-Y455 HydrophobicContact CE2-CD2 4.32Å; F399-Y455 AromaticContact CG-CD2 3.83Å; F399-Y455 HydrophobicContact CG-CD2 3.83Å; F399-Y455 HydrophobicContact CG-CE2 4.1Å | ||
| 400 | T | 84.3 | Confident | 86.7 | Confident | 93 Ų | 93 | 57.2 Ų | 57.2 | 57% | 0.571 | 30% | 0.299 | S | S | * | . | trans | -124 | -18.9 | 175.2 | 54.1 | 0 | 0 | 0 | 0 | 111.7 | Q398 | Q398-T400 HydrophobicContact CG-CG2 4.03Š| ||
| 401 | E | 81.9 | Confident | 86.4 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | trans | -80.8 | 135.5 | -177.7 | -51.2 | 90.3 | 151.6 | 0 | 0 | 111.5 | L404 K412 | E401-L404 HydrophobicContact CB-CD1 4.06Å; E401-L404 HydrophobicContact CB-CD2 3.64Å; E401-L404 HydrophobicContact CB-CG 3.9Å; E401-L404 HydrophobicContact CG-CD2 4.41Å; E401-K412 IonicContact OE1-NZ 3.73Å; E401-K412 PolarHBondContact OE1-NZ 3.41Å; E401-K412 WeakPolarHBondContact OE2-CE 3.31Å; E401-K412 IonicContact OE2-NZ 3.68Å; E401-K412 PolarHBondContact OE2-NZ 3.01Å | ||
| 402 | Q | 76.3 | Confident | 86.2 | Confident | 169 Ų | 169 | 55.9 Ų | 55.9 | 79% | 0.79 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -110.6 | 147.1 | -179.7 | -63.2 | -175.7 | 1.6 | 0 | 0 | 111.2 | ||
| 403 | N | 72.8 | Confident | 86.1 | Confident | 164 Ų | 164 | 54.3 Ų | 54.3 | 88% | 0.877 | 28% | 0.277 | S | S | * | . | S | Bend | trans | 59.1 | 40.8 | -179.5 | -48.6 | -66.2 | 0 | 0 | 0 | 113.9 | ||
| 404 | L | 74.9 | Confident | 86 | Confident | 37 Ų | 37 | 57.4 Ų | 57.4 | 19% | 0.194 | 29% | 0.291 | C | S | . | . | trans | -65.3 | 142.9 | 172.8 | -67.3 | -178.4 | 0 | 0 | 0 | 112.1 | L352 F399 E401 L408 I409 | L352-L404 HydrophobicContact CD2-CD1 3.99Å; L352-L404 HydrophobicContact CD2-CD2 3.73Å; F399-L404 HydrophobicContact CD1-CD1 4.48Å; E401-L404 HydrophobicContact CB-CD1 4.06Å; E401-L404 HydrophobicContact CB-CD2 3.64Å; E401-L404 HydrophobicContact CB-CG 3.9Å; E401-L404 HydrophobicContact CG-CD2 4.41Å; L404-L408 HydrophobicContact CB-CB 4.42Å; L404-L408 HydrophobicContact CD2-CB 4.06Å; L404-L408 HydrophobicContact CD2-CD1 4.27Å; L404-I409 HydrophobicContact CB-CD1 4.24Å; L404-I409 HydrophobicContact CB-CG1 3.54Å; L404-I409 HydrophobicContact CD1-CG1 3.99Å; L404-I409 HydrophobicContact CG-CG1 4.44Å | ||
| 405 | D | 78.1 | Confident | 86 | Confident | 100 Ų | 100 | 57.5 Ų | 57.5 | 54% | 0.535 | 29% | 0.29 | S | S | . | . | trans | -75.8 | 156.4 | 164.7 | 174.7 | 63.1 | 0 | 0 | 0 | 111.7 | A407 L408 I409 | D405-A407 VanDerWaalsContact C-N 3.27Å; D405-A407 PolarHBondContact O-N 3.44Å; D405-A407 WeakPolarHBondContact OD2-CB 3.35Å; D405-A407 PolarHBondContact OD2-N 2.91Å; D405-L408 HydrophobicContact CB-CD1 4.47Å; D405-L408 WeakPolarHBondContact O-CA 3.27Å; D405-L408 WeakPolarHBondContact O-CB 3.35Å; D405-L408 PolarHBondContact O-N 3.08Å; D405-I409 WeakPolarHBondContact O-CG1 3.42Å; D405-I409 PolarHBondContact O-N 3.19Å | ||
| 406 | E | 80.1 | Confident | 86.1 | Confident | 76 Ų | 76 | 53 Ų | 53 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.4 | -29 | -177.5 | -172.2 | 150.4 | 147.1 | 0 | 0 | 113.7 | R410 K457 L471 | E406-R410 WeakPolarHBondContact O-CG 3.44Å; E406-R410 PolarHBondContact O-N 3.49Å; E406-R410 PolarHBondContact O-NE 3.48Å; E406-K457 IonicContact OE2-NZ 2.67Å; E406-K457 PolarHBondContact OE2-NZ 3.46Å; E406-L471 HydrophobicContact CG-CD2 4.02Å |
| 407 | A | 80.3 | Confident | 86.3 | Confident | 38 Ų | 38 | 52.7 Ų | 52.7 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D405 R410 K411 | D405-A407 VanDerWaalsContact C-N 3.27Å; D405-A407 PolarHBondContact O-N 3.44Å; D405-A407 WeakPolarHBondContact OD2-CB 3.35Å; D405-A407 PolarHBondContact OD2-N 2.91Å; A407-R410 PolarHBondContact O-N 3.3Å; A407-K411 PolarHBondContact O-N 2.86Å; A407-K411 VanDerWaalsContact O-N 3.09Å |
| 408 | L | 83.6 | Confident | 86.4 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.6 | -37.3 | 178.1 | -63.4 | 174.5 | 0 | 0 | 0 | 112 | L352 L404 D405 R410 K411 K412 | L352-L408 HydrophobicContact CD2-CB 4.09Å; L352-L408 HydrophobicContact CG-CD2 4.44Å; L404-L408 HydrophobicContact CB-CB 4.42Å; L404-L408 HydrophobicContact CD2-CB 4.06Å; L404-L408 HydrophobicContact CD2-CD1 4.27Å; D405-L408 HydrophobicContact CB-CD1 4.47Å; D405-L408 WeakPolarHBondContact O-CA 3.27Å; D405-L408 WeakPolarHBondContact O-CB 3.35Å; D405-L408 PolarHBondContact O-N 3.08Å; L408-R410 VanDerWaalsContact C-N 3.34Å; L408-R410 PolarHBondContact O-N 3.05Å; L408-K411 PolarHBondContact O-N 2.86Å; L408-K412 WeakPolarHBondContact O-CB 3.34Å; L408-K412 PolarHBondContact O-N 3.38Å |
| 409 | I | 87.1 | Confident | 86.7 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 173.8 | -56.8 | 171.1 | 0 | 0 | 0 | 110 | F399 L404 D405 K411 K412 C413 L471 | F399-I409 HydrophobicContact CE1-CG2 4.26Å; L404-I409 HydrophobicContact CB-CD1 4.24Å; L404-I409 HydrophobicContact CB-CG1 3.54Å; L404-I409 HydrophobicContact CD1-CG1 3.99Å; L404-I409 HydrophobicContact CG-CG1 4.44Å; D405-I409 WeakPolarHBondContact O-CG1 3.42Å; D405-I409 PolarHBondContact O-N 3.19Å; I409-K411 PolarHBondContact O-N 3.39Å; I409-K412 WeakPolarHBondContact O-CB 3.25Å; I409-K412 PolarHBondContact O-N 2.89Å; I409-C413 PolarHBondContact O-N 3.44Å; I409-C413 PolarHBondContact O-SG 2.89Å; I409-L471 HydrophobicContact CB-CD1 4.21Å; I409-L471 HydrophobicContact CG2-CD1 3.5Å; I409-L471 HydrophobicContact CG2-CD2 4.25Å |
| 410 | R | 87.9 | Confident | 87.2 | Confident | 98 Ų | 98 | 50.9 Ų | 50.9 | 37% | 0.37 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.5 | -50.1 | 174.1 | -74 | -177.3 | -67.3 | 160.5 | 0.5 | 112 | E406 A407 L408 K412 C413 E414 L471 L474 | E406-R410 WeakPolarHBondContact O-CG 3.44Å; E406-R410 PolarHBondContact O-N 3.49Å; E406-R410 PolarHBondContact O-NE 3.48Å; A407-R410 PolarHBondContact O-N 3.3Å; L408-R410 VanDerWaalsContact C-N 3.34Å; L408-R410 PolarHBondContact O-N 3.05Å; R410-K412 VanDerWaalsContact C-N 3.27Å; R410-K412 PolarHBondContact O-N 2.87Å; R410-C413 PolarHBondContact O-N 3.42Å; R410-C413 VanDerWaalsContact O-N 3.15Å; R410-E414 PolarHBondContact O-N 2.96Å; R410-L471 HydrophobicContact CG-CB 3.84Å; R410-L471 HydrophobicContact CG-CD1 4.18Å; R410-L474 HydrophobicContact CB-CD1 3.96Å; R410-L474 HydrophobicContact CG-CD1 4.15Å |
| 411 | K | 88.4 | Confident | 87.8 | Confident | 34 Ų | 34 | 47.7 Ų | 47.7 | 15% | 0.148 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.8 | -34.4 | 176.8 | -171.1 | 168.9 | -177.1 | 167.8 | 0 | 112.7 | L352 G354 S355 E356 N357 A407 L408 I409 R415 | L352-K411 HydrophobicContact CD1-CB 4.28Å; L352-K411 HydrophobicContact CD1-CG 4.1Å; G354-K411 PolarHBondContact O-NZ 3.35Å; S355-K411 PolarHBondContact O-NZ 2.9Å; E356-K411 PolarHBondContact O-NZ 3.18Å; N357-K411 WeakPolarHBondContact OD1-CE 3.26Å; N357-K411 PolarHBondContact OD1-NZ 3.35Å; N357-K411 VanDerWaalsContact OD1-NZ 3.14Å; A407-K411 PolarHBondContact O-N 2.86Å; A407-K411 VanDerWaalsContact O-N 3.09Å; L408-K411 PolarHBondContact O-N 2.86Å; I409-K411 PolarHBondContact O-N 3.39Å; K411-R415 VanDerWaalsContact O-CB 3.3Å; K411-R415 WeakPolarHBondContact O-CB 3.43Å; K411-R415 PolarHBondContact O-N 2.92Å |
| 412 | K | 91.2 | Very high | 88.6 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.5 | -44.1 | 174.1 | -175.2 | 69.1 | -179 | -151.7 | 0 | 111.8 | L352 Q398 F399 E401 L408 I409 R410 R415 I416 | L352-K412 HydrophobicContact CD1-CB 4.06Å; L352-K412 HydrophobicContact CD1-CD 4.34Å; L352-K412 HydrophobicContact CD2-CB 3.94Å; L352-K412 HydrophobicContact CD2-CD 4.32Å; Q398-K412 WeakPolarHBondContact O-CE 3.49Å; Q398-K412 PolarHBondContact O-NZ 3.26Å; F399-K412 HydrophobicContact CD1-CG 3.81Å; F399-K412 HydrophobicContact CE1-CB 4.13Å; F399-K412 HydrophobicContact CE1-CG 3.55Å; F399-K412 HydrophobicContact CZ-CG 4.14Å; E401-K412 IonicContact OE1-NZ 3.73Å; E401-K412 PolarHBondContact OE1-NZ 3.41Å; E401-K412 WeakPolarHBondContact OE2-CE 3.31Å; E401-K412 IonicContact OE2-NZ 3.68Å; E401-K412 PolarHBondContact OE2-NZ 3.01Å; L408-K412 WeakPolarHBondContact O-CB 3.34Å; L408-K412 PolarHBondContact O-N 3.38Å; I409-K412 WeakPolarHBondContact O-CB 3.25Å; I409-K412 PolarHBondContact O-N 2.89Å; R410-K412 VanDerWaalsContact C-N 3.27Å; R410-K412 PolarHBondContact O-N 2.87Å; K412-R415 PolarHBondContact O-N 3.18Å; K412-I416 HydrophobicContact CD-CD1 4.39Å; K412-I416 HydrophobicContact CG-CD1 3.98Å; K412-I416 WeakPolarHBondContact O-CD1 3.38Å; K412-I416 VanDerWaalsContact O-CG1 3.26Å; K412-I416 WeakPolarHBondContact O-CG1 3.32Å; K412-I416 PolarHBondContact O-N 3.01Å |
| 413 | C | 93.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.3 | -65.3 | 0 | 0 | 0 | 0 | 112 | I409 R410 I416 A417 Q452 L474 V478 | I409-C413 PolarHBondContact O-N 3.44Å; I409-C413 PolarHBondContact O-SG 2.89Å; R410-C413 PolarHBondContact O-N 3.42Å; R410-C413 VanDerWaalsContact O-N 3.15Å; C413-I416 PolarHBondContact O-N 3.49Å; C413-A417 WeakPolarHBondContact O-CB 3.44Å; C413-A417 PolarHBondContact O-N 3.03Å; C413-Q452 PolarHBondContact SG-OE1 3.01Å; C413-Q452 VanDerWaalsContact SG-OE1 3.39Å; C413-L474 HydrophobicContact CB-CB 3.88Å; C413-V478 WeakPolarHBondContact O-CG2 3.45Å |
| 414 | E | 93.1 | Very high | 90.8 | Very high | 64 Ų | 64 | 30.3 Ų | 30.3 | 30% | 0.299 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -57.7 | -50.4 | 173.3 | 179.1 | -178.5 | -150.1 | 0 | 0 | 111.8 | V360 R410 I416 A417 K418 | V360-E414 HydrophobicContact CG1-CG 4.02Å; V360-E414 HydrophobicContact CG2-CG 4.33Å; R410-E414 PolarHBondContact O-N 2.96Å; E414-I416 VanDerWaalsContact C-N 3.3Å; E414-I416 PolarHBondContact O-N 3.34Å; E414-A417 WeakPolarHBondContact O-CB 3.39Å; E414-A417 PolarHBondContact O-N 3.49Å; E414-A417 VanDerWaalsContact O-N 3.11Å; E414-K418 PolarHBondContact O-N 2.97Å |
| 415 | R | 94 | Very high | 91.8 | Very high | 22 Ų | 22 | 29.7 Ų | 29.7 | 8% | 0.083 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.7 | -37.4 | 176.8 | -176.2 | 172.6 | 172.6 | 167.7 | -4.9 | 112.7 | L348 Q350 S359 V360 L363 Q396 K411 K412 A419 | L348-R415 PolarHBondContact O-NH2 3.13Å; Q350-R415 PolarHBondContact O-NH1 3.31Å; Q350-R415 PolarHBondContact O-NH2 3.35Å; S359-R415 PolarHBondContact OG-NH1 3.44Å; V360-R415 HydrophobicContact CG2-CB 4.35Å; L363-R415 HydrophobicContact CD1-CG 4.14Å; L363-R415 VanDerWaalsContact CD1-O 3.3Å; L363-R415 WeakPolarHBondContact CD1-O 3.4Å; Q396-R415 VanDerWaalsContact OE1-CZ 3.28Å; K411-R415 VanDerWaalsContact O-CB 3.3Å; K411-R415 WeakPolarHBondContact O-CB 3.43Å; K411-R415 PolarHBondContact O-N 2.92Å; K412-R415 PolarHBondContact O-N 3.18Å; R415-A419 WeakPolarHBondContact O-CB 3.34Å; R415-A419 PolarHBondContact O-N 3.4Å; R415-A419 VanDerWaalsContact O-N 3.16Å |
| 416 | I | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.5 | -45.1 | 172.8 | -69.8 | 163.7 | 0 | 0 | 0 | 110.9 | Q396 L397 F399 K412 C413 E414 K418 A419 I420 L448 V478 | Q396-I416 WeakPolarHBondContact O-CG1 3.5Å; L397-I416 HydrophobicContact CD2-CG2 4.03Å; F399-I416 HydrophobicContact CD2-CD1 4.15Å; F399-I416 HydrophobicContact CE2-CD1 3.72Å; F399-I416 HydrophobicContact CZ-CD1 4.04Å; K412-I416 HydrophobicContact CD-CD1 4.39Å; K412-I416 HydrophobicContact CG-CD1 3.98Å; K412-I416 WeakPolarHBondContact O-CD1 3.38Å; K412-I416 VanDerWaalsContact O-CG1 3.26Å; K412-I416 WeakPolarHBondContact O-CG1 3.32Å; K412-I416 PolarHBondContact O-N 3.01Å; C413-I416 PolarHBondContact O-N 3.49Å; E414-I416 VanDerWaalsContact C-N 3.3Å; E414-I416 PolarHBondContact O-N 3.34Å; I416-K418 PolarHBondContact O-N 2.96Å; I416-A419 PolarHBondContact O-N 2.86Å; I416-I420 HydrophobicContact CG2-CD1 3.91Å; I416-I420 WeakPolarHBondContact O-CG1 3.34Å; I416-I420 PolarHBondContact O-N 3.29Å; I416-L448 HydrophobicContact CD1-CD1 4.26Å; I416-L448 HydrophobicContact CG2-CD1 4.1Å; I416-L448 HydrophobicContact CG2-CD2 4.02Å; I416-V478 HydrophobicContact CB-CG2 4.44Å; I416-V478 HydrophobicContact CG2-CG1 3.54Å; I416-V478 HydrophobicContact CG2-CG2 4.16Å |
| 417 | A | 96.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 3% | 0.033 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58 | -46.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C413 E414 A419 I420 E421 V478 K481 | C413-A417 WeakPolarHBondContact O-CB 3.44Å; C413-A417 PolarHBondContact O-N 3.03Å; E414-A417 WeakPolarHBondContact O-CB 3.39Å; E414-A417 PolarHBondContact O-N 3.49Å; E414-A417 VanDerWaalsContact O-N 3.11Å; A417-A419 PolarHBondContact O-N 3.01Å; A417-I420 PolarHBondContact O-N 2.99Å; A417-E421 PolarHBondContact O-N 3.38Å; A417-V478 HydrophobicContact CB-CG2 3.83Å; A417-K481 HydrophobicContact CB-CD 4.27Å |
| 418 | K | 96.4 | Very high | 94.2 | Very high | 39 Ų | 39 | 22.3 Ų | 22.3 | 17% | 0.17 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.3 | -37.1 | 176.2 | -59.2 | -54.9 | -179.6 | 162.8 | 0 | 112.9 | V360 L363 E364 E414 I416 I420 E421 V422 | V360-K418 HydrophobicContact CG1-CG 3.93Å; L363-K418 HydrophobicContact CB-CB 3.71Å; L363-K418 HydrophobicContact CD1-CB 4.08Å; E364-K418 HydrophobicContact CG-CD 3.76Å; E364-K418 HydrophobicContact CG-CG 4.11Å; E364-K418 WeakPolarHBondContact OE1-CE 3.44Å; E364-K418 IonicContact OE1-NZ 3.02Å; E364-K418 PolarHBondContact OE1-NZ 3.2Å; E414-K418 PolarHBondContact O-N 2.97Å; I416-K418 PolarHBondContact O-N 2.96Å; K418-I420 VanDerWaalsContact C-N 3.27Å; K418-I420 PolarHBondContact O-N 3.06Å; K418-E421 IonicContact NZ-OE1 2.69Å; K418-E421 PolarHBondContact O-N 3.3Å; K418-V422 WeakPolarHBondContact O-CG2 3.35Å; K418-V422 PolarHBondContact O-N 3.37Å; K418-V422 VanDerWaalsContact O-N 3.14Å |
| 419 | A | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.4 | -32.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L363 I393 Q396 L397 R415 I416 A417 | L363-A419 HydrophobicContact CD1-CB 4.01Å; L363-A419 HydrophobicContact CD2-CB 4.24Å; I393-A419 HydrophobicContact CG2-CB 4.22Å; Q396-A419 HydrophobicContact CB-CB 3.9Å; Q396-A419 HydrophobicContact CG-CB 4.33Å; L397-A419 HydrophobicContact CD2-CB 3.65Å; L397-A419 HydrophobicContact CG-CB 4.48Å; R415-A419 WeakPolarHBondContact O-CB 3.34Å; R415-A419 PolarHBondContact O-N 3.4Å; R415-A419 VanDerWaalsContact O-N 3.16Å; I416-A419 PolarHBondContact O-N 2.86Å; A417-A419 PolarHBondContact O-N 3.01Å |
| 420 | I | 98 | Very high | 95.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -74.6 | -38.1 | 172.2 | -59 | 160 | 0 | 0 | 0 | 111.3 | L397 I416 A417 K418 V422 L423 L424 L448 V478 K481 T482 L485 | L397-I420 HydrophobicContact CD2-CD1 4.43Å; L397-I420 HydrophobicContact CD2-CG1 3.68Å; I416-I420 HydrophobicContact CG2-CD1 3.91Å; I416-I420 WeakPolarHBondContact O-CG1 3.34Å; I416-I420 PolarHBondContact O-N 3.29Å; A417-I420 PolarHBondContact O-N 2.99Å; K418-I420 VanDerWaalsContact C-N 3.27Å; K418-I420 PolarHBondContact O-N 3.06Å; I420-V422 VanDerWaalsContact C-N 3.3Å; I420-V422 PolarHBondContact O-N 3.42Å; I420-L423 PolarHBondContact O-N 3.37Å; I420-L423 VanDerWaalsContact O-N 3.08Å; I420-L424 HydrophobicContact CG2-CD1 3.91Å; I420-L424 HydrophobicContact CG2-CG 4.08Å; I420-L424 WeakPolarHBondContact O-CG 3.37Å; I420-L424 PolarHBondContact O-N 2.82Å; I420-L448 HydrophobicContact CD1-CD2 4.2Å; I420-V478 HydrophobicContact CD1-CG1 3.78Å; I420-K481 HydrophobicContact CB-CB 4.31Å; I420-K481 HydrophobicContact CD1-CB 4.36Å; I420-K481 HydrophobicContact CG2-CB 3.77Å; I420-K481 WeakPolarHBondContact CG2-O 3.17Å; I420-T482 VanDerWaalsContact CD1-OG1 3.3Å; I420-T482 WeakPolarHBondContact CD1-OG1 3.33Å; I420-L485 HydrophobicContact CG2-CB 4.23Å; I420-L485 HydrophobicContact CG2-CD2 4.14Å |
| 421 | E | 97.6 | Very high | 95.5 | Very high | 27 Ų | 27 | 25 Ų | 25 | 13% | 0.126 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.5 | -41.8 | 175.5 | -74.6 | -176.7 | -136.9 | 0 | 0 | 112.3 | K367 A417 K418 L423 L424 T425 K481 | K367-E421 HydrophobicContact CD-CB 4.12Å; K367-E421 WeakPolarHBondContact CE-OE2 3.44Å; K367-E421 IonicContact NZ-OE2 2.63Å; K367-E421 PolarHBondContact NZ-OE2 2.92Å; A417-E421 PolarHBondContact O-N 3.38Å; K418-E421 IonicContact NZ-OE1 2.69Å; K418-E421 PolarHBondContact O-N 3.3Å; E421-L423 VanDerWaalsContact C-N 3.34Å; E421-L423 PolarHBondContact O-N 2.75Å; E421-L424 PolarHBondContact O-N 2.98Å; E421-T425 PolarHBondContact O-N 3.31Å; E421-T425 PolarHBondContact O-OG1 2.97Å; E421-K481 HydrophobicContact CG-CD 4.1Å; E421-K481 VanDerWaalsContact CG-CE 3.45Å; E421-K481 VanDerWaalsContact OE1-CE 3.27Å; E421-K481 WeakPolarHBondContact OE1-CE 3.34Å; E421-K481 IonicContact OE1-NZ 2.91Å |
| 422 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 175.1 | -176.6 | 0 | 0 | 0 | 0 | 111.9 | L363 F366 K367 F370 I393 K418 I420 L424 T425 L426 | L363-V422 HydrophobicContact CB-CG2 4.48Å; L363-V422 HydrophobicContact CD2-CG2 4.48Å; L363-V422 WeakPolarHBondContact O-CG2 3.46Å; F366-V422 HydrophobicContact CB-CG1 4.26Å; F366-V422 HydrophobicContact CB-CG2 4.1Å; K367-V422 HydrophobicContact CB-CG2 3.99Å; F370-V422 HydrophobicContact CD2-CG1 3.96Å; F370-V422 HydrophobicContact CE2-CG1 4.32Å; I393-V422 HydrophobicContact CD1-CB 3.97Å; I393-V422 HydrophobicContact CD1-CG1 3.49Å; I393-V422 VanDerWaalsContact CD1-CG1 3.49Å; I393-V422 HydrophobicContact CD1-CG2 4.48Å; K418-V422 WeakPolarHBondContact O-CG2 3.35Å; K418-V422 PolarHBondContact O-N 3.37Å; K418-V422 VanDerWaalsContact O-N 3.14Å; I420-V422 VanDerWaalsContact C-N 3.3Å; I420-V422 PolarHBondContact O-N 3.42Å; V422-L424 VanDerWaalsContact C-N 3.35Å; V422-T425 PolarHBondContact O-OG1 3.49Å; V422-T425 VanDerWaalsContact O-OG1 3.11Å; V422-L426 HydrophobicContact CG1-CD1 3.97Å; V422-L426 HydrophobicContact CG1-CG 4.41Å; V422-L426 WeakPolarHBondContact O-CB 3.47Å; V422-L426 WeakPolarHBondContact O-CD1 3.41Å; V422-L426 WeakPolarHBondContact O-CG 3.02Å; V422-L426 PolarHBondContact O-N 3.01Å |
| 423 | L | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.8 | -34.3 | 175.5 | -63.3 | 175 | 0 | 0 | 0 | 111.6 | L390 I393 L394 L397 I420 E421 L426 C427 I436 L440 L485 | L390-L423 HydrophobicContact CD2-CD2 3.49Å; L390-L423 VanDerWaalsContact CD2-CD2 3.49Å; I393-L423 HydrophobicContact CG2-CD1 4.15Å; I393-L423 HydrophobicContact CG2-CD2 4.05Å; I393-L423 HydrophobicContact CG2-CG 3.96Å; L394-L423 HydrophobicContact CD2-CD1 4.09Å; L397-L423 HydrophobicContact CD1-CD1 3.69Å; I420-L423 PolarHBondContact O-N 3.37Å; I420-L423 VanDerWaalsContact O-N 3.08Å; E421-L423 VanDerWaalsContact C-N 3.34Å; E421-L423 PolarHBondContact O-N 2.75Å; L423-L426 HydrophobicContact CD2-CD1 4.48Å; L423-C427 WeakPolarHBondContact O-CB 3.41Å; L423-C427 PolarHBondContact O-N 3.2Å; L423-C427 PolarHBondContact O-SG 2.88Å; L423-I436 HydrophobicContact CB-CD1 4.21Å; L423-I436 HydrophobicContact CD2-CD1 3.76Å; L423-I436 HydrophobicContact CD2-CG1 3.93Å; L423-I436 HydrophobicContact CD2-CG2 4.43Å; L423-L440 HydrophobicContact CD1-CD2 4.43Å; L423-L485 HydrophobicContact CB-CD1 3.89Å; L423-L485 HydrophobicContact CB-CD2 3.8Å; L423-L485 HydrophobicContact CD1-CD2 3.74Å; L423-L485 HydrophobicContact CG-CD2 4.44Å |
| 424 | L | 97.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 30 Ų | 30 | 12% | 0.115 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.2 | -34.1 | 177.5 | -75.9 | 171.1 | 0 | 0 | 0 | 113.3 | I420 E421 V422 K481 D484 L485 K488 | I420-L424 HydrophobicContact CG2-CD1 3.91Å; I420-L424 HydrophobicContact CG2-CG 4.08Å; I420-L424 WeakPolarHBondContact O-CG 3.37Å; I420-L424 PolarHBondContact O-N 2.82Å; E421-L424 PolarHBondContact O-N 2.98Å; V422-L424 VanDerWaalsContact C-N 3.35Å; L424-K481 HydrophobicContact CD1-CB 4.3Å; L424-K481 HydrophobicContact CD1-CG 4.37Å; L424-D484 HydrophobicContact CD2-CB 4.18Å; L424-L485 HydrophobicContact CD2-CB 3.87Å; L424-L485 HydrophobicContact CD2-CD1 4.23Å; L424-L485 HydrophobicContact CG-CB 4.37Å; L424-K488 HydrophobicContact CD2-CD 4.15Å; L424-K488 PolarHBondContact O-NZ 2.8Å |
| 425 | T | 96.7 | Very high | 96.4 | Very high | 23 Ų | 23 | 29 Ų | 29 | 14% | 0.141 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -75.2 | -44.8 | 171.8 | 57 | 0 | 0 | 0 | 0 | 111.4 | K367 E371 I374 E421 V422 C427 G428 | K367-T425 HydrophobicContact CG-CG2 3.73Å; E371-T425 HydrophobicContact CB-CG2 4.5Å; I374-T425 WeakPolarHBondContact CD1-O 3.45Å; E421-T425 PolarHBondContact O-N 3.31Å; E421-T425 PolarHBondContact O-OG1 2.97Å; V422-T425 PolarHBondContact O-OG1 3.49Å; V422-T425 VanDerWaalsContact O-OG1 3.11Å; T425-C427 PolarHBondContact O-N 2.78Å; T425-C427 VanDerWaalsContact O-N 3.15Å; T425-G428 WeakPolarHBondContact O-CA 3.34Å; T425-G428 PolarHBondContact O-N 3.42Å |
| 426 | L | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.2 | -28.3 | 172.8 | -74.5 | 171 | 0 | 0 | 0 | 113 | F370 V386 L390 V422 L423 G428 L432 I436 | F370-L426 HydrophobicContact CB-CD2 4.07Å; F370-L426 HydrophobicContact CB-CG 4.49Å; F370-L426 HydrophobicContact CD1-CD2 3.7Å; F370-L426 HydrophobicContact CD2-CD2 4.1Å; F370-L426 HydrophobicContact CD2-CG 4.36Å; F370-L426 HydrophobicContact CE1-CD2 4.16Å; F370-L426 HydrophobicContact CG-CD2 3.68Å; F370-L426 HydrophobicContact CG-CG 4.29Å; V386-L426 HydrophobicContact CG1-CD1 4.43Å; V386-L426 HydrophobicContact CG1-CD2 4.38Å; V386-L426 HydrophobicContact CG2-CD2 3.83Å; L390-L426 HydrophobicContact CD2-CD1 4.23Å; V422-L426 HydrophobicContact CG1-CD1 3.97Å; V422-L426 HydrophobicContact CG1-CG 4.41Å; V422-L426 WeakPolarHBondContact O-CB 3.47Å; V422-L426 WeakPolarHBondContact O-CD1 3.41Å; V422-L426 WeakPolarHBondContact O-CG 3.02Å; V422-L426 PolarHBondContact O-N 3.01Å; L423-L426 HydrophobicContact CD2-CD1 4.48Å; L426-G428 PolarHBondContact O-N 2.71Å; L426-L432 HydrophobicContact CD2-CB 4.22Å; L426-L432 HydrophobicContact CD2-CD1 3.73Å; L426-L432 WeakPolarHBondContact O-CB 3.45Å; L426-I436 HydrophobicContact CB-CD1 3.62Å; L426-I436 HydrophobicContact CD1-CD1 4.36Å |
| 427 | C | 96.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 28.7 Ų | 28.7 | 4% | 0.041 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | 1.6 | 171.2 | -73 | 0 | 0 | 0 | 0 | 115.1 | L423 T425 K433 K488 | L423-C427 WeakPolarHBondContact O-CB 3.41Å; L423-C427 PolarHBondContact O-N 3.2Å; L423-C427 PolarHBondContact O-SG 2.88Å; T425-C427 PolarHBondContact O-N 2.78Å; T425-C427 VanDerWaalsContact O-N 3.15Å; C427-K433 HydrophobicContact CB-CD 4.18Å; C427-K433 HydrophobicContact CB-CG 4.25Å; C427-K488 HydrophobicContact CB-CB 4.32Å; C427-K488 HydrophobicContact CB-CD 3.59Å |
| 428 | G | 94.2 | Very high | 96.6 | Very high | 53 Ų | 53 | 37 Ų | 37 | 55% | 0.546 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -30.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T425 L426 | T425-G428 WeakPolarHBondContact O-CA 3.34Å; T425-G428 PolarHBondContact O-N 3.42Å; L426-G428 PolarHBondContact O-N 2.71Å |
| 429 | D | 96.2 | Very high | 96.6 | Very high | 33 Ų | 33 | 38.9 Ų | 38.9 | 18% | 0.176 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -100.5 | 136.5 | 173.1 | 175 | 92 | 0 | 0 | 0 | 110.8 | I374 C379 T431 L432 K433 | I374-D429 HydrophobicContact CD1-CB 4.27Å; I374-D429 HydrophobicContact CG1-CB 4.18Å; C379-D429 PolarHBondContact SG-OD1 2.91Å; D429-T431 PolarHBondContact O-N 3.15Å; D429-T431 VanDerWaalsContact OD2-CA 3.23Å; D429-T431 WeakPolarHBondContact OD2-CA 3.33Å; D429-T431 WeakPolarHBondContact OD2-CB 3.44Å; D429-T431 PolarHBondContact OD2-N 3.02Å; D429-T431 PolarHBondContact OD2-OG1 3.46Å; D429-L432 HydrophobicContact CB-CB 4.24Å; D429-L432 HydrophobicContact CB-CD1 4.21Å; D429-L432 HydrophobicContact CB-CG 4.11Å; D429-L432 PolarHBondContact OD2-N 3.15Å; D429-K433 WeakPolarHBondContact O-CB 3.39Å; D429-K433 PolarHBondContact O-N 2.99Å |
| 430 | D | 94.8 | Very high | 96.6 | Very high | 110 Ų | 110 | 39 Ų | 39 | 59% | 0.588 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -67.4 | -32.9 | -178 | -81.2 | -47 | 0 | 0 | 0 | 113.6 | K433 M434 | D430-K433 WeakPolarHBondContact OD1-CE 3.42Å; D430-K433 IonicContact OD1-NZ 3.37Å; D430-K433 PolarHBondContact OD1-NZ 3.01Å; D430-M434 WeakPolarHBondContact O-CB 3.34Å; D430-M434 WeakPolarHBondContact O-CG 3.27Å; D430-M434 PolarHBondContact O-N 2.91Å |
| 431 | T | 94.8 | Very high | 96.5 | Very high | 78 Ų | 78 | 42.7 Ų | 42.7 | 48% | 0.479 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -70.5 | -44.7 | 178.8 | -41.3 | 0 | 0 | 0 | 0 | 110.9 | D429 M434 H435 | D429-T431 PolarHBondContact O-N 3.15Å; D429-T431 VanDerWaalsContact OD2-CA 3.23Å; D429-T431 WeakPolarHBondContact OD2-CA 3.33Å; D429-T431 WeakPolarHBondContact OD2-CB 3.44Å; D429-T431 PolarHBondContact OD2-N 3.02Å; D429-T431 PolarHBondContact OD2-OG1 3.46Å; T431-M434 PolarHBondContact O-N 3.05Å; T431-H435 PolarHBondContact O-N 2.96Å; T431-H435 PolarHBondContact O-ND1 2.95Å |
| 432 | L | 95.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.6 | -37.1 | 178 | -55.9 | -175.3 | 0 | 0 | 0 | 111 | I374 C379 D383 V386 L426 D429 M434 H435 I436 | I374-L432 HydrophobicContact CD1-CD1 4.4Å; I374-L432 HydrophobicContact CG1-CD1 4.47Å; C379-L432 HydrophobicContact CB-CD1 4.44Å; D383-L432 HydrophobicContact CB-CD2 4.19Å; V386-L432 HydrophobicContact CB-CD2 4.28Å; V386-L432 HydrophobicContact CG1-CD2 4.34Å; V386-L432 HydrophobicContact CG2-CD2 4.05Å; L426-L432 HydrophobicContact CD2-CB 4.22Å; L426-L432 HydrophobicContact CD2-CD1 3.73Å; L426-L432 WeakPolarHBondContact O-CB 3.45Å; D429-L432 HydrophobicContact CB-CB 4.24Å; D429-L432 HydrophobicContact CB-CD1 4.21Å; D429-L432 HydrophobicContact CB-CG 4.11Å; D429-L432 PolarHBondContact OD2-N 3.15Å; L432-M434 VanDerWaalsContact C-N 3.35Å; L432-M434 PolarHBondContact O-N 3.3Å; L432-H435 WeakPolarHBondContact O-CB 3.32Å; L432-H435 PolarHBondContact O-N 3.44Å; L432-I436 PolarHBondContact O-N 3.39Å; L432-I436 VanDerWaalsContact O-N 3.14Å |
| 433 | K | 96.9 | Very high | 96.4 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 17% | 0.17 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 170 | -172.9 | 168.2 | 60.5 | -150 | 0 | 112.7 | C427 D429 D430 H435 I436 A437 L489 L492 | C427-K433 HydrophobicContact CB-CD 4.18Å; C427-K433 HydrophobicContact CB-CG 4.25Å; D429-K433 WeakPolarHBondContact O-CB 3.39Å; D429-K433 PolarHBondContact O-N 2.99Å; D430-K433 WeakPolarHBondContact OD1-CE 3.42Å; D430-K433 IonicContact OD1-NZ 3.37Å; D430-K433 PolarHBondContact OD1-NZ 3.01Å; K433-H435 VanDerWaalsContact C-N 3.33Å; K433-H435 PolarHBondContact O-N 3.14Å; K433-I436 PolarHBondContact O-N 3.45Å; K433-A437 PolarHBondContact O-N 3.47Å; K433-L489 HydrophobicContact CG-CD2 3.92Å; K433-L492 HydrophobicContact CD-CD1 4.21Å; K433-L492 HydrophobicContact CG-CD1 3.8Å |
| 434 | M | 95.9 | Very high | 96.3 | Very high | 108 Ų | 108 | 49.7 Ų | 49.7 | 53% | 0.532 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.7 | -34.6 | 174.9 | -78.2 | -66.8 | -70.1 | 0 | 0 | 112.7 | D430 T431 L432 K438 L492 | D430-M434 WeakPolarHBondContact O-CB 3.34Å; D430-M434 WeakPolarHBondContact O-CG 3.27Å; D430-M434 PolarHBondContact O-N 2.91Å; T431-M434 PolarHBondContact O-N 3.05Å; L432-M434 VanDerWaalsContact C-N 3.35Å; L432-M434 PolarHBondContact O-N 3.3Å; M434-K438 WeakPolarHBondContact O-CB 3.25Å; M434-K438 PolarHBondContact O-N 3.19Å; M434-K438 VanDerWaalsContact O-N 3.13Å; M434-L492 HydrophobicContact SD-CD1 3.87Å; M434-L492 HydrophobicContact SD-CD2 3.82Å; M434-L492 HydrophobicContact SD-CG 4.33Å |
| 435 | H | 96.1 | Very high | 96.3 | Very high | 44 Ų | 44 | 49 Ų | 49 | 20% | 0.204 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 171.7 | -77.4 | 93.9 | 0 | 0 | 0 | 112.3 | D383 L390 T431 L432 K433 | D383-H435 IonicContact OD1-CE1 3.16Å; D383-H435 PolarHBondContact OD1-CE1 2.94Å; D383-H435 IonicContact OD1-ND1 2.75Å; D383-H435 PolarHBondContact OD1-ND1 2.9Å; D383-H435 IonicContact OD1-NE2 3.74Å; L390-H435 HydrophobicContact CD1-CB 3.79Å; T431-H435 PolarHBondContact O-N 2.96Å; T431-H435 PolarHBondContact O-ND1 2.95Å; L432-H435 WeakPolarHBondContact O-CB 3.32Å; L432-H435 PolarHBondContact O-N 3.44Å; K433-H435 VanDerWaalsContact C-N 3.33Å; K433-H435 PolarHBondContact O-N 3.14Å |
| 436 | I | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.9 | -51.8 | 173.9 | -63.7 | 169.6 | 0 | 0 | 0 | 110.7 | L390 L423 L426 L432 K433 K438 I439 L440 L489 | L390-I436 HydrophobicContact CD1-CG1 4.2Å; L390-I436 HydrophobicContact CD2-CG1 3.75Å; L423-I436 HydrophobicContact CB-CD1 4.21Å; L423-I436 HydrophobicContact CD2-CD1 3.76Å; L423-I436 HydrophobicContact CD2-CG1 3.93Å; L423-I436 HydrophobicContact CD2-CG2 4.43Å; L426-I436 HydrophobicContact CB-CD1 3.62Å; L426-I436 HydrophobicContact CD1-CD1 4.36Å; L432-I436 PolarHBondContact O-N 3.39Å; L432-I436 VanDerWaalsContact O-N 3.14Å; K433-I436 PolarHBondContact O-N 3.45Å; I436-K438 PolarHBondContact O-N 3.2Å; I436-K438 VanDerWaalsContact O-N 3.13Å; I436-I439 PolarHBondContact O-N 3.26Å; I436-L440 HydrophobicContact CG2-CB 4.01Å; I436-L440 HydrophobicContact CG2-CD2 4.01Å; I436-L440 WeakPolarHBondContact O-CB 3.48Å; I436-L440 PolarHBondContact O-N 3.44Å; I436-L489 HydrophobicContact CB-CD2 4.39Å; I436-L489 HydrophobicContact CG2-CD1 3.73Å; I436-L489 HydrophobicContact CG2-CD2 4.07Å |
| 437 | A | 96.8 | Very high | 96.2 | Very high | 15 Ų | 15 | 53 Ų | 53 | 12% | 0.124 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.9 | -29.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | K433 I439 L489 L492 V493 | K433-A437 PolarHBondContact O-N 3.47Å; A437-I439 VanDerWaalsContact C-N 3.33Å; A437-L489 HydrophobicContact CB-CD2 4.12Å; A437-L492 HydrophobicContact CB-CB 3.59Å; A437-L492 HydrophobicContact CB-CD1 3.93Å; A437-L492 HydrophobicContact CB-CG 4.44Å; A437-V493 HydrophobicContact CB-CG2 3.87Å |
| 438 | K | 95.9 | Very high | 96.3 | Very high | 179 Ų | 179 | 52.9 Ų | 52.9 | 78% | 0.778 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -20.7 | 177.7 | -173.7 | 176.5 | 177.4 | -175.8 | 0 | 114.1 | M434 I436 | M434-K438 WeakPolarHBondContact O-CB 3.25Å; M434-K438 PolarHBondContact O-N 3.19Å; M434-K438 VanDerWaalsContact O-N 3.13Å; I436-K438 PolarHBondContact O-N 3.2Å; I436-K438 VanDerWaalsContact O-N 3.13Å |
| 439 | I | 96 | Very high | 96.4 | Very high | 77 Ų | 77 | 50.4 Ų | 50.4 | 40% | 0.395 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -36.3 | -171.1 | -50.2 | 175.6 | 0 | 0 | 0 | 112 | L390 L394 I436 A437 T441 | L390-I439 HydrophobicContact CB-CD1 4.37Å; L390-I439 HydrophobicContact CD1-CD1 4.29Å; L394-I439 HydrophobicContact CD1-CB 4.09Å; L394-I439 HydrophobicContact CD1-CG2 3.5Å; L394-I439 VanDerWaalsContact CD1-CG2 3.5Å; I436-I439 PolarHBondContact O-N 3.26Å; A437-I439 VanDerWaalsContact C-N 3.33Å; I439-T441 PolarHBondContact O-N 3.11Å |
| 440 | L | 97.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | trans | -81.4 | 108.1 | 179.8 | 179.5 | 52.8 | 0 | 0 | 0 | 111.3 | L394 L423 I436 K444 L485 L489 | L394-L440 HydrophobicContact CD2-CB 4.32Å; L394-L440 HydrophobicContact CD2-CD1 3.89Å; L394-L440 HydrophobicContact CD2-CD2 4.5Å; L394-L440 HydrophobicContact CD2-CG 4.47Å; L423-L440 HydrophobicContact CD1-CD2 4.43Å; I436-L440 HydrophobicContact CG2-CB 4.01Å; I436-L440 HydrophobicContact CG2-CD2 4.01Å; I436-L440 WeakPolarHBondContact O-CB 3.48Å; I436-L440 PolarHBondContact O-N 3.44Å; L440-K444 HydrophobicContact CD1-CB 3.96Å; L440-K444 HydrophobicContact CD1-CG 4.11Å; L440-L485 HydrophobicContact CD2-CD2 3.72Å; L440-L485 HydrophobicContact CD2-CG 4.31Å; L440-L489 HydrophobicContact CD2-CD1 3.8Å | ||
| 441 | T | 96.2 | Very high | 96.3 | Very high | 77 Ų | 77 | 49.3 Ų | 49.3 | 47% | 0.472 | 26% | 0.259 | S | S | . | . | trans | -86.7 | 148.9 | 179.8 | 66.6 | 0 | 0 | 0 | 0 | 112.5 | I439 V443 K444 C445 | I439-T441 PolarHBondContact O-N 3.11Å; T441-V443 PolarHBondContact O-N 3.08Å; T441-K444 WeakPolarHBondContact O-CB 3.45Å; T441-K444 PolarHBondContact O-N 2.93Å; T441-K444 PolarHBondContact OG1-N 3.24Å; T441-C445 PolarHBondContact O-N 3.14Å | ||
| 442 | T | 96.8 | Very high | 96.3 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -48.9 | -42.3 | 172.9 | -46.2 | 0 | 0 | 0 | 0 | 112.6 | K444 C445 T446 M496 S499 | T442-K444 VanDerWaalsContact C-N 3.3Å; T442-K444 PolarHBondContact O-N 2.97Å; T442-C445 PolarHBondContact O-N 2.88Å; T442-T446 PolarHBondContact O-N 3.38Å; T442-T446 PolarHBondContact O-OG1 3.34Å; T442-M496 HydrophobicContact CG2-CB 4.32Å; T442-M496 HydrophobicContact CG2-CG 4.44Å; T442-S499 VanDerWaalsContact CG2-CB 3.4Å |
| 443 | V | 96.6 | Very high | 96.1 | Very high | 99 Ų | 99 | 45.9 Ų | 45.9 | 60% | 0.6 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.1 | -35.2 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | T441 T446 T447 | T441-V443 PolarHBondContact O-N 3.08Å; V443-T446 WeakPolarHBondContact CA-OG1 3.48Å; V443-T446 PolarHBondContact O-OG1 3.2Å; V443-T447 VanDerWaalsContact O-CB 3.31Å; V443-T447 WeakPolarHBondContact O-CB 3.22Å; V443-T447 PolarHBondContact O-N 2.81Å; V443-T447 PolarHBondContact O-OG1 2.76Å |
| 444 | K | 96.1 | Very high | 95.8 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 21% | 0.213 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -44.9 | 176.4 | -166.4 | 79.5 | -167.5 | -55.9 | 0 | 110.3 | L394 L397 L440 T441 T442 L448 | L394-K444 PolarHBondContact O-NZ 3.5Å; L397-K444 VanDerWaalsContact O-CE 3.23Å; L397-K444 WeakPolarHBondContact O-CE 3.41Å; L397-K444 PolarHBondContact O-NZ 3.29Å; L440-K444 HydrophobicContact CD1-CB 3.96Å; L440-K444 HydrophobicContact CD1-CG 4.11Å; T441-K444 WeakPolarHBondContact O-CB 3.45Å; T441-K444 PolarHBondContact O-N 2.93Å; T441-K444 PolarHBondContact OG1-N 3.24Å; T442-K444 VanDerWaalsContact C-N 3.3Å; T442-K444 PolarHBondContact O-N 2.97Å; K444-L448 PolarHBondContact O-N 3.41Å |
| 445 | C | 97.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 5% | 0.047 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.7 | -43.3 | -179.8 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | T441 T442 L448 I449 T482 I486 | T441-C445 PolarHBondContact O-N 3.14Å; T442-C445 PolarHBondContact O-N 2.88Å; C445-L448 PolarHBondContact O-N 3.46Å; C445-I449 WeakPolarHBondContact O-CG1 3.36Å; C445-I449 PolarHBondContact O-N 3.23Å; C445-I449 VanDerWaalsContact O-N 3.09Å; C445-T482 HydrophobicContact CB-CG2 4.13Å; C445-I486 HydrophobicContact CB-CD1 3.76Å; C445-I486 HydrophobicContact CB-CG1 3.82Å |
| 446 | T | 96.4 | Very high | 94.9 | Very high | 39 Ų | 39 | 46.3 Ų | 46.3 | 24% | 0.239 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.1 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | T442 V443 L448 I449 E450 S499 I503 | T442-T446 PolarHBondContact O-N 3.38Å; T442-T446 PolarHBondContact O-OG1 3.34Å; V443-T446 WeakPolarHBondContact CA-OG1 3.48Å; V443-T446 PolarHBondContact O-OG1 3.2Å; T446-L448 VanDerWaalsContact C-N 3.31Å; T446-L448 PolarHBondContact O-N 3.36Å; T446-I449 PolarHBondContact O-N 3.17Å; T446-E450 PolarHBondContact O-N 3.01Å; T446-S499 WeakPolarHBondContact CG2-OG 3.44Å; T446-I503 HydrophobicContact CG2-CD1 4.22Å |
| 447 | T | 96.9 | Very high | 94.3 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | V443 E450 Q451 | V443-T447 VanDerWaalsContact O-CB 3.31Å; V443-T447 WeakPolarHBondContact O-CB 3.22Å; V443-T447 PolarHBondContact O-N 2.81Å; V443-T447 PolarHBondContact O-OG1 2.76Å; T447-E450 PolarHBondContact O-N 3.44Å; T447-Q451 HydrophobicContact CG2-CG 4.42Å; T447-Q451 WeakPolarHBondContact O-CB 3.47Å; T447-Q451 VanDerWaalsContact O-CG 3.27Å; T447-Q451 WeakPolarHBondContact O-CG 3.34Å; T447-Q451 PolarHBondContact O-N 3.29Å |
| 448 | L | 97 | Very high | 93.6 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.2 | -174.6 | 62.4 | 0 | 0 | 0 | 112.4 | L397 I416 I420 K444 C445 T446 Q451 Q452 T482 | L397-L448 HydrophobicContact CB-CD2 4.24Å; L397-L448 HydrophobicContact CD2-CD2 4.39Å; I416-L448 HydrophobicContact CD1-CD1 4.26Å; I416-L448 HydrophobicContact CG2-CD1 4.1Å; I416-L448 HydrophobicContact CG2-CD2 4.02Å; I420-L448 HydrophobicContact CD1-CD2 4.2Å; K444-L448 PolarHBondContact O-N 3.41Å; C445-L448 PolarHBondContact O-N 3.46Å; T446-L448 VanDerWaalsContact C-N 3.31Å; T446-L448 PolarHBondContact O-N 3.36Å; L448-Q451 PolarHBondContact O-N 3.37Å; L448-Q452 WeakPolarHBondContact O-CG 3.29Å; L448-Q452 PolarHBondContact O-N 3.38Å; L448-T482 HydrophobicContact CD2-CG2 4.37Å |
| 449 | I | 96.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 178 | -71.9 | 169 | 0 | 0 | 0 | 110.9 | C445 T446 Q451 Q452 F453 I479 T482 L483 I486 I503 | C445-I449 WeakPolarHBondContact O-CG1 3.36Å; C445-I449 PolarHBondContact O-N 3.23Å; C445-I449 VanDerWaalsContact O-N 3.09Å; T446-I449 PolarHBondContact O-N 3.17Å; I449-Q451 PolarHBondContact O-N 2.69Å; I449-Q452 PolarHBondContact O-N 3.3Å; I449-F453 HydrophobicContact CG2-CD2 3.8Å; I449-F453 HydrophobicContact CG2-CE2 3.42Å; I449-F453 VanDerWaalsContact CG2-CE2 3.42Å; I449-F453 HydrophobicContact CG2-CZ 4.35Å; I449-F453 WeakPolarHBondContact O-CD2 3.4Å; I449-F453 PolarHBondContact O-N 3.47Å; I449-I479 HydrophobicContact CG2-CG2 4.4Å; I449-T482 HydrophobicContact CD1-CG2 3.87Å; I449-T482 HydrophobicContact CG1-CG2 3.87Å; I449-L483 HydrophobicContact CD1-CD2 4.11Å; I449-L483 HydrophobicContact CD1-CG 4.15Å; I449-I486 HydrophobicContact CD1-CD1 3.84Å; I449-I503 HydrophobicContact CD1-CD1 3.95Å; I449-I503 HydrophobicContact CD1-CG2 4.41Å; I449-I503 HydrophobicContact CG2-CG2 4.33Å |
| 450 | E | 95.4 | Very high | 91.4 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 40% | 0.397 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.9 | -38.6 | 174.8 | -68.8 | -58.8 | 158.3 | 0 | 0 | 112.8 | T446 T447 Q452 T454 R508 | T446-E450 PolarHBondContact O-N 3.01Å; T447-E450 PolarHBondContact O-N 3.44Å; E450-Q452 VanDerWaalsContact C-N 3.32Å; E450-Q452 PolarHBondContact O-N 3.03Å; E450-T454 VanDerWaalsContact O-CB 3.3Å; E450-T454 WeakPolarHBondContact O-CB 3.32Å; E450-T454 PolarHBondContact O-N 3.26Å; E450-T454 PolarHBondContact O-OG1 2.85Å; E450-R508 VanDerWaalsContact CD-NH2 3.34Å; E450-R508 IonicContact OE1-CZ 2.63Å; E450-R508 IonicContact OE1-NH1 2.65Å; E450-R508 IonicContact OE1-NH2 2.61Å; E450-R508 PolarHBondContact OE1-NH2 3.44Å; E450-R508 IonicContact OE2-CZ 2.62Å; E450-R508 IonicContact OE2-NH1 2.96Å; E450-R508 PolarHBondContact OE2-NH1 2.83Å; E450-R508 IonicContact OE2-NH2 3.83Å; E450-R508 PolarHBondContact OE2-NH2 3.26Å; E450-R508 VanDerWaalsContact OE2-NH2 3.16Å |
| 451 | Q | 93.6 | Very high | 89.9 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.3 | -40 | 173 | -77.1 | -177.6 | -15.7 | 0 | 0 | 111.6 | F399 T447 L448 I449 T454 Y455 | F399-Q451 HydrophobicContact CD2-CB 3.79Å; F399-Q451 HydrophobicContact CD2-CG 4.41Å; F399-Q451 HydrophobicContact CE2-CB 4.27Å; F399-Q451 PolarHBondContact O-NE2 3.01Å; T447-Q451 HydrophobicContact CG2-CG 4.42Å; T447-Q451 WeakPolarHBondContact O-CB 3.47Å; T447-Q451 VanDerWaalsContact O-CG 3.27Å; T447-Q451 WeakPolarHBondContact O-CG 3.34Å; T447-Q451 PolarHBondContact O-N 3.29Å; L448-Q451 PolarHBondContact O-N 3.37Å; I449-Q451 PolarHBondContact O-N 2.69Å; Q451-T454 PolarHBondContact O-N 3Å; Q451-Y455 HydrophobicContact CB-CD2 4.11Å; Q451-Y455 HydrophobicContact CB-CE2 4.31Å; Q451-Y455 HydrophobicContact CG-CD2 4.48Å; Q451-Y455 HydrophobicContact CG-CE2 4.17Å; Q451-Y455 WeakPolarHBondContact O-CB 3.42Å; Q451-Y455 VanDerWaalsContact O-CD2 3.25Å; Q451-Y455 WeakPolarHBondContact O-CD2 3.11Å; Q451-Y455 PolarHBondContact O-N 3.11Å |
| 452 | Q | 94.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.1 | -40.4 | 179 | -72 | -66.8 | -5.3 | 0 | 0 | 113.3 | F399 C413 L448 I449 E450 T454 G456 A475 V478 I479 | F399-Q452 HydrophobicContact CE2-CG 4.5Å; C413-Q452 PolarHBondContact SG-OE1 3.01Å; C413-Q452 VanDerWaalsContact SG-OE1 3.39Å; L448-Q452 WeakPolarHBondContact O-CG 3.29Å; L448-Q452 PolarHBondContact O-N 3.38Å; I449-Q452 PolarHBondContact O-N 3.3Å; E450-Q452 VanDerWaalsContact C-N 3.32Å; E450-Q452 PolarHBondContact O-N 3.03Å; Q452-T454 VanDerWaalsContact C-N 3.29Å; Q452-T454 PolarHBondContact O-N 3.45Å; Q452-G456 VanDerWaalsContact O-CA 3.23Å; Q452-G456 WeakPolarHBondContact O-CA 3.41Å; Q452-G456 PolarHBondContact O-N 2.88Å; Q452-A475 VanDerWaalsContact OE1-CB 3.26Å; Q452-V478 HydrophobicContact CG-CB 4.12Å; Q452-V478 HydrophobicContact CG-CG1 3.65Å; Q452-I479 HydrophobicContact CB-CD1 3.83Å; Q452-I479 HydrophobicContact CB-CG1 3.62Å; Q452-I479 HydrophobicContact CG-CG1 4.42Å |
| 453 | F | 92.9 | Very high | 87.8 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 170.7 | -73.7 | -55.2 | 0 | 0 | 0 | 111.2 | I449 K457 I458 I479 R508 P512 | I449-F453 HydrophobicContact CG2-CD2 3.8Å; I449-F453 HydrophobicContact CG2-CE2 3.42Å; I449-F453 VanDerWaalsContact CG2-CE2 3.42Å; I449-F453 HydrophobicContact CG2-CZ 4.35Å; I449-F453 WeakPolarHBondContact O-CD2 3.4Å; I449-F453 PolarHBondContact O-N 3.47Å; F453-K457 PolarHBondContact O-N 3.32Å; F453-I458 HydrophobicContact CD1-CB 4.22Å; F453-I458 HydrophobicContact CD1-CG1 4.28Å; F453-I458 HydrophobicContact CD1-CG2 4.38Å; F453-I479 HydrophobicContact CD1-CD1 3.69Å; F453-I479 HydrophobicContact CE1-CD1 3.64Å; F453-I479 HydrophobicContact CG-CD1 4.14Å; F453-I479 HydrophobicContact CZ-CD1 4.08Å; F453-I479 HydrophobicContact CZ-CG2 4.25Å; F453-R508 HydrophobicContact CD1-CB 3.73Å; F453-R508 HydrophobicContact CE1-CB 3.37Å; F453-R508 WeakPolarHBondContact CE1-O 3.45Å; F453-R508 HydrophobicContact CE2-CB 4.24Å; F453-R508 HydrophobicContact CG-CB 4.33Å; F453-R508 HydrophobicContact CZ-CB 3.66Å; F453-P512 HydrophobicContact CE1-CG 4.37Å |
| 454 | T | 90.9 | Very high | 87 | Confident | 92 Ų | 92 | 56.7 Ų | 56.7 | 56% | 0.564 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -70.4 | -56.5 | -177 | -55.1 | 0 | 0 | 0 | 0 | 113 | E450 Q451 Q452 | E450-T454 VanDerWaalsContact O-CB 3.3Å; E450-T454 WeakPolarHBondContact O-CB 3.32Å; E450-T454 PolarHBondContact O-N 3.26Å; E450-T454 PolarHBondContact O-OG1 2.85Å; Q451-T454 PolarHBondContact O-N 3Å; Q452-T454 VanDerWaalsContact C-N 3.29Å; Q452-T454 PolarHBondContact O-N 3.45Å |
| 455 | Y | 88 | Confident | 86.3 | Confident | 108 Ų | 108 | 55.8 Ų | 55.8 | 42% | 0.424 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -82.2 | -28.4 | -175 | -64.1 | -60.2 | 0 | 0 | 0 | 113.3 | F399 Q451 K457 | F399-Y455 HydrophobicContact CB-CD2 4.19Å; F399-Y455 HydrophobicContact CB-CE2 3.93Å; F399-Y455 HydrophobicContact CD1-CD2 4.09Å; F399-Y455 AromaticContact CD2-CD2 3.98Å; F399-Y455 HydrophobicContact CD2-CD2 3.98Å; F399-Y455 HydrophobicContact CD2-CE2 4.48Å; F399-Y455 HydrophobicContact CE1-CD2 4.44Å; F399-Y455 HydrophobicContact CE2-CD2 4.32Å; F399-Y455 AromaticContact CG-CD2 3.83Å; F399-Y455 HydrophobicContact CG-CD2 3.83Å; F399-Y455 HydrophobicContact CG-CE2 4.1Å; Q451-Y455 HydrophobicContact CB-CD2 4.11Å; Q451-Y455 HydrophobicContact CB-CE2 4.31Å; Q451-Y455 HydrophobicContact CG-CD2 4.48Å; Q451-Y455 HydrophobicContact CG-CE2 4.17Å; Q451-Y455 WeakPolarHBondContact O-CB 3.42Å; Q451-Y455 VanDerWaalsContact O-CD2 3.25Å; Q451-Y455 WeakPolarHBondContact O-CD2 3.11Å; Q451-Y455 PolarHBondContact O-N 3.11Å; Y455-K457 PolarHBondContact O-N 3.39Å |
| 456 | G | 84.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -9.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q452 I458 | Q452-G456 VanDerWaalsContact O-CA 3.23Å; Q452-G456 WeakPolarHBondContact O-CA 3.41Å; Q452-G456 PolarHBondContact O-N 2.88Å; G456-I458 PolarHBondContact O-N 2.71Å |
| 457 | K | 85.4 | Confident | 84.9 | Confident | 80 Ų | 80 | 55.1 Ų | 55.1 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 31 | 176.3 | -52 | 171 | -167.5 | 164.4 | 0 | 113.5 | E406 F453 Y455 D459 L460 | E406-K457 IonicContact OE2-NZ 2.67Å; E406-K457 PolarHBondContact OE2-NZ 3.46Å; F453-K457 PolarHBondContact O-N 3.32Å; Y455-K457 PolarHBondContact O-N 3.39Å; K457-D459 VanDerWaalsContact C-N 3.32Å; K457-D459 PolarHBondContact O-N 3.33Å; K457-L460 HydrophobicContact CB-CB 3.99Å; K457-L460 HydrophobicContact CB-CD2 4.22Å; K457-L460 HydrophobicContact CD-CD2 4.3Å; K457-L460 HydrophobicContact CG-CD2 4.32Å; K457-L460 WeakPolarHBondContact O-CB 3.42Å; K457-L460 PolarHBondContact O-N 3.49Å |
| 458 | I | 81.7 | Confident | 84.1 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -47.5 | -172.3 | -63.1 | -60.4 | 0 | 0 | 0 | 111.6 | F453 G456 L460 K465 C472 A475 A476 I479 T511 P512 | F453-I458 HydrophobicContact CD1-CB 4.22Å; F453-I458 HydrophobicContact CD1-CG1 4.28Å; F453-I458 HydrophobicContact CD1-CG2 4.38Å; G456-I458 PolarHBondContact O-N 2.71Å; I458-L460 VanDerWaalsContact C-N 3.32Å; I458-L460 PolarHBondContact O-N 2.77Å; I458-K465 VanDerWaalsContact O-CD 3.24Å; I458-K465 WeakPolarHBondContact O-CD 3.46Å; I458-K465 WeakPolarHBondContact O-CE 3.48Å; I458-K465 VanDerWaalsContact O-CG 3.32Å; I458-K465 WeakPolarHBondContact O-CG 3.31Å; I458-C472 HydrophobicContact CD1-CB 4.42Å; I458-C472 WeakPolarHBondContact CD1-O 3.26Å; I458-A475 HydrophobicContact CD1-CB 3.96Å; I458-A475 HydrophobicContact CG1-CB 4.48Å; I458-A476 HydrophobicContact CD1-CB 4.23Å; I458-I479 HydrophobicContact CG1-CD1 4.42Å; I458-T511 HydrophobicContact CG2-CG2 3.93Å; I458-P512 HydrophobicContact CG2-CG 4.32Å |
| 459 | D | 72.4 | Confident | 83.5 | Confident | 82 Ų | 82 | 57.4 Ų | 57.4 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -4.7 | -176.8 | -49.1 | -56.4 | 0 | 0 | 0 | 113.8 | K457 G461 R508 | K457-D459 VanDerWaalsContact C-N 3.32Å; K457-D459 PolarHBondContact O-N 3.33Å; D459-G461 PolarHBondContact O-N 2.88Å; D459-G461 VanDerWaalsContact O-N 3.15Å; D459-R508 WeakPolarHBondContact OD1-CG 3.47Å; D459-R508 WeakPolarHBondContact OD2-CD 3.31Å; D459-R508 WeakPolarHBondContact OD2-CG 3.33Å |
| 460 | L | 73.3 | Confident | 83 | Confident | 129 Ų | 129 | 61.7 Ų | 61.7 | 68% | 0.675 | 34% | 0.337 | S | S | * | . | trans | -88.2 | 86.9 | -169.3 | -162.9 | 76.7 | 0 | 0 | 0 | 111.3 | K457 I458 K465 | K457-L460 HydrophobicContact CB-CB 3.99Å; K457-L460 HydrophobicContact CB-CD2 4.22Å; K457-L460 HydrophobicContact CD-CD2 4.3Å; K457-L460 HydrophobicContact CG-CD2 4.32Å; K457-L460 WeakPolarHBondContact O-CB 3.42Å; K457-L460 PolarHBondContact O-N 3.49Å; I458-L460 VanDerWaalsContact C-N 3.32Å; I458-L460 PolarHBondContact O-N 2.77Å; L460-K465 VanDerWaalsContact C-CE 3.41Å; L460-K465 WeakPolarHBondContact O-CE 3.44Å; L460-K465 PolarHBondContact O-NZ 3.4Å | ||
| 461 | G | 65.5 | Low | 82.7 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 59% | 0.588 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -172.6 | -178.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D459 | D459-G461 PolarHBondContact O-N 2.88Å; D459-G461 VanDerWaalsContact O-N 3.15Å |
| 462 | F | 71.6 | Confident | 82.5 | Confident | 216 Ų | 216 | 56.5 Ų | 56.5 | 95% | 0.947 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -108.1 | 126.9 | 176 | -179.5 | -92.4 | 0 | 0 | 0 | 110.4 | ||
| 463 | G | 77.5 | Confident | 82.4 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 62% | 0.619 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 81.4 | -170.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K465 | G463-K465 PolarHBondContact O-N 3.01Š|
| 464 | T | 78.8 | Confident | 82.4 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -61.9 | 126 | 174.5 | 45.6 | 0 | 0 | 0 | 0 | 110.6 | E548 | T464-E548 HydrophobicContact CG2-CB 4.37Š|
| 465 | K | 82.2 | Confident | 82.6 | Confident | 31 Ų | 31 | 56 Ų | 56 | 14% | 0.135 | 31% | 0.306 | C | S | . | . | trans | -67.1 | 139.8 | -178.6 | -91.8 | -85.4 | -179.8 | 170.7 | 0 | 113 | I458 L460 G463 T511 N553 | I458-K465 VanDerWaalsContact O-CD 3.24Å; I458-K465 WeakPolarHBondContact O-CD 3.46Å; I458-K465 WeakPolarHBondContact O-CE 3.48Å; I458-K465 VanDerWaalsContact O-CG 3.32Å; I458-K465 WeakPolarHBondContact O-CG 3.31Å; L460-K465 VanDerWaalsContact C-CE 3.41Å; L460-K465 WeakPolarHBondContact O-CE 3.44Å; L460-K465 PolarHBondContact O-NZ 3.4Å; G463-K465 PolarHBondContact O-N 3.01Å; K465-T511 HydrophobicContact CB-CG2 3.54Å; K465-T511 HydrophobicContact CG-CG2 4.39Å; K465-N553 PolarHBondContact O-ND2 3.42Å | ||
| 466 | V | 83.9 | Confident | 82.9 | Confident | 30 Ų | 30 | 51 Ų | 51 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | trans | -124 | 150.6 | -176.9 | 172.9 | 0 | 0 | 0 | 0 | 108.8 | D468 F515 A552 N553 Y556 | V466-D468 PolarHBondContact O-N 3.5Å; V466-F515 VanDerWaalsContact C-CE1 3.41Å; V466-F515 VanDerWaalsContact C-CZ 3.5Å; V466-F515 WeakPolarHBondContact O-CZ 3.33Å; V466-A552 HydrophobicContact CG2-CB 4.23Å; V466-N553 VanDerWaalsContact CA-OD1 3.32Å; V466-N553 WeakPolarHBondContact CA-OD1 3.5Å; V466-Y556 VanDerWaalsContact CG1-CB 3.42Å; V466-Y556 HydrophobicContact CG1-CD1 3.59Å; V466-Y556 HydrophobicContact CG1-CD2 3.57Å; V466-Y556 HydrophobicContact CG1-CE1 4.24Å; V466-Y556 HydrophobicContact CG1-CE2 4.19Å; V466-Y556 HydrophobicContact CG1-CG 3.22Å | ||
| 467 | A | 80.2 | Confident | 83.5 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -73.5 | 61 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K473 F515 N553 | A467-K473 HydrophobicContact CB-CG 4.12Å; A467-K473 WeakPolarHBondContact O-CE 3.32Å; A467-F515 HydrophobicContact CB-CD1 3.95Å; A467-F515 HydrophobicContact CB-CD2 4.26Å; A467-F515 HydrophobicContact CB-CE1 3.98Å; A467-F515 HydrophobicContact CB-CE2 4.29Å; A467-F515 HydrophobicContact CB-CG 4.1Å; A467-F515 HydrophobicContact CB-CZ 4.15Å; A467-F515 VanDerWaalsContact N-CE1 3.33Å; A467-N553 PolarHBondContact N-OD1 2.98Å |
| 468 | D | 79.3 | Confident | 84 | Confident | 88 Ų | 88 | 48.3 Ų | 48.3 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | trans | -82.1 | -52.7 | -178.4 | 56.3 | 5 | 0 | 0 | 0 | 112.9 | V466 | V466-D468 PolarHBondContact O-N 3.5Š| ||
| 469 | S | 85.2 | Confident | 84.8 | Confident | 33 Ų | 33 | 48.3 Ų | 48.3 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -93.3 | 134.3 | -179.2 | 175.3 | 0 | 0 | 0 | 0 | 112.7 | L471 C472 K473 | S469-L471 PolarHBondContact O-N 3.43Å; S469-L471 PolarHBondContact OG-N 2.95Å; S469-C472 WeakPolarHBondContact O-CB 3.44Å; S469-C472 PolarHBondContact O-N 3.32Å; S469-K473 PolarHBondContact O-N 2.98Å |
| 470 | E | 86.1 | Confident | 86 | Confident | 92 Ų | 92 | 44.6 Ų | 44.6 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.7 | -30.6 | 170.3 | -65.8 | -52 | 130.3 | 0 | 0 | 113.1 | K473 L474 | E470-K473 PolarHBondContact O-N 3.25Å; E470-K473 WeakPolarHBondContact OE1-CD 3.5Å; E470-K473 WeakPolarHBondContact OE1-CE 3.35Å; E470-K473 IonicContact OE1-NZ 3.9Å; E470-K473 PolarHBondContact OE1-NZ 3.24Å; E470-L474 WeakPolarHBondContact O-CB 3.48Å; E470-L474 VanDerWaalsContact O-CG 3.28Å; E470-L474 WeakPolarHBondContact O-CG 3.46Å; E470-L474 PolarHBondContact O-N 2.94Å |
| 471 | L | 89.2 | Confident | 87.2 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.1 | -42.4 | 174 | 175.5 | 58.3 | 0 | 0 | 0 | 111.4 | E406 I409 R410 S469 L474 A475 | E406-L471 HydrophobicContact CG-CD2 4.02Å; I409-L471 HydrophobicContact CB-CD1 4.21Å; I409-L471 HydrophobicContact CG2-CD1 3.5Å; I409-L471 HydrophobicContact CG2-CD2 4.25Å; R410-L471 HydrophobicContact CG-CB 3.84Å; R410-L471 HydrophobicContact CG-CD1 4.18Å; S469-L471 PolarHBondContact O-N 3.43Å; S469-L471 PolarHBondContact OG-N 2.95Å; L471-L474 PolarHBondContact O-N 3.47Å; L471-A475 WeakPolarHBondContact O-CB 3.33Å; L471-A475 PolarHBondContact O-N 2.94Å |
| 472 | C | 90.3 | Very high | 88.7 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.054 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -39.4 | 177.1 | -69.3 | 0 | 0 | 0 | 0 | 111.2 | I458 S469 A476 F515 | I458-C472 HydrophobicContact CD1-CB 4.42Å; I458-C472 WeakPolarHBondContact CD1-O 3.26Å; S469-C472 WeakPolarHBondContact O-CB 3.44Å; S469-C472 PolarHBondContact O-N 3.32Å; C472-A476 WeakPolarHBondContact O-CB 3.46Å; C472-A476 PolarHBondContact O-N 3.41Å; C472-A476 VanDerWaalsContact O-N 3.09Å; C472-F515 HydrophobicContact CB-CE2 4.03Å |
| 473 | K | 91.6 | Very high | 90 | Very high | 44 Ų | 44 | 27.1 Ų | 27.1 | 19% | 0.191 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -49.9 | 174.1 | -64.1 | 175.1 | -166.3 | 171.7 | 0 | 111.7 | A467 S469 E470 D477 | A467-K473 HydrophobicContact CB-CG 4.12Å; A467-K473 WeakPolarHBondContact O-CE 3.32Å; S469-K473 PolarHBondContact O-N 2.98Å; E470-K473 PolarHBondContact O-N 3.25Å; E470-K473 WeakPolarHBondContact OE1-CD 3.5Å; E470-K473 WeakPolarHBondContact OE1-CE 3.35Å; E470-K473 IonicContact OE1-NZ 3.9Å; E470-K473 PolarHBondContact OE1-NZ 3.24Å; K473-D477 WeakPolarHBondContact O-CB 3.43Å; K473-D477 PolarHBondContact O-N 2.99Å |
| 474 | L | 93.6 | Very high | 90.9 | Very high | 45 Ų | 45 | 24.8 Ų | 24.8 | 24% | 0.236 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.4 | -44.3 | -179.3 | -73.3 | 167.7 | 0 | 0 | 0 | 112.8 | R410 C413 E470 L471 D477 V478 | R410-L474 HydrophobicContact CB-CD1 3.96Å; R410-L474 HydrophobicContact CG-CD1 4.15Å; C413-L474 HydrophobicContact CB-CB 3.88Å; E470-L474 WeakPolarHBondContact O-CB 3.48Å; E470-L474 VanDerWaalsContact O-CG 3.28Å; E470-L474 WeakPolarHBondContact O-CG 3.46Å; E470-L474 PolarHBondContact O-N 2.94Å; L471-L474 PolarHBondContact O-N 3.47Å; L474-D477 PolarHBondContact O-N 2.93Å; L474-V478 WeakPolarHBondContact O-CG2 3.39Å; L474-V478 PolarHBondContact O-N 2.92Å |
| 475 | A | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.1 | -39.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q452 I458 L471 V478 I479 | Q452-A475 VanDerWaalsContact OE1-CB 3.26Å; I458-A475 HydrophobicContact CD1-CB 3.96Å; I458-A475 HydrophobicContact CG1-CB 4.48Å; L471-A475 WeakPolarHBondContact O-CB 3.33Å; L471-A475 PolarHBondContact O-N 2.94Å; A475-V478 PolarHBondContact O-N 2.98Å; A475-I479 WeakPolarHBondContact O-CD1 3.29Å; A475-I479 WeakPolarHBondContact O-CG1 3.2Å; A475-I479 PolarHBondContact O-N 3.32Å; A475-I479 VanDerWaalsContact O-N 3.1Å |
| 476 | A | 94.6 | Very high | 92.6 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I458 C472 I479 L480 P512 F515 | I458-A476 HydrophobicContact CD1-CB 4.23Å; C472-A476 WeakPolarHBondContact O-CB 3.46Å; C472-A476 PolarHBondContact O-N 3.41Å; C472-A476 VanDerWaalsContact O-N 3.09Å; A476-I479 PolarHBondContact O-N 3.42Å; A476-L480 PolarHBondContact O-N 3.42Å; A476-L480 VanDerWaalsContact O-N 3.08Å; A476-P512 HydrophobicContact CB-CB 3.72Å; A476-P512 HydrophobicContact CB-CG 3.9Å; A476-F515 HydrophobicContact CB-CD2 3.72Å; A476-F515 HydrophobicContact CB-CE2 4.35Å |
| 477 | D | 95.5 | Very high | 93.2 | Very high | 23 Ų | 23 | 20.1 Ų | 20.1 | 12% | 0.123 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.3 | -40.6 | 177.3 | 176.4 | 84.8 | 0 | 0 | 0 | 112.1 | K473 L474 I479 L480 K481 Q524 | K473-D477 WeakPolarHBondContact O-CB 3.43Å; K473-D477 PolarHBondContact O-N 2.99Å; L474-D477 PolarHBondContact O-N 2.93Å; D477-I479 PolarHBondContact O-N 2.99Å; D477-L480 PolarHBondContact O-N 2.79Å; D477-K481 WeakPolarHBondContact O-CB 3.41Å; D477-K481 WeakPolarHBondContact O-CG 3.46Å; D477-K481 PolarHBondContact O-N 3.45Å; D477-K481 IonicContact OD1-NZ 3.23Å; D477-K481 PolarHBondContact OD1-NZ 2.61Å; D477-K481 IonicContact OD2-NZ 3.83Å; D477-K481 PolarHBondContact OD2-NZ 2.77Å; D477-Q524 PolarHBondContact OD1-NE2 3.43Å |
| 478 | V | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 172.3 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | C413 I416 A417 I420 Q452 L474 A475 K481 T482 | C413-V478 WeakPolarHBondContact O-CG2 3.45Å; I416-V478 HydrophobicContact CB-CG2 4.44Å; I416-V478 HydrophobicContact CG2-CG1 3.54Å; I416-V478 HydrophobicContact CG2-CG2 4.16Å; A417-V478 HydrophobicContact CB-CG2 3.83Å; I420-V478 HydrophobicContact CD1-CG1 3.78Å; Q452-V478 HydrophobicContact CG-CB 4.12Å; Q452-V478 HydrophobicContact CG-CG1 3.65Å; L474-V478 WeakPolarHBondContact O-CG2 3.39Å; L474-V478 PolarHBondContact O-N 2.92Å; A475-V478 PolarHBondContact O-N 2.98Å; V478-K481 PolarHBondContact O-N 2.97Å; V478-T482 WeakPolarHBondContact O-CB 3.4Å; V478-T482 PolarHBondContact O-N 3.32Å; V478-T482 PolarHBondContact O-OG1 2.98Å |
| 479 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 179.1 | -68.9 | 159.5 | 0 | 0 | 0 | 110.4 | I449 Q452 F453 I458 A475 A476 D477 T482 L483 L509 P512 | I449-I479 HydrophobicContact CG2-CG2 4.4Å; Q452-I479 HydrophobicContact CB-CD1 3.83Å; Q452-I479 HydrophobicContact CB-CG1 3.62Å; Q452-I479 HydrophobicContact CG-CG1 4.42Å; F453-I479 HydrophobicContact CD1-CD1 3.69Å; F453-I479 HydrophobicContact CE1-CD1 3.64Å; F453-I479 HydrophobicContact CG-CD1 4.14Å; F453-I479 HydrophobicContact CZ-CD1 4.08Å; F453-I479 HydrophobicContact CZ-CG2 4.25Å; I458-I479 HydrophobicContact CG1-CD1 4.42Å; A475-I479 WeakPolarHBondContact O-CD1 3.29Å; A475-I479 WeakPolarHBondContact O-CG1 3.2Å; A475-I479 PolarHBondContact O-N 3.32Å; A475-I479 VanDerWaalsContact O-N 3.1Å; A476-I479 PolarHBondContact O-N 3.42Å; D477-I479 PolarHBondContact O-N 2.99Å; I479-T482 PolarHBondContact O-N 3.39Å; I479-L483 HydrophobicContact CG2-CD1 4.14Å; I479-L483 WeakPolarHBondContact O-CG 3.28Å; I479-L483 PolarHBondContact O-N 2.75Å; I479-L509 HydrophobicContact CG2-CD1 4.01Å; I479-P512 HydrophobicContact CD1-CG 4.33Å |
| 480 | L | 97.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.6 | -44 | 177.5 | -97 | 61.5 | 0 | 0 | 0 | 112.6 | A476 D477 T482 L483 D484 L509 P512 A516 | A476-L480 PolarHBondContact O-N 3.42Å; A476-L480 VanDerWaalsContact O-N 3.08Å; D477-L480 PolarHBondContact O-N 2.79Å; L480-T482 VanDerWaalsContact C-N 3.3Å; L480-T482 PolarHBondContact O-N 2.89Å; L480-L483 PolarHBondContact O-N 3.02Å; L480-D484 PolarHBondContact O-N 2.95Å; L480-L509 HydrophobicContact CD1-CD1 4Å; L480-P512 HydrophobicContact CD1-CB 3.42Å; L480-P512 VanDerWaalsContact CD1-CB 3.42Å; L480-A516 HydrophobicContact CD2-CB 3.33Å |
| 481 | K | 97.9 | Very high | 95.7 | Very high | 31 Ų | 31 | 19.9 Ų | 19.9 | 14% | 0.135 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.3 | -39.5 | 174.1 | -76.5 | -176.4 | 166.9 | 80.6 | 0 | 111.9 | A417 I420 E421 L424 D477 V478 D484 L485 | A417-K481 HydrophobicContact CB-CD 4.27Å; I420-K481 HydrophobicContact CB-CB 4.31Å; I420-K481 HydrophobicContact CD1-CB 4.36Å; I420-K481 HydrophobicContact CG2-CB 3.77Å; I420-K481 WeakPolarHBondContact CG2-O 3.17Å; E421-K481 HydrophobicContact CG-CD 4.1Å; E421-K481 VanDerWaalsContact CG-CE 3.45Å; E421-K481 VanDerWaalsContact OE1-CE 3.27Å; E421-K481 WeakPolarHBondContact OE1-CE 3.34Å; E421-K481 IonicContact OE1-NZ 2.91Å; L424-K481 HydrophobicContact CD1-CB 4.3Å; L424-K481 HydrophobicContact CD1-CG 4.37Å; D477-K481 WeakPolarHBondContact O-CB 3.41Å; D477-K481 WeakPolarHBondContact O-CG 3.46Å; D477-K481 PolarHBondContact O-N 3.45Å; D477-K481 IonicContact OD1-NZ 3.23Å; D477-K481 PolarHBondContact OD1-NZ 2.61Å; D477-K481 IonicContact OD2-NZ 3.83Å; D477-K481 PolarHBondContact OD2-NZ 2.77Å; V478-K481 PolarHBondContact O-N 2.97Å; K481-D484 PolarHBondContact O-N 3.25Å; K481-L485 PolarHBondContact O-N 2.95Å |
| 482 | T | 98.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.6 | -52.6 | 0 | 0 | 0 | 0 | 111.1 | I420 C445 L448 I449 V478 I479 L480 L485 I486 | I420-T482 VanDerWaalsContact CD1-OG1 3.3Å; I420-T482 WeakPolarHBondContact CD1-OG1 3.33Å; C445-T482 HydrophobicContact CB-CG2 4.13Å; L448-T482 HydrophobicContact CD2-CG2 4.37Å; I449-T482 HydrophobicContact CD1-CG2 3.87Å; I449-T482 HydrophobicContact CG1-CG2 3.87Å; V478-T482 WeakPolarHBondContact O-CB 3.4Å; V478-T482 PolarHBondContact O-N 3.32Å; V478-T482 PolarHBondContact O-OG1 2.98Å; I479-T482 PolarHBondContact O-N 3.39Å; L480-T482 VanDerWaalsContact C-N 3.3Å; L480-T482 PolarHBondContact O-N 2.89Å; T482-L485 PolarHBondContact O-N 3.43Å; T482-I486 HydrophobicContact CG2-CD1 4.16Å; T482-I486 VanDerWaalsContact O-CG1 3.25Å; T482-I486 WeakPolarHBondContact O-CG1 3.47Å; T482-I486 PolarHBondContact O-N 3.2Å |
| 483 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 176.1 | -77.3 | 170.7 | 0 | 0 | 0 | 112.9 | I449 I479 L480 L485 I486 N487 F500 I503 L504 L509 I531 | I449-L483 HydrophobicContact CD1-CD2 4.11Å; I449-L483 HydrophobicContact CD1-CG 4.15Å; I479-L483 HydrophobicContact CG2-CD1 4.14Å; I479-L483 WeakPolarHBondContact O-CG 3.28Å; I479-L483 PolarHBondContact O-N 2.75Å; L480-L483 PolarHBondContact O-N 3.02Å; L483-L485 VanDerWaalsContact C-N 3.34Å; L483-I486 HydrophobicContact CD2-CD1 4.16Å; L483-I486 PolarHBondContact O-N 3.24Å; L483-N487 WeakPolarHBondContact O-CB 3.32Å; L483-N487 PolarHBondContact O-N 3.04Å; L483-F500 HydrophobicContact CB-CE2 4.43Å; L483-F500 HydrophobicContact CD2-CD2 3.96Å; L483-F500 HydrophobicContact CD2-CE2 4.04Å; L483-F500 WeakPolarHBondContact O-CE2 3.27Å; L483-I503 HydrophobicContact CD1-CG2 4.39Å; L483-I503 HydrophobicContact CD2-CB 4.17Å; L483-I503 HydrophobicContact CD2-CD1 4.21Å; L483-I503 HydrophobicContact CD2-CG2 3.85Å; L483-L504 HydrophobicContact CD1-CD1 4.42Å; L483-L504 HydrophobicContact CD2-CD1 3.81Å; L483-L509 HydrophobicContact CD1-CD1 3.46Å; L483-L509 VanDerWaalsContact CD1-CD1 3.46Å; L483-L509 HydrophobicContact CD1-CD2 3.84Å; L483-L509 HydrophobicContact CD1-CG 4.32Å; L483-I531 HydrophobicContact CB-CD1 3.93Å; L483-I531 HydrophobicContact CB-CG1 4.25Å; L483-I531 HydrophobicContact CD1-CG2 4.23Å |
| 484 | D | 97.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 26.8 Ų | 26.8 | 6% | 0.059 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 173.9 | -166.9 | 47.8 | 0 | 0 | 0 | 111.6 | L424 L480 K481 N487 K488 R530 | L424-D484 HydrophobicContact CD2-CB 4.18Å; L480-D484 PolarHBondContact O-N 2.95Å; K481-D484 PolarHBondContact O-N 3.25Å; D484-N487 WeakPolarHBondContact O-CB 3.3Å; D484-N487 PolarHBondContact O-N 3.49Å; D484-K488 PolarHBondContact O-N 3.32Å; D484-R530 VanDerWaalsContact OD1-CD 3.29Å; D484-R530 WeakPolarHBondContact OD1-CD 3.34Å; D484-R530 IonicContact OD1-CZ 3.9Å; D484-R530 IonicContact OD1-NE 3.41Å; D484-R530 IonicContact OD1-NH1 2.97Å; D484-R530 PolarHBondContact OD1-NH1 2.92Å; D484-R530 IonicContact OD2-NH1 3.95Å; D484-R530 PolarHBondContact OD2-NH1 3.13Å |
| 485 | L | 97.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | 174.6 | -178.3 | 62.2 | 0 | 0 | 0 | 111.5 | I420 L423 L424 L440 K481 T482 L483 N487 K488 L489 | I420-L485 HydrophobicContact CG2-CB 4.23Å; I420-L485 HydrophobicContact CG2-CD2 4.14Å; L423-L485 HydrophobicContact CB-CD1 3.89Å; L423-L485 HydrophobicContact CB-CD2 3.8Å; L423-L485 HydrophobicContact CD1-CD2 3.74Å; L423-L485 HydrophobicContact CG-CD2 4.44Å; L424-L485 HydrophobicContact CD2-CB 3.87Å; L424-L485 HydrophobicContact CD2-CD1 4.23Å; L424-L485 HydrophobicContact CG-CB 4.37Å; L440-L485 HydrophobicContact CD2-CD2 3.72Å; L440-L485 HydrophobicContact CD2-CG 4.31Å; K481-L485 PolarHBondContact O-N 2.95Å; T482-L485 PolarHBondContact O-N 3.43Å; L483-L485 VanDerWaalsContact C-N 3.34Å; L485-N487 VanDerWaalsContact C-N 3.29Å; L485-N487 PolarHBondContact O-N 3.14Å; L485-K488 PolarHBondContact O-N 2.99Å; L485-L489 HydrophobicContact CD1-CD1 3.86Å; L485-L489 HydrophobicContact CD1-CG 4.34Å; L485-L489 HydrophobicContact CG-CD1 3.91Å; L485-L489 WeakPolarHBondContact O-CB 3.45Å; L485-L489 VanDerWaalsContact O-CG 3.28Å; L485-L489 WeakPolarHBondContact O-CG 3.29Å; L485-L489 PolarHBondContact O-N 2.91Å; L485-L489 VanDerWaalsContact O-N 3.14Å |
| 486 | I | 98.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.8 | -44.2 | 171.1 | -68.2 | 161.8 | 0 | 0 | 0 | 110.1 | C445 I449 T482 L483 K488 L489 K490 M496 F500 I503 | C445-I486 HydrophobicContact CB-CD1 3.76Å; C445-I486 HydrophobicContact CB-CG1 3.82Å; I449-I486 HydrophobicContact CD1-CD1 3.84Å; T482-I486 HydrophobicContact CG2-CD1 4.16Å; T482-I486 VanDerWaalsContact O-CG1 3.25Å; T482-I486 WeakPolarHBondContact O-CG1 3.47Å; T482-I486 PolarHBondContact O-N 3.2Å; L483-I486 HydrophobicContact CD2-CD1 4.16Å; L483-I486 PolarHBondContact O-N 3.24Å; I486-K488 VanDerWaalsContact C-N 3.34Å; I486-K488 PolarHBondContact O-N 3.19Å; I486-L489 CarbonylContact O-C 3.56Å; I486-L489 PolarHBondContact O-N 3.45Å; I486-K490 PolarHBondContact O-N 3.44Å; I486-M496 HydrophobicContact CG2-CG 3.69Å; I486-M496 HydrophobicContact CG2-SD 4.09Å; I486-F500 HydrophobicContact CB-CD2 4.07Å; I486-F500 HydrophobicContact CG2-CB 3.65Å; I486-F500 HydrophobicContact CG2-CD2 3.46Å; I486-F500 VanDerWaalsContact CG2-CD2 3.46Å; I486-F500 HydrophobicContact CG2-CE2 4.44Å; I486-F500 HydrophobicContact CG2-CG 3.89Å; I486-I503 HydrophobicContact CD1-CD1 4.19Å |
| 487 | N | 97.1 | Very high | 96.6 | Very high | 24 Ų | 24 | 31.3 Ų | 31.3 | 13% | 0.128 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.3 | -36.1 | -178.2 | -159.7 | 25.7 | 0 | 0 | 0 | 112.6 | L483 D484 L485 L489 K490 F500 E534 | L483-N487 WeakPolarHBondContact O-CB 3.32Å; L483-N487 PolarHBondContact O-N 3.04Å; D484-N487 WeakPolarHBondContact O-CB 3.3Å; D484-N487 PolarHBondContact O-N 3.49Å; L485-N487 VanDerWaalsContact C-N 3.29Å; L485-N487 PolarHBondContact O-N 3.14Å; N487-L489 VanDerWaalsContact C-N 3.34Å; N487-K490 WeakPolarHBondContact O-CG 3.34Å; N487-K490 WeakPolarHBondContact OD1-CD 3.31Å; N487-K490 WeakPolarHBondContact OD1-CE 3.18Å; N487-K490 PolarHBondContact OD1-NZ 3.09Å; N487-F500 HydrophobicContact CB-CE2 3.87Å; N487-F500 HydrophobicContact CB-CZ 3.79Å; N487-E534 PolarHBondContact OD1-OE1 3.48Å |
| 488 | K | 96.9 | Very high | 96.6 | Very high | 72 Ų | 72 | 35.4 Ų | 35.4 | 31% | 0.313 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.1 | -26.7 | 172.2 | -68.9 | -168.7 | -175.2 | -167.4 | 0 | 113.7 | L424 C427 D484 L485 I486 | L424-K488 HydrophobicContact CD2-CD 4.15Å; L424-K488 PolarHBondContact O-NZ 2.8Å; C427-K488 HydrophobicContact CB-CB 4.32Å; C427-K488 HydrophobicContact CB-CD 3.59Å; D484-K488 PolarHBondContact O-N 3.32Å; L485-K488 PolarHBondContact O-N 2.99Å; I486-K488 VanDerWaalsContact C-N 3.34Å; I486-K488 PolarHBondContact O-N 3.19Å |
| 489 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -100.6 | -11.8 | -174.8 | -66 | 172.8 | 0 | 0 | 0 | 114.3 | K433 I436 A437 L440 L485 I486 N487 L492 V493 M496 | K433-L489 HydrophobicContact CG-CD2 3.92Å; I436-L489 HydrophobicContact CB-CD2 4.39Å; I436-L489 HydrophobicContact CG2-CD1 3.73Å; I436-L489 HydrophobicContact CG2-CD2 4.07Å; A437-L489 HydrophobicContact CB-CD2 4.12Å; L440-L489 HydrophobicContact CD2-CD1 3.8Å; L485-L489 HydrophobicContact CD1-CD1 3.86Å; L485-L489 HydrophobicContact CD1-CG 4.34Å; L485-L489 HydrophobicContact CG-CD1 3.91Å; L485-L489 WeakPolarHBondContact O-CB 3.45Å; L485-L489 VanDerWaalsContact O-CG 3.28Å; L485-L489 WeakPolarHBondContact O-CG 3.29Å; L485-L489 PolarHBondContact O-N 2.91Å; L485-L489 VanDerWaalsContact O-N 3.14Å; I486-L489 CarbonylContact O-C 3.56Å; I486-L489 PolarHBondContact O-N 3.45Å; N487-L489 VanDerWaalsContact C-N 3.34Å; L489-L492 PolarHBondContact O-N 3.02Å; L489-V493 HydrophobicContact CB-CG2 4.33Å; L489-V493 PolarHBondContact O-N 3.48Å; L489-M496 HydrophobicContact CB-SD 3.62Å |
| 490 | K | 93.9 | Very high | 96.6 | Very high | 32 Ų | 32 | 36.8 Ų | 36.8 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -36.2 | -174.7 | 74.9 | -176 | 176.3 | -172.3 | 0 | 116.5 | I486 N487 L492 E497 F500 Y501 E534 | I486-K490 PolarHBondContact O-N 3.44Å; N487-K490 WeakPolarHBondContact O-CG 3.34Å; N487-K490 WeakPolarHBondContact OD1-CD 3.31Å; N487-K490 WeakPolarHBondContact OD1-CE 3.18Å; N487-K490 PolarHBondContact OD1-NZ 3.09Å; K490-L492 VanDerWaalsContact C-N 3.34Å; K490-E497 HydrophobicContact CB-CB 4.16Å; K490-E497 HydrophobicContact CD-CG 4.5Å; K490-F500 HydrophobicContact CD-CD1 4.23Å; K490-F500 HydrophobicContact CD-CE1 4.5Å; K490-Y501 PolarHBondContact NZ-OH 3.42Å; K490-E534 IonicContact NZ-OE1 3.84Å; K490-E534 PolarHBondContact NZ-OE1 2.91Å |
| 491 | P | 94.8 | Very high | 96.6 | Very high | 104 Ų | 104 | 39.7 Ų | 39.7 | 68% | 0.675 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -10.7 | 177.5 | 33.2 | -35.7 | 0 | 0 | 0 | 114.1 | ||
| 492 | L | 96.5 | Very high | 96.5 | Very high | 65 Ų | 65 | 44.4 Ų | 44.4 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103 | -29.4 | -174.9 | -56.2 | -179.1 | 0 | 0 | 0 | 113.1 | K433 M434 A437 L489 K490 | K433-L492 HydrophobicContact CD-CD1 4.21Å; K433-L492 HydrophobicContact CG-CD1 3.8Å; M434-L492 HydrophobicContact SD-CD1 3.87Å; M434-L492 HydrophobicContact SD-CD2 3.82Å; M434-L492 HydrophobicContact SD-CG 4.33Å; A437-L492 HydrophobicContact CB-CB 3.59Å; A437-L492 HydrophobicContact CB-CD1 3.93Å; A437-L492 HydrophobicContact CB-CG 4.44Å; L489-L492 PolarHBondContact O-N 3.02Å; K490-L492 VanDerWaalsContact C-N 3.34Å |
| 493 | V | 96.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -105.1 | 113.9 | -176.2 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | A437 L489 G495 M496 | A437-V493 HydrophobicContact CB-CG2 3.87Å; L489-V493 HydrophobicContact CB-CG2 4.33Å; L489-V493 PolarHBondContact O-N 3.48Å; V493-G495 PolarHBondContact O-N 3.31Å; V493-M496 HydrophobicContact CB-CB 3.81Å; V493-M496 HydrophobicContact CB-CE 3.87Å; V493-M496 HydrophobicContact CB-CG 4.47Å; V493-M496 HydrophobicContact CB-SD 3.9Å; V493-M496 HydrophobicContact CG1-CB 4.1Å; V493-M496 HydrophobicContact CG1-CE 3.82Å; V493-M496 HydrophobicContact CG1-SD 4.46Å; V493-M496 HydrophobicContact CG2-CE 4.01Å; V493-M496 HydrophobicContact CG2-SD 4.1Å; V493-M496 WeakPolarHBondContact O-CB 3.45Å; V493-M496 PolarHBondContact O-N 3.4Å; V493-M496 VanDerWaalsContact O-N 3.08Å |
| 494 | P | 92.8 | Very high | 96.4 | Very high | 121 Ų | 121 | 45.1 Ų | 45.1 | 79% | 0.786 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 133.6 | -174.1 | 24.6 | -33.8 | 0 | 0 | 0 | 112 | M496 | P494-M496 PolarHBondContact O-N 2.9Š|
| 495 | G | 92.9 | Very high | 96.2 | Very high | 51 Ų | 51 | 47.7 Ų | 47.7 | 53% | 0.526 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -7.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V493 E497 S499 | V493-G495 PolarHBondContact O-N 3.31Å; G495-E497 PolarHBondContact O-N 3.43Å; G495-S499 PolarHBondContact O-N 3.12Å |
| 496 | M | 97.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.5 | -39.1 | 177.3 | -176.1 | 168.7 | -80.6 | 0 | 0 | 112.2 | T442 I486 L489 V493 P494 S499 F500 | T442-M496 HydrophobicContact CG2-CB 4.32Å; T442-M496 HydrophobicContact CG2-CG 4.44Å; I486-M496 HydrophobicContact CG2-CG 3.69Å; I486-M496 HydrophobicContact CG2-SD 4.09Å; L489-M496 HydrophobicContact CB-SD 3.62Å; V493-M496 HydrophobicContact CB-CB 3.81Å; V493-M496 HydrophobicContact CB-CE 3.87Å; V493-M496 HydrophobicContact CB-CG 4.47Å; V493-M496 HydrophobicContact CB-SD 3.9Å; V493-M496 HydrophobicContact CG1-CB 4.1Å; V493-M496 HydrophobicContact CG1-CE 3.82Å; V493-M496 HydrophobicContact CG1-SD 4.46Å; V493-M496 HydrophobicContact CG2-CE 4.01Å; V493-M496 HydrophobicContact CG2-SD 4.1Å; V493-M496 WeakPolarHBondContact O-CB 3.45Å; V493-M496 PolarHBondContact O-N 3.4Å; V493-M496 VanDerWaalsContact O-N 3.08Å; P494-M496 PolarHBondContact O-N 2.9Å; M496-S499 WeakPolarHBondContact O-CB 3.31Å; M496-S499 PolarHBondContact O-N 2.97Å; M496-F500 WeakPolarHBondContact O-CB 3.47Å; M496-F500 PolarHBondContact O-N 3.36Å |
| 497 | E | 96.5 | Very high | 95.7 | Very high | 91 Ų | 91 | 53.3 Ų | 53.3 | 43% | 0.425 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 178.2 | -177.8 | 167.5 | -140.9 | 0 | 0 | 113.5 | K490 G495 S499 F500 Y501 | K490-E497 HydrophobicContact CB-CB 4.16Å; K490-E497 HydrophobicContact CD-CG 4.5Å; G495-E497 PolarHBondContact O-N 3.43Å; E497-S499 VanDerWaalsContact C-N 3.29Å; E497-S499 PolarHBondContact O-N 3.17Å; E497-F500 WeakPolarHBondContact O-CB 3.36Å; E497-F500 PolarHBondContact O-N 2.9Å; E497-Y501 HydrophobicContact CG-CD2 3.88Å; E497-Y501 HydrophobicContact CG-CE2 3.36Å; E497-Y501 VanDerWaalsContact O-CD2 3.25Å; E497-Y501 WeakPolarHBondContact O-CD2 3.4Å; E497-Y501 PolarHBondContact O-N 3.13Å; E497-Y501 VanDerWaalsContact O-N 3.15Å; E497-Y501 PolarHBondContact OE1-OH 2.54Å |
| 498 | V | 95.5 | Very high | 95.6 | Very high | 109 Ų | 109 | 54.9 Ų | 54.9 | 66% | 0.661 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.1 | -38.3 | 177.1 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | K502 | V498-K502 WeakPolarHBondContact O-CB 3.45Å; V498-K502 PolarHBondContact O-N 3.14Å; V498-K502 VanDerWaalsContact O-N 3.16Å |
| 499 | S | 97.1 | Very high | 95.5 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.1 | -37.7 | 175.8 | -165.8 | 0 | 0 | 0 | 0 | 112.5 | T442 T446 G495 M496 E497 K502 I503 | T442-S499 VanDerWaalsContact CG2-CB 3.4Å; T446-S499 WeakPolarHBondContact CG2-OG 3.44Å; G495-S499 PolarHBondContact O-N 3.12Å; M496-S499 WeakPolarHBondContact O-CB 3.31Å; M496-S499 PolarHBondContact O-N 2.97Å; E497-S499 VanDerWaalsContact C-N 3.29Å; E497-S499 PolarHBondContact O-N 3.17Å; S499-K502 PolarHBondContact O-N 3.11Å; S499-I503 WeakPolarHBondContact O-CD1 3.32Å; S499-I503 VanDerWaalsContact O-CG1 3.28Å; S499-I503 WeakPolarHBondContact O-CG1 3.28Å; S499-I503 PolarHBondContact O-N 3.08Å; S499-I503 VanDerWaalsContact O-N 3.08Å |
| 500 | F | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.9 | -58.5 | 176.8 | 177.7 | -111.7 | 0 | 0 | 0 | 110.7 | L483 I486 N487 K490 M496 E497 K502 I503 L504 I531 E534 | L483-F500 HydrophobicContact CB-CE2 4.43Å; L483-F500 HydrophobicContact CD2-CD2 3.96Å; L483-F500 HydrophobicContact CD2-CE2 4.04Å; L483-F500 WeakPolarHBondContact O-CE2 3.27Å; I486-F500 HydrophobicContact CB-CD2 4.07Å; I486-F500 HydrophobicContact CG2-CB 3.65Å; I486-F500 HydrophobicContact CG2-CD2 3.46Å; I486-F500 VanDerWaalsContact CG2-CD2 3.46Å; I486-F500 HydrophobicContact CG2-CE2 4.44Å; I486-F500 HydrophobicContact CG2-CG 3.89Å; N487-F500 HydrophobicContact CB-CE2 3.87Å; N487-F500 HydrophobicContact CB-CZ 3.79Å; K490-F500 HydrophobicContact CD-CD1 4.23Å; K490-F500 HydrophobicContact CD-CE1 4.5Å; M496-F500 WeakPolarHBondContact O-CB 3.47Å; M496-F500 PolarHBondContact O-N 3.36Å; E497-F500 WeakPolarHBondContact O-CB 3.36Å; E497-F500 PolarHBondContact O-N 2.9Å; F500-K502 PolarHBondContact O-N 3.07Å; F500-K502 VanDerWaalsContact O-N 3.15Å; F500-I503 PolarHBondContact O-N 3.27Å; F500-L504 HydrophobicContact CD1-CD1 4.44Å; F500-L504 HydrophobicContact CD1-CD2 4.22Å; F500-L504 HydrophobicContact CD2-CD1 3.83Å; F500-L504 HydrophobicContact CE1-CD1 4.22Å; F500-L504 HydrophobicContact CE1-CD2 3.61Å; F500-L504 HydrophobicContact CE2-CD1 3.59Å; F500-L504 HydrophobicContact CE2-CD2 4.35Å; F500-L504 HydrophobicContact CG-CD1 4.27Å; F500-L504 HydrophobicContact CZ-CD1 3.8Å; F500-L504 HydrophobicContact CZ-CD2 3.69Å; F500-L504 HydrophobicContact CZ-CG 4.43Å; F500-L504 WeakPolarHBondContact O-CD1 3.31Å; F500-L504 PolarHBondContact O-N 2.79Å; F500-I531 HydrophobicContact CE2-CD1 4.26Å; F500-I531 HydrophobicContact CZ-CD1 4.26Å; F500-E534 HydrophobicContact CE1-CB 4.29Å; F500-E534 HydrophobicContact CZ-CB 4.42Å |
| 501 | Y | 96.8 | Very high | 95.4 | Very high | 66 Ų | 66 | 51.1 Ų | 51.1 | 26% | 0.259 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -25.9 | 179.2 | -64 | -51.5 | 0 | 0 | 0 | 113 | K490 E497 L504 L538 | K490-Y501 PolarHBondContact NZ-OH 3.42Å; E497-Y501 HydrophobicContact CG-CD2 3.88Å; E497-Y501 HydrophobicContact CG-CE2 3.36Å; E497-Y501 VanDerWaalsContact O-CD2 3.25Å; E497-Y501 WeakPolarHBondContact O-CD2 3.4Å; E497-Y501 PolarHBondContact O-N 3.13Å; E497-Y501 VanDerWaalsContact O-N 3.15Å; E497-Y501 PolarHBondContact OE1-OH 2.54Å; Y501-L504 HydrophobicContact CD1-CD2 4.41Å; Y501-L538 HydrophobicContact CD1-CD1 4.22Å; Y501-L538 HydrophobicContact CD1-CD2 4.43Å; Y501-L538 HydrophobicContact CG-CD2 4.46Å |
| 502 | K | 96.3 | Very high | 95.5 | Very high | 129 Ų | 129 | 46.2 Ų | 46.2 | 56% | 0.561 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -72.6 | -34.4 | 173.2 | -173.3 | 63.6 | -147.8 | 138.7 | 0 | 113.5 | V498 S499 F500 | V498-K502 WeakPolarHBondContact O-CB 3.45Å; V498-K502 PolarHBondContact O-N 3.14Å; V498-K502 VanDerWaalsContact O-N 3.16Å; S499-K502 PolarHBondContact O-N 3.11Å; F500-K502 PolarHBondContact O-N 3.07Å; F500-K502 VanDerWaalsContact O-N 3.15Å |
| 503 | I | 96.9 | Very high | 95.5 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 9% | 0.092 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.9 | -35.3 | 173.2 | -57.8 | 152.4 | 0 | 0 | 0 | 110.8 | T446 I449 L483 I486 S499 F500 Q505 D506 | T446-I503 HydrophobicContact CG2-CD1 4.22Å; I449-I503 HydrophobicContact CD1-CD1 3.95Å; I449-I503 HydrophobicContact CD1-CG2 4.41Å; I449-I503 HydrophobicContact CG2-CG2 4.33Å; L483-I503 HydrophobicContact CD1-CG2 4.39Å; L483-I503 HydrophobicContact CD2-CB 4.17Å; L483-I503 HydrophobicContact CD2-CD1 4.21Å; L483-I503 HydrophobicContact CD2-CG2 3.85Å; I486-I503 HydrophobicContact CD1-CD1 4.19Å; S499-I503 WeakPolarHBondContact O-CD1 3.32Å; S499-I503 VanDerWaalsContact O-CG1 3.28Å; S499-I503 WeakPolarHBondContact O-CG1 3.28Å; S499-I503 PolarHBondContact O-N 3.08Å; S499-I503 VanDerWaalsContact O-N 3.08Å; F500-I503 PolarHBondContact O-N 3.27Å; I503-Q505 PolarHBondContact O-N 3.01Å; I503-Q505 VanDerWaalsContact O-N 3.16Å; I503-D506 WeakPolarHBondContact O-CB 3.43Å; I503-D506 PolarHBondContact O-N 3.31Å |
| 504 | L | 96.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.7 | -16.6 | 177.5 | -91.3 | 59 | 0 | 0 | 0 | 113.7 | L483 F500 Y501 L509 I531 E534 A535 L538 | L483-L504 HydrophobicContact CD1-CD1 4.42Å; L483-L504 HydrophobicContact CD2-CD1 3.81Å; F500-L504 HydrophobicContact CD1-CD1 4.44Å; F500-L504 HydrophobicContact CD1-CD2 4.22Å; F500-L504 HydrophobicContact CD2-CD1 3.83Å; F500-L504 HydrophobicContact CE1-CD1 4.22Å; F500-L504 HydrophobicContact CE1-CD2 3.61Å; F500-L504 HydrophobicContact CE2-CD1 3.59Å; F500-L504 HydrophobicContact CE2-CD2 4.35Å; F500-L504 HydrophobicContact CG-CD1 4.27Å; F500-L504 HydrophobicContact CZ-CD1 3.8Å; F500-L504 HydrophobicContact CZ-CD2 3.69Å; F500-L504 HydrophobicContact CZ-CG 4.43Å; F500-L504 WeakPolarHBondContact O-CD1 3.31Å; F500-L504 PolarHBondContact O-N 2.79Å; Y501-L504 HydrophobicContact CD1-CD2 4.41Å; L504-L509 HydrophobicContact CD1-CD2 4.38Å; L504-L509 HydrophobicContact CG-CD2 4.39Å; L504-I531 HydrophobicContact CD1-CG2 4.33Å; L504-I531 HydrophobicContact CG-CG2 4.41Å; L504-E534 HydrophobicContact CD2-CB 3.85Å; L504-A535 HydrophobicContact CB-CB 4.17Å; L504-A535 HydrophobicContact CD2-CB 4.04Å; L504-A535 HydrophobicContact CG-CB 3.96Å; L504-L538 HydrophobicContact CB-CD1 4.01Å; L504-L538 HydrophobicContact CD2-CD1 4.31Å |
| 505 | Q | 94.6 | Very high | 95.6 | Very high | 65 Ų | 65 | 37.2 Ų | 37.2 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -0.8 | 171.2 | -67.7 | 172.9 | -5.1 | 0 | 0 | 113.9 | I503 L538 | I503-Q505 PolarHBondContact O-N 3.01Å; I503-Q505 VanDerWaalsContact O-N 3.16Å; Q505-L538 HydrophobicContact CG-CB 4.42Å; Q505-L538 HydrophobicContact CG-CD2 4.23Å |
| 506 | D | 94.6 | Very high | 95.8 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 19% | 0.193 | 18% | 0.18 | C | C | . | . | trans | -79.3 | 121.1 | -178.2 | -163.5 | -53.5 | 0 | 0 | 0 | 110.7 | I503 R508 L509 | I503-D506 WeakPolarHBondContact O-CB 3.43Å; I503-D506 PolarHBondContact O-N 3.31Å; D506-R508 PolarHBondContact O-N 3.46Å; D506-R508 VanDerWaalsContact O-N 3.12Å; D506-R508 WeakPolarHBondContact OD1-CB 3.45Å; D506-R508 WeakPolarHBondContact OD1-CG 3.39Å; D506-R508 IonicContact OD1-CZ 2.91Å; D506-R508 PolarHBondContact OD1-N 3.45Å; D506-R508 IonicContact OD1-NE 2.79Å; D506-R508 PolarHBondContact OD1-NE 2.94Å; D506-R508 IonicContact OD1-NH2 2.75Å; D506-R508 IonicContact OD2-CZ 2.88Å; D506-R508 IonicContact OD2-NE 3.15Å; D506-R508 PolarHBondContact OD2-NE 3.14Å; D506-R508 IonicContact OD2-NH2 3.83Å; D506-R508 PolarHBondContact OD2-NH2 2.95Å; D506-L509 VanDerWaalsContact O-CB 3.28Å; D506-L509 WeakPolarHBondContact O-CB 3.42Å; D506-L509 PolarHBondContact O-N 3.21Å | ||
| 507 | P | 91.4 | Very high | 95.8 | Very high | 91 Ų | 91 | 36.9 Ų | 36.9 | 59% | 0.591 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -63.3 | -19.9 | -178.3 | 26.8 | -35.3 | 0 | 0 | 0 | 113.3 | L509 I510 | P507-L509 PolarHBondContact O-N 3.29Å; P507-I510 WeakPolarHBondContact O-CB 3.5Å; P507-I510 VanDerWaalsContact O-CG1 3.27Å; P507-I510 WeakPolarHBondContact O-CG1 3.45Å; P507-I510 PolarHBondContact O-N 3.45Å |
| 508 | R | 93.8 | Very high | 95.7 | Very high | 57 Ų | 57 | 33 Ų | 33 | 22% | 0.215 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -66 | -25.1 | 175.4 | -57.5 | 176.7 | -73.9 | 168.5 | 0.1 | 112.3 | E450 F453 D459 D506 I510 P512 | E450-R508 VanDerWaalsContact CD-NH2 3.34Å; E450-R508 IonicContact OE1-CZ 2.63Å; E450-R508 IonicContact OE1-NH1 2.65Å; E450-R508 IonicContact OE1-NH2 2.61Å; E450-R508 PolarHBondContact OE1-NH2 3.44Å; E450-R508 IonicContact OE2-CZ 2.62Å; E450-R508 IonicContact OE2-NH1 2.96Å; E450-R508 PolarHBondContact OE2-NH1 2.83Å; E450-R508 IonicContact OE2-NH2 3.83Å; E450-R508 PolarHBondContact OE2-NH2 3.26Å; E450-R508 VanDerWaalsContact OE2-NH2 3.16Å; F453-R508 HydrophobicContact CD1-CB 3.73Å; F453-R508 HydrophobicContact CE1-CB 3.37Å; F453-R508 WeakPolarHBondContact CE1-O 3.45Å; F453-R508 HydrophobicContact CE2-CB 4.24Å; F453-R508 HydrophobicContact CG-CB 4.33Å; F453-R508 HydrophobicContact CZ-CB 3.66Å; D459-R508 WeakPolarHBondContact OD1-CG 3.47Å; D459-R508 WeakPolarHBondContact OD2-CD 3.31Å; D459-R508 WeakPolarHBondContact OD2-CG 3.33Å; D506-R508 PolarHBondContact O-N 3.46Å; D506-R508 VanDerWaalsContact O-N 3.12Å; D506-R508 WeakPolarHBondContact OD1-CB 3.45Å; D506-R508 WeakPolarHBondContact OD1-CG 3.39Å; D506-R508 IonicContact OD1-CZ 2.91Å; D506-R508 PolarHBondContact OD1-N 3.45Å; D506-R508 IonicContact OD1-NE 2.79Å; D506-R508 PolarHBondContact OD1-NE 2.94Å; D506-R508 IonicContact OD1-NH2 2.75Å; D506-R508 IonicContact OD2-CZ 2.88Å; D506-R508 IonicContact OD2-NE 3.15Å; D506-R508 PolarHBondContact OD2-NE 3.14Å; D506-R508 IonicContact OD2-NH2 3.83Å; D506-R508 PolarHBondContact OD2-NH2 2.95Å; R508-I510 PolarHBondContact O-N 3.38Å; R508-P512 WeakPolarHBondContact O-CD 3.34Å |
| 509 | L | 95.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -67.4 | -18.6 | 178.4 | -176.9 | 57.4 | 0 | 0 | 0 | 113.4 | I479 L480 L483 L504 D506 P507 T511 P512 L513 I531 | I479-L509 HydrophobicContact CG2-CD1 4.01Å; L480-L509 HydrophobicContact CD1-CD1 4Å; L483-L509 HydrophobicContact CD1-CD1 3.46Å; L483-L509 VanDerWaalsContact CD1-CD1 3.46Å; L483-L509 HydrophobicContact CD1-CD2 3.84Å; L483-L509 HydrophobicContact CD1-CG 4.32Å; L504-L509 HydrophobicContact CD1-CD2 4.38Å; L504-L509 HydrophobicContact CG-CD2 4.39Å; D506-L509 VanDerWaalsContact O-CB 3.28Å; D506-L509 WeakPolarHBondContact O-CB 3.42Å; D506-L509 PolarHBondContact O-N 3.21Å; P507-L509 PolarHBondContact O-N 3.29Å; L509-T511 PolarHBondContact O-N 2.86Å; L509-P512 HydrophobicContact CD1-CB 4.49Å; L509-P512 WeakPolarHBondContact O-CD 3.45Å; L509-L513 HydrophobicContact CD1-CG 4.41Å; L509-L513 HydrophobicContact CD2-CD1 4.44Å; L509-L513 HydrophobicContact CG-CD1 4.02Å; L509-L513 HydrophobicContact CG-CG 4.13Å; L509-L513 WeakPolarHBondContact O-CG 3.49Å; L509-L513 PolarHBondContact O-N 3.25Å; L509-I531 HydrophobicContact CD2-CG2 4.39Å |
| 510 | I | 95.1 | Very high | 95.4 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.2 | -39.4 | -177.3 | -59.3 | -60.9 | 0 | 0 | 0 | 112.1 | P507 R508 L513 A514 F541 P542 V545 L546 | P507-I510 WeakPolarHBondContact O-CB 3.5Å; P507-I510 VanDerWaalsContact O-CG1 3.27Å; P507-I510 WeakPolarHBondContact O-CG1 3.45Å; P507-I510 PolarHBondContact O-N 3.45Å; R508-I510 PolarHBondContact O-N 3.38Å; I510-L513 PolarHBondContact O-N 2.91Å; I510-A514 WeakPolarHBondContact O-CB 3.48Å; I510-A514 PolarHBondContact O-N 2.84Å; I510-F541 HydrophobicContact CD1-CE2 3.91Å; I510-F541 HydrophobicContact CD1-CZ 4Å; I510-P542 HydrophobicContact CD1-CG 3.7Å; I510-P542 HydrophobicContact CG1-CG 3.78Å; I510-V545 HydrophobicContact CG2-CG1 4.27Å; I510-L546 HydrophobicContact CD1-CB 4.33Å; I510-L546 HydrophobicContact CG2-CB 3.9Å; I510-L546 HydrophobicContact CG2-CD1 3.95Å |
| 511 | T | 94.1 | Very high | 95.2 | Very high | 17 Ų | 17 | 38 Ų | 38 | 10% | 0.104 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.6 | -51 | 177.6 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | I458 K465 L509 L513 A514 F515 | I458-T511 HydrophobicContact CG2-CG2 3.93Å; K465-T511 HydrophobicContact CB-CG2 3.54Å; K465-T511 HydrophobicContact CG-CG2 4.39Å; L509-T511 PolarHBondContact O-N 2.86Å; T511-L513 VanDerWaalsContact C-N 3.35Å; T511-L513 PolarHBondContact O-N 3.43Å; T511-A514 PolarHBondContact O-N 3.07Å; T511-F515 HydrophobicContact CG2-CD1 4.11Å; T511-F515 HydrophobicContact CG2-CE1 3.51Å; T511-F515 HydrophobicContact CG2-CE2 4.08Å; T511-F515 HydrophobicContact CG2-CZ 3.49Å; T511-F515 VanDerWaalsContact CG2-CZ 3.49Å; T511-F515 VanDerWaalsContact O-CD1 3.28Å; T511-F515 WeakPolarHBondContact O-CD1 3.48Å; T511-F515 WeakPolarHBondContact O-CG 3.41Å; T511-F515 PolarHBondContact O-N 3.19Å |
| 512 | P | 96.1 | Very high | 95.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56.7 | -39.3 | 171.7 | -28.7 | 35.5 | 0 | 0 | 0 | 115.2 | F453 I458 A476 I479 L480 R508 L509 F515 A516 | F453-P512 HydrophobicContact CE1-CG 4.37Å; I458-P512 HydrophobicContact CG2-CG 4.32Å; A476-P512 HydrophobicContact CB-CB 3.72Å; A476-P512 HydrophobicContact CB-CG 3.9Å; I479-P512 HydrophobicContact CD1-CG 4.33Å; L480-P512 HydrophobicContact CD1-CB 3.42Å; L480-P512 VanDerWaalsContact CD1-CB 3.42Å; R508-P512 WeakPolarHBondContact O-CD 3.34Å; L509-P512 HydrophobicContact CD1-CB 4.49Å; L509-P512 WeakPolarHBondContact O-CD 3.45Å; P512-F515 PolarHBondContact O-N 3.45Å; P512-A516 PolarHBondContact O-N 3.48Å |
| 513 | L | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -46.3 | 174.3 | -75.2 | 173.1 | 0 | 0 | 0 | 111.5 | L509 I510 T511 F515 A516 L517 G528 I531 L532 F541 L546 | L509-L513 HydrophobicContact CD1-CG 4.41Å; L509-L513 HydrophobicContact CD2-CD1 4.44Å; L509-L513 HydrophobicContact CG-CD1 4.02Å; L509-L513 HydrophobicContact CG-CG 4.13Å; L509-L513 WeakPolarHBondContact O-CG 3.49Å; L509-L513 PolarHBondContact O-N 3.25Å; I510-L513 PolarHBondContact O-N 2.91Å; T511-L513 VanDerWaalsContact C-N 3.35Å; T511-L513 PolarHBondContact O-N 3.43Å; L513-F515 PolarHBondContact O-N 3.22Å; L513-A516 PolarHBondContact O-N 2.72Å; L513-L517 HydrophobicContact CB-CD1 4.45Å; L513-L517 WeakPolarHBondContact O-CB 3.45Å; L513-L517 WeakPolarHBondContact O-CD1 3.27Å; L513-L517 VanDerWaalsContact O-CG 3.22Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.44Å; L513-G528 WeakPolarHBondContact CD2-O 3.37Å; L513-I531 HydrophobicContact CD2-CB 4.08Å; L513-I531 HydrophobicContact CD2-CG2 4.05Å; L513-L532 HydrophobicContact CD2-CB 4.44Å; L513-F541 HydrophobicContact CD1-CZ 4.44Å; L513-L546 HydrophobicContact CB-CD1 3.91Å |
| 514 | A | 96.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I510 T511 A516 T518 L546 S549 I550 | I510-A514 WeakPolarHBondContact O-CB 3.48Å; I510-A514 PolarHBondContact O-N 2.84Å; T511-A514 PolarHBondContact O-N 3.07Å; A514-A516 VanDerWaalsContact C-N 3.32Å; A514-A516 PolarHBondContact O-N 2.93Å; A514-T518 WeakPolarHBondContact O-CB 3.34Å; A514-T518 WeakPolarHBondContact O-CG2 3.39Å; A514-T518 PolarHBondContact O-N 2.82Å; A514-T518 VanDerWaalsContact O-N 3.09Å; A514-T518 PolarHBondContact O-OG1 2.8Å; A514-L546 HydrophobicContact CB-CD1 4.29Å; A514-S549 WeakPolarHBondContact CB-OG 3.33Å; A514-I550 HydrophobicContact CB-CG1 3.92Å |
| 515 | F | 95.3 | Very high | 94.6 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 4% | 0.044 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -39.3 | 177.7 | -74.3 | 10.1 | 0 | 0 | 0 | 112.5 | V466 A467 C472 A476 T511 P512 L513 T518 S519 N553 R557 | V466-F515 VanDerWaalsContact C-CE1 3.41Å; V466-F515 VanDerWaalsContact C-CZ 3.5Å; V466-F515 WeakPolarHBondContact O-CZ 3.33Å; A467-F515 HydrophobicContact CB-CD1 3.95Å; A467-F515 HydrophobicContact CB-CD2 4.26Å; A467-F515 HydrophobicContact CB-CE1 3.98Å; A467-F515 HydrophobicContact CB-CE2 4.29Å; A467-F515 HydrophobicContact CB-CG 4.1Å; A467-F515 HydrophobicContact CB-CZ 4.15Å; A467-F515 VanDerWaalsContact N-CE1 3.33Å; C472-F515 HydrophobicContact CB-CE2 4.03Å; A476-F515 HydrophobicContact CB-CD2 3.72Å; A476-F515 HydrophobicContact CB-CE2 4.35Å; T511-F515 HydrophobicContact CG2-CD1 4.11Å; T511-F515 HydrophobicContact CG2-CE1 3.51Å; T511-F515 HydrophobicContact CG2-CE2 4.08Å; T511-F515 HydrophobicContact CG2-CZ 3.49Å; T511-F515 VanDerWaalsContact CG2-CZ 3.49Å; T511-F515 VanDerWaalsContact O-CD1 3.28Å; T511-F515 WeakPolarHBondContact O-CD1 3.48Å; T511-F515 WeakPolarHBondContact O-CG 3.41Å; T511-F515 PolarHBondContact O-N 3.19Å; P512-F515 PolarHBondContact O-N 3.45Å; L513-F515 PolarHBondContact O-N 3.22Å; F515-T518 PolarHBondContact O-OG1 3.16Å; F515-S519 PolarHBondContact O-N 3.31Å; F515-N553 VanDerWaalsContact CD1-OD1 3.3Å; F515-N553 WeakPolarHBondContact CD1-OD1 3.27Å; F515-N553 WeakPolarHBondContact CE1-OD1 3.5Å; F515-R557 PolarHBondContact O-NH2 3.26Å |
| 516 | A | 96.5 | Very high | 94.6 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 6% | 0.058 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -78 | -41.8 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | L480 P512 L513 A514 T518 S519 Q524 V525 | L480-A516 HydrophobicContact CD2-CB 3.33Å; P512-A516 PolarHBondContact O-N 3.48Å; L513-A516 PolarHBondContact O-N 2.72Å; A514-A516 VanDerWaalsContact C-N 3.32Å; A514-A516 PolarHBondContact O-N 2.93Å; A516-T518 PolarHBondContact O-N 2.78Å; A516-S519 VanDerWaalsContact O-CB 3.27Å; A516-S519 WeakPolarHBondContact O-CB 3.43Å; A516-S519 PolarHBondContact O-N 3.28Å; A516-S519 VanDerWaalsContact O-N 3.12Å; A516-Q524 HydrophobicContact CB-CB 4.45Å; A516-V525 WeakPolarHBondContact O-CG2 3.29Å |
| 517 | L | 96.8 | Very high | 94.5 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 20% | 0.199 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.3 | -16.7 | 178 | -68.2 | 166.3 | 0 | 0 | 0 | 113.5 | L513 L529 L532 I550 | L513-L517 HydrophobicContact CB-CD1 4.45Å; L513-L517 WeakPolarHBondContact O-CB 3.45Å; L513-L517 WeakPolarHBondContact O-CD1 3.27Å; L513-L517 VanDerWaalsContact O-CG 3.22Å; L513-L517 WeakPolarHBondContact O-CG 3.42Å; L513-L517 PolarHBondContact O-N 3.44Å; L517-L529 HydrophobicContact CD2-CB 4.02Å; L517-L529 HydrophobicContact CD2-CD1 4.47Å; L517-L532 HydrophobicContact CD1-CD2 3.73Å; L517-I550 HydrophobicContact CB-CD1 4.32Å; L517-I550 HydrophobicContact CD1-CD1 3.83Å |
| 518 | T | 95.2 | Very high | 94.8 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 8.4 | 172.1 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | A514 F515 A516 I550 N553 N554 R557 | A514-T518 WeakPolarHBondContact O-CB 3.34Å; A514-T518 WeakPolarHBondContact O-CG2 3.39Å; A514-T518 PolarHBondContact O-N 2.82Å; A514-T518 VanDerWaalsContact O-N 3.09Å; A514-T518 PolarHBondContact O-OG1 2.8Å; F515-T518 PolarHBondContact O-OG1 3.16Å; A516-T518 PolarHBondContact O-N 2.78Å; T518-I550 HydrophobicContact CG2-CB 4.46Å; T518-I550 HydrophobicContact CG2-CG2 4.02Å; T518-N553 HydrophobicContact CG2-CB 3.86Å; T518-N553 WeakPolarHBondContact OG1-CB 3.44Å; T518-N554 HydrophobicContact CG2-CB 4.49Å; T518-N554 WeakPolarHBondContact CG2-OD1 3.43Å; T518-R557 WeakPolarHBondContact O-CD 3.38Å; T518-R557 PolarHBondContact O-NE 3.03Å; T518-R557 VanDerWaalsContact O-NE 3.11Å; T518-R557 PolarHBondContact OG1-NE 3.15Å |
| 519 | S | 94.5 | Very high | 94.9 | Very high | 15 Ų | 15 | 41.1 Ų | 41.1 | 11% | 0.105 | 21% | 0.206 | C | C | . | . | trans | -76.5 | 147.7 | 177.2 | -163 | 0 | 0 | 0 | 0 | 111.5 | F515 A516 N521 Q524 V525 | F515-S519 PolarHBondContact O-N 3.31Å; A516-S519 VanDerWaalsContact O-CB 3.27Å; A516-S519 WeakPolarHBondContact O-CB 3.43Å; A516-S519 PolarHBondContact O-N 3.28Å; A516-S519 VanDerWaalsContact O-N 3.12Å; S519-N521 VanDerWaalsContact C-N 3.28Å; S519-N521 PolarHBondContact OG-N 3.09Å; S519-Q524 PolarHBondContact OG-OE1 3.32Å; S519-V525 WeakPolarHBondContact O-CG2 3.37Å | ||
| 520 | D | 92.3 | Very high | 95 | Very high | 153 Ų | 153 | 46 Ų | 46 | 82% | 0.818 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -76.1 | -19 | 166.4 | 61.3 | -44.6 | 0 | 0 | 0 | 112 | R522 | D520-R522 PolarHBondContact O-N 3.39Š|
| 521 | N | 92.8 | Very high | 95.1 | Very high | 77 Ų | 77 | 45.7 Ų | 45.7 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | trans | -76.3 | 111.8 | 177.6 | -174.4 | -26.6 | 0 | 0 | 0 | 111.9 | S519 E523 Q524 V525 | S519-N521 VanDerWaalsContact C-N 3.28Å; S519-N521 PolarHBondContact OG-N 3.09Å; N521-E523 VanDerWaalsContact C-N 3.26Å; N521-E523 PolarHBondContact O-N 2.93Å; N521-E523 VanDerWaalsContact O-N 3.16Å; N521-E523 PolarHBondContact OD1-N 3.49Å; N521-Q524 HydrophobicContact CB-CB 4.26Å; N521-Q524 HydrophobicContact CB-CG 4.22Å; N521-Q524 PolarHBondContact O-N 3Å; N521-V525 PolarHBondContact O-N 3.28Å | ||
| 522 | R | 94.4 | Very high | 95.3 | Very high | 159 Ų | 159 | 46.3 Ų | 46.3 | 60% | 0.6 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -49.8 | -39.8 | 178.4 | -173.1 | -178.9 | 56.3 | 58.9 | 5.5 | 113.8 | D520 Q526 | D520-R522 PolarHBondContact O-N 3.39Å; R522-Q526 WeakPolarHBondContact O-CB 3.5Å; R522-Q526 VanDerWaalsContact O-CG 3.25Å; R522-Q526 WeakPolarHBondContact O-CG 3.4Å; R522-Q526 PolarHBondContact O-N 3.13Å |
| 523 | E | 90.6 | Very high | 95.3 | Very high | 103 Ų | 103 | 51.8 Ų | 51.8 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -72.9 | -34.3 | -178.4 | -60.2 | -58.6 | 167.8 | 0 | 0 | 112.3 | N521 Q526 S527 | N521-E523 VanDerWaalsContact C-N 3.26Å; N521-E523 PolarHBondContact O-N 2.93Å; N521-E523 VanDerWaalsContact O-N 3.16Å; N521-E523 PolarHBondContact OD1-N 3.49Å; E523-Q526 PolarHBondContact O-N 3.01Å; E523-S527 WeakPolarHBondContact O-CB 3.45Å; E523-S527 PolarHBondContact O-N 2.88Å |
| 524 | Q | 92.4 | Very high | 95.2 | Very high | 48 Ų | 48 | 54.7 Ų | 54.7 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 173.7 | -71.1 | -174.2 | -35.7 | 0 | 0 | 111.1 | D477 A516 S519 N521 Q526 S527 G528 | D477-Q524 PolarHBondContact OD1-NE2 3.43Å; A516-Q524 HydrophobicContact CB-CB 4.45Å; S519-Q524 PolarHBondContact OG-OE1 3.32Å; N521-Q524 HydrophobicContact CB-CB 4.26Å; N521-Q524 HydrophobicContact CB-CG 4.22Å; N521-Q524 PolarHBondContact O-N 3Å; Q524-Q526 VanDerWaalsContact C-N 3.33Å; Q524-Q526 PolarHBondContact O-N 3.47Å; Q524-S527 PolarHBondContact O-N 3.33Å; Q524-G528 PolarHBondContact O-N 3.37Å |
| 525 | V | 96.6 | Very high | 95.2 | Very high | 45 Ų | 45 | 54.7 Ų | 54.7 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 175 | 177.7 | 0 | 0 | 0 | 0 | 111 | A516 S519 N521 L529 | A516-V525 WeakPolarHBondContact O-CG2 3.29Å; S519-V525 WeakPolarHBondContact O-CG2 3.37Å; N521-V525 PolarHBondContact O-N 3.28Å; V525-L529 WeakPolarHBondContact O-CB 3.28Å; V525-L529 PolarHBondContact O-N 3Å |
| 526 | Q | 94.8 | Very high | 95.3 | Very high | 90 Ų | 90 | 56.8 Ų | 56.8 | 42% | 0.421 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 177.3 | -73.4 | -68.8 | -20.2 | 0 | 0 | 112.8 | R522 E523 Q524 R530 | R522-Q526 WeakPolarHBondContact O-CB 3.5Å; R522-Q526 VanDerWaalsContact O-CG 3.25Å; R522-Q526 WeakPolarHBondContact O-CG 3.4Å; R522-Q526 PolarHBondContact O-N 3.13Å; E523-Q526 PolarHBondContact O-N 3.01Å; Q524-Q526 VanDerWaalsContact C-N 3.33Å; Q524-Q526 PolarHBondContact O-N 3.47Å; Q526-R530 VanDerWaalsContact O-CB 3.29Å; Q526-R530 WeakPolarHBondContact O-CB 3.45Å; Q526-R530 PolarHBondContact O-N 3.02Å |
| 527 | S | 94.1 | Very high | 95.3 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.9 | -50.6 | 174.9 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | E523 Q524 L529 R530 I531 | E523-S527 WeakPolarHBondContact O-CB 3.45Å; E523-S527 PolarHBondContact O-N 2.88Å; Q524-S527 PolarHBondContact O-N 3.33Å; S527-L529 PolarHBondContact O-N 3.37Å; S527-R530 PolarHBondContact O-N 3.04Å; S527-I531 PolarHBondContact O-N 3.19Å; S527-I531 VanDerWaalsContact O-N 3.09Å |
| 528 | G | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L513 Q524 I531 L532 | L513-G528 WeakPolarHBondContact CD2-O 3.37Å; Q524-G528 PolarHBondContact O-N 3.37Å; G528-I531 PolarHBondContact O-N 2.92Å; G528-L532 VanDerWaalsContact O-CB 3.32Å; G528-L532 WeakPolarHBondContact O-CB 3.5Å; G528-L532 PolarHBondContact O-N 3.48Å |
| 529 | L | 97.3 | Very high | 95 | Very high | 65 Ų | 65 | 64.7 Ų | 64.7 | 34% | 0.34 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.4 | -39.3 | 176.9 | -176.9 | 60.4 | 0 | 0 | 0 | 112.1 | L517 V525 S527 L532 L533 | L517-L529 HydrophobicContact CD2-CB 4.02Å; L517-L529 HydrophobicContact CD2-CD1 4.47Å; V525-L529 WeakPolarHBondContact O-CB 3.28Å; V525-L529 PolarHBondContact O-N 3Å; S527-L529 PolarHBondContact O-N 3.37Å; L529-L532 PolarHBondContact O-N 2.9Å; L529-L533 HydrophobicContact CD1-CD1 4.29Å; L529-L533 HydrophobicContact CD1-CG 4.22Å; L529-L533 HydrophobicContact CG-CD1 4.15Å; L529-L533 HydrophobicContact CG-CG 4.5Å; L529-L533 VanDerWaalsContact O-CG 3.32Å; L529-L533 WeakPolarHBondContact O-CG 3.41Å; L529-L533 PolarHBondContact O-N 2.93Å |
| 530 | R | 96.7 | Very high | 94.9 | Very high | 102 Ų | 102 | 71.7 Ų | 71.7 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.1 | -44.6 | 176.3 | -171.3 | -173.5 | -57.5 | 152.8 | 7.7 | 111.9 | D484 Q526 S527 E534 | D484-R530 VanDerWaalsContact OD1-CD 3.29Å; D484-R530 WeakPolarHBondContact OD1-CD 3.34Å; D484-R530 IonicContact OD1-CZ 3.9Å; D484-R530 IonicContact OD1-NE 3.41Å; D484-R530 IonicContact OD1-NH1 2.97Å; D484-R530 PolarHBondContact OD1-NH1 2.92Å; D484-R530 IonicContact OD2-NH1 3.95Å; D484-R530 PolarHBondContact OD2-NH1 3.13Å; Q526-R530 VanDerWaalsContact O-CB 3.29Å; Q526-R530 WeakPolarHBondContact O-CB 3.45Å; Q526-R530 PolarHBondContact O-N 3.02Å; S527-R530 PolarHBondContact O-N 3.04Å; R530-E534 PolarHBondContact O-N 3.17Å |
| 531 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.1 | -38.1 | 176.2 | -59 | -54.7 | 0 | 0 | 0 | 111.3 | L483 F500 L504 L509 L513 S527 G528 L533 E534 A535 | L483-I531 HydrophobicContact CB-CD1 3.93Å; L483-I531 HydrophobicContact CB-CG1 4.25Å; L483-I531 HydrophobicContact CD1-CG2 4.23Å; F500-I531 HydrophobicContact CE2-CD1 4.26Å; F500-I531 HydrophobicContact CZ-CD1 4.26Å; L504-I531 HydrophobicContact CD1-CG2 4.33Å; L504-I531 HydrophobicContact CG-CG2 4.41Å; L509-I531 HydrophobicContact CD2-CG2 4.39Å; L513-I531 HydrophobicContact CD2-CB 4.08Å; L513-I531 HydrophobicContact CD2-CG2 4.05Å; S527-I531 PolarHBondContact O-N 3.19Å; S527-I531 VanDerWaalsContact O-N 3.09Å; G528-I531 PolarHBondContact O-N 2.92Å; I531-L533 PolarHBondContact O-N 3.3Å; I531-E534 PolarHBondContact O-N 3.37Å; I531-A535 VanDerWaalsContact O-CB 3.26Å; I531-A535 WeakPolarHBondContact O-CB 3.48Å; I531-A535 PolarHBondContact O-N 2.79Å |
| 532 | L | 97.4 | Very high | 94.9 | Very high | 31 Ų | 31 | 64 Ų | 64 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 175.1 | 174.9 | 59.6 | 0 | 0 | 0 | 112.4 | L513 L517 G528 L529 E534 A535 A536 F541 L546 | L513-L532 HydrophobicContact CD2-CB 4.44Å; L517-L532 HydrophobicContact CD1-CD2 3.73Å; G528-L532 VanDerWaalsContact O-CB 3.32Å; G528-L532 WeakPolarHBondContact O-CB 3.5Å; G528-L532 PolarHBondContact O-N 3.48Å; L529-L532 PolarHBondContact O-N 2.9Å; L532-E534 VanDerWaalsContact C-N 3.3Å; L532-E534 PolarHBondContact O-N 3.31Å; L532-A535 PolarHBondContact O-N 2.79Å; L532-A535 VanDerWaalsContact O-N 3.1Å; L532-A536 WeakPolarHBondContact O-CB 3.29Å; L532-A536 PolarHBondContact O-N 2.69Å; L532-F541 HydrophobicContact CD1-CE1 3.85Å; L532-F541 HydrophobicContact CD1-CZ 3.63Å; L532-L546 HydrophobicContact CD1-CD2 3.43Å; L532-L546 VanDerWaalsContact CD1-CD2 3.43Å; L532-L546 HydrophobicContact CD2-CD2 4.19Å; L532-L546 HydrophobicContact CG-CD2 4.45Å |
| 533 | L | 96.6 | Very high | 94.9 | Very high | 115 Ų | 115 | 59.4 Ų | 59.4 | 60% | 0.602 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -66.9 | -31.6 | -179 | -70.8 | 171.5 | 0 | 0 | 0 | 112.7 | L529 I531 P537 | L529-L533 HydrophobicContact CD1-CD1 4.29Å; L529-L533 HydrophobicContact CD1-CG 4.22Å; L529-L533 HydrophobicContact CG-CD1 4.15Å; L529-L533 HydrophobicContact CG-CG 4.5Å; L529-L533 VanDerWaalsContact O-CG 3.32Å; L529-L533 WeakPolarHBondContact O-CG 3.41Å; L529-L533 PolarHBondContact O-N 2.93Å; I531-L533 PolarHBondContact O-N 3.3Å; L533-P537 VanDerWaalsContact O-CD 3.28Å; L533-P537 WeakPolarHBondContact O-CD 3.38Å |
| 534 | E | 96.1 | Very high | 95.1 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 29% | 0.29 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -77.3 | -24.2 | 171.4 | -66.5 | -82.5 | -120 | 0 | 0 | 112.6 | N487 K490 F500 L504 R530 I531 L532 L538 | N487-E534 PolarHBondContact OD1-OE1 3.48Å; K490-E534 IonicContact NZ-OE1 3.84Å; K490-E534 PolarHBondContact NZ-OE1 2.91Å; F500-E534 HydrophobicContact CE1-CB 4.29Å; F500-E534 HydrophobicContact CZ-CB 4.42Å; L504-E534 HydrophobicContact CD2-CB 3.85Å; R530-E534 PolarHBondContact O-N 3.17Å; I531-E534 PolarHBondContact O-N 3.37Å; L532-E534 VanDerWaalsContact C-N 3.3Å; L532-E534 PolarHBondContact O-N 3.31Å; E534-L538 WeakPolarHBondContact O-CD1 3.25Å |
| 535 | A | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -87.5 | -37.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | L504 I531 L532 L538 F541 | L504-A535 HydrophobicContact CB-CB 4.17Å; L504-A535 HydrophobicContact CD2-CB 4.04Å; L504-A535 HydrophobicContact CG-CB 3.96Å; I531-A535 VanDerWaalsContact O-CB 3.26Å; I531-A535 WeakPolarHBondContact O-CB 3.48Å; I531-A535 PolarHBondContact O-N 2.79Å; L532-A535 PolarHBondContact O-N 2.79Å; L532-A535 VanDerWaalsContact O-N 3.1Å; A535-L538 WeakPolarHBondContact O-CD1 3.44Å; A535-L538 PolarHBondContact O-N 2.82Å; A535-F541 HydrophobicContact CB-CD2 3.96Å; A535-F541 HydrophobicContact CB-CE2 3.57Å; A535-F541 HydrophobicContact CB-CZ 4.17Å |
| 536 | A | 95.6 | Very high | 95.1 | Very high | 54 Ų | 54 | 61 Ų | 61 | 45% | 0.446 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -32.3 | -177 | 0 | 0 | 0 | 0 | 0 | 116.8 | L532 L538 | L532-A536 WeakPolarHBondContact O-CB 3.29Å; L532-A536 PolarHBondContact O-N 2.69Å; A536-L538 VanDerWaalsContact C-N 3.33Å |
| 537 | P | 96.6 | Very high | 95.1 | Very high | 104 Ų | 104 | 58.6 Ų | 58.6 | 68% | 0.675 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -1.4 | 179.2 | 33 | -36.1 | 0 | 0 | 0 | 114.4 | L533 | L533-P537 VanDerWaalsContact O-CD 3.28Å; L533-P537 WeakPolarHBondContact O-CD 3.38Å |
| 538 | L | 95.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 63.3 Ų | 63.3 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -78.3 | 150.6 | 179 | -75.4 | 126.5 | 0 | 0 | 0 | 112.3 | Y501 L504 Q505 E534 A535 A536 | Y501-L538 HydrophobicContact CD1-CD1 4.22Å; Y501-L538 HydrophobicContact CD1-CD2 4.43Å; Y501-L538 HydrophobicContact CG-CD2 4.46Å; L504-L538 HydrophobicContact CB-CD1 4.01Å; L504-L538 HydrophobicContact CD2-CD1 4.31Å; Q505-L538 HydrophobicContact CG-CB 4.42Å; Q505-L538 HydrophobicContact CG-CD2 4.23Å; E534-L538 WeakPolarHBondContact O-CD1 3.25Å; A535-L538 WeakPolarHBondContact O-CD1 3.44Å; A535-L538 PolarHBondContact O-N 2.82Å; A536-L538 VanDerWaalsContact C-N 3.33Å |
| 539 | P | 91.9 | Very high | 95.1 | Very high | 85 Ų | 85 | 63.5 Ų | 63.5 | 55% | 0.552 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 147.6 | 172.1 | 27.5 | -35.5 | 0 | 0 | 0 | 110.9 | F541 | P539-F541 PolarHBondContact O-N 3.08Å; P539-F541 VanDerWaalsContact O-N 3.11Å |
| 540 | D | 90.7 | Very high | 95.1 | Very high | 163 Ų | 163 | 62.5 Ų | 62.5 | 87% | 0.872 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 15 | 175.6 | -50.8 | -45.8 | 0 | 0 | 0 | 116 | P542 | D540-P542 WeakPolarHBondContact O-CD 3.49Š|
| 541 | F | 94.3 | Very high | 95 | Very high | 29 Ų | 29 | 60.5 Ų | 60.5 | 13% | 0.127 | 36% | 0.363 | C | S | . | . | trans | -62.5 | 119.4 | 174.5 | -177 | -101.3 | 0 | 0 | 0 | 111.5 | I510 L513 L532 A535 P539 A543 L546 | I510-F541 HydrophobicContact CD1-CE2 3.91Å; I510-F541 HydrophobicContact CD1-CZ 4Å; L513-F541 HydrophobicContact CD1-CZ 4.44Å; L532-F541 HydrophobicContact CD1-CE1 3.85Å; L532-F541 HydrophobicContact CD1-CZ 3.63Å; A535-F541 HydrophobicContact CB-CD2 3.96Å; A535-F541 HydrophobicContact CB-CE2 3.57Å; A535-F541 HydrophobicContact CB-CZ 4.17Å; P539-F541 PolarHBondContact O-N 3.08Å; P539-F541 VanDerWaalsContact O-N 3.11Å; F541-A543 VanDerWaalsContact C-N 3.28Å; F541-A543 HydrophobicContact CD1-CB 4.13Å; F541-A543 HydrophobicContact CE1-CB 4.28Å; F541-A543 PolarHBondContact O-N 3.04Å; F541-L546 HydrophobicContact CE1-CD2 4.21Å; F541-L546 HydrophobicContact CZ-CD2 4.04Å | ||
| 542 | P | 92.8 | Very high | 94.8 | Very high | 40 Ų | 40 | 61.7 Ų | 61.7 | 26% | 0.26 | 37% | 0.373 | S | S | . | . | trans | -84.2 | 62.9 | -167.2 | 34.9 | -38 | 0 | 0 | 0 | 112.8 | I510 D540 L544 V545 L546 | I510-P542 HydrophobicContact CD1-CG 3.7Å; I510-P542 HydrophobicContact CG1-CG 3.78Å; D540-P542 WeakPolarHBondContact O-CD 3.49Å; P542-L544 PolarHBondContact O-N 3.17Å; P542-L544 VanDerWaalsContact O-N 3.1Å; P542-V545 HydrophobicContact CB-CB 4.36Å; P542-V545 HydrophobicContact CB-CG2 4.19Å; P542-V545 PolarHBondContact O-N 2.84Å; P542-L546 PolarHBondContact O-N 2.89Å | ||
| 543 | A | 94.1 | Very high | 94.6 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 50% | 0.504 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.8 | -29.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F541 L546 G547 | F541-A543 VanDerWaalsContact C-N 3.28Å; F541-A543 HydrophobicContact CD1-CB 4.13Å; F541-A543 HydrophobicContact CE1-CB 4.28Å; F541-A543 PolarHBondContact O-N 3.04Å; A543-L546 PolarHBondContact O-N 3.33Å; A543-G547 PolarHBondContact O-N 2.92Å |
| 544 | L | 93.5 | Very high | 94.5 | Very high | 147 Ų | 147 | 57.5 Ų | 57.5 | 77% | 0.77 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.7 | -45.9 | 175.3 | -66.2 | 175.5 | 0 | 0 | 0 | 111.9 | P542 L546 G547 E548 | P542-L544 PolarHBondContact O-N 3.17Å; P542-L544 VanDerWaalsContact O-N 3.1Å; L544-L546 VanDerWaalsContact C-N 3.28Å; L544-L546 PolarHBondContact O-N 3.01Å; L544-G547 WeakPolarHBondContact O-CA 3.39Å; L544-G547 PolarHBondContact O-N 3.39Å; L544-G547 VanDerWaalsContact O-N 3.08Å; L544-E548 PolarHBondContact O-N 2.93Å |
| 545 | V | 93.8 | Very high | 94.3 | Very high | 73 Ų | 73 | 56.6 Ų | 56.6 | 44% | 0.442 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.9 | -34.1 | 178.6 | -173.8 | 0 | 0 | 0 | 0 | 110.7 | I510 P542 S549 | I510-V545 HydrophobicContact CG2-CG1 4.27Å; P542-V545 HydrophobicContact CB-CB 4.36Å; P542-V545 HydrophobicContact CB-CG2 4.19Å; P542-V545 PolarHBondContact O-N 2.84Å; V545-S549 WeakPolarHBondContact O-CB 3.26Å; V545-S549 PolarHBondContact O-N 3.09Å |
| 546 | L | 95.8 | Very high | 94 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.052 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 170.6 | -177.5 | 63.8 | 0 | 0 | 0 | 111.9 | I510 L513 A514 L532 F541 P542 A543 L544 S549 I550 | I510-L546 HydrophobicContact CD1-CB 4.33Å; I510-L546 HydrophobicContact CG2-CB 3.9Å; I510-L546 HydrophobicContact CG2-CD1 3.95Å; L513-L546 HydrophobicContact CB-CD1 3.91Å; A514-L546 HydrophobicContact CB-CD1 4.29Å; L532-L546 HydrophobicContact CD1-CD2 3.43Å; L532-L546 VanDerWaalsContact CD1-CD2 3.43Å; L532-L546 HydrophobicContact CD2-CD2 4.19Å; L532-L546 HydrophobicContact CG-CD2 4.45Å; F541-L546 HydrophobicContact CE1-CD2 4.21Å; F541-L546 HydrophobicContact CZ-CD2 4.04Å; P542-L546 PolarHBondContact O-N 2.89Å; A543-L546 PolarHBondContact O-N 3.33Å; L544-L546 VanDerWaalsContact C-N 3.28Å; L544-L546 PolarHBondContact O-N 3.01Å; L546-S549 PolarHBondContact O-N 3.33Å; L546-I550 HydrophobicContact CD1-CD1 3.89Å; L546-I550 HydrophobicContact CD1-CG1 4.09Å; L546-I550 HydrophobicContact CD2-CD1 4.36Å; L546-I550 HydrophobicContact CG-CD1 3.74Å; L546-I550 HydrophobicContact CG-CG1 4.33Å; L546-I550 WeakPolarHBondContact O-CB 3.42Å; L546-I550 VanDerWaalsContact O-CG1 3.28Å; L546-I550 WeakPolarHBondContact O-CG1 3.33Å; L546-I550 PolarHBondContact O-N 2.77Å |
| 547 | G | 95.8 | Very high | 93.7 | Very high | 40 Ų | 40 | 59.7 Ų | 59.7 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A543 L544 A551 | A543-G547 PolarHBondContact O-N 2.92Å; L544-G547 WeakPolarHBondContact O-CA 3.39Å; L544-G547 PolarHBondContact O-N 3.39Å; L544-G547 VanDerWaalsContact O-N 3.08Å; G547-A551 WeakPolarHBondContact O-CB 3.11Å; G547-A551 PolarHBondContact O-N 3.34Å |
| 548 | E | 94.4 | Very high | 93.1 | Very high | 118 Ų | 118 | 60.4 Ų | 60.4 | 55% | 0.551 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.4 | -45.9 | 174.4 | -69.3 | 174.6 | -179.9 | 0 | 0 | 112 | T464 L544 A551 A552 | T464-E548 HydrophobicContact CG2-CB 4.37Å; L544-E548 PolarHBondContact O-N 2.93Å; E548-A551 PolarHBondContact O-N 2.84Å; E548-A552 WeakPolarHBondContact O-CB 3.37Å; E548-A552 PolarHBondContact O-N 2.65Å |
| 549 | S | 94.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 3% | 0.028 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 179.5 | -171.7 | 0 | 0 | 0 | 0 | 112.6 | A514 V545 L546 A552 N553 | A514-S549 WeakPolarHBondContact CB-OG 3.33Å; V545-S549 WeakPolarHBondContact O-CB 3.26Å; V545-S549 PolarHBondContact O-N 3.09Å; L546-S549 PolarHBondContact O-N 3.33Å; S549-A552 PolarHBondContact O-N 3.29Å; S549-N553 WeakPolarHBondContact O-CB 3.11Å; S549-N553 PolarHBondContact O-N 2.82Å; S549-N553 PolarHBondContact O-ND2 2.97Å |
| 550 | I | 96.6 | Very high | 91.7 | Very high | 44 Ų | 44 | 64.9 Ų | 64.9 | 23% | 0.226 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 173.4 | -72.7 | 171.3 | 0 | 0 | 0 | 110.6 | A514 L517 T518 L546 N553 N554 | A514-I550 HydrophobicContact CB-CG1 3.92Å; L517-I550 HydrophobicContact CB-CD1 4.32Å; L517-I550 HydrophobicContact CD1-CD1 3.83Å; T518-I550 HydrophobicContact CG2-CB 4.46Å; T518-I550 HydrophobicContact CG2-CG2 4.02Å; L546-I550 HydrophobicContact CD1-CD1 3.89Å; L546-I550 HydrophobicContact CD1-CG1 4.09Å; L546-I550 HydrophobicContact CD2-CD1 4.36Å; L546-I550 HydrophobicContact CG-CD1 3.74Å; L546-I550 HydrophobicContact CG-CG1 4.33Å; L546-I550 WeakPolarHBondContact O-CB 3.42Å; L546-I550 VanDerWaalsContact O-CG1 3.28Å; L546-I550 WeakPolarHBondContact O-CG1 3.33Å; L546-I550 PolarHBondContact O-N 2.77Å; I550-N553 PolarHBondContact O-N 3.15Å; I550-N554 WeakPolarHBondContact CG2-ND2 3.37Å; I550-N554 WeakPolarHBondContact O-CB 3.29Å; I550-N554 PolarHBondContact O-N 2.86Å; I550-N554 PolarHBondContact O-ND2 3.43Å |
| 551 | A | 94.9 | Very high | 90.5 | Very high | 59 Ų | 59 | 61.7 Ų | 61.7 | 49% | 0.488 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G547 E548 N554 A555 | G547-A551 WeakPolarHBondContact O-CB 3.11Å; G547-A551 PolarHBondContact O-N 3.34Å; E548-A551 PolarHBondContact O-N 2.84Å; A551-N554 PolarHBondContact O-N 3.29Å; A551-A555 WeakPolarHBondContact O-CB 3.3Å; A551-A555 PolarHBondContact O-N 3.34Å |
| 552 | A | 93.1 | Very high | 88.7 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 21% | 0.207 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V466 E548 S549 A555 Y556 | V466-A552 HydrophobicContact CG2-CB 4.23Å; E548-A552 WeakPolarHBondContact O-CB 3.37Å; E548-A552 PolarHBondContact O-N 2.65Å; S549-A552 PolarHBondContact O-N 3.29Å; A552-A555 PolarHBondContact O-N 3.47Å; A552-Y556 PolarHBondContact O-N 2.79Å; A552-Y556 VanDerWaalsContact O-N 3.1Å |
| 553 | N | 93.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 179.5 | -80.7 | -84 | 0 | 0 | 0 | 112.7 | K465 V466 A467 F515 T518 S549 I550 Y556 R557 | K465-N553 PolarHBondContact O-ND2 3.42Å; V466-N553 VanDerWaalsContact CA-OD1 3.32Å; V466-N553 WeakPolarHBondContact CA-OD1 3.5Å; A467-N553 PolarHBondContact N-OD1 2.98Å; F515-N553 VanDerWaalsContact CD1-OD1 3.3Å; F515-N553 WeakPolarHBondContact CD1-OD1 3.27Å; F515-N553 WeakPolarHBondContact CE1-OD1 3.5Å; T518-N553 HydrophobicContact CG2-CB 3.86Å; T518-N553 WeakPolarHBondContact OG1-CB 3.44Å; S549-N553 WeakPolarHBondContact O-CB 3.11Å; S549-N553 PolarHBondContact O-N 2.82Å; S549-N553 PolarHBondContact O-ND2 2.97Å; I550-N553 PolarHBondContact O-N 3.15Å; N553-Y556 PolarHBondContact O-N 2.94Å; N553-R557 WeakPolarHBondContact O-CG 3.29Å; N553-R557 PolarHBondContact O-N 3.41Å |
| 554 | N | 94.2 | Very high | 83.8 | Confident | 58 Ų | 58 | 76.3 Ų | 76.3 | 31% | 0.31 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 172.2 | -81.9 | -47.8 | 0 | 0 | 0 | 111.7 | T518 I550 A551 Y556 R557 Q558 | T518-N554 HydrophobicContact CG2-CB 4.49Å; T518-N554 WeakPolarHBondContact CG2-OD1 3.43Å; I550-N554 WeakPolarHBondContact CG2-ND2 3.37Å; I550-N554 WeakPolarHBondContact O-CB 3.29Å; I550-N554 PolarHBondContact O-N 2.86Å; I550-N554 PolarHBondContact O-ND2 3.43Å; A551-N554 PolarHBondContact O-N 3.29Å; N554-Y556 VanDerWaalsContact C-N 3.33Å; N554-Y556 PolarHBondContact O-N 3.41Å; N554-R557 PolarHBondContact O-N 2.97Å; N554-Q558 WeakPolarHBondContact O-CB 3.49Å; N554-Q558 WeakPolarHBondContact O-CG 3.26Å; N554-Q558 PolarHBondContact O-N 2.94Å |
| 555 | A | 92.4 | Very high | 81.1 | Confident | 43 Ų | 43 | 74 Ų | 74 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.4 | -41.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A551 A552 Q559 | A551-A555 WeakPolarHBondContact O-CB 3.3Å; A551-A555 PolarHBondContact O-N 3.34Å; A552-A555 PolarHBondContact O-N 3.47Å; A555-Q559 WeakPolarHBondContact O-CG 3.3Å; A555-Q559 PolarHBondContact O-N 3.19Å |
| 556 | Y | 90.6 | Very high | 78.2 | Confident | 75 Ų | 75 | 82.2 Ų | 82.2 | 29% | 0.294 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.1 | -52.1 | 176 | 176.8 | -94.1 | 0 | 0 | 0 | 112.7 | V466 A552 N553 N554 Q558 Q559 E560 | V466-Y556 VanDerWaalsContact CG1-CB 3.42Å; V466-Y556 HydrophobicContact CG1-CD1 3.59Å; V466-Y556 HydrophobicContact CG1-CD2 3.57Å; V466-Y556 HydrophobicContact CG1-CE1 4.24Å; V466-Y556 HydrophobicContact CG1-CE2 4.19Å; V466-Y556 HydrophobicContact CG1-CG 3.22Å; A552-Y556 PolarHBondContact O-N 2.79Å; A552-Y556 VanDerWaalsContact O-N 3.1Å; N553-Y556 PolarHBondContact O-N 2.94Å; N554-Y556 VanDerWaalsContact C-N 3.33Å; N554-Y556 PolarHBondContact O-N 3.41Å; Y556-Q558 VanDerWaalsContact C-N 3.25Å; Y556-Q558 PolarHBondContact O-N 2.75Å; Y556-Q559 PolarHBondContact O-N 3.37Å; Y556-Q559 VanDerWaalsContact O-N 3.12Å; Y556-E560 PolarHBondContact O-N 2.83Å |
| 557 | R | 88.5 | Confident | 75.2 | Confident | 45 Ų | 45 | 90.5 Ų | 90.5 | 17% | 0.17 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -62.4 | -33.2 | -178.7 | -70.5 | 175.6 | 176.7 | -91 | 21.3 | 112.3 | F515 T518 N553 N554 T561 | F515-R557 PolarHBondContact O-NH2 3.26Å; T518-R557 WeakPolarHBondContact O-CD 3.38Å; T518-R557 PolarHBondContact O-NE 3.03Å; T518-R557 VanDerWaalsContact O-NE 3.11Å; T518-R557 PolarHBondContact OG1-NE 3.15Å; N553-R557 WeakPolarHBondContact O-CG 3.29Å; N553-R557 PolarHBondContact O-N 3.41Å; N554-R557 PolarHBondContact O-N 2.97Å; R557-T561 PolarHBondContact O-N 2.96Å; R557-T561 PolarHBondContact O-OG1 2.95Å |
| 558 | Q | 84.9 | Confident | 71.9 | Confident | 119 Ų | 119 | 95.9 Ų | 95.9 | 56% | 0.556 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.1 | -45.5 | 173.9 | -72.5 | 167 | 11.9 | 0 | 0 | 111.5 | N554 Y556 E560 T561 E562 | N554-Q558 WeakPolarHBondContact O-CB 3.49Å; N554-Q558 WeakPolarHBondContact O-CG 3.26Å; N554-Q558 PolarHBondContact O-N 2.94Å; Y556-Q558 VanDerWaalsContact C-N 3.25Å; Y556-Q558 PolarHBondContact O-N 2.75Å; Q558-E560 PolarHBondContact O-N 3.29Å; Q558-T561 WeakPolarHBondContact O-CB 3.49Å; Q558-T561 PolarHBondContact O-N 3.45Å; Q558-E562 PolarHBondContact O-N 3.1Å |
| 559 | Q | 83.6 | Confident | 68.8 | Low | 116 Ų | 116 | 95.1 Ų | 95.1 | 54% | 0.542 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 175.1 | -71 | 171.6 | 12.4 | 0 | 0 | 112.6 | A555 Y556 T561 E562 H563 | A555-Q559 WeakPolarHBondContact O-CG 3.3Å; A555-Q559 PolarHBondContact O-N 3.19Å; Y556-Q559 PolarHBondContact O-N 3.37Å; Y556-Q559 VanDerWaalsContact O-N 3.12Å; Q559-T561 VanDerWaalsContact C-N 3.29Å; Q559-T561 PolarHBondContact O-N 3.43Å; Q559-E562 PolarHBondContact O-N 3.22Å; Q559-H563 WeakPolarHBondContact O-CB 3.42Å; Q559-H563 PolarHBondContact O-CD2 3.44Å; Q559-H563 VanDerWaalsContact O-CD2 3.31Å; Q559-H563 PolarHBondContact O-N 3.2Å |
| 560 | E | 72.8 | Confident | 65.5 | Low | 93 Ų | 93 | 107.1 Ų | 107.1 | 44% | 0.435 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 174.3 | -174.6 | 171.6 | -146.1 | 0 | 0 | 111.5 | Y556 Q558 H563 I564 | Y556-E560 PolarHBondContact O-N 2.83Å; Q558-E560 PolarHBondContact O-N 3.29Å; E560-H563 PolarHBondContact O-N 3.06Å; E560-I564 PolarHBondContact O-N 3.49Å |
| 561 | T | 66.3 | Low | 62.2 | Low | 96 Ų | 96 | 113.7 Ų | 113.7 | 59% | 0.589 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.9 | -38.8 | 177.3 | -52.8 | 0 | 0 | 0 | 0 | 112.4 | R557 Q558 Q559 | R557-T561 PolarHBondContact O-N 2.96Å; R557-T561 PolarHBondContact O-OG1 2.95Å; Q558-T561 WeakPolarHBondContact O-CB 3.49Å; Q558-T561 PolarHBondContact O-N 3.45Å; Q559-T561 VanDerWaalsContact C-N 3.29Å; Q559-T561 PolarHBondContact O-N 3.43Å |
| 562 | E | 57.4 | Low | 59.1 | Low | 165 Ų | 165 | 116.8 Ų | 116.8 | 77% | 0.771 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.4 | -28.7 | 175.5 | -70.5 | -173 | 162.7 | 0 | 0 | 113.1 | Q558 Q559 | Q558-E562 PolarHBondContact O-N 3.1Å; Q559-E562 PolarHBondContact O-N 3.22Å |
| 563 | H | 47.1 | Very low | 55.8 | Low | 152 Ų | 152 | 120.7 Ų | 120.7 | 70% | 0.704 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -1.1 | -179.2 | -86.8 | -63.7 | 0 | 0 | 0 | 115.3 | Q559 E560 P565 | Q559-H563 WeakPolarHBondContact O-CB 3.42Å; Q559-H563 PolarHBondContact O-CD2 3.44Å; Q559-H563 VanDerWaalsContact O-CD2 3.31Å; Q559-H563 PolarHBondContact O-N 3.2Å; E560-H563 PolarHBondContact O-N 3.06Å; H563-P565 WeakPolarHBondContact O-CD 3.5Å; H563-P565 VanDerWaalsContact O-N 3.13Å |
| 564 | I | 36.7 | Very low | 52.7 | Low | 120 Ų | 120 | 128 Ų | 128 | 62% | 0.615 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -56.1 | 118.5 | 164.3 | -60.3 | 175.7 | 0 | 0 | 0 | 107.7 | E560 R566 | E560-I564 PolarHBondContact O-N 3.49Å; I564-R566 PolarHBondContact O-N 3.41Å |
| 565 | P | 36.7 | Very low | 49.6 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 64% | 0.636 | 66% | 0.658 | S | S | * | * | trans | -72.6 | 93.9 | -159.8 | 26.4 | -35.4 | 0 | 0 | 0 | 112.6 | H563 K567 | H563-P565 WeakPolarHBondContact O-CD 3.5Å; H563-P565 VanDerWaalsContact O-N 3.13Å; P565-K567 HydrophobicContact CB-CG 4.33Å; P565-K567 PolarHBondContact O-N 2.88Å | ||
| 566 | R | 32.8 | Very low | 46.5 | Very low | 246 Ų | 246 | 138.7 Ų | 138.7 | 93% | 0.928 | 68% | 0.683 | S | S | * | * | trans | -59.8 | 81.8 | 151.2 | -83.1 | -177.2 | 164.7 | 175.3 | -3.2 | 108.2 | I564 M568 | I564-R566 PolarHBondContact O-N 3.41Å; R566-M568 PolarHBondContact O-N 3Å | ||
| 567 | K | 32.7 | Very low | 43.4 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | trans | -58.8 | 103.9 | 178.4 | -71.5 | -173.1 | 178.1 | -178 | 0 | 108.9 | P565 | P565-K567 HydrophobicContact CB-CG 4.33Å; P565-K567 PolarHBondContact O-N 2.88Å | ||
| 568 | M | 25 | Very low | 40.9 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | -55.6 | 136.2 | 178.5 | -163.5 | 67.5 | 169.4 | 0 | 0 | 109.8 | R566 W570 | R566-M568 PolarHBondContact O-N 3Å; M568-W570 PolarHBondContact O-N 3.42Å | ||
| 569 | P | 30 | Very low | 38.2 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | trans | -59.7 | 122.4 | 170.6 | -21.8 | 33.3 | 0 | 0 | 0 | 109.5 | Q571 | P569-Q571 VanDerWaalsContact C-N 3.31Å; P569-Q571 PolarHBondContact O-N 3.1Å | ||
| 570 | W | 25 | Very low | 35.7 | Very low | 255 Ų | 255 | 149.4 Ų | 149.4 | 97% | 0.966 | 77% | 0.769 | S | S | * | * | trans | -73.5 | 84.9 | 178.7 | -77.1 | 59.4 | 0 | 0 | 0 | 109.9 | M568 | M568-W570 PolarHBondContact O-N 3.42Š| ||
| 571 | Q | 27.5 | Very low | 33.7 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -86.3 | 130.5 | 162 | -75.7 | -167.1 | -20.6 | 0 | 0 | 110 | P569 S573 | P569-Q571 VanDerWaalsContact C-N 3.31Å; P569-Q571 PolarHBondContact O-N 3.1Å; Q571-S573 PolarHBondContact O-N 3.36Å | ||
| 572 | S | 29.6 | Very low | 32.1 | Very low | 124 Ų | 124 | 155.1 Ų | 155.1 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -65.3 | 120.7 | -175.9 | 42.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 573 | S | 24.9 | Very low | 30.5 | Very low | 107 Ų | 107 | 152.8 Ų | 152.8 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -123.8 | 93.1 | 165.1 | -168.6 | 0 | 0 | 0 | 0 | 109.8 | Q571 H575 | Q571-S573 PolarHBondContact O-N 3.36Å; S573-H575 PolarHBondContact O-N 2.98Å | ||
| 574 | N | 27.7 | Very low | 29.6 | Very low | 153 Ų | 153 | 153.6 Ų | 153.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -69.3 | 110.5 | 161.3 | -82.8 | -24.3 | 0 | 0 | 0 | 108 | ||||
| 575 | H | 29.1 | Very low | 29.4 | Very low | 162 Ų | 162 | 154 Ų | 154 | 75% | 0.75 | 81% | 0.812 | S | S | * | * | trans | -157.6 | 122.7 | 146.3 | -96.1 | -59 | 0 | 0 | 0 | 111.6 | S573 F577 | S573-H575 PolarHBondContact O-N 2.98Å; H575-F577 PolarHBondContact O-N 3.46Å | ||
| 576 | N | 27.7 | Very low | 29.8 | Very low | 165 Ų | 165 | 155 Ų | 155 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | -68.8 | 126.8 | 174.3 | -64.7 | -26.2 | 0 | 0 | 0 | 110.5 | ||||
| 577 | F | 25.7 | Very low | 30 | Very low | 195 Ų | 195 | 149.2 Ų | 149.2 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -109.2 | 123.2 | 162.6 | -84.2 | -85.2 | 0 | 0 | 0 | 109.8 | H575 | H575-F577 PolarHBondContact O-N 3.46Š| ||
| 578 | P | 34.7 | Very low | 29.9 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -74.8 | 153.2 | 173 | 31.2 | -33.6 | 0 | 0 | 0 | 111.7 | ||||
| 579 | T | 29.3 | Very low | 30.3 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | trans | -65.7 | 146.7 | -177.8 | 29.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 580 | S | 30.1 | Very low | 30.4 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | trans | -113 | 106.6 | 172.9 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 581 | V | 32.1 | Very low | 30.6 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -143.2 | 97.9 | 169.4 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 582 | K | 32.2 | Very low | 30.6 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 81% | 0.809 | 79% | 0.791 | S | S | * | * | trans | 58.8 | 139.8 | 142.6 | -60.4 | 179.5 | 179.6 | 177.3 | 0 | 122.5 | ||||
| 583 | C | 23.9 | Very low | 31.2 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | 68.9 | 124.1 | 148.8 | -69.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 584 | L | 28.6 | Very low | 32.1 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | -159.4 | 161.9 | 91.9 | -99.6 | 168.3 | 0 | 0 | 0 | 111.9 | |||||
| 585 | T | 31.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 137 Ų | 137 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -95.6 | 164.5 | 179.2 | 27.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 586 | P | 45.9 | Very low | 33.1 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -97.6 | 166.2 | -161.7 | 38.2 | -37.5 | 0 | 0 | 0 | 115.1 | ||||
| 587 | P | 36.7 | Very low | 33.7 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -109.7 | 127.6 | 159.8 | 35.4 | -25.9 | 0 | 0 | 0 | 114 | ||||
| 588 | H | 30.3 | Very low | 34.9 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -56.1 | 168.3 | 150.6 | -103.8 | -45.5 | 0 | 0 | 0 | 111.6 | ||||
| 589 | L | 33.6 | Very low | 35.6 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 67% | 0.665 | 77% | 0.77 | S | S | * | * | cis | -165.7 | 157.6 | 21.2 | -107.4 | 145.9 | 0 | 0 | 0 | 110 | ||||
| 590 | K | 32.8 | Very low | 36.6 | Very low | 165 Ų | 165 | 131.9 Ų | 131.9 | 72% | 0.717 | 75% | 0.752 | S | S | * | * | trans | 66.4 | 159.7 | 145.7 | -70.4 | -179.3 | 157.6 | -145.1 | 0 | 120.5 | ||||
| 591 | D | 28.7 | Very low | 37.6 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | cis | -154.8 | 166.2 | -17.8 | -100.2 | -27.1 | 0 | 0 | 0 | 105.1 | ||||
| 592 | G | 28.3 | Very low | 38.9 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | cis | -170.5 | -149.1 | 7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 593 | V | 40.7 | Very low | 39.8 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | trans | -140.7 | 126.8 | -176.9 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 594 | P | 44.4 | Very low | 41.1 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 83% | 0.831 | 72% | 0.716 | S | S | * | * | -143.4 | -179.8 | 104.5 | 33.5 | -14.6 | 0 | 0 | 0 | 112.6 | |||||
| 595 | G | 35.3 | Very low | 42.4 | Very low | 65 Ų | 65 | 128.7 Ų | 128.7 | 67% | 0.67 | 71% | 0.71 | S | S | * | * | cis | 134.1 | 112.8 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 596 | L | 41.8 | Very low | 42.9 | Very low | 168 Ų | 168 | 130.2 Ų | 130.2 | 88% | 0.88 | 71% | 0.708 | S | S | * | * | trans | 62.2 | 126.6 | 169.8 | -62.7 | 169.6 | 0 | 0 | 0 | 119.7 | ||||
| 597 | N | 41.9 | Very low | 43 | Very low | 113 Ų | 113 | 129 Ų | 129 | 60% | 0.604 | 70% | 0.703 | S | S | * | * | 177.2 | 96.9 | 126.5 | -100.9 | 17.5 | 0 | 0 | 0 | 110 | E600 | N597-E600 PolarHBondContact ND2-OE2 3.09Š| |||
| 598 | I | 50.8 | Low | 43 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 71% | 0.708 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -105 | -21.5 | 172.6 | -74.4 | 175.1 | 0 | 0 | 0 | 111.6 | I602 | I598-I602 HydrophobicContact CG2-CD1 4.49Š|
| 599 | E | 48.7 | Very low | 43.3 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -74.2 | -30.6 | -174.1 | -67.3 | 159.4 | 143.8 | 0 | 0 | 112.5 | L601 I602 E603 | E599-L601 PolarHBondContact O-N 3.03Å; E599-L601 VanDerWaalsContact O-N 3.14Å; E599-I602 PolarHBondContact O-N 3.44Å; E599-I602 VanDerWaalsContact O-N 3.11Å; E599-E603 PolarHBondContact O-N 2.94Å |
| 600 | E | 50.9 | Low | 43.6 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 50% | 0.495 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -68.7 | -11.2 | -179.4 | -147.9 | -163.5 | 136.8 | 0 | 0 | 114.7 | N597 K604 | N597-E600 PolarHBondContact ND2-OE2 3.09Å; E600-K604 PolarHBondContact O-NZ 2.82Å; E600-K604 IonicContact OE1-NZ 2.74Å; E600-K604 PolarHBondContact OE1-NZ 3.29Å; E600-K604 VanDerWaalsContact OE1-NZ 3.09Å |
| 601 | L | 51.2 | Low | 44.1 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 69% | 0.686 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -93.6 | -27.5 | 174.6 | -164.7 | 70.7 | 0 | 0 | 0 | 112.2 | E599 | E599-L601 PolarHBondContact O-N 3.03Å; E599-L601 VanDerWaalsContact O-N 3.14Å |
| 602 | I | 57.9 | Low | 44.3 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 43% | 0.431 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -75.2 | -40.7 | -177.1 | -63.3 | 173.8 | 0 | 0 | 0 | 110.3 | I598 E599 K604 L605 Q606 | I598-I602 HydrophobicContact CG2-CD1 4.49Å; E599-I602 PolarHBondContact O-N 3.44Å; E599-I602 VanDerWaalsContact O-N 3.11Å; I602-K604 VanDerWaalsContact C-N 3.3Å; I602-K604 PolarHBondContact O-N 3.01Å; I602-L605 PolarHBondContact O-N 3.39Å; I602-L605 VanDerWaalsContact O-N 3.12Å; I602-Q606 PolarHBondContact O-N 3.03Å |
| 603 | E | 51 | Low | 44.7 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -61.8 | -36.9 | -179.5 | -160.9 | 172 | -141.3 | 0 | 0 | 112.4 | E599 L605 Q606 | E599-E603 PolarHBondContact O-N 2.94Å; E603-L605 VanDerWaalsContact C-N 3.31Å; E603-L605 PolarHBondContact O-N 3.48Å; E603-Q606 PolarHBondContact O-N 3.04Å |
| 604 | K | 53.1 | Low | 44.6 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 60% | 0.6 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -74.9 | -13.3 | 177.8 | -69.9 | 169.5 | -173.6 | 134.5 | 0 | 114.3 | E600 I602 | E600-K604 PolarHBondContact O-NZ 2.82Å; E600-K604 IonicContact OE1-NZ 2.74Å; E600-K604 PolarHBondContact OE1-NZ 3.29Å; E600-K604 VanDerWaalsContact OE1-NZ 3.09Å; I602-K604 VanDerWaalsContact C-N 3.3Å; I602-K604 PolarHBondContact O-N 3.01Å |
| 605 | L | 54.9 | Low | 44.2 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 76% | 0.764 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -94.3 | -15.4 | 175.6 | -93.1 | 163.9 | 0 | 0 | 0 | 113.4 | I602 E603 | I602-L605 PolarHBondContact O-N 3.39Å; I602-L605 VanDerWaalsContact O-N 3.12Å; E603-L605 VanDerWaalsContact C-N 3.31Å; E603-L605 PolarHBondContact O-N 3.48Å |
| 606 | Q | 43 | Very low | 44.7 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -95.5 | -14.7 | -179.5 | -66.1 | -177.5 | -2.1 | 0 | 0 | 113.2 | I602 E603 G608 | I602-Q606 PolarHBondContact O-N 3.03Å; E603-Q606 PolarHBondContact O-N 3.04Å; Q606-G608 PolarHBondContact O-N 3.12Å |
| 607 | S | 46 | Very low | 44.7 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 66% | 0.657 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -85.3 | 99.1 | 179.1 | 61.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 608 | G | 37.9 | Very low | 45.4 | Very low | 64 Ų | 64 | 132.9 Ų | 132.9 | 66% | 0.66 | 70% | 0.704 | S | S | * | * | trans | 107.4 | 22.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | Q606 V610 | Q606-G608 PolarHBondContact O-N 3.12Å; G608-V610 VanDerWaalsContact C-N 3.31Å; G608-V610 PolarHBondContact O-N 3.14Å | ||
| 609 | M | 36.9 | Very low | 45.9 | Very low | 187 Ų | 187 | 134.6 Ų | 134.6 | 92% | 0.921 | 70% | 0.701 | S | S | * | * | trans | -72.4 | 85.3 | 164.5 | -168.7 | -173.4 | 81.7 | 0 | 0 | 110.5 | ||||
| 610 | V | 39.2 | Very low | 46.3 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -127.3 | 116.4 | 175 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | G608 | G608-V610 VanDerWaalsContact C-N 3.31Å; G608-V610 PolarHBondContact O-N 3.14Å | ||
| 611 | V | 44.3 | Very low | 47 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 66% | 0.655 | 69% | 0.689 | S | S | * | * | trans | -73 | 143.1 | 179.4 | 171.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 612 | K | 33.1 | Very low | 47.9 | Very low | 203 Ų | 203 | 128.8 Ų | 128.8 | 88% | 0.883 | 68% | 0.683 | S | S | * | * | trans | -155.6 | 136.1 | 133.6 | -118 | 166.7 | -173.1 | 174.4 | 0 | 113.8 | ||||
| 613 | D | 35.5 | Very low | 48.6 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | trans | -69.7 | 148.8 | -177.8 | -42 | -96.5 | 0 | 0 | 0 | 112.2 | ||||
| 614 | Q | 38.4 | Very low | 49.8 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 84% | 0.841 | 68% | 0.68 | S | S | * | * | -166.4 | 144 | 121.3 | -109 | 162.3 | 20 | 0 | 0 | 114.4 | |||||
| 615 | I | 37.1 | Very low | 51 | Low | 163 Ų | 163 | 125.6 Ų | 125.6 | 84% | 0.836 | 68% | 0.675 | S | S | * | * | trans | 79.7 | 138.8 | 163.6 | -58.1 | 156.5 | 0 | 0 | 0 | 116 | ||||
| 616 | C | 45.4 | Very low | 52.2 | Low | 120 Ų | 120 | 122 Ų | 122 | 81% | 0.811 | 66% | 0.659 | S | S | * | * | trans | -82.3 | 154.9 | -166.7 | -43.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 617 | D | 40.8 | Very low | 54.1 | Low | 83 Ų | 83 | 121.4 Ų | 121.4 | 44% | 0.444 | 65% | 0.651 | S | S | . | * | -157.8 | 155.2 | 120.5 | -149.3 | -0.1 | 0 | 0 | 0 | 112.9 | R619 | D617-R619 PolarHBondContact O-N 3.19Å; D617-R619 VanDerWaalsContact O-N 3.16Å; D617-R619 IonicContact OD2-CZ 3.35Å; D617-R619 IonicContact OD2-NE 3.06Å; D617-R619 PolarHBondContact OD2-NE 3.29Å; D617-R619 IonicContact OD2-NH2 3.65Å; D617-R619 PolarHBondContact OD2-NH2 2.67Å | |||
| 618 | V | 57 | Low | 55.9 | Low | 114 Ų | 114 | 123.4 Ų | 123.4 | 69% | 0.691 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -61.4 | -27.4 | -172.7 | 177.1 | 0 | 0 | 0 | 0 | 113.3 | I620 S621 | V618-I620 PolarHBondContact O-N 3.17Å; V618-S621 PolarHBondContact O-N 3.44Å; V618-S621 VanDerWaalsContact O-N 3.16Å |
| 619 | R | 60.6 | Low | 58.1 | Low | 175 Ų | 175 | 126.2 Ų | 126.2 | 66% | 0.66 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -62.2 | -8.1 | -172.7 | -67.2 | 176.1 | -82.5 | 163.3 | -5.4 | 115.9 | D617 I623 | D617-R619 PolarHBondContact O-N 3.19Å; D617-R619 VanDerWaalsContact O-N 3.16Å; D617-R619 IonicContact OD2-CZ 3.35Å; D617-R619 IonicContact OD2-NE 3.06Å; D617-R619 PolarHBondContact OD2-NE 3.29Å; D617-R619 IonicContact OD2-NH2 3.65Å; D617-R619 PolarHBondContact OD2-NH2 2.67Å; R619-I623 WeakPolarHBondContact O-CD1 3.48Å |
| 620 | I | 59 | Low | 60.4 | Low | 108 Ų | 108 | 122.8 Ų | 122.8 | 55% | 0.554 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -85.5 | -26.5 | 178.9 | -59 | 176.7 | 0 | 0 | 0 | 111.3 | V618 I623 M624 | V618-I620 PolarHBondContact O-N 3.17Å; I620-I623 PolarHBondContact O-N 3.35Å; I620-M624 HydrophobicContact CG2-CE 4.23Å; I620-M624 PolarHBondContact O-N 3.37Å; I620-M624 VanDerWaalsContact O-N 3.12Å |
| 621 | S | 65 | Low | 62.5 | Low | 59 Ų | 59 | 122 Ų | 122 | 41% | 0.413 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.9 | -52.7 | -179.6 | -154.8 | 0 | 0 | 0 | 0 | 111.6 | V618 I623 M624 D625 | V618-S621 PolarHBondContact O-N 3.44Å; V618-S621 VanDerWaalsContact O-N 3.16Å; S621-I623 PolarHBondContact O-N 3.19Å; S621-M624 WeakPolarHBondContact O-CA 3.35Å; S621-M624 PolarHBondContact O-N 2.96Å; S621-D625 PolarHBondContact O-N 3.02Å |
| 622 | D | 69.3 | Low | 64.4 | Low | 102 Ų | 102 | 120.6 Ų | 120.6 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -55.7 | -30.5 | -179.9 | -48.7 | -40.2 | 0 | 0 | 0 | 112.6 | V626 | D622-V626 WeakPolarHBondContact O-CG2 3.25Å; D622-V626 PolarHBondContact O-N 2.94Å |
| 623 | I | 74 | Confident | 66.9 | Low | 98 Ų | 98 | 114 Ų | 114 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -75.6 | -44.1 | 177.1 | -64 | 176 | 0 | 0 | 0 | 110.4 | R619 I620 S621 V626 Y627 | R619-I623 WeakPolarHBondContact O-CD1 3.48Å; I620-I623 PolarHBondContact O-N 3.35Å; S621-I623 PolarHBondContact O-N 3.19Å; I623-V626 PolarHBondContact O-N 3.32Å; I623-Y627 HydrophobicContact CG2-CD2 3.84Å; I623-Y627 HydrophobicContact CG2-CE2 3.83Å; I623-Y627 VanDerWaalsContact O-CD2 3.27Å; I623-Y627 WeakPolarHBondContact O-CD2 3.34Å; I623-Y627 PolarHBondContact O-N 3.35Å; I623-Y627 VanDerWaalsContact O-N 3.1Å |
| 624 | M | 74.9 | Confident | 69.3 | Low | 116 Ų | 116 | 112.6 Ų | 112.6 | 57% | 0.571 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.5 | -45.5 | 174.6 | -75.9 | -166.2 | -69.3 | 0 | 0 | 111.6 | I620 S621 V626 Y627 E628 | I620-M624 HydrophobicContact CG2-CE 4.23Å; I620-M624 PolarHBondContact O-N 3.37Å; I620-M624 VanDerWaalsContact O-N 3.12Å; S621-M624 WeakPolarHBondContact O-CA 3.35Å; S621-M624 PolarHBondContact O-N 2.96Å; M624-V626 VanDerWaalsContact C-N 3.28Å; M624-V626 PolarHBondContact O-N 3.01Å; M624-Y627 CarbonylContact O-C 3.59Å; M624-Y627 WeakPolarHBondContact O-CA 3.42Å; M624-Y627 PolarHBondContact O-N 3.41Å; M624-E628 WeakPolarHBondContact O-CB 3.39Å; M624-E628 PolarHBondContact O-N 3.22Å |
| 625 | D | 78.6 | Confident | 71.6 | Confident | 90 Ų | 90 | 106.6 Ų | 106.6 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.5 | -40.1 | 179.1 | -61.4 | -10.3 | 0 | 0 | 0 | 112 | S621 E628 M629 | S621-D625 PolarHBondContact O-N 3.02Å; D625-E628 PolarHBondContact O-N 2.88Å; D625-M629 WeakPolarHBondContact O-CB 2.96Å; D625-M629 PolarHBondContact O-N 3.1Å |
| 626 | V | 80.1 | Confident | 74 | Confident | 71 Ų | 71 | 102.2 Ų | 102.2 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.5 | -34.9 | 176.2 | 169.2 | 0 | 0 | 0 | 0 | 112.4 | D622 I623 M624 K630 | D622-V626 WeakPolarHBondContact O-CG2 3.25Å; D622-V626 PolarHBondContact O-N 2.94Å; I623-V626 PolarHBondContact O-N 3.32Å; M624-V626 VanDerWaalsContact C-N 3.28Å; M624-V626 PolarHBondContact O-N 3.01Å; V626-K630 WeakPolarHBondContact O-CB 3.48Å; V626-K630 WeakPolarHBondContact O-CG 3.26Å; V626-K630 PolarHBondContact O-N 3.35Å; V626-K630 VanDerWaalsContact O-N 3.15Å |
| 627 | Y | 82.2 | Confident | 76.1 | Confident | 147 Ų | 147 | 102.5 Ų | 102.5 | 58% | 0.576 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -74 | -37.7 | 173.6 | -84.3 | -73.8 | 0 | 0 | 0 | 112.3 | I623 M624 K630 L631 | I623-Y627 HydrophobicContact CG2-CD2 3.84Å; I623-Y627 HydrophobicContact CG2-CE2 3.83Å; I623-Y627 VanDerWaalsContact O-CD2 3.27Å; I623-Y627 WeakPolarHBondContact O-CD2 3.34Å; I623-Y627 PolarHBondContact O-N 3.35Å; I623-Y627 VanDerWaalsContact O-N 3.1Å; M624-Y627 CarbonylContact O-C 3.59Å; M624-Y627 WeakPolarHBondContact O-CA 3.42Å; M624-Y627 PolarHBondContact O-N 3.41Å; Y627-K630 CarbonylContact O-C 3.58Å; Y627-K630 WeakPolarHBondContact O-CB 3.5Å; Y627-K630 PolarHBondContact O-N 2.98Å; Y627-L631 WeakPolarHBondContact O-CG 3.23Å; Y627-L631 PolarHBondContact O-N 2.84Å |
| 628 | E | 85.3 | Confident | 78.4 | Confident | 135 Ų | 135 | 104.9 Ų | 104.9 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66 | -43.8 | 175.7 | -173.1 | 169.2 | -175.4 | 0 | 0 | 111.3 | M624 D625 K630 L631 S632 | M624-E628 WeakPolarHBondContact O-CB 3.39Å; M624-E628 PolarHBondContact O-N 3.22Å; D625-E628 PolarHBondContact O-N 2.88Å; E628-K630 VanDerWaalsContact C-N 3.28Å; E628-K630 PolarHBondContact O-N 3.33Å; E628-L631 PolarHBondContact O-N 3.48Å; E628-L631 VanDerWaalsContact O-N 3.17Å; E628-S632 WeakPolarHBondContact O-CB 3.36Å; E628-S632 PolarHBondContact O-N 2.88Å |
| 629 | M | 84.4 | Confident | 79.8 | Confident | 123 Ų | 123 | 102.7 Ų | 102.7 | 61% | 0.606 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.2 | -36 | 171.8 | -174.7 | 176.3 | 60.8 | 0 | 0 | 112.1 | D625 T633 | D625-M629 WeakPolarHBondContact O-CB 2.96Å; D625-M629 PolarHBondContact O-N 3.1Å; M629-T633 WeakPolarHBondContact O-CB 3.22Å; M629-T633 WeakPolarHBondContact O-CG2 3.43Å; M629-T633 PolarHBondContact O-N 3.25Å; M629-T633 PolarHBondContact O-OG1 2.99Å |
| 630 | K | 84 | Confident | 81.1 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 50% | 0.504 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 172.5 | -84.6 | 180 | 176.9 | 175.5 | 0 | 112.7 | V626 Y627 E628 T633 L634 | V626-K630 WeakPolarHBondContact O-CB 3.48Å; V626-K630 WeakPolarHBondContact O-CG 3.26Å; V626-K630 PolarHBondContact O-N 3.35Å; V626-K630 VanDerWaalsContact O-N 3.15Å; Y627-K630 CarbonylContact O-C 3.58Å; Y627-K630 WeakPolarHBondContact O-CB 3.5Å; Y627-K630 PolarHBondContact O-N 2.98Å; E628-K630 VanDerWaalsContact C-N 3.28Å; E628-K630 PolarHBondContact O-N 3.33Å; K630-T633 WeakPolarHBondContact CA-OG1 3.4Å; K630-T633 PolarHBondContact O-N 3.25Å; K630-T633 PolarHBondContact O-OG1 3.1Å; K630-L634 WeakPolarHBondContact O-CB 3.44Å; K630-L634 VanDerWaalsContact O-CG 3.27Å; K630-L634 WeakPolarHBondContact O-CG 3.32Å; K630-L634 PolarHBondContact O-N 3.29Å |
| 631 | L | 83.8 | Confident | 82.6 | Confident | 117 Ų | 117 | 103.8 Ų | 103.8 | 61% | 0.613 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.4 | -45.1 | 176.9 | -73.7 | 164.6 | 0 | 0 | 0 | 110.9 | Y627 E628 T633 L634 A635 | Y627-L631 WeakPolarHBondContact O-CG 3.23Å; Y627-L631 PolarHBondContact O-N 2.84Å; E628-L631 PolarHBondContact O-N 3.48Å; E628-L631 VanDerWaalsContact O-N 3.17Å; L631-T633 PolarHBondContact O-N 3.34Å; L631-L634 PolarHBondContact O-N 2.92Å; L631-L634 VanDerWaalsContact O-N 3.13Å; L631-A635 WeakPolarHBondContact O-CB 3.5Å; L631-A635 PolarHBondContact O-N 3.05Å |
| 632 | S | 83.9 | Confident | 83.8 | Confident | 79 Ų | 79 | 106.8 Ų | 106.8 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.1 | -41.4 | 174.9 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | E628 L634 S636 | E628-S632 WeakPolarHBondContact O-CB 3.36Å; E628-S632 PolarHBondContact O-N 2.88Å; S632-L634 VanDerWaalsContact C-N 3.28Å; S632-L634 PolarHBondContact O-N 2.72Å; S632-S636 WeakPolarHBondContact O-CB 3.45Å; S632-S636 PolarHBondContact O-N 2.96Å; S632-S636 PolarHBondContact O-OG 3.08Å |
| 633 | T | 86 | Confident | 84.9 | Confident | 64 Ų | 64 | 106 Ų | 106 | 39% | 0.393 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -77.2 | -7.7 | 174.8 | 55 | 0 | 0 | 0 | 0 | 114.7 | M629 K630 L631 S636 K637 | M629-T633 WeakPolarHBondContact O-CB 3.22Å; M629-T633 WeakPolarHBondContact O-CG2 3.43Å; M629-T633 PolarHBondContact O-N 3.25Å; M629-T633 PolarHBondContact O-OG1 2.99Å; K630-T633 WeakPolarHBondContact CA-OG1 3.4Å; K630-T633 PolarHBondContact O-N 3.25Å; K630-T633 PolarHBondContact O-OG1 3.1Å; L631-T633 PolarHBondContact O-N 3.34Å; T633-S636 WeakPolarHBondContact CA-OG 3.4Å; T633-K637 VanDerWaalsContact O-CD 3.22Å; T633-K637 WeakPolarHBondContact O-CD 3.46Å; T633-K637 WeakPolarHBondContact O-CE 3.32Å; T633-K637 VanDerWaalsContact O-CG 3.28Å; T633-K637 WeakPolarHBondContact O-CG 3.43Å |
| 634 | L | 86 | Confident | 85.8 | Confident | 105 Ų | 105 | 105.6 Ų | 105.6 | 55% | 0.55 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -89.9 | -49.3 | 166.1 | -75.6 | 168.7 | 0 | 0 | 0 | 110.8 | K630 L631 S632 S636 K637 E638 | K630-L634 WeakPolarHBondContact O-CB 3.44Å; K630-L634 VanDerWaalsContact O-CG 3.27Å; K630-L634 WeakPolarHBondContact O-CG 3.32Å; K630-L634 PolarHBondContact O-N 3.29Å; L631-L634 PolarHBondContact O-N 2.92Å; L631-L634 VanDerWaalsContact O-N 3.13Å; S632-L634 VanDerWaalsContact C-N 3.28Å; S632-L634 PolarHBondContact O-N 2.72Å; L634-S636 VanDerWaalsContact C-N 3.3Å; L634-S636 PolarHBondContact O-N 3.12Å; L634-K637 CarbonylContact O-C 3.59Å; L634-K637 WeakPolarHBondContact O-CA 3.4Å; L634-K637 WeakPolarHBondContact O-CB 3.4Å; L634-K637 PolarHBondContact O-N 3Å; L634-E638 PolarHBondContact O-N 2.93Å |
| 635 | A | 86.5 | Confident | 86.5 | Confident | 53 Ų | 53 | 105.6 Ų | 105.6 | 44% | 0.438 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.4 | -39 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L631 K637 E638 S639 | L631-A635 WeakPolarHBondContact O-CB 3.5Å; L631-A635 PolarHBondContact O-N 3.05Å; A635-K637 VanDerWaalsContact C-N 3.34Å; A635-K637 PolarHBondContact O-N 3.31Å; A635-E638 PolarHBondContact O-N 2.88Å; A635-S639 WeakPolarHBondContact O-CB 3.37Å; A635-S639 PolarHBondContact O-N 3.16Å |
| 636 | S | 87 | Confident | 87.1 | Confident | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.4 | -25.2 | 173.9 | 51.5 | 0 | 0 | 0 | 0 | 113.9 | S632 T633 L634 R640 | S632-S636 WeakPolarHBondContact O-CB 3.45Å; S632-S636 PolarHBondContact O-N 2.96Å; S632-S636 PolarHBondContact O-OG 3.08Å; T633-S636 WeakPolarHBondContact CA-OG 3.4Å; L634-S636 VanDerWaalsContact C-N 3.3Å; L634-S636 PolarHBondContact O-N 3.12Å; S636-R640 WeakPolarHBondContact O-CB 3.37Å; S636-R640 PolarHBondContact O-N 2.78Å |
| 637 | K | 89.1 | Confident | 87.7 | Confident | 127 Ų | 127 | 107.6 Ų | 107.6 | 55% | 0.552 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -77.5 | -38.5 | 169.5 | -72.9 | 172.5 | -172.5 | 165.4 | 0 | 111.6 | T633 L634 A635 R640 L641 | T633-K637 VanDerWaalsContact O-CD 3.22Å; T633-K637 WeakPolarHBondContact O-CD 3.46Å; T633-K637 WeakPolarHBondContact O-CE 3.32Å; T633-K637 VanDerWaalsContact O-CG 3.28Å; T633-K637 WeakPolarHBondContact O-CG 3.43Å; L634-K637 CarbonylContact O-C 3.59Å; L634-K637 WeakPolarHBondContact O-CA 3.4Å; L634-K637 WeakPolarHBondContact O-CB 3.4Å; L634-K637 PolarHBondContact O-N 3Å; A635-K637 VanDerWaalsContact C-N 3.34Å; A635-K637 PolarHBondContact O-N 3.31Å; K637-R640 PolarHBondContact O-N 3.48Å; K637-L641 WeakPolarHBondContact O-CB 3.44Å; K637-L641 VanDerWaalsContact O-CG 3.29Å; K637-L641 WeakPolarHBondContact O-CG 3.22Å; K637-L641 PolarHBondContact O-N 3.27Å |
| 638 | E | 88.9 | Confident | 88.1 | Confident | 133 Ų | 133 | 107.3 Ų | 107.3 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.9 | -50.4 | 175.8 | -175.9 | 171.4 | -160.2 | 0 | 0 | 110.7 | L634 A635 R640 L641 Q642 | L634-E638 PolarHBondContact O-N 2.93Å; A635-E638 PolarHBondContact O-N 2.88Å; E638-R640 VanDerWaalsContact C-N 3.33Å; E638-R640 PolarHBondContact O-N 3.01Å; E638-L641 CarbonylContact O-C 3.58Å; E638-L641 WeakPolarHBondContact O-CB 3.43Å; E638-L641 PolarHBondContact O-N 2.83Å; E638-Q642 PolarHBondContact O-N 3.17Å |
| 639 | S | 87.5 | Confident | 88.3 | Confident | 67 Ų | 67 | 103.5 Ų | 103.5 | 47% | 0.469 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -52.7 | -49.7 | 171.8 | -170.6 | 0 | 0 | 0 | 0 | 111.6 | A635 L641 Q642 D643 | A635-S639 WeakPolarHBondContact O-CB 3.37Å; A635-S639 PolarHBondContact O-N 3.16Å; S639-L641 VanDerWaalsContact C-N 3.27Å; S639-L641 PolarHBondContact O-N 3.1Å; S639-Q642 WeakPolarHBondContact O-CA 3.28Å; S639-Q642 VanDerWaalsContact O-CB 3.26Å; S639-Q642 WeakPolarHBondContact O-CB 3.5Å; S639-Q642 PolarHBondContact O-N 3.38Å; S639-Q642 VanDerWaalsContact O-N 3.08Å; S639-D643 PolarHBondContact O-N 3.45Å |
| 640 | R | 88.4 | Confident | 88.7 | Confident | 194 Ų | 194 | 102.9 Ų | 102.9 | 73% | 0.732 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.9 | -28.4 | 179.2 | -174.7 | 176.3 | 175.7 | -166.1 | -1.6 | 113.5 | S636 K637 E638 L644 | S636-R640 WeakPolarHBondContact O-CB 3.37Å; S636-R640 PolarHBondContact O-N 2.78Å; K637-R640 PolarHBondContact O-N 3.48Å; E638-R640 VanDerWaalsContact C-N 3.33Å; E638-R640 PolarHBondContact O-N 3.01Å; R640-L644 WeakPolarHBondContact O-CB 3.14Å; R640-L644 PolarHBondContact O-N 2.84Å |
| 641 | L | 89.5 | Confident | 89 | Confident | 113 Ų | 113 | 100 Ų | 100 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -76.4 | -34.8 | 173.1 | -74.9 | 169 | 0 | 0 | 0 | 111.5 | K637 E638 S639 L644 L645 | K637-L641 WeakPolarHBondContact O-CB 3.44Å; K637-L641 VanDerWaalsContact O-CG 3.29Å; K637-L641 WeakPolarHBondContact O-CG 3.22Å; K637-L641 PolarHBondContact O-N 3.27Å; E638-L641 CarbonylContact O-C 3.58Å; E638-L641 WeakPolarHBondContact O-CB 3.43Å; E638-L641 PolarHBondContact O-N 2.83Å; S639-L641 VanDerWaalsContact C-N 3.27Å; S639-L641 PolarHBondContact O-N 3.1Å; L641-L644 PolarHBondContact O-N 3.48Å; L641-L645 WeakPolarHBondContact O-CB 3.37Å; L641-L645 PolarHBondContact O-N 3.25Å |
| 642 | Q | 90.3 | Very high | 89.4 | Confident | 122 Ų | 122 | 99.8 Ų | 99.8 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.3 | -50.1 | 172 | -160.4 | 75.1 | -9.1 | 0 | 0 | 110.5 | E638 S639 L644 L645 E646 | E638-Q642 PolarHBondContact O-N 3.17Å; S639-Q642 WeakPolarHBondContact O-CA 3.28Å; S639-Q642 VanDerWaalsContact O-CB 3.26Å; S639-Q642 WeakPolarHBondContact O-CB 3.5Å; S639-Q642 PolarHBondContact O-N 3.38Å; S639-Q642 VanDerWaalsContact O-N 3.08Å; Q642-L644 VanDerWaalsContact C-N 3.28Å; Q642-L644 PolarHBondContact O-N 3.21Å; Q642-L645 PolarHBondContact O-N 2.83Å; Q642-E646 PolarHBondContact O-N 3.13Å |
| 643 | D | 91.9 | Very high | 89.7 | Confident | 86 Ų | 86 | 98.9 Ų | 98.9 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -56.6 | -42 | 175.6 | -54 | -31.4 | 0 | 0 | 0 | 111.6 | S639 L645 T647 | S639-D643 PolarHBondContact O-N 3.45Å; D643-L645 VanDerWaalsContact C-N 3.34Å; D643-T647 WeakPolarHBondContact O-CB 3.45Å; D643-T647 WeakPolarHBondContact O-CG2 3.33Å; D643-T647 PolarHBondContact O-N 2.94Å; D643-T647 PolarHBondContact O-OG1 3.41Å |
| 644 | L | 92.5 | Very high | 90.1 | Very high | 89 Ų | 89 | 102.2 Ų | 102.2 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.3 | -27.8 | 178.9 | -172.7 | 64.3 | 0 | 0 | 0 | 112.8 | R640 L641 Q642 T647 K648 | R640-L644 WeakPolarHBondContact O-CB 3.14Å; R640-L644 PolarHBondContact O-N 2.84Å; L641-L644 PolarHBondContact O-N 3.48Å; Q642-L644 VanDerWaalsContact C-N 3.28Å; Q642-L644 PolarHBondContact O-N 3.21Å; L644-T647 WeakPolarHBondContact CA-OG1 3.3Å; L644-T647 PolarHBondContact O-OG1 2.95Å; L644-K648 WeakPolarHBondContact O-CB 3.26Å; L644-K648 VanDerWaalsContact O-CG 3.28Å; L644-K648 WeakPolarHBondContact O-CG 3.4Å; L644-K648 PolarHBondContact O-N 2.84Å |
| 645 | L | 89.8 | Confident | 90.3 | Very high | 115 Ų | 115 | 99.2 Ų | 99.2 | 60% | 0.602 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -78.7 | -43.7 | 176.3 | -172.1 | 150.1 | 0 | 0 | 0 | 110.8 | L641 Q642 D643 K648 A649 | L641-L645 WeakPolarHBondContact O-CB 3.37Å; L641-L645 PolarHBondContact O-N 3.25Å; Q642-L645 PolarHBondContact O-N 2.83Å; D643-L645 VanDerWaalsContact C-N 3.34Å; L645-K648 PolarHBondContact O-N 3.42Å; L645-A649 WeakPolarHBondContact O-CB 3.17Å; L645-A649 PolarHBondContact O-N 2.9Å |
| 646 | E | 92.5 | Very high | 90.5 | Very high | 120 Ų | 120 | 101 Ų | 101 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.6 | -47.7 | 176 | -176.2 | 170.3 | -166.8 | 0 | 0 | 111.5 | Q642 K648 A649 L650 | Q642-E646 PolarHBondContact O-N 3.13Å; E646-K648 VanDerWaalsContact C-N 3.28Å; E646-K648 PolarHBondContact O-N 2.82Å; E646-A649 PolarHBondContact O-N 3.31Å; E646-A649 VanDerWaalsContact O-N 3.09Å; E646-L650 HydrophobicContact CG-CD1 4.29Å; E646-L650 WeakPolarHBondContact O-CG 3.49Å; E646-L650 PolarHBondContact O-N 3.03Å |
| 647 | T | 91.7 | Very high | 90.8 | Very high | 83 Ų | 83 | 106.9 Ų | 106.9 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.2 | -35.1 | 175.8 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | D643 L644 A651 | D643-T647 WeakPolarHBondContact O-CB 3.45Å; D643-T647 WeakPolarHBondContact O-CG2 3.33Å; D643-T647 PolarHBondContact O-N 2.94Å; D643-T647 PolarHBondContact O-OG1 3.41Å; L644-T647 WeakPolarHBondContact CA-OG1 3.3Å; L644-T647 PolarHBondContact O-OG1 2.95Å; T647-A651 WeakPolarHBondContact O-CB 3.45Å; T647-A651 PolarHBondContact O-N 3.37Å; T647-A651 VanDerWaalsContact O-N 3.07Å |
| 648 | K | 90.9 | Very high | 91 | Very high | 141 Ų | 141 | 104.8 Ų | 104.8 | 61% | 0.613 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -68.9 | -39.4 | 171.3 | -82.6 | -178.1 | 175.2 | -174.7 | 0 | 113.2 | L644 L645 E646 A651 L652 | L644-K648 WeakPolarHBondContact O-CB 3.26Å; L644-K648 VanDerWaalsContact O-CG 3.28Å; L644-K648 WeakPolarHBondContact O-CG 3.4Å; L644-K648 PolarHBondContact O-N 2.84Å; L645-K648 PolarHBondContact O-N 3.42Å; E646-K648 VanDerWaalsContact C-N 3.28Å; E646-K648 PolarHBondContact O-N 2.82Å; K648-A651 PolarHBondContact O-N 3.05Å; K648-L652 WeakPolarHBondContact O-CB 3.44Å; K648-L652 PolarHBondContact O-N 3.22Å |
| 649 | A | 89.8 | Confident | 91.1 | Very high | 55 Ų | 55 | 102.1 Ų | 102.1 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L645 E646 L652 A653 | L645-A649 WeakPolarHBondContact O-CB 3.17Å; L645-A649 PolarHBondContact O-N 2.9Å; E646-A649 PolarHBondContact O-N 3.31Å; E646-A649 VanDerWaalsContact O-N 3.09Å; A649-L652 PolarHBondContact O-N 3.3Å; A649-A653 PolarHBondContact O-N 3.35Å |
| 650 | L | 92.5 | Very high | 91.3 | Very high | 110 Ų | 110 | 101.6 Ų | 101.6 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.5 | -43.4 | 174 | -68.4 | 171.4 | 0 | 0 | 0 | 112 | E646 L652 A653 Q654 | E646-L650 HydrophobicContact CG-CD1 4.29Å; E646-L650 WeakPolarHBondContact O-CG 3.49Å; E646-L650 PolarHBondContact O-N 3.03Å; L650-L652 PolarHBondContact O-N 3.35Å; L650-A653 PolarHBondContact O-N 3.32Å; L650-Q654 PolarHBondContact O-N 2.91Å |
| 651 | A | 91.4 | Very high | 91.5 | Very high | 57 Ų | 57 | 97.1 Ų | 97.1 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.7 | -38.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | T647 K648 Q654 A655 | T647-A651 WeakPolarHBondContact O-CB 3.45Å; T647-A651 PolarHBondContact O-N 3.37Å; T647-A651 VanDerWaalsContact O-N 3.07Å; K648-A651 PolarHBondContact O-N 3.05Å; A651-Q654 PolarHBondContact O-N 3.07Å; A651-A655 PolarHBondContact O-N 3.36Å |
| 652 | L | 91.4 | Very high | 91.7 | Very high | 112 Ų | 112 | 97.3 Ų | 97.3 | 59% | 0.586 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -49.9 | 174.6 | -168.8 | 78.9 | 0 | 0 | 0 | 111 | K648 A649 L650 Q654 A655 D656 | K648-L652 WeakPolarHBondContact O-CB 3.44Å; K648-L652 PolarHBondContact O-N 3.22Å; A649-L652 PolarHBondContact O-N 3.3Å; L650-L652 PolarHBondContact O-N 3.35Å; L652-Q654 VanDerWaalsContact C-N 3.26Å; L652-Q654 PolarHBondContact O-N 3.31Å; L652-A655 WeakPolarHBondContact O-CA 3.41Å; L652-A655 WeakPolarHBondContact O-CB 3.21Å; L652-A655 PolarHBondContact O-N 2.89Å; L652-D656 PolarHBondContact O-N 3.2Å |
| 653 | A | 91 | Very high | 91.7 | Very high | 59 Ų | 59 | 99.9 Ų | 99.9 | 49% | 0.488 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -33.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A649 L650 R657 | A649-A653 PolarHBondContact O-N 3.35Å; L650-A653 PolarHBondContact O-N 3.32Å; A653-R657 WeakPolarHBondContact O-CB 3.48Å; A653-R657 PolarHBondContact O-N 3.33Å; A653-R657 VanDerWaalsContact O-N 3.13Å |
| 654 | Q | 92.7 | Very high | 91.7 | Very high | 135 Ų | 135 | 99.9 Ų | 99.9 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.3 | -39.8 | 172.7 | -173 | 174.8 | -0.3 | 0 | 0 | 112.2 | L650 A651 L652 R657 L658 | L650-Q654 PolarHBondContact O-N 2.91Å; A651-Q654 PolarHBondContact O-N 3.07Å; L652-Q654 VanDerWaalsContact C-N 3.26Å; L652-Q654 PolarHBondContact O-N 3.31Å; Q654-R657 PolarHBondContact O-N 3.05Å; Q654-L658 WeakPolarHBondContact O-CG 3.49Å; Q654-L658 PolarHBondContact O-N 3.07Å |
| 655 | A | 90.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 100.1 Ų | 100.1 | 35% | 0.347 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A651 L652 R657 L658 I659 | A651-A655 PolarHBondContact O-N 3.36Å; L652-A655 WeakPolarHBondContact O-CA 3.41Å; L652-A655 WeakPolarHBondContact O-CB 3.21Å; L652-A655 PolarHBondContact O-N 2.89Å; A655-R657 VanDerWaalsContact C-N 3.3Å; A655-R657 PolarHBondContact O-N 3.2Å; A655-L658 PolarHBondContact O-N 2.69Å; A655-L658 VanDerWaalsContact O-N 3.13Å; A655-I659 WeakPolarHBondContact O-CG1 3.31Å; A655-I659 PolarHBondContact O-N 3.34Å |
| 656 | D | 91.1 | Very high | 91.8 | Very high | 90 Ų | 90 | 102.9 Ų | 102.9 | 48% | 0.481 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 176.7 | -77.4 | -37.7 | 0 | 0 | 0 | 112.1 | L652 L658 I659 A660 | L652-D656 PolarHBondContact O-N 3.2Å; D656-L658 PolarHBondContact O-N 2.92Å; D656-I659 PolarHBondContact O-N 3.06Å; D656-A660 WeakPolarHBondContact O-CB 3.45Å; D656-A660 PolarHBondContact O-N 3.1Å |
| 657 | R | 93.7 | Very high | 91.7 | Very high | 195 Ų | 195 | 101.2 Ų | 101.2 | 74% | 0.736 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -41.8 | 173.9 | -176.3 | 177.3 | 177.3 | 178.2 | -0 | 112.4 | A653 Q654 A655 A660 Q661 | A653-R657 WeakPolarHBondContact O-CB 3.48Å; A653-R657 PolarHBondContact O-N 3.33Å; A653-R657 VanDerWaalsContact O-N 3.13Å; Q654-R657 PolarHBondContact O-N 3.05Å; A655-R657 VanDerWaalsContact C-N 3.3Å; A655-R657 PolarHBondContact O-N 3.2Å; R657-A660 PolarHBondContact O-N 3.03Å; R657-Q661 WeakPolarHBondContact O-CB 3.34Å; R657-Q661 PolarHBondContact O-N 3.49Å |
| 658 | L | 93.9 | Very high | 91.8 | Very high | 83 Ų | 83 | 102.4 Ų | 102.4 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -40 | 176.2 | -70.5 | 170.2 | 0 | 0 | 0 | 111.8 | Q654 A655 D656 A660 Q661 H662 | Q654-L658 WeakPolarHBondContact O-CG 3.49Å; Q654-L658 PolarHBondContact O-N 3.07Å; A655-L658 PolarHBondContact O-N 2.69Å; A655-L658 VanDerWaalsContact O-N 3.13Å; D656-L658 PolarHBondContact O-N 2.92Å; L658-A660 PolarHBondContact O-N 3.4Å; L658-Q661 PolarHBondContact O-N 3.04Å; L658-H662 PolarHBondContact O-CD2 3.15Å; L658-H662 VanDerWaalsContact O-CD2 3.31Å; L658-H662 PolarHBondContact O-N 3.07Å |
| 659 | I | 91.3 | Very high | 91.7 | Very high | 77 Ų | 77 | 98.2 Ų | 98.2 | 40% | 0.395 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 174.8 | -68.4 | 165.3 | 0 | 0 | 0 | 110.7 | A655 D656 R663 | A655-I659 WeakPolarHBondContact O-CG1 3.31Å; A655-I659 PolarHBondContact O-N 3.34Å; D656-I659 PolarHBondContact O-N 3.06Å; I659-R663 WeakPolarHBondContact O-CB 3.37Å; I659-R663 VanDerWaalsContact O-CG 3.26Å; I659-R663 WeakPolarHBondContact O-CG 3.32Å; I659-R663 PolarHBondContact O-N 3.13Å |
| 660 | A | 90.9 | Very high | 91.8 | Very high | 56 Ų | 56 | 98.5 Ų | 98.5 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D656 R657 L658 R663 C664 | D656-A660 WeakPolarHBondContact O-CB 3.45Å; D656-A660 PolarHBondContact O-N 3.1Å; R657-A660 PolarHBondContact O-N 3.03Å; L658-A660 PolarHBondContact O-N 3.4Å; A660-R663 PolarHBondContact O-N 3.3Å; A660-C664 PolarHBondContact O-N 2.95Å |
| 661 | Q | 93.1 | Very high | 91.8 | Very high | 99 Ų | 99 | 96.5 Ų | 96.5 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -48 | 176.8 | -178.5 | 173.9 | -15.2 | 0 | 0 | 112.1 | R657 L658 R663 C664 Q665 | R657-Q661 WeakPolarHBondContact O-CB 3.34Å; R657-Q661 PolarHBondContact O-N 3.49Å; L658-Q661 PolarHBondContact O-N 3.04Å; Q661-R663 PolarHBondContact O-N 3.38Å; Q661-C664 PolarHBondContact O-N 3.33Å; Q661-Q665 WeakPolarHBondContact O-CG 3.32Å; Q661-Q665 PolarHBondContact O-N 3.03Å |
| 662 | H | 92.8 | Very high | 91.9 | Very high | 117 Ų | 117 | 98.2 Ų | 98.2 | 54% | 0.542 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -35 | 178.2 | -74 | -48 | 0 | 0 | 0 | 113 | L658 Q665 R666 | L658-H662 PolarHBondContact O-CD2 3.15Å; L658-H662 VanDerWaalsContact O-CD2 3.31Å; L658-H662 PolarHBondContact O-N 3.07Å; H662-Q665 PolarHBondContact ND1-OE1 2.94Å; H662-R666 WeakPolarHBondContact O-CB 3.5Å; H662-R666 PolarHBondContact O-N 3.27Å |
| 663 | R | 90.9 | Very high | 91.9 | Very high | 177 Ų | 177 | 95.7 Ų | 95.7 | 67% | 0.668 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.7 | -47.6 | 171.1 | -75.7 | 172.9 | -178.4 | 179.7 | 3.6 | 111.1 | I659 A660 Q661 R666 T667 | I659-R663 WeakPolarHBondContact O-CB 3.37Å; I659-R663 VanDerWaalsContact O-CG 3.26Å; I659-R663 WeakPolarHBondContact O-CG 3.32Å; I659-R663 PolarHBondContact O-N 3.13Å; A660-R663 PolarHBondContact O-N 3.3Å; Q661-R663 PolarHBondContact O-N 3.38Å; R663-R666 PolarHBondContact O-N 3.35Å; R663-T667 PolarHBondContact O-N 3.13Å; R663-T667 PolarHBondContact O-OG1 3.16Å |
| 664 | C | 91.2 | Very high | 91.9 | Very high | 86 Ų | 86 | 99.8 Ų | 99.8 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61 | -47.6 | 178.1 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | A660 Q661 R666 T667 Q668 | A660-C664 PolarHBondContact O-N 2.95Å; Q661-C664 PolarHBondContact O-N 3.33Å; C664-R666 VanDerWaalsContact C-N 3.33Å; C664-R666 PolarHBondContact O-N 2.71Å; C664-T667 PolarHBondContact O-N 3.48Å; C664-Q668 PolarHBondContact O-N 3.07Å |
| 665 | Q | 92.1 | Very high | 92 | Very high | 94 Ų | 94 | 97.3 Ų | 97.3 | 44% | 0.439 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 176.4 | -73.2 | 174.8 | -28.9 | 0 | 0 | 112 | Q661 H662 Q668 A669 | Q661-Q665 WeakPolarHBondContact O-CG 3.32Å; Q661-Q665 PolarHBondContact O-N 3.03Å; H662-Q665 PolarHBondContact ND1-OE1 2.94Å; Q665-Q668 PolarHBondContact O-N 3.49Å; Q665-A669 PolarHBondContact O-N 3.27Å |
| 666 | R | 92.3 | Very high | 92.2 | Very high | 172 Ų | 172 | 100.6 Ų | 100.6 | 65% | 0.649 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | 175.7 | 178.2 | 179.6 | 162.1 | 156.9 | 2 | 111.6 | H662 R663 C664 Q668 A669 E670 | H662-R666 WeakPolarHBondContact O-CB 3.5Å; H662-R666 PolarHBondContact O-N 3.27Å; R663-R666 PolarHBondContact O-N 3.35Å; C664-R666 VanDerWaalsContact C-N 3.33Å; C664-R666 PolarHBondContact O-N 2.71Å; R666-Q668 VanDerWaalsContact C-N 3.3Å; R666-Q668 PolarHBondContact O-N 3.43Å; R666-A669 PolarHBondContact O-N 3.33Å; R666-E670 HydrophobicContact CG-CG 4.38Å; R666-E670 IonicContact CZ-OE1 2.69Å; R666-E670 VanDerWaalsContact CZ-OE1 3.22Å; R666-E670 IonicContact NE-OE1 3.9Å; R666-E670 PolarHBondContact NE-OE1 3.2Å; R666-E670 IonicContact NH2-OE1 2.66Å; R666-E670 PolarHBondContact NH2-OE1 3.5Å; R666-E670 WeakPolarHBondContact O-CB 3.32Å; R666-E670 WeakPolarHBondContact O-CG 3.42Å; R666-E670 PolarHBondContact O-N 3.14Å |
| 667 | T | 91.5 | Very high | 92.2 | Very high | 85 Ų | 85 | 98.5 Ų | 98.5 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -41.6 | 177.7 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | R663 C664 E670 T671 | R663-T667 PolarHBondContact O-N 3.13Å; R663-T667 PolarHBondContact O-OG1 3.16Å; C664-T667 PolarHBondContact O-N 3.48Å; T667-E670 PolarHBondContact O-N 3.41Å; T667-T671 PolarHBondContact O-N 2.85Å; T667-T671 PolarHBondContact O-OG1 2.78Å |
| 668 | Q | 92 | Very high | 92.2 | Very high | 108 Ų | 108 | 92.3 Ų | 92.3 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.4 | -52.5 | 174.6 | 179.9 | 178.7 | -12.7 | 0 | 0 | 111.8 | C664 Q665 R666 E670 T671 E672 | C664-Q668 PolarHBondContact O-N 3.07Å; Q665-Q668 PolarHBondContact O-N 3.49Å; R666-Q668 VanDerWaalsContact C-N 3.3Å; R666-Q668 PolarHBondContact O-N 3.43Å; Q668-E670 VanDerWaalsContact C-N 3.29Å; Q668-E670 PolarHBondContact O-N 3.38Å; Q668-T671 WeakPolarHBondContact CA-OG1 3.35Å; Q668-T671 WeakPolarHBondContact O-CA 3.46Å; Q668-T671 PolarHBondContact O-N 3.48Å; Q668-T671 PolarHBondContact O-OG1 3.38Å; Q668-E672 VanDerWaalsContact CG-OE1 3.25Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.22Å; Q668-E672 PolarHBondContact NE2-OE1 2.9Å; Q668-E672 PolarHBondContact O-N 3.23Å |
| 669 | A | 90.3 | Very high | 92.3 | Very high | 54 Ų | 54 | 93.4 Ų | 93.4 | 45% | 0.446 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -37.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q665 R666 T671 E672 A673 | Q665-A669 PolarHBondContact O-N 3.27Å; R666-A669 PolarHBondContact O-N 3.33Å; A669-T671 VanDerWaalsContact C-N 3.35Å; A669-E672 PolarHBondContact O-N 2.92Å; A669-A673 WeakPolarHBondContact O-CB 3.37Å; A669-A673 PolarHBondContact O-N 3.05Å |
| 670 | E | 92.2 | Very high | 92.3 | Very high | 61 Ų | 61 | 94.5 Ų | 94.5 | 29% | 0.285 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.5 | -30.9 | 172.9 | -71.9 | -173.6 | -162.5 | 0 | 0 | 113 | R666 T667 Q668 R674 | R666-E670 HydrophobicContact CG-CG 4.38Å; R666-E670 IonicContact CZ-OE1 2.69Å; R666-E670 VanDerWaalsContact CZ-OE1 3.22Å; R666-E670 IonicContact NE-OE1 3.9Å; R666-E670 PolarHBondContact NE-OE1 3.2Å; R666-E670 IonicContact NH2-OE1 2.66Å; R666-E670 PolarHBondContact NH2-OE1 3.5Å; R666-E670 WeakPolarHBondContact O-CB 3.32Å; R666-E670 WeakPolarHBondContact O-CG 3.42Å; R666-E670 PolarHBondContact O-N 3.14Å; T667-E670 PolarHBondContact O-N 3.41Å; Q668-E670 VanDerWaalsContact C-N 3.29Å; Q668-E670 PolarHBondContact O-N 3.38Å; E670-R674 VanDerWaalsContact CB-NH1 3.34Å; E670-R674 WeakPolarHBondContact O-CD 3.43Å; E670-R674 WeakPolarHBondContact O-CG 3.36Å; E670-R674 PolarHBondContact O-N 2.53Å; E670-R674 PolarHBondContact O-NH1 2.94Å; E670-R674 IonicContact OE2-CZ 3.13Å; E670-R674 IonicContact OE2-NH1 3.03Å; E670-R674 IonicContact OE2-NH2 3.07Å; E670-R674 PolarHBondContact OE2-NH2 3.04Å |
| 671 | T | 91.8 | Very high | 92.5 | Very high | 68 Ų | 68 | 100.2 Ų | 100.2 | 42% | 0.417 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.3 | -40.2 | 172.6 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | T667 Q668 A669 R674 T675 | T667-T671 PolarHBondContact O-N 2.85Å; T667-T671 PolarHBondContact O-OG1 2.78Å; Q668-T671 WeakPolarHBondContact CA-OG1 3.35Å; Q668-T671 WeakPolarHBondContact O-CA 3.46Å; Q668-T671 PolarHBondContact O-N 3.48Å; Q668-T671 PolarHBondContact O-OG1 3.38Å; A669-T671 VanDerWaalsContact C-N 3.35Å; T671-R674 PolarHBondContact O-N 3.23Å; T671-T675 PolarHBondContact O-N 2.82Å |
| 672 | E | 93.5 | Very high | 92.5 | Very high | 93 Ų | 93 | 100.3 Ų | 100.3 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 176.2 | -69.6 | 169.1 | -173.8 | 0 | 0 | 111.5 | Q668 A669 R674 T675 L676 | Q668-E672 VanDerWaalsContact CG-OE1 3.25Å; Q668-E672 WeakPolarHBondContact CG-OE1 3.22Å; Q668-E672 PolarHBondContact NE2-OE1 2.9Å; Q668-E672 PolarHBondContact O-N 3.23Å; A669-E672 PolarHBondContact O-N 2.92Å; E672-R674 VanDerWaalsContact C-N 3.31Å; E672-R674 PolarHBondContact O-N 3.42Å; E672-T675 PolarHBondContact O-N 3.47Å; E672-T675 PolarHBondContact O-OG1 3.39Å; E672-L676 WeakPolarHBondContact O-CB 3.43Å; E672-L676 VanDerWaalsContact O-CG 3.31Å; E672-L676 WeakPolarHBondContact O-CG 3.45Å; E672-L676 PolarHBondContact O-N 2.89Å |
| 673 | A | 91.2 | Very high | 92.6 | Very high | 58 Ų | 58 | 99.4 Ų | 99.4 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A669 A677 | A669-A673 WeakPolarHBondContact O-CB 3.37Å; A669-A673 PolarHBondContact O-N 3.05Å; A673-A677 VanDerWaalsContact O-CB 3.32Å; A673-A677 WeakPolarHBondContact O-CB 3.08Å; A673-A677 PolarHBondContact O-N 3.08Å |
| 674 | R | 92.1 | Very high | 92.6 | Very high | 146 Ų | 146 | 95.8 Ų | 95.8 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.6 | -38.9 | 176.8 | -72.6 | 170.1 | -166.7 | 115.4 | 4.7 | 112.3 | E670 T671 E672 S678 | E670-R674 VanDerWaalsContact CB-NH1 3.34Å; E670-R674 WeakPolarHBondContact O-CD 3.43Å; E670-R674 WeakPolarHBondContact O-CG 3.36Å; E670-R674 PolarHBondContact O-N 2.53Å; E670-R674 PolarHBondContact O-NH1 2.94Å; E670-R674 IonicContact OE2-CZ 3.13Å; E670-R674 IonicContact OE2-NH1 3.03Å; E670-R674 IonicContact OE2-NH2 3.07Å; E670-R674 PolarHBondContact OE2-NH2 3.04Å; T671-R674 PolarHBondContact O-N 3.23Å; E672-R674 VanDerWaalsContact C-N 3.31Å; E672-R674 PolarHBondContact O-N 3.42Å; R674-S678 PolarHBondContact O-N 3.27Å; R674-S678 VanDerWaalsContact O-N 3.1Å |
| 675 | T | 94 | Very high | 92.7 | Very high | 82 Ų | 82 | 97.4 Ų | 97.4 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.6 | -41.6 | 176.8 | 56 | 0 | 0 | 0 | 0 | 111.7 | T671 E672 A677 S678 M679 | T671-T675 PolarHBondContact O-N 2.82Å; E672-T675 PolarHBondContact O-N 3.47Å; E672-T675 PolarHBondContact O-OG1 3.39Å; T675-A677 PolarHBondContact O-N 3.4Å; T675-S678 WeakPolarHBondContact O-CB 3.4Å; T675-S678 PolarHBondContact O-N 2.99Å; T675-M679 PolarHBondContact O-N 3.36Å |
| 676 | L | 94.3 | Very high | 92.8 | Very high | 111 Ų | 111 | 97.9 Ų | 97.9 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.3 | -45.9 | 172.9 | -72.5 | 167.7 | 0 | 0 | 0 | 111.9 | E672 S678 M679 L680 | E672-L676 WeakPolarHBondContact O-CB 3.43Å; E672-L676 VanDerWaalsContact O-CG 3.31Å; E672-L676 WeakPolarHBondContact O-CG 3.45Å; E672-L676 PolarHBondContact O-N 2.89Å; L676-S678 VanDerWaalsContact C-N 3.29Å; L676-S678 PolarHBondContact O-N 3.09Å; L676-M679 HydrophobicContact CD2-CE 4.01Å; L676-M679 PolarHBondContact O-N 3.07Å; L676-L680 WeakPolarHBondContact O-CB 3.45Å; L676-L680 PolarHBondContact O-N 3.22Å |
| 677 | A | 91.1 | Very high | 92.8 | Very high | 46 Ų | 46 | 95 Ų | 95 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.7 | -31.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A673 T675 R681 | A673-A677 VanDerWaalsContact O-CB 3.32Å; A673-A677 WeakPolarHBondContact O-CB 3.08Å; A673-A677 PolarHBondContact O-N 3.08Å; T675-A677 PolarHBondContact O-N 3.4Å; A677-R681 WeakPolarHBondContact O-CG 3.33Å; A677-R681 PolarHBondContact O-N 3.33Å |
| 678 | S | 93.3 | Very high | 92.9 | Very high | 66 Ų | 66 | 97 Ų | 97 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.1 | -46.6 | 174.5 | -162 | 0 | 0 | 0 | 0 | 111.7 | R674 T675 L676 L680 R681 E682 | R674-S678 PolarHBondContact O-N 3.27Å; R674-S678 VanDerWaalsContact O-N 3.1Å; T675-S678 WeakPolarHBondContact O-CB 3.4Å; T675-S678 PolarHBondContact O-N 2.99Å; L676-S678 VanDerWaalsContact C-N 3.29Å; L676-S678 PolarHBondContact O-N 3.09Å; S678-L680 VanDerWaalsContact C-N 3.32Å; S678-L680 PolarHBondContact O-N 3.43Å; S678-R681 PolarHBondContact O-N 2.86Å; S678-E682 PolarHBondContact O-N 3.29Å; S678-E682 VanDerWaalsContact O-N 3.16Å |
| 679 | M | 95.4 | Very high | 93 | Very high | 105 Ų | 105 | 96.5 Ų | 96.5 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -36.8 | 178.1 | -69.5 | -176.1 | -69.8 | 0 | 0 | 112.1 | T675 L676 E682 V683 | T675-M679 PolarHBondContact O-N 3.36Å; L676-M679 HydrophobicContact CD2-CE 4.01Å; L676-M679 PolarHBondContact O-N 3.07Å; M679-E682 PolarHBondContact O-N 3.11Å; M679-V683 WeakPolarHBondContact O-CG2 3.49Å; M679-V683 PolarHBondContact O-N 3.35Å; M679-V683 VanDerWaalsContact O-N 3.07Å |
| 680 | L | 93.2 | Very high | 93.1 | Very high | 100 Ų | 100 | 99.2 Ų | 99.2 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 177.4 | -170.1 | 147.3 | 0 | 0 | 0 | 111.3 | L676 S678 E682 V683 E684 | L676-L680 WeakPolarHBondContact O-CB 3.45Å; L676-L680 PolarHBondContact O-N 3.22Å; S678-L680 VanDerWaalsContact C-N 3.32Å; S678-L680 PolarHBondContact O-N 3.43Å; L680-E682 VanDerWaalsContact C-N 3.31Å; L680-E682 PolarHBondContact O-N 3.32Å; L680-V683 PolarHBondContact O-N 2.69Å; L680-V683 VanDerWaalsContact O-N 3.09Å; L680-E684 HydrophobicContact CD2-CG 4.07Å; L680-E684 WeakPolarHBondContact CD2-OE1 3.31Å; L680-E684 WeakPolarHBondContact CD2-OE2 3.48Å; L680-E684 WeakPolarHBondContact O-CG 3.3Å; L680-E684 PolarHBondContact O-N 3.04Å |
| 681 | R | 93.7 | Very high | 93.1 | Very high | 177 Ų | 177 | 98.6 Ų | 98.6 | 67% | 0.668 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.9 | -36.6 | 174.3 | -71.7 | 171 | -179.5 | 176.7 | -0.4 | 113.5 | A677 S678 V683 K685 | A677-R681 WeakPolarHBondContact O-CG 3.33Å; A677-R681 PolarHBondContact O-N 3.33Å; S678-R681 PolarHBondContact O-N 2.86Å; R681-V683 VanDerWaalsContact C-N 3.33Å; R681-K685 WeakPolarHBondContact O-CB 3.49Å; R681-K685 PolarHBondContact O-N 2.93Å |
| 682 | E | 93.4 | Very high | 93.2 | Very high | 101 Ų | 101 | 100.1 Ų | 100.1 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.3 | -35.3 | 174.2 | -81 | -169.9 | -136.1 | 0 | 0 | 112.7 | S678 M679 L680 K686 | S678-E682 PolarHBondContact O-N 3.29Å; S678-E682 VanDerWaalsContact O-N 3.16Å; M679-E682 PolarHBondContact O-N 3.11Å; L680-E682 VanDerWaalsContact C-N 3.31Å; L680-E682 PolarHBondContact O-N 3.32Å; E682-K686 WeakPolarHBondContact O-CB 3.39Å; E682-K686 VanDerWaalsContact O-CD 3.28Å; E682-K686 WeakPolarHBondContact O-CD 3.06Å; E682-K686 WeakPolarHBondContact O-CG 3.4Å; E682-K686 PolarHBondContact O-N 3.05Å; E682-K686 VanDerWaalsContact O-N 3.11Å; E682-K686 IonicContact OE2-NZ 3.34Å; E682-K686 PolarHBondContact OE2-NZ 2.94Å |
| 683 | V | 94.3 | Very high | 93.3 | Very high | 97 Ų | 97 | 101.2 Ų | 101.2 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.2 | -42.1 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | M679 L680 R681 K686 N687 | M679-V683 WeakPolarHBondContact O-CG2 3.49Å; M679-V683 PolarHBondContact O-N 3.35Å; M679-V683 VanDerWaalsContact O-N 3.07Å; L680-V683 PolarHBondContact O-N 2.69Å; L680-V683 VanDerWaalsContact O-N 3.09Å; R681-V683 VanDerWaalsContact C-N 3.33Å; V683-K686 PolarHBondContact O-N 3.43Å; V683-N687 WeakPolarHBondContact O-CB 3.49Å; V683-N687 PolarHBondContact O-N 3.37Å |
| 684 | E | 91 | Very high | 93.3 | Very high | 102 Ų | 102 | 103.7 Ų | 103.7 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.5 | -52.6 | 173 | -71.6 | 173.8 | 144.9 | 0 | 0 | 111 | L680 K686 N687 E688 | L680-E684 HydrophobicContact CD2-CG 4.07Å; L680-E684 WeakPolarHBondContact CD2-OE1 3.31Å; L680-E684 WeakPolarHBondContact CD2-OE2 3.48Å; L680-E684 WeakPolarHBondContact O-CG 3.3Å; L680-E684 PolarHBondContact O-N 3.04Å; E684-K686 PolarHBondContact O-N 3.12Å; E684-N687 WeakPolarHBondContact O-CA 3.48Å; E684-N687 WeakPolarHBondContact O-CB 3.26Å; E684-N687 PolarHBondContact O-N 2.92Å; E684-E688 WeakPolarHBondContact O-CG 3.37Å; E684-E688 PolarHBondContact O-N 3.21Å |
| 685 | K | 94.4 | Very high | 93.4 | Very high | 119 Ų | 119 | 102.8 Ų | 102.8 | 52% | 0.517 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 178 | -174.1 | 174.1 | -175 | -75.3 | 0 | 113 | R681 N687 E688 E689 | R681-K685 WeakPolarHBondContact O-CB 3.49Å; R681-K685 PolarHBondContact O-N 2.93Å; K685-N687 VanDerWaalsContact C-N 3.3Å; K685-N687 PolarHBondContact O-N 2.94Å; K685-E688 PolarHBondContact O-N 3.27Å; K685-E689 IonicContact NZ-OE1 2.79Å; K685-E689 PolarHBondContact NZ-OE1 3.48Å; K685-E689 VanDerWaalsContact O-CG 3.32Å; K685-E689 WeakPolarHBondContact O-CG 3.45Å; K685-E689 PolarHBondContact O-N 2.87Å |
| 686 | K | 94.1 | Very high | 93.3 | Very high | 104 Ų | 104 | 101.6 Ų | 101.6 | 45% | 0.452 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -33.4 | 176.2 | -73.1 | 163.3 | -167.3 | 154.9 | 0 | 111.8 | E682 V683 E684 L690 | E682-K686 WeakPolarHBondContact O-CB 3.39Å; E682-K686 VanDerWaalsContact O-CD 3.28Å; E682-K686 WeakPolarHBondContact O-CD 3.06Å; E682-K686 WeakPolarHBondContact O-CG 3.4Å; E682-K686 PolarHBondContact O-N 3.05Å; E682-K686 VanDerWaalsContact O-N 3.11Å; E682-K686 IonicContact OE2-NZ 3.34Å; E682-K686 PolarHBondContact OE2-NZ 2.94Å; V683-K686 PolarHBondContact O-N 3.43Å; E684-K686 PolarHBondContact O-N 3.12Å; K686-L690 WeakPolarHBondContact O-CB 3.2Å; K686-L690 VanDerWaalsContact O-CG 3.27Å; K686-L690 WeakPolarHBondContact O-CG 3.46Å; K686-L690 PolarHBondContact O-N 2.92Å |
| 687 | N | 92.3 | Very high | 93.2 | Very high | 111 Ų | 111 | 102.7 Ų | 102.7 | 59% | 0.594 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -72.1 | -36.5 | 175.3 | -171.2 | 52.9 | 0 | 0 | 0 | 112.1 | V683 E684 K685 S691 | V683-N687 WeakPolarHBondContact O-CB 3.49Å; V683-N687 PolarHBondContact O-N 3.37Å; E684-N687 WeakPolarHBondContact O-CA 3.48Å; E684-N687 WeakPolarHBondContact O-CB 3.26Å; E684-N687 PolarHBondContact O-N 2.92Å; K685-N687 VanDerWaalsContact C-N 3.3Å; K685-N687 PolarHBondContact O-N 2.94Å; N687-S691 VanDerWaalsContact O-CB 3.31Å; N687-S691 WeakPolarHBondContact O-CB 3.36Å; N687-S691 PolarHBondContact O-N 3.4Å |
| 688 | E | 93.7 | Very high | 93.3 | Very high | 128 Ų | 128 | 105.3 Ų | 105.3 | 60% | 0.598 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.5 | -48.4 | 170.6 | -69.7 | 172.7 | 165.9 | 0 | 0 | 111.4 | E684 K685 L690 S691 V692 | E684-E688 WeakPolarHBondContact O-CG 3.37Å; E684-E688 PolarHBondContact O-N 3.21Å; K685-E688 PolarHBondContact O-N 3.27Å; E688-L690 PolarHBondContact O-N 2.93Å; E688-S691 PolarHBondContact O-N 3.07Å; E688-S691 VanDerWaalsContact O-N 3.13Å; E688-V692 WeakPolarHBondContact O-CG2 3.37Å; E688-V692 PolarHBondContact O-N 3.09Å |
| 689 | E | 93.8 | Very high | 93.3 | Very high | 98 Ų | 98 | 105 Ų | 105 | 46% | 0.458 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.5 | -46.2 | 175.6 | -74.5 | 169.2 | 175.8 | 0 | 0 | 111.9 | K685 V692 L693 | K685-E689 IonicContact NZ-OE1 2.79Å; K685-E689 PolarHBondContact NZ-OE1 3.48Å; K685-E689 VanDerWaalsContact O-CG 3.32Å; K685-E689 WeakPolarHBondContact O-CG 3.45Å; K685-E689 PolarHBondContact O-N 2.87Å; E689-V692 PolarHBondContact O-N 3.01Å; E689-L693 PolarHBondContact O-N 3.31Å |
| 690 | L | 92.9 | Very high | 93.2 | Very high | 111 Ų | 111 | 106.4 Ų | 106.4 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.1 | -36.8 | 175.1 | -73.8 | 169.3 | 0 | 0 | 0 | 112.8 | K686 E688 L693 L694 | K686-L690 WeakPolarHBondContact O-CB 3.2Å; K686-L690 VanDerWaalsContact O-CG 3.27Å; K686-L690 WeakPolarHBondContact O-CG 3.46Å; K686-L690 PolarHBondContact O-N 2.92Å; E688-L690 PolarHBondContact O-N 2.93Å; L690-L693 PolarHBondContact O-N 3Å; L690-L694 VanDerWaalsContact O-CB 3.32Å; L690-L694 WeakPolarHBondContact O-CB 3.5Å; L690-L694 PolarHBondContact O-N 3.05Å |
| 691 | S | 92.8 | Very high | 93 | Very high | 48 Ų | 48 | 105.2 Ų | 105.2 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 176.4 | -170.2 | 0 | 0 | 0 | 0 | 112 | N687 E688 K695 | N687-S691 VanDerWaalsContact O-CB 3.31Å; N687-S691 WeakPolarHBondContact O-CB 3.36Å; N687-S691 PolarHBondContact O-N 3.4Å; E688-S691 PolarHBondContact O-N 3.07Å; E688-S691 VanDerWaalsContact O-N 3.13Å; S691-K695 WeakPolarHBondContact O-CB 3.39Å; S691-K695 VanDerWaalsContact O-CG 3.26Å; S691-K695 WeakPolarHBondContact O-CG 3.45Å; S691-K695 PolarHBondContact O-N 3.02Å |
| 692 | V | 93.7 | Very high | 93 | Very high | 99 Ų | 99 | 101.5 Ų | 101.5 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.9 | -45.2 | 173 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | E688 E689 L694 K695 A696 | E688-V692 WeakPolarHBondContact O-CG2 3.37Å; E688-V692 PolarHBondContact O-N 3.09Å; E689-V692 PolarHBondContact O-N 3.01Å; V692-L694 PolarHBondContact O-N 3.26Å; V692-K695 PolarHBondContact O-N 2.65Å; V692-A696 PolarHBondContact O-N 2.81Å |
| 693 | L | 93.8 | Very high | 93 | Very high | 116 Ų | 116 | 104.4 Ų | 104.4 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63 | -43.5 | 179 | -158.4 | 78.1 | 0 | 0 | 0 | 112.1 | E689 L690 A696 Q697 | E689-L693 PolarHBondContact O-N 3.31Å; L690-L693 PolarHBondContact O-N 3Å; L693-A696 PolarHBondContact O-N 3.25Å; L693-Q697 PolarHBondContact O-N 2.84Å |
| 694 | L | 92.5 | Very high | 92.8 | Very high | 111 Ų | 111 | 102 Ų | 102 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 177.8 | -171.5 | 155.3 | 0 | 0 | 0 | 111.6 | L690 V692 Q697 Q698 | L690-L694 VanDerWaalsContact O-CB 3.32Å; L690-L694 WeakPolarHBondContact O-CB 3.5Å; L690-L694 PolarHBondContact O-N 3.05Å; V692-L694 PolarHBondContact O-N 3.26Å; L694-Q697 PolarHBondContact O-N 3.07Å; L694-Q698 WeakPolarHBondContact O-CB 3.49Å; L694-Q698 PolarHBondContact O-N 3.32Å |
| 695 | K | 93.5 | Very high | 93 | Very high | 126 Ų | 126 | 103.1 Ų | 103.1 | 55% | 0.548 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 173.9 | -74.6 | 169.6 | -177.7 | 172.7 | 0 | 112.3 | S691 V692 Q698 V699 | S691-K695 WeakPolarHBondContact O-CB 3.39Å; S691-K695 VanDerWaalsContact O-CG 3.26Å; S691-K695 WeakPolarHBondContact O-CG 3.45Å; S691-K695 PolarHBondContact O-N 3.02Å; V692-K695 PolarHBondContact O-N 2.65Å; K695-Q698 PolarHBondContact O-N 2.97Å; K695-V699 WeakPolarHBondContact O-CG2 3.49Å; K695-V699 PolarHBondContact O-N 3.23Å |
| 696 | A | 92.8 | Very high | 92.9 | Very high | 57 Ų | 57 | 101 Ų | 101 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V692 L693 Q698 V699 E700 | V692-A696 PolarHBondContact O-N 2.81Å; L693-A696 PolarHBondContact O-N 3.25Å; A696-Q698 PolarHBondContact O-N 3.03Å; A696-V699 PolarHBondContact O-N 2.93Å; A696-E700 PolarHBondContact O-N 2.66Å |
| 697 | Q | 92.4 | Very high | 92.9 | Very high | 134 Ų | 134 | 101 Ų | 101 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.5 | -35.7 | 176.6 | -170.3 | 175.9 | 8.7 | 0 | 0 | 112.6 | L693 L694 E700 S701 | L693-Q697 PolarHBondContact O-N 2.84Å; L694-Q697 PolarHBondContact O-N 3.07Å; Q697-E700 PolarHBondContact O-N 3.38Å; Q697-S701 WeakPolarHBondContact O-CB 3.28Å; Q697-S701 PolarHBondContact O-N 3.33Å |
| 698 | Q | 92.8 | Very high | 92.9 | Very high | 101 Ų | 101 | 100.2 Ų | 100.2 | 47% | 0.472 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -48.5 | 173.1 | -179.1 | 179.3 | -20 | 0 | 0 | 111.1 | L694 K695 A696 E700 S701 E702 | L694-Q698 WeakPolarHBondContact O-CB 3.49Å; L694-Q698 PolarHBondContact O-N 3.32Å; K695-Q698 PolarHBondContact O-N 2.97Å; A696-Q698 PolarHBondContact O-N 3.03Å; Q698-E700 VanDerWaalsContact C-N 3.28Å; Q698-E700 PolarHBondContact O-N 2.91Å; Q698-S701 WeakPolarHBondContact O-CB 3.45Å; Q698-S701 PolarHBondContact O-N 3.24Å; Q698-S701 VanDerWaalsContact O-N 3.12Å; Q698-E702 HydrophobicContact CG-CG 4.44Å; Q698-E702 WeakPolarHBondContact CG-OE1 3.45Å; Q698-E702 PolarHBondContact NE2-OE1 2.92Å; Q698-E702 WeakPolarHBondContact O-CG 3.13Å; Q698-E702 PolarHBondContact O-N 3.02Å |
| 699 | V | 93.8 | Very high | 92.8 | Very high | 60 Ų | 60 | 99.4 Ų | 99.4 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -34.7 | 177.8 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | K695 A696 R703 | K695-V699 WeakPolarHBondContact O-CG2 3.49Å; K695-V699 PolarHBondContact O-N 3.23Å; A696-V699 PolarHBondContact O-N 2.93Å; V699-R703 VanDerWaalsContact O-CG 3.27Å; V699-R703 WeakPolarHBondContact O-CG 3.43Å; V699-R703 PolarHBondContact O-N 3.35Å |
| 700 | E | 91.8 | Very high | 92.8 | Very high | 135 Ų | 135 | 100.3 Ų | 100.3 | 63% | 0.631 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.5 | -40.1 | 173.2 | -171 | 167.6 | -147.1 | 0 | 0 | 112 | A696 Q697 Q698 R703 A704 | A696-E700 PolarHBondContact O-N 2.66Å; Q697-E700 PolarHBondContact O-N 3.38Å; Q698-E700 VanDerWaalsContact C-N 3.28Å; Q698-E700 PolarHBondContact O-N 2.91Å; E700-R703 PolarHBondContact O-N 2.74Å; E700-A704 WeakPolarHBondContact O-CB 3.43Å; E700-A704 PolarHBondContact O-N 3.16Å |
| 701 | S | 90.2 | Very high | 92.9 | Very high | 75 Ų | 75 | 100.5 Ų | 100.5 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 173.5 | -169.9 | 0 | 0 | 0 | 0 | 112.8 | Q697 Q698 A704 Q705 | Q697-S701 WeakPolarHBondContact O-CB 3.28Å; Q697-S701 PolarHBondContact O-N 3.33Å; Q698-S701 WeakPolarHBondContact O-CB 3.45Å; Q698-S701 PolarHBondContact O-N 3.24Å; Q698-S701 VanDerWaalsContact O-N 3.12Å; S701-A704 PolarHBondContact O-N 3.04Å; S701-Q705 WeakPolarHBondContact O-CB 3.3Å; S701-Q705 PolarHBondContact O-N 3.38Å |
| 702 | E | 93 | Very high | 92.9 | Very high | 98 Ų | 98 | 104.7 Ų | 104.7 | 46% | 0.458 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.4 | -38.9 | 177.3 | -73.4 | 168.8 | -177.2 | 0 | 0 | 111.4 | Q698 Q705 S706 | Q698-E702 HydrophobicContact CG-CG 4.44Å; Q698-E702 WeakPolarHBondContact CG-OE1 3.45Å; Q698-E702 PolarHBondContact NE2-OE1 2.92Å; Q698-E702 WeakPolarHBondContact O-CG 3.13Å; Q698-E702 PolarHBondContact O-N 3.02Å; E702-Q705 PolarHBondContact O-N 2.94Å; E702-S706 WeakPolarHBondContact O-CB 3.43Å; E702-S706 PolarHBondContact O-N 3.15Å |
| 703 | R | 93.5 | Very high | 92.9 | Very high | 163 Ų | 163 | 104.2 Ų | 104.2 | 62% | 0.615 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.4 | -51.4 | 171.1 | -73.6 | 170.2 | -174.6 | 176.5 | 2.9 | 111.8 | V699 E700 Q705 S706 D707 | V699-R703 VanDerWaalsContact O-CG 3.27Å; V699-R703 WeakPolarHBondContact O-CG 3.43Å; V699-R703 PolarHBondContact O-N 3.35Å; E700-R703 PolarHBondContact O-N 2.74Å; R703-Q705 VanDerWaalsContact C-N 3.25Å; R703-Q705 PolarHBondContact O-N 2.72Å; R703-S706 WeakPolarHBondContact O-CA 3.3Å; R703-S706 WeakPolarHBondContact O-CB 3.47Å; R703-S706 PolarHBondContact O-N 2.64Å; R703-D707 PolarHBondContact O-N 2.85Å |
| 704 | A | 91.2 | Very high | 92.9 | Very high | 46 Ų | 46 | 103.4 Ų | 103.4 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.7 | -36.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E700 S701 I708 | E700-A704 WeakPolarHBondContact O-CB 3.43Å; E700-A704 PolarHBondContact O-N 3.16Å; S701-A704 PolarHBondContact O-N 3.04Å; A704-I708 WeakPolarHBondContact O-CB 3.49Å; A704-I708 WeakPolarHBondContact O-CD1 3.42Å; A704-I708 WeakPolarHBondContact O-CG1 3.29Å; A704-I708 PolarHBondContact O-N 2.97Å |
| 705 | Q | 93.4 | Very high | 92.9 | Very high | 126 Ų | 126 | 102 Ų | 102 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 173.4 | -176.7 | 172.8 | -18.2 | 0 | 0 | 112.1 | S701 E702 R703 I708 E709 | S701-Q705 WeakPolarHBondContact O-CB 3.3Å; S701-Q705 PolarHBondContact O-N 3.38Å; E702-Q705 PolarHBondContact O-N 2.94Å; R703-Q705 VanDerWaalsContact C-N 3.25Å; R703-Q705 PolarHBondContact O-N 2.72Å; Q705-I708 PolarHBondContact O-N 3.2Å; Q705-E709 PolarHBondContact O-N 3.05Å |
| 706 | S | 92.7 | Very high | 92.8 | Very high | 74 Ų | 74 | 104.7 Ų | 104.7 | 52% | 0.517 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 175.5 | -169.4 | 0 | 0 | 0 | 0 | 112.4 | E702 R703 I708 E709 H710 | E702-S706 WeakPolarHBondContact O-CB 3.43Å; E702-S706 PolarHBondContact O-N 3.15Å; R703-S706 WeakPolarHBondContact O-CA 3.3Å; R703-S706 WeakPolarHBondContact O-CB 3.47Å; R703-S706 PolarHBondContact O-N 2.64Å; S706-I708 PolarHBondContact O-N 2.97Å; S706-E709 PolarHBondContact O-N 2.81Å; S706-H710 WeakPolarHBondContact O-CB 3.32Å; S706-H710 PolarHBondContact O-N 3.47Å |
| 707 | D | 93.8 | Very high | 92.9 | Very high | 104 Ų | 104 | 108.4 Ų | 108.4 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62 | -42.9 | 175.7 | -70.8 | -29.8 | 0 | 0 | 0 | 111.4 | R703 H710 L711 | R703-D707 PolarHBondContact O-N 2.85Å; D707-H710 PolarHBondContact O-N 3.17Å; D707-L711 WeakPolarHBondContact O-CB 3.25Å; D707-L711 VanDerWaalsContact O-CG 3.26Å; D707-L711 WeakPolarHBondContact O-CG 3.37Å; D707-L711 PolarHBondContact O-N 3.35Å |
| 708 | I | 91.9 | Very high | 92.8 | Very high | 94 Ų | 94 | 106.4 Ų | 106.4 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 174.7 | -73.2 | 166.1 | 0 | 0 | 0 | 111.1 | A704 Q705 S706 L711 F712 | A704-I708 WeakPolarHBondContact O-CB 3.49Å; A704-I708 WeakPolarHBondContact O-CD1 3.42Å; A704-I708 WeakPolarHBondContact O-CG1 3.29Å; A704-I708 PolarHBondContact O-N 2.97Å; Q705-I708 PolarHBondContact O-N 3.2Å; S706-I708 PolarHBondContact O-N 2.97Å; I708-L711 PolarHBondContact O-N 3.03Å; I708-F712 HydrophobicContact CG2-CD2 3.76Å; I708-F712 HydrophobicContact CG2-CE2 3.62Å; I708-F712 VanDerWaalsContact O-CD2 3.24Å; I708-F712 WeakPolarHBondContact O-CD2 3.32Å; I708-F712 PolarHBondContact O-N 2.9Å |
| 709 | E | 93.2 | Very high | 92.8 | Very high | 111 Ų | 111 | 106.7 Ų | 106.7 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 177.9 | -174.8 | 167.7 | -177 | 0 | 0 | 111.9 | Q705 S706 L711 F712 Q713 | Q705-E709 PolarHBondContact O-N 3.05Å; S706-E709 PolarHBondContact O-N 2.81Å; E709-L711 VanDerWaalsContact C-N 3.33Å; E709-L711 PolarHBondContact O-N 3.12Å; E709-F712 PolarHBondContact O-N 3.25Å; E709-Q713 WeakPolarHBondContact O-CG 3.3Å; E709-Q713 PolarHBondContact O-N 3.43Å |
| 710 | H | 94.2 | Very high | 92.8 | Very high | 118 Ų | 118 | 106.5 Ų | 106.5 | 55% | 0.546 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -38.9 | 175 | -173.8 | -103.8 | 0 | 0 | 0 | 111.9 | S706 D707 Q713 H714 | S706-H710 WeakPolarHBondContact O-CB 3.32Å; S706-H710 PolarHBondContact O-N 3.47Å; D707-H710 PolarHBondContact O-N 3.17Å; H710-Q713 PolarHBondContact O-N 2.99Å; H710-H714 WeakPolarHBondContact O-CB 3.32Å; H710-H714 PolarHBondContact O-N 3.02Å |
| 711 | L | 93.4 | Very high | 92.8 | Very high | 115 Ų | 115 | 104 Ų | 104 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.5 | -41 | 172.5 | -75.1 | 168.8 | 0 | 0 | 0 | 112.3 | D707 I708 E709 H714 N715 | D707-L711 WeakPolarHBondContact O-CB 3.25Å; D707-L711 VanDerWaalsContact O-CG 3.26Å; D707-L711 WeakPolarHBondContact O-CG 3.37Å; D707-L711 PolarHBondContact O-N 3.35Å; I708-L711 PolarHBondContact O-N 3.03Å; E709-L711 VanDerWaalsContact C-N 3.33Å; E709-L711 PolarHBondContact O-N 3.12Å; L711-H714 PolarHBondContact O-N 3.42Å; L711-N715 WeakPolarHBondContact O-CB 3.33Å; L711-N715 PolarHBondContact O-N 2.95Å |
| 712 | F | 93.1 | Very high | 92.9 | Very high | 136 Ų | 136 | 103.3 Ų | 103.3 | 60% | 0.596 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.2 | -41.4 | 173.5 | -84.8 | -63.7 | 0 | 0 | 0 | 112.5 | I708 E709 N715 R716 | I708-F712 HydrophobicContact CG2-CD2 3.76Å; I708-F712 HydrophobicContact CG2-CE2 3.62Å; I708-F712 VanDerWaalsContact O-CD2 3.24Å; I708-F712 WeakPolarHBondContact O-CD2 3.32Å; I708-F712 PolarHBondContact O-N 2.9Å; E709-F712 PolarHBondContact O-N 3.25Å; F712-N715 PolarHBondContact O-N 2.96Å; F712-R716 PolarHBondContact O-N 3.26Å; F712-R716 VanDerWaalsContact O-N 3.08Å |
| 713 | Q | 93.7 | Very high | 92.9 | Very high | 88 Ų | 88 | 104.9 Ų | 104.9 | 41% | 0.411 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -40 | 175.3 | -68.6 | -178.9 | 22.9 | 0 | 0 | 111.8 | E709 H710 K717 | E709-Q713 WeakPolarHBondContact O-CG 3.3Å; E709-Q713 PolarHBondContact O-N 3.43Å; H710-Q713 PolarHBondContact O-N 2.99Å; Q713-K717 WeakPolarHBondContact O-CG 3.45Å; Q713-K717 PolarHBondContact O-N 2.66Å |
| 714 | H | 93.7 | Very high | 92.9 | Very high | 99 Ų | 99 | 102.9 Ų | 102.9 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 174.7 | -174.2 | -90.2 | 0 | 0 | 0 | 111.8 | H710 L711 K717 L718 | H710-H714 WeakPolarHBondContact O-CB 3.32Å; H710-H714 PolarHBondContact O-N 3.02Å; L711-H714 PolarHBondContact O-N 3.42Å; H714-K717 WeakPolarHBondContact O-CB 3.22Å; H714-K717 PolarHBondContact O-N 2.98Å; H714-L718 PolarHBondContact O-N 2.94Å |
| 715 | N | 91.9 | Very high | 92.9 | Very high | 83 Ų | 83 | 106.4 Ų | 106.4 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 178.6 | -153.5 | 14.2 | 0 | 0 | 0 | 111.5 | L711 F712 K717 L718 E719 | L711-N715 WeakPolarHBondContact O-CB 3.33Å; L711-N715 PolarHBondContact O-N 2.95Å; F712-N715 PolarHBondContact O-N 2.96Å; N715-K717 VanDerWaalsContact C-N 3.28Å; N715-K717 PolarHBondContact O-N 3.21Å; N715-L718 WeakPolarHBondContact O-CA 3.32Å; N715-L718 WeakPolarHBondContact O-CB 3.19Å; N715-L718 PolarHBondContact O-N 3.15Å; N715-E719 WeakPolarHBondContact O-CG 3.4Å; N715-E719 PolarHBondContact O-N 3.38Å |
| 716 | R | 93.1 | Very high | 93 | Very high | 181 Ų | 181 | 105.6 Ų | 105.6 | 68% | 0.683 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.2 | -35.2 | 172.4 | -73.2 | -179.7 | -179.9 | 168.7 | 2.5 | 113.7 | F712 E719 S720 | F712-R716 PolarHBondContact O-N 3.26Å; F712-R716 VanDerWaalsContact O-N 3.08Å; R716-E719 WeakPolarHBondContact CA-OE2 3.36Å; R716-E719 PolarHBondContact O-N 2.88Å; R716-S720 PolarHBondContact O-N 3.03Å |
| 717 | K | 93.3 | Very high | 93 | Very high | 135 Ų | 135 | 107.2 Ų | 107.2 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.2 | -40.3 | 173.8 | -71 | 173 | -178.1 | 178.2 | 0 | 111.3 | Q713 H714 N715 S720 V721 | Q713-K717 WeakPolarHBondContact O-CG 3.45Å; Q713-K717 PolarHBondContact O-N 2.66Å; H714-K717 WeakPolarHBondContact O-CB 3.22Å; H714-K717 PolarHBondContact O-N 2.98Å; N715-K717 VanDerWaalsContact C-N 3.28Å; N715-K717 PolarHBondContact O-N 3.21Å; K717-S720 PolarHBondContact O-N 3.04Å; K717-V721 VanDerWaalsContact O-CG2 3.31Å; K717-V721 WeakPolarHBondContact O-CG2 3.41Å; K717-V721 PolarHBondContact O-N 3.43Å |
| 718 | L | 92.1 | Very high | 93.1 | Very high | 93 Ų | 93 | 107.7 Ų | 107.7 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -39.6 | 173.6 | -68 | 176.7 | 0 | 0 | 0 | 112.5 | H714 N715 V721 A722 | H714-L718 PolarHBondContact O-N 2.94Å; N715-L718 WeakPolarHBondContact O-CA 3.32Å; N715-L718 WeakPolarHBondContact O-CB 3.19Å; N715-L718 PolarHBondContact O-N 3.15Å; L718-V721 PolarHBondContact O-N 3.09Å; L718-A722 WeakPolarHBondContact O-CB 3.1Å; L718-A722 PolarHBondContact O-N 3.08Å |
| 719 | E | 92.1 | Very high | 93.2 | Very high | 107 Ų | 107 | 106.3 Ų | 106.3 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.9 | -49.9 | 174.3 | -70.4 | 170 | 151.8 | 0 | 0 | 110.9 | N715 R716 V721 A722 E723 | N715-E719 WeakPolarHBondContact O-CG 3.4Å; N715-E719 PolarHBondContact O-N 3.38Å; R716-E719 WeakPolarHBondContact CA-OE2 3.36Å; R716-E719 PolarHBondContact O-N 2.88Å; E719-V721 PolarHBondContact O-N 3.28Å; E719-A722 WeakPolarHBondContact O-CB 3.45Å; E719-A722 PolarHBondContact O-N 2.62Å; E719-A722 VanDerWaalsContact O-N 3.13Å; E719-E723 PolarHBondContact O-N 3.42Å |
| 720 | S | 92.9 | Very high | 93.2 | Very high | 56 Ų | 56 | 105.7 Ų | 105.7 | 39% | 0.392 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | 175.7 | -166.3 | 0 | 0 | 0 | 0 | 112.5 | R716 K717 A722 E723 E724 | R716-S720 PolarHBondContact O-N 3.03Å; K717-S720 PolarHBondContact O-N 3.04Å; S720-A722 VanDerWaalsContact C-N 3.31Å; S720-A722 PolarHBondContact O-N 2.91Å; S720-E723 PolarHBondContact O-N 2.96Å; S720-E724 WeakPolarHBondContact O-CG 3.45Å; S720-E724 PolarHBondContact O-N 3.45Å |
| 721 | V | 93.1 | Very high | 93.1 | Very high | 83 Ų | 83 | 103 Ų | 103 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -34.3 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | K717 L718 E719 H725 | K717-V721 VanDerWaalsContact O-CG2 3.31Å; K717-V721 WeakPolarHBondContact O-CG2 3.41Å; K717-V721 PolarHBondContact O-N 3.43Å; L718-V721 PolarHBondContact O-N 3.09Å; E719-V721 PolarHBondContact O-N 3.28Å; V721-H725 VanDerWaalsContact O-CB 3.29Å; V721-H725 WeakPolarHBondContact O-CB 3.47Å; V721-H725 PolarHBondContact O-N 2.99Å |
| 722 | A | 91 | Very high | 93.1 | Very high | 60 Ų | 60 | 104.9 Ų | 104.9 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.5 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L718 E719 S720 H725 E726 | L718-A722 WeakPolarHBondContact O-CB 3.1Å; L718-A722 PolarHBondContact O-N 3.08Å; E719-A722 WeakPolarHBondContact O-CB 3.45Å; E719-A722 PolarHBondContact O-N 2.62Å; E719-A722 VanDerWaalsContact O-N 3.13Å; S720-A722 VanDerWaalsContact C-N 3.31Å; S720-A722 PolarHBondContact O-N 2.91Å; A722-H725 PolarHBondContact O-N 2.87Å; A722-E726 PolarHBondContact O-N 3.15Å |
| 723 | E | 93.4 | Very high | 93.1 | Very high | 131 Ų | 131 | 104.2 Ų | 104.2 | 61% | 0.612 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.2 | -46.6 | 173.8 | -70.7 | -173.7 | 177.3 | 0 | 0 | 111.7 | E719 S720 H725 E726 I727 | E719-E723 PolarHBondContact O-N 3.42Å; S720-E723 PolarHBondContact O-N 2.96Å; E723-H725 VanDerWaalsContact C-N 3.31Å; E723-H725 PolarHBondContact O-N 2.91Å; E723-E726 PolarHBondContact O-N 2.9Å; E723-I727 WeakPolarHBondContact O-CG1 3.29Å; E723-I727 PolarHBondContact O-N 3.45Å |
| 724 | E | 93.2 | Very high | 93.1 | Very high | 121 Ų | 121 | 106.3 Ų | 106.3 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.5 | -43.4 | 173.5 | -76.1 | 175.1 | -152.9 | 0 | 0 | 111.7 | S720 E726 I727 L728 | S720-E724 WeakPolarHBondContact O-CG 3.45Å; S720-E724 PolarHBondContact O-N 3.45Å; E724-E726 PolarHBondContact O-N 3.3Å; E724-I727 PolarHBondContact O-N 2.69Å; E724-L728 VanDerWaalsContact O-CB 3.31Å; E724-L728 WeakPolarHBondContact O-CB 3.37Å; E724-L728 PolarHBondContact O-N 2.93Å |
| 725 | H | 92.7 | Very high | 93.1 | Very high | 119 Ų | 119 | 107 Ų | 107 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.1 | -31.5 | 179.1 | -149.9 | -52.6 | 0 | 0 | 0 | 112.4 | V721 A722 E723 T729 | V721-H725 VanDerWaalsContact O-CB 3.29Å; V721-H725 WeakPolarHBondContact O-CB 3.47Å; V721-H725 PolarHBondContact O-N 2.99Å; A722-H725 PolarHBondContact O-N 2.87Å; E723-H725 VanDerWaalsContact C-N 3.31Å; E723-H725 PolarHBondContact O-N 2.91Å; H725-T729 WeakPolarHBondContact O-CB 3.31Å; H725-T729 PolarHBondContact O-N 3.21Å; H725-T729 PolarHBondContact O-OG1 3.14Å |
| 726 | E | 93.9 | Very high | 93.1 | Very high | 109 Ų | 109 | 106.9 Ų | 106.9 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.1 | -44.1 | 172.3 | -160.4 | -164.7 | 145.7 | 0 | 0 | 111.3 | A722 E723 E724 T729 K730 | A722-E726 PolarHBondContact O-N 3.15Å; E723-E726 PolarHBondContact O-N 2.9Å; E724-E726 PolarHBondContact O-N 3.3Å; E726-T729 PolarHBondContact O-N 3Å; E726-K730 WeakPolarHBondContact O-CG 3.47Å; E726-K730 PolarHBondContact O-N 2.97Å; E726-K730 WeakPolarHBondContact OE1-CE 3.24Å; E726-K730 IonicContact OE1-NZ 2.73Å; E726-K730 PolarHBondContact OE1-NZ 2.9Å |
| 727 | I | 94.5 | Very high | 93.2 | Very high | 109 Ų | 109 | 105 Ų | 105 | 56% | 0.559 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.1 | -46.7 | 175.8 | -67.7 | 164.2 | 0 | 0 | 0 | 110.5 | E723 E724 T729 K730 S731 | E723-I727 WeakPolarHBondContact O-CG1 3.29Å; E723-I727 PolarHBondContact O-N 3.45Å; E724-I727 PolarHBondContact O-N 2.69Å; I727-T729 VanDerWaalsContact C-N 3.32Å; I727-T729 PolarHBondContact O-N 3.24Å; I727-K730 PolarHBondContact O-N 3.4Å; I727-S731 PolarHBondContact O-N 3.2Å |
| 728 | L | 94.3 | Very high | 93.2 | Very high | 114 Ų | 114 | 107.8 Ų | 107.8 | 60% | 0.597 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.8 | -38.8 | 177.1 | -176.2 | 61.4 | 0 | 0 | 0 | 111.8 | E724 S731 Y732 | E724-L728 VanDerWaalsContact O-CB 3.31Å; E724-L728 WeakPolarHBondContact O-CB 3.37Å; E724-L728 PolarHBondContact O-N 2.93Å; L728-S731 PolarHBondContact O-N 3Å; L728-Y732 WeakPolarHBondContact O-CB 3.25Å; L728-Y732 PolarHBondContact O-N 3.33Å |
| 729 | T | 94.2 | Very high | 93.1 | Very high | 65 Ų | 65 | 108.1 Ų | 108.1 | 40% | 0.399 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.4 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | H725 E726 I727 Y732 M733 | H725-T729 WeakPolarHBondContact O-CB 3.31Å; H725-T729 PolarHBondContact O-N 3.21Å; H725-T729 PolarHBondContact O-OG1 3.14Å; E726-T729 PolarHBondContact O-N 3Å; I727-T729 VanDerWaalsContact C-N 3.32Å; I727-T729 PolarHBondContact O-N 3.24Å; T729-Y732 PolarHBondContact O-N 2.92Å; T729-M733 WeakPolarHBondContact O-CG 3.43Å; T729-M733 PolarHBondContact O-N 3.26Å |
| 730 | K | 94 | Very high | 93.1 | Very high | 98 Ų | 98 | 107.3 Ų | 107.3 | 43% | 0.426 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 173.9 | -70.4 | 163.8 | -175.5 | 163.4 | 0 | 111.1 | E726 I727 Y732 M733 E734 | E726-K730 WeakPolarHBondContact O-CG 3.47Å; E726-K730 PolarHBondContact O-N 2.97Å; E726-K730 WeakPolarHBondContact OE1-CE 3.24Å; E726-K730 IonicContact OE1-NZ 2.73Å; E726-K730 PolarHBondContact OE1-NZ 2.9Å; I727-K730 PolarHBondContact O-N 3.4Å; K730-Y732 VanDerWaalsContact C-N 3.32Å; K730-Y732 PolarHBondContact O-N 3.05Å; K730-M733 PolarHBondContact O-N 2.83Å; K730-M733 VanDerWaalsContact O-N 3.17Å; K730-E734 PolarHBondContact O-N 3.33Å |
| 731 | S | 92.6 | Very high | 93.1 | Very high | 61 Ų | 61 | 107 Ų | 107 | 43% | 0.427 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 178 | -170.1 | 0 | 0 | 0 | 0 | 112.4 | I727 L728 E734 L735 | I727-S731 PolarHBondContact O-N 3.2Å; L728-S731 PolarHBondContact O-N 3Å; S731-E734 PolarHBondContact O-N 3.22Å; S731-L735 WeakPolarHBondContact O-CB 3.32Å; S731-L735 PolarHBondContact O-N 3.29Å |
| 732 | Y | 92.4 | Very high | 92.9 | Very high | 154 Ų | 154 | 105.9 Ų | 105.9 | 60% | 0.604 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.8 | -42.9 | 174.9 | 179.7 | -97.4 | 0 | 0 | 0 | 112.4 | L728 T729 K730 L735 L736 | L728-Y732 WeakPolarHBondContact O-CB 3.25Å; L728-Y732 PolarHBondContact O-N 3.33Å; T729-Y732 PolarHBondContact O-N 2.92Å; K730-Y732 VanDerWaalsContact C-N 3.32Å; K730-Y732 PolarHBondContact O-N 3.05Å; Y732-L735 PolarHBondContact O-N 2.83Å; Y732-L736 WeakPolarHBondContact O-CB 3.32Å; Y732-L736 PolarHBondContact O-N 3.42Å |
| 733 | M | 93.8 | Very high | 92.9 | Very high | 122 Ų | 122 | 107.4 Ų | 107.4 | 60% | 0.601 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -41.8 | 175.9 | -68.4 | -158.2 | -52.5 | 0 | 0 | 112.8 | T729 K730 L735 L736 Q737 | T729-M733 WeakPolarHBondContact O-CG 3.43Å; T729-M733 PolarHBondContact O-N 3.26Å; K730-M733 PolarHBondContact O-N 2.83Å; K730-M733 VanDerWaalsContact O-N 3.17Å; M733-L735 VanDerWaalsContact C-N 3.31Å; M733-L735 PolarHBondContact O-N 2.99Å; M733-L736 PolarHBondContact O-N 3.44Å; M733-Q737 WeakPolarHBondContact O-CB 3.49Å; M733-Q737 PolarHBondContact O-N 3.4Å |
| 734 | E | 93.7 | Very high | 92.9 | Very high | 132 Ų | 132 | 106.5 Ų | 106.5 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 175.1 | -70 | 177.8 | -176.9 | 0 | 0 | 111.5 | K730 S731 Q737 R738 | K730-E734 PolarHBondContact O-N 3.33Å; S731-E734 PolarHBondContact O-N 3.22Å; E734-Q737 PolarHBondContact O-N 3.32Å; E734-R738 WeakPolarHBondContact O-CB 3.4Å; E734-R738 PolarHBondContact O-N 2.99Å |
| 735 | L | 92.1 | Very high | 92.9 | Very high | 115 Ų | 115 | 106.3 Ų | 106.3 | 60% | 0.602 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70 | -37.5 | 179.4 | -153.5 | 156.1 | 0 | 0 | 0 | 111.4 | S731 Y732 M733 R738 N739 | S731-L735 WeakPolarHBondContact O-CB 3.32Å; S731-L735 PolarHBondContact O-N 3.29Å; Y732-L735 PolarHBondContact O-N 2.83Å; M733-L735 VanDerWaalsContact C-N 3.31Å; M733-L735 PolarHBondContact O-N 2.99Å; L735-R738 PolarHBondContact O-N 2.9Å; L735-N739 WeakPolarHBondContact O-CB 3.32Å; L735-N739 PolarHBondContact O-N 3.49Å |
| 736 | L | 93.3 | Very high | 92.7 | Very high | 79 Ų | 79 | 105.6 Ų | 105.6 | 41% | 0.414 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -50.1 | 171.2 | -167.4 | 87.7 | 0 | 0 | 0 | 111.5 | Y732 M733 R738 N739 E740 | Y732-L736 WeakPolarHBondContact O-CB 3.32Å; Y732-L736 PolarHBondContact O-N 3.42Å; M733-L736 PolarHBondContact O-N 3.44Å; L736-R738 VanDerWaalsContact C-N 3.3Å; L736-R738 PolarHBondContact O-N 2.73Å; L736-N739 WeakPolarHBondContact O-CB 3.33Å; L736-N739 PolarHBondContact O-N 3.44Å; L736-N739 VanDerWaalsContact O-N 3.08Å; L736-E740 PolarHBondContact O-N 3.48Å |
| 737 | Q | 94.1 | Very high | 92.7 | Very high | 143 Ų | 143 | 105.4 Ų | 105.4 | 67% | 0.668 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -38.1 | 178.5 | -169 | -174.1 | 34.4 | 0 | 0 | 111.7 | M733 E734 S741 | M733-Q737 WeakPolarHBondContact O-CB 3.49Å; M733-Q737 PolarHBondContact O-N 3.4Å; E734-Q737 PolarHBondContact O-N 3.32Å; Q737-S741 PolarHBondContact O-N 3.46Å; Q737-S741 VanDerWaalsContact O-N 3.08Å |
| 738 | R | 93.7 | Very high | 92.5 | Very high | 193 Ų | 193 | 104.9 Ų | 104.9 | 73% | 0.728 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 172.8 | -170.1 | 179.2 | -173.8 | 117.5 | -1.8 | 111.4 | E734 L735 L736 S741 T742 | E734-R738 WeakPolarHBondContact O-CB 3.4Å; E734-R738 PolarHBondContact O-N 2.99Å; L735-R738 PolarHBondContact O-N 2.9Å; L736-R738 VanDerWaalsContact C-N 3.3Å; L736-R738 PolarHBondContact O-N 2.73Å; R738-S741 WeakPolarHBondContact O-CB 3.3Å; R738-S741 PolarHBondContact O-N 3.18Å; R738-T742 PolarHBondContact O-N 3.38Å; R738-T742 PolarHBondContact O-OG1 3.25Å |
| 739 | N | 89.6 | Confident | 92.3 | Very high | 99 Ų | 99 | 104.3 Ų | 104.3 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -45.2 | 178 | -169.6 | 32.6 | 0 | 0 | 0 | 111.8 | L735 L736 S741 T742 E743 | L735-N739 WeakPolarHBondContact O-CB 3.32Å; L735-N739 PolarHBondContact O-N 3.49Å; L736-N739 WeakPolarHBondContact O-CB 3.33Å; L736-N739 PolarHBondContact O-N 3.44Å; L736-N739 VanDerWaalsContact O-N 3.08Å; N739-S741 VanDerWaalsContact C-N 3.28Å; N739-S741 PolarHBondContact O-N 2.69Å; N739-T742 WeakPolarHBondContact CA-OG1 3.45Å; N739-T742 PolarHBondContact O-N 3.49Å; N739-T742 VanDerWaalsContact O-N 3.16Å; N739-T742 PolarHBondContact O-OG1 3.43Å; N739-E743 WeakPolarHBondContact O-CB 3.43Å; N739-E743 PolarHBondContact O-N 3.34Å |
| 740 | E | 93.4 | Very high | 92.3 | Very high | 91 Ų | 91 | 106.2 Ų | 106.2 | 43% | 0.425 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.2 | -40.7 | 171.8 | -75.2 | -167.5 | -160 | 0 | 0 | 112.5 | L736 T742 E743 K744 | L736-E740 PolarHBondContact O-N 3.48Å; E740-T742 VanDerWaalsContact C-N 3.33Å; E740-T742 PolarHBondContact O-N 2.98Å; E740-E743 PolarHBondContact O-N 3.43Å; E740-K744 WeakPolarHBondContact O-CB 3.4Å; E740-K744 WeakPolarHBondContact O-CD 3.27Å; E740-K744 WeakPolarHBondContact O-CG 3.26Å; E740-K744 PolarHBondContact O-N 3.47Å; E740-K744 IonicContact OE2-NZ 3.62Å; E740-K744 PolarHBondContact OE2-NZ 2.88Å |
| 741 | S | 91.7 | Very high | 92.2 | Very high | 49 Ų | 49 | 106.9 Ų | 106.9 | 34% | 0.343 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 177.5 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | Q737 R738 N739 K745 | Q737-S741 PolarHBondContact O-N 3.46Å; Q737-S741 VanDerWaalsContact O-N 3.08Å; R738-S741 WeakPolarHBondContact O-CB 3.3Å; R738-S741 PolarHBondContact O-N 3.18Å; N739-S741 VanDerWaalsContact C-N 3.28Å; N739-S741 PolarHBondContact O-N 2.69Å; S741-K745 WeakPolarHBondContact O-CD 3.3Å; S741-K745 VanDerWaalsContact O-CG 3.29Å; S741-K745 WeakPolarHBondContact O-CG 3.33Å; S741-K745 PolarHBondContact O-N 3.35Å; S741-K745 PolarHBondContact OG-NZ 3.41Å |
| 742 | T | 88.9 | Confident | 92 | Very high | 59 Ų | 59 | 107.9 Ų | 107.9 | 36% | 0.362 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.3 | -35.1 | 174.1 | 42.2 | 0 | 0 | 0 | 0 | 113.1 | R738 N739 E740 K745 N746 | R738-T742 PolarHBondContact O-N 3.38Å; R738-T742 PolarHBondContact O-OG1 3.25Å; N739-T742 WeakPolarHBondContact CA-OG1 3.45Å; N739-T742 PolarHBondContact O-N 3.49Å; N739-T742 VanDerWaalsContact O-N 3.16Å; N739-T742 PolarHBondContact O-OG1 3.43Å; E740-T742 VanDerWaalsContact C-N 3.33Å; E740-T742 PolarHBondContact O-N 2.98Å; T742-K745 PolarHBondContact O-N 2.81Å; T742-N746 WeakPolarHBondContact O-CB 3.42Å; T742-N746 VanDerWaalsContact O-CG 3.3Å; T742-N746 PolarHBondContact O-N 2.9Å |
| 743 | E | 92.2 | Very high | 91.8 | Very high | 92 Ų | 92 | 103.5 Ų | 103.5 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 177 | -158 | -150.7 | 175.4 | 0 | 0 | 111.4 | N739 E740 N746 K747 | N739-E743 WeakPolarHBondContact O-CB 3.43Å; N739-E743 PolarHBondContact O-N 3.34Å; E740-E743 PolarHBondContact O-N 3.43Å; E743-N746 PolarHBondContact O-N 3.3Å; E743-K747 WeakPolarHBondContact O-CG 3.3Å; E743-K747 PolarHBondContact O-N 3Å; E743-K747 WeakPolarHBondContact OE1-CE 3.24Å; E743-K747 IonicContact OE1-NZ 3.2Å; E743-K747 PolarHBondContact OE1-NZ 2.98Å; E743-K747 IonicContact OE2-NZ 2.69Å; E743-K747 PolarHBondContact OE2-NZ 3.26Å |
| 744 | K | 93.1 | Very high | 91.7 | Very high | 113 Ų | 113 | 100.9 Ų | 100.9 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.5 | -50.9 | 171.7 | -74.1 | 160.4 | -177.3 | 153.7 | 0 | 110.8 | E740 N746 K747 D748 | E740-K744 WeakPolarHBondContact O-CB 3.4Å; E740-K744 WeakPolarHBondContact O-CD 3.27Å; E740-K744 WeakPolarHBondContact O-CG 3.26Å; E740-K744 PolarHBondContact O-N 3.47Å; E740-K744 IonicContact OE2-NZ 3.62Å; E740-K744 PolarHBondContact OE2-NZ 2.88Å; K744-N746 VanDerWaalsContact C-N 3.31Å; K744-N746 PolarHBondContact O-N 3.47Å; K744-K747 WeakPolarHBondContact O-CB 3.48Å; K744-K747 PolarHBondContact O-N 3.1Å; K744-K747 VanDerWaalsContact O-N 3.08Å; K744-D748 VanDerWaalsContact O-CG 3.3Å; K744-D748 PolarHBondContact O-N 2.91Å |
| 745 | K | 92.5 | Very high | 91.6 | Very high | 116 Ų | 116 | 98.2 Ų | 98.2 | 50% | 0.504 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -37.8 | 176 | -70.7 | 164.5 | -174.6 | 163.6 | 0 | 113.3 | S741 T742 D748 L749 | S741-K745 WeakPolarHBondContact O-CD 3.3Å; S741-K745 VanDerWaalsContact O-CG 3.29Å; S741-K745 WeakPolarHBondContact O-CG 3.33Å; S741-K745 PolarHBondContact O-N 3.35Å; S741-K745 PolarHBondContact OG-NZ 3.41Å; T742-K745 PolarHBondContact O-N 2.81Å; K745-D748 PolarHBondContact O-N 3.32Å; K745-L749 WeakPolarHBondContact O-CB 3.16Å; K745-L749 VanDerWaalsContact O-CG 3.28Å; K745-L749 WeakPolarHBondContact O-CG 3.5Å; K745-L749 PolarHBondContact O-N 3.04Å |
| 746 | N | 88.9 | Confident | 91.5 | Very high | 104 Ų | 104 | 98.1 Ų | 98.1 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.4 | -36.6 | 176 | -74.7 | -9.8 | 0 | 0 | 0 | 112.1 | T742 E743 K744 L749 Q750 | T742-N746 WeakPolarHBondContact O-CB 3.42Å; T742-N746 VanDerWaalsContact O-CG 3.3Å; T742-N746 PolarHBondContact O-N 2.9Å; E743-N746 PolarHBondContact O-N 3.3Å; K744-N746 VanDerWaalsContact C-N 3.31Å; K744-N746 PolarHBondContact O-N 3.47Å; N746-L749 PolarHBondContact O-N 3.29Å; N746-Q750 WeakPolarHBondContact O-CB 3.12Å; N746-Q750 PolarHBondContact O-N 3.45Å |
| 747 | K | 92.9 | Very high | 91.3 | Very high | 105 Ų | 105 | 98.8 Ų | 98.8 | 46% | 0.457 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 173 | -71.2 | 165.8 | -176.7 | 167.4 | 0 | 111.4 | E743 K744 Q750 I751 | E743-K747 WeakPolarHBondContact O-CG 3.3Å; E743-K747 PolarHBondContact O-N 3Å; E743-K747 WeakPolarHBondContact OE1-CE 3.24Å; E743-K747 IonicContact OE1-NZ 3.2Å; E743-K747 PolarHBondContact OE1-NZ 2.98Å; E743-K747 IonicContact OE2-NZ 2.69Å; E743-K747 PolarHBondContact OE2-NZ 3.26Å; K744-K747 WeakPolarHBondContact O-CB 3.48Å; K744-K747 PolarHBondContact O-N 3.1Å; K744-K747 VanDerWaalsContact O-N 3.08Å; K747-Q750 PolarHBondContact O-N 2.89Å; K747-I751 VanDerWaalsContact O-CG1 3.31Å; K747-I751 WeakPolarHBondContact O-CG1 3.5Å; K747-I751 PolarHBondContact O-N 2.83Å |
| 748 | D | 91.5 | Very high | 91.3 | Very high | 98 Ų | 98 | 98.9 Ų | 98.9 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -46.2 | 174.7 | -61.3 | -34.1 | 0 | 0 | 0 | 111.2 | K744 K745 I751 T752 | K744-D748 VanDerWaalsContact O-CG 3.3Å; K744-D748 PolarHBondContact O-N 2.91Å; K745-D748 PolarHBondContact O-N 3.32Å; D748-I751 PolarHBondContact O-N 2.82Å; D748-T752 PolarHBondContact O-N 3.34Å |
| 749 | L | 90.5 | Very high | 91 | Very high | 102 Ų | 102 | 95.9 Ų | 95.9 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 175.7 | -75.7 | 169.7 | 0 | 0 | 0 | 111.9 | K745 N746 I751 T752 C753 | K745-L749 WeakPolarHBondContact O-CB 3.16Å; K745-L749 VanDerWaalsContact O-CG 3.28Å; K745-L749 WeakPolarHBondContact O-CG 3.5Å; K745-L749 PolarHBondContact O-N 3.04Å; N746-L749 PolarHBondContact O-N 3.29Å; L749-I751 VanDerWaalsContact C-N 3.32Å; L749-I751 PolarHBondContact O-N 3.12Å; L749-T752 PolarHBondContact O-N 3.33Å; L749-T752 VanDerWaalsContact O-N 3.08Å; L749-T752 PolarHBondContact O-OG1 3.18Å; L749-C753 PolarHBondContact O-N 2.92Å; L749-C753 PolarHBondContact O-SG 2.92Å |
| 750 | Q | 92.4 | Very high | 91.1 | Very high | 106 Ų | 106 | 94.8 Ų | 94.8 | 50% | 0.495 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 175.8 | -175.7 | 62.5 | 47.6 | 0 | 0 | 111.6 | N746 K747 T752 C753 D754 | N746-Q750 WeakPolarHBondContact O-CB 3.12Å; N746-Q750 PolarHBondContact O-N 3.45Å; K747-Q750 PolarHBondContact O-N 2.89Å; Q750-T752 VanDerWaalsContact C-N 3.3Å; Q750-T752 PolarHBondContact O-N 3.26Å; Q750-C753 PolarHBondContact O-N 3.44Å; Q750-C753 VanDerWaalsContact O-N 3.15Å; Q750-D754 PolarHBondContact NE2-OD1 2.71Å; Q750-D754 PolarHBondContact NE2-OD2 2.98Å; Q750-D754 VanDerWaalsContact O-CG 3.29Å; Q750-D754 PolarHBondContact O-N 2.89Å |
| 751 | I | 92.8 | Very high | 90.9 | Very high | 112 Ų | 112 | 95.5 Ų | 95.5 | 57% | 0.574 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.7 | -40.5 | 176.1 | -68 | 162.9 | 0 | 0 | 0 | 111 | K747 D748 L749 S755 | K747-I751 VanDerWaalsContact O-CG1 3.31Å; K747-I751 WeakPolarHBondContact O-CG1 3.5Å; K747-I751 PolarHBondContact O-N 2.83Å; D748-I751 PolarHBondContact O-N 2.82Å; L749-I751 VanDerWaalsContact C-N 3.32Å; L749-I751 PolarHBondContact O-N 3.12Å; I751-S755 WeakPolarHBondContact O-CB 3.09Å; I751-S755 PolarHBondContact O-N 2.9Å |
| 752 | T | 89.5 | Confident | 90.8 | Very high | 82 Ų | 82 | 96.4 Ų | 96.4 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 174.9 | 63.8 | 0 | 0 | 0 | 0 | 113 | D748 L749 Q750 S755 L756 | D748-T752 PolarHBondContact O-N 3.34Å; L749-T752 PolarHBondContact O-N 3.33Å; L749-T752 VanDerWaalsContact O-N 3.08Å; L749-T752 PolarHBondContact O-OG1 3.18Å; Q750-T752 VanDerWaalsContact C-N 3.3Å; Q750-T752 PolarHBondContact O-N 3.26Å; T752-S755 PolarHBondContact O-N 3.07Å; T752-L756 WeakPolarHBondContact O-CB 3.46Å; T752-L756 PolarHBondContact O-N 2.88Å |
| 753 | C | 87.8 | Confident | 90.8 | Very high | 62 Ų | 62 | 97.6 Ų | 97.6 | 42% | 0.419 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 174.4 | -69.7 | 0 | 0 | 0 | 0 | 112.1 | L749 Q750 S755 L756 N757 | L749-C753 PolarHBondContact O-N 2.92Å; L749-C753 PolarHBondContact O-SG 2.92Å; Q750-C753 PolarHBondContact O-N 3.44Å; Q750-C753 VanDerWaalsContact O-N 3.15Å; C753-S755 VanDerWaalsContact C-N 3.32Å; C753-S755 PolarHBondContact O-N 2.96Å; C753-L756 PolarHBondContact O-N 3.46Å; C753-N757 WeakPolarHBondContact O-CB 3.4Å; C753-N757 PolarHBondContact O-N 3.36Å; C753-N757 PolarHBondContact O-ND2 2.67Å |
| 754 | D | 91.4 | Very high | 90.7 | Very high | 66 Ų | 66 | 99 Ų | 99 | 35% | 0.353 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.9 | -35.9 | 177.3 | -67 | -20.2 | 0 | 0 | 0 | 111.9 | Q750 K758 | Q750-D754 PolarHBondContact NE2-OD1 2.71Å; Q750-D754 PolarHBondContact NE2-OD2 2.98Å; Q750-D754 VanDerWaalsContact O-CG 3.29Å; Q750-D754 PolarHBondContact O-N 2.89Å; D754-K758 WeakPolarHBondContact O-CG 3.45Å; D754-K758 PolarHBondContact O-N 3.07Å; D754-K758 VanDerWaalsContact O-N 3.14Å |
| 755 | S | 92 | Very high | 90.6 | Very high | 77 Ų | 77 | 99.5 Ų | 99.5 | 54% | 0.538 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 171.9 | -168.9 | 0 | 0 | 0 | 0 | 111.7 | I751 T752 C753 N757 K758 H759 | I751-S755 WeakPolarHBondContact O-CB 3.09Å; I751-S755 PolarHBondContact O-N 2.9Å; T752-S755 PolarHBondContact O-N 3.07Å; C753-S755 VanDerWaalsContact C-N 3.32Å; C753-S755 PolarHBondContact O-N 2.96Å; S755-N757 PolarHBondContact O-N 2.88Å; S755-K758 PolarHBondContact O-N 3.01Å; S755-H759 PolarHBondContact O-N 3.19Å |
| 756 | L | 90.1 | Very high | 90.4 | Very high | 113 Ų | 113 | 99.5 Ų | 99.5 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.4 | -39.3 | 179.2 | -158.5 | 74.6 | 0 | 0 | 0 | 111.8 | T752 C753 H759 I760 | T752-L756 WeakPolarHBondContact O-CB 3.46Å; T752-L756 PolarHBondContact O-N 2.88Å; C753-L756 PolarHBondContact O-N 3.46Å; L756-H759 WeakPolarHBondContact O-CB 2.98Å; L756-H759 PolarHBondContact O-N 2.79Å; L756-H759 VanDerWaalsContact O-N 3.13Å; L756-I760 WeakPolarHBondContact O-CG1 3.36Å; L756-I760 PolarHBondContact O-N 3.25Å |
| 757 | N | 89.3 | Confident | 90.2 | Very high | 93 Ų | 93 | 99.8 Ų | 99.8 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 173.9 | -79.8 | -32.6 | 0 | 0 | 0 | 112.1 | C753 S755 H759 I760 E761 | C753-N757 WeakPolarHBondContact O-CB 3.4Å; C753-N757 PolarHBondContact O-N 3.36Å; C753-N757 PolarHBondContact O-ND2 2.67Å; S755-N757 PolarHBondContact O-N 2.88Å; N757-H759 VanDerWaalsContact C-N 3.27Å; N757-H759 PolarHBondContact O-N 3.2Å; N757-I760 PolarHBondContact O-N 3.12Å; N757-E761 PolarHBondContact O-N 2.98Å |
| 758 | K | 92 | Very high | 90 | Very high | 145 Ų | 145 | 100.3 Ų | 100.3 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.9 | -39.1 | 172.1 | -72.6 | 166.4 | -175.7 | 169.9 | 0 | 111.6 | D754 S755 E761 T762 | D754-K758 WeakPolarHBondContact O-CG 3.45Å; D754-K758 PolarHBondContact O-N 3.07Å; D754-K758 VanDerWaalsContact O-N 3.14Å; S755-K758 PolarHBondContact O-N 3.01Å; K758-E761 PolarHBondContact O-N 3.08Å; K758-T762 PolarHBondContact O-N 2.99Å; K758-T762 PolarHBondContact O-OG1 3.31Å |
| 759 | H | 88.7 | Confident | 89.9 | Confident | 129 Ų | 129 | 99 Ų | 99 | 60% | 0.597 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -43.9 | 176.6 | -139.4 | 48.3 | 0 | 0 | 0 | 111.7 | S755 L756 N757 E761 T762 V763 | S755-H759 PolarHBondContact O-N 3.19Å; L756-H759 WeakPolarHBondContact O-CB 2.98Å; L756-H759 PolarHBondContact O-N 2.79Å; L756-H759 VanDerWaalsContact O-N 3.13Å; N757-H759 VanDerWaalsContact C-N 3.27Å; N757-H759 PolarHBondContact O-N 3.2Å; H759-E761 VanDerWaalsContact C-N 3.32Å; H759-E761 PolarHBondContact O-N 2.74Å; H759-T762 WeakPolarHBondContact CA-OG1 3.24Å; H759-T762 PolarHBondContact O-N 3.01Å; H759-T762 VanDerWaalsContact O-N 3.13Å; H759-T762 PolarHBondContact O-OG1 2.83Å; H759-V763 WeakPolarHBondContact O-CG2 3.45Å; H759-V763 PolarHBondContact O-N 3.45Å |
| 760 | I | 90.6 | Very high | 89.7 | Confident | 77 Ų | 77 | 99.1 Ų | 99.1 | 40% | 0.395 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | 173.2 | -69.2 | 163.6 | 0 | 0 | 0 | 111.3 | L756 N757 V763 K764 | L756-I760 WeakPolarHBondContact O-CG1 3.36Å; L756-I760 PolarHBondContact O-N 3.25Å; N757-I760 PolarHBondContact O-N 3.12Å; I760-V763 PolarHBondContact O-N 2.94Å; I760-K764 HydrophobicContact CG2-CD 4.38Å; I760-K764 WeakPolarHBondContact O-CG 3.37Å; I760-K764 PolarHBondContact O-N 3.27Å |
| 761 | E | 90 | Very high | 89.6 | Confident | 105 Ų | 105 | 100 Ų | 100 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 173.1 | -80.2 | -163.7 | -160.8 | 0 | 0 | 113.2 | N757 K758 H759 V763 K764 K765 | N757-E761 PolarHBondContact O-N 2.98Å; K758-E761 PolarHBondContact O-N 3.08Å; H759-E761 VanDerWaalsContact C-N 3.32Å; H759-E761 PolarHBondContact O-N 2.74Å; E761-V763 VanDerWaalsContact C-N 3.32Å; E761-V763 PolarHBondContact O-N 2.92Å; E761-K764 PolarHBondContact O-N 3.44Å; E761-K765 WeakPolarHBondContact O-CG 3.37Å; E761-K765 PolarHBondContact O-N 3.47Å; E761-K765 IonicContact OE2-NZ 2.78Å; E761-K765 PolarHBondContact OE2-NZ 3.28Å |
| 762 | T | 89 | Confident | 89.3 | Confident | 68 Ų | 68 | 99.7 Ų | 99.7 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 177.5 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | K758 H759 K765 L766 | K758-T762 PolarHBondContact O-N 2.99Å; K758-T762 PolarHBondContact O-OG1 3.31Å; H759-T762 WeakPolarHBondContact CA-OG1 3.24Å; H759-T762 PolarHBondContact O-N 3.01Å; H759-T762 VanDerWaalsContact O-N 3.13Å; H759-T762 PolarHBondContact O-OG1 2.83Å; T762-K765 PolarHBondContact O-N 2.99Å; T762-L766 WeakPolarHBondContact O-CB 3.38Å; T762-L766 VanDerWaalsContact O-CG 3.3Å; T762-L766 WeakPolarHBondContact O-CG 3.37Å; T762-L766 PolarHBondContact O-N 3.43Å |
| 763 | V | 88.8 | Confident | 89.2 | Confident | 84 Ų | 84 | 101.5 Ų | 101.5 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.4 | -40.6 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | H759 I760 E761 L766 N767 | H759-V763 WeakPolarHBondContact O-CG2 3.45Å; H759-V763 PolarHBondContact O-N 3.45Å; I760-V763 PolarHBondContact O-N 2.94Å; E761-V763 VanDerWaalsContact C-N 3.32Å; E761-V763 PolarHBondContact O-N 2.92Å; V763-L766 PolarHBondContact O-N 3.13Å; V763-N767 WeakPolarHBondContact O-CB 3.47Å; V763-N767 PolarHBondContact O-N 3.21Å |
| 764 | K | 90.3 | Very high | 88.9 | Confident | 121 Ų | 121 | 103.3 Ų | 103.3 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.3 | -51.9 | 173.5 | -76.8 | 175.5 | 178.7 | 179.8 | 0 | 111.7 | I760 E761 L766 N767 E768 | I760-K764 HydrophobicContact CG2-CD 4.38Å; I760-K764 WeakPolarHBondContact O-CG 3.37Å; I760-K764 PolarHBondContact O-N 3.27Å; E761-K764 PolarHBondContact O-N 3.44Å; K764-L766 VanDerWaalsContact C-N 3.33Å; K764-L766 PolarHBondContact O-N 2.92Å; K764-N767 PolarHBondContact O-N 2.83Å; K764-N767 VanDerWaalsContact O-N 3.08Å; K764-E768 WeakPolarHBondContact O-CG 3.36Å; K764-E768 PolarHBondContact O-N 2.95Å |
| 765 | K | 90.9 | Very high | 88.8 | Confident | 125 Ų | 125 | 104.9 Ų | 104.9 | 54% | 0.543 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 179.7 | -71.8 | 163.2 | 179.5 | 157.4 | 0 | 112.4 | E761 T762 S769 | E761-K765 WeakPolarHBondContact O-CG 3.37Å; E761-K765 PolarHBondContact O-N 3.47Å; E761-K765 IonicContact OE2-NZ 2.78Å; E761-K765 PolarHBondContact OE2-NZ 3.28Å; T762-K765 PolarHBondContact O-N 2.99Å; K765-S769 WeakPolarHBondContact O-CB 3.31Å; K765-S769 PolarHBondContact O-N 3.36Å |
| 766 | L | 88.6 | Confident | 88.6 | Confident | 116 Ų | 116 | 106.7 Ų | 106.7 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66 | -40.7 | 173.5 | -73.7 | 169.7 | 0 | 0 | 0 | 112.3 | T762 V763 K764 S769 L770 | T762-L766 WeakPolarHBondContact O-CB 3.38Å; T762-L766 VanDerWaalsContact O-CG 3.3Å; T762-L766 WeakPolarHBondContact O-CG 3.37Å; T762-L766 PolarHBondContact O-N 3.43Å; V763-L766 PolarHBondContact O-N 3.13Å; K764-L766 VanDerWaalsContact C-N 3.33Å; K764-L766 PolarHBondContact O-N 2.92Å; L766-S769 PolarHBondContact O-N 3.49Å; L766-L770 WeakPolarHBondContact O-CB 3.37Å; L766-L770 PolarHBondContact O-N 3.46Å |
| 767 | N | 84.1 | Confident | 88.3 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 59% | 0.588 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.5 | -37.2 | 179.3 | -161.7 | 24.6 | 0 | 0 | 0 | 112.2 | V763 K764 L770 K771 | V763-N767 WeakPolarHBondContact O-CB 3.47Å; V763-N767 PolarHBondContact O-N 3.21Å; K764-N767 PolarHBondContact O-N 2.83Å; K764-N767 VanDerWaalsContact O-N 3.08Å; N767-L770 PolarHBondContact O-N 3.44Å; N767-K771 WeakPolarHBondContact O-CB 3.47Å; N767-K771 PolarHBondContact O-N 3.06Å |
| 768 | E | 90.1 | Very high | 88.2 | Confident | 116 Ų | 116 | 103.1 Ų | 103.1 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 171.5 | -72.8 | 161.5 | 178.6 | 0 | 0 | 111.1 | K764 L770 K771 E772 | K764-E768 WeakPolarHBondContact O-CG 3.36Å; K764-E768 PolarHBondContact O-N 2.95Å; E768-L770 PolarHBondContact O-N 3.16Å; E768-K771 WeakPolarHBondContact O-CB 3.48Å; E768-K771 PolarHBondContact O-N 3.07Å; E768-E772 PolarHBondContact O-N 3.08Å |
| 769 | S | 88.5 | Confident | 87.9 | Confident | 70 Ų | 70 | 99 Ų | 99 | 49% | 0.49 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 174.8 | -173.6 | 0 | 0 | 0 | 0 | 112.8 | K765 L766 Q773 | K765-S769 WeakPolarHBondContact O-CB 3.31Å; K765-S769 PolarHBondContact O-N 3.36Å; L766-S769 PolarHBondContact O-N 3.49Å; S769-Q773 WeakPolarHBondContact O-CB 3.43Å; S769-Q773 PolarHBondContact O-N 3.41Å |
| 770 | L | 87.1 | Confident | 87.7 | Confident | 105 Ų | 105 | 98.5 Ų | 98.5 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 173.9 | -89.8 | 163.3 | 0 | 0 | 0 | 111.9 | L766 N767 E768 Q773 N774 | L766-L770 WeakPolarHBondContact O-CB 3.37Å; L766-L770 PolarHBondContact O-N 3.46Å; N767-L770 PolarHBondContact O-N 3.44Å; E768-L770 PolarHBondContact O-N 3.16Å; L770-Q773 PolarHBondContact O-N 3.43Å; L770-N774 WeakPolarHBondContact O-CB 3.13Å; L770-N774 PolarHBondContact O-N 3.38Å |
| 771 | K | 89.4 | Confident | 87.3 | Confident | 123 Ų | 123 | 100.7 Ų | 100.7 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 175.6 | -176.1 | 175.8 | 177.8 | -69.6 | 0 | 111.3 | N767 E768 Q773 N774 E775 | N767-K771 WeakPolarHBondContact O-CB 3.47Å; N767-K771 PolarHBondContact O-N 3.06Å; E768-K771 WeakPolarHBondContact O-CB 3.48Å; E768-K771 PolarHBondContact O-N 3.07Å; K771-Q773 VanDerWaalsContact C-N 3.33Å; K771-Q773 PolarHBondContact O-N 2.7Å; K771-N774 PolarHBondContact O-N 3.02Å; K771-E775 WeakPolarHBondContact CE-OE1 3.37Å; K771-E775 IonicContact NZ-OE1 2.86Å; K771-E775 PolarHBondContact NZ-OE1 3.29Å; K771-E775 IonicContact NZ-OE2 2.84Å; K771-E775 WeakPolarHBondContact O-CB 3.34Å; K771-E775 WeakPolarHBondContact O-CG 3.31Å; K771-E775 PolarHBondContact O-N 3.42Å |
| 772 | E | 88 | Confident | 87.1 | Confident | 106 Ų | 106 | 100.2 Ų | 100.2 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.1 | -43 | 173.7 | -86.3 | -163.4 | -141.6 | 0 | 0 | 112.7 | E768 K776 | E768-E772 PolarHBondContact O-N 3.08Å; E772-K776 WeakPolarHBondContact O-CB 3.33Å; E772-K776 VanDerWaalsContact O-CD 3.32Å; E772-K776 WeakPolarHBondContact O-CD 3.36Å; E772-K776 WeakPolarHBondContact O-CG 3.31Å; E772-K776 PolarHBondContact O-N 2.87Å; E772-K776 IonicContact OE2-NZ 3.2Å; E772-K776 PolarHBondContact OE2-NZ 2.92Å |
| 773 | Q | 86.1 | Confident | 86.9 | Confident | 121 Ų | 121 | 101 Ų | 101 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.2 | -43.6 | 178.4 | -174.6 | 176.9 | 0.5 | 0 | 0 | 111 | S769 L770 K771 K776 S777 | S769-Q773 WeakPolarHBondContact O-CB 3.43Å; S769-Q773 PolarHBondContact O-N 3.41Å; L770-Q773 PolarHBondContact O-N 3.43Å; K771-Q773 VanDerWaalsContact C-N 3.33Å; K771-Q773 PolarHBondContact O-N 2.7Å; Q773-K776 PolarHBondContact O-N 3.5Å; Q773-S777 PolarHBondContact O-N 3.48Å; Q773-S777 PolarHBondContact O-OG 3.33Å; Q773-S777 VanDerWaalsContact O-OG 3.09Å |
| 774 | N | 81.6 | Confident | 86.6 | Confident | 100 Ų | 100 | 102.3 Ų | 102.3 | 54% | 0.535 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 178.2 | -165.1 | 19.8 | 0 | 0 | 0 | 111.8 | L770 K771 K776 S777 I778 | L770-N774 WeakPolarHBondContact O-CB 3.13Å; L770-N774 PolarHBondContact O-N 3.38Å; K771-N774 PolarHBondContact O-N 3.02Å; N774-K776 PolarHBondContact O-N 3.32Å; N774-S777 PolarHBondContact O-N 2.99Å; N774-I778 VanDerWaalsContact O-CG1 3.27Å; N774-I778 WeakPolarHBondContact O-CG1 3.34Å; N774-I778 PolarHBondContact O-N 3.22Å |
| 775 | E | 88.8 | Confident | 86.3 | Confident | 99 Ų | 99 | 100 Ų | 100 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 174.4 | -75.2 | 172.5 | -178.7 | 0 | 0 | 112.1 | K771 I778 A779 | K771-E775 WeakPolarHBondContact CE-OE1 3.37Å; K771-E775 IonicContact NZ-OE1 2.86Å; K771-E775 PolarHBondContact NZ-OE1 3.29Å; K771-E775 IonicContact NZ-OE2 2.84Å; K771-E775 WeakPolarHBondContact O-CB 3.34Å; K771-E775 WeakPolarHBondContact O-CG 3.31Å; K771-E775 PolarHBondContact O-N 3.42Å; E775-I778 PolarHBondContact O-N 2.94Å; E775-A779 PolarHBondContact O-N 3.34Å |
| 776 | K | 89.3 | Confident | 86 | Confident | 115 Ų | 115 | 100.1 Ų | 100.1 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 173.3 | -70.5 | 160.9 | -166.6 | 164.1 | 0 | 111.8 | E772 Q773 N774 A779 Q780 | E772-K776 WeakPolarHBondContact O-CB 3.33Å; E772-K776 VanDerWaalsContact O-CD 3.32Å; E772-K776 WeakPolarHBondContact O-CD 3.36Å; E772-K776 WeakPolarHBondContact O-CG 3.31Å; E772-K776 PolarHBondContact O-N 2.87Å; E772-K776 IonicContact OE2-NZ 3.2Å; E772-K776 PolarHBondContact OE2-NZ 2.92Å; Q773-K776 PolarHBondContact O-N 3.5Å; N774-K776 PolarHBondContact O-N 3.32Å; K776-A779 PolarHBondContact O-N 2.74Å; K776-Q780 WeakPolarHBondContact O-CG 3.44Å; K776-Q780 PolarHBondContact O-N 3.46Å; K776-Q780 VanDerWaalsContact O-N 3.08Å |
| 777 | S | 82.8 | Confident | 85.8 | Confident | 48 Ų | 48 | 98.8 Ų | 98.8 | 34% | 0.336 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 175.9 | -62.9 | 0 | 0 | 0 | 0 | 113 | Q773 N774 Q780 L781 | Q773-S777 PolarHBondContact O-N 3.48Å; Q773-S777 PolarHBondContact O-OG 3.33Å; Q773-S777 VanDerWaalsContact O-OG 3.09Å; N774-S777 PolarHBondContact O-N 2.99Å; S777-Q780 PolarHBondContact O-N 2.93Å; S777-L781 WeakPolarHBondContact O-CG 3.43Å; S777-L781 PolarHBondContact O-N 3.45Å |
| 778 | I | 87.9 | Confident | 85.7 | Confident | 83 Ų | 83 | 100.2 Ų | 100.2 | 43% | 0.426 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 174.4 | -70 | 162.7 | 0 | 0 | 0 | 110.5 | N774 E775 Q780 L781 I782 | N774-I778 VanDerWaalsContact O-CG1 3.27Å; N774-I778 WeakPolarHBondContact O-CG1 3.34Å; N774-I778 PolarHBondContact O-N 3.22Å; E775-I778 PolarHBondContact O-N 2.94Å; I778-Q780 PolarHBondContact O-N 3.18Å; I778-L781 PolarHBondContact O-N 3.05Å; I778-I782 HydrophobicContact CG2-CD1 4Å; I778-I782 WeakPolarHBondContact O-CG1 3.39Å; I778-I782 PolarHBondContact O-N 3.28Å |
| 779 | A | 86.3 | Confident | 85.4 | Confident | 58 Ų | 58 | 100 Ų | 100 | 48% | 0.479 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -44 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E775 K776 L781 I782 E783 | E775-A779 PolarHBondContact O-N 3.34Å; K776-A779 PolarHBondContact O-N 2.74Å; A779-L781 PolarHBondContact O-N 3.15Å; A779-I782 PolarHBondContact O-N 2.92Å; A779-E783 PolarHBondContact O-N 2.92Å |
| 780 | Q | 84 | Confident | 85.2 | Confident | 119 Ų | 119 | 101.6 Ų | 101.6 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63 | -38.8 | 174.8 | -73.1 | 174.5 | -4.6 | 0 | 0 | 112.5 | K776 S777 I778 E783 K784 | K776-Q780 WeakPolarHBondContact O-CG 3.44Å; K776-Q780 PolarHBondContact O-N 3.46Å; K776-Q780 VanDerWaalsContact O-N 3.08Å; S777-Q780 PolarHBondContact O-N 2.93Å; I778-Q780 PolarHBondContact O-N 3.18Å; Q780-E783 PolarHBondContact O-N 3.47Å; Q780-K784 WeakPolarHBondContact O-CG 3.38Å; Q780-K784 PolarHBondContact O-N 2.95Å |
| 781 | L | 81.6 | Confident | 84.9 | Confident | 122 Ų | 122 | 100.9 Ų | 100.9 | 64% | 0.639 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.4 | -39.2 | 175.2 | -75.7 | 167.9 | 0 | 0 | 0 | 112 | S777 I778 A779 K784 E785 | S777-L781 WeakPolarHBondContact O-CG 3.43Å; S777-L781 PolarHBondContact O-N 3.45Å; I778-L781 PolarHBondContact O-N 3.05Å; A779-L781 PolarHBondContact O-N 3.15Å; L781-K784 PolarHBondContact O-N 2.9Å; L781-E785 VanDerWaalsContact O-CB 3.28Å; L781-E785 WeakPolarHBondContact O-CB 3.39Å; L781-E785 PolarHBondContact O-N 2.9Å |
| 782 | I | 86.5 | Confident | 84.5 | Confident | 96 Ų | 96 | 100.2 Ų | 100.2 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 175.1 | -66.5 | 164.5 | 0 | 0 | 0 | 110.9 | I778 A779 K784 E785 E786 | I778-I782 HydrophobicContact CG2-CD1 4Å; I778-I782 WeakPolarHBondContact O-CG1 3.39Å; I778-I782 PolarHBondContact O-N 3.28Å; A779-I782 PolarHBondContact O-N 2.92Å; I782-K784 VanDerWaalsContact C-N 3.31Å; I782-K784 PolarHBondContact O-N 2.6Å; I782-E785 WeakPolarHBondContact O-CB 3.45Å; I782-E785 PolarHBondContact O-N 3.15Å; I782-E785 VanDerWaalsContact O-N 3.17Å; I782-E786 PolarHBondContact O-N 3.48Å |
| 783 | E | 84.4 | Confident | 84.2 | Confident | 85 Ų | 85 | 100.2 Ų | 100.2 | 40% | 0.397 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.9 | -40.9 | 176 | -168.1 | -149.3 | 119.2 | 0 | 0 | 111.9 | A779 Q780 Q787 | A779-E783 PolarHBondContact O-N 2.92Å; Q780-E783 PolarHBondContact O-N 3.47Å; E783-Q787 WeakPolarHBondContact O-CB 3.29Å; E783-Q787 VanDerWaalsContact O-CG 3.29Å; E783-Q787 WeakPolarHBondContact O-CG 3.46Å; E783-Q787 PolarHBondContact O-N 3.4Å; E783-Q787 PolarHBondContact OE1-NE2 2.86Å |
| 784 | K | 83.2 | Confident | 84.1 | Confident | 111 Ų | 111 | 99 Ų | 99 | 48% | 0.483 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.3 | -30.6 | 176.4 | -60.5 | -61.3 | 157.1 | -143.4 | 0 | 113.1 | Q780 L781 I782 R788 | Q780-K784 WeakPolarHBondContact O-CG 3.38Å; Q780-K784 PolarHBondContact O-N 2.95Å; L781-K784 PolarHBondContact O-N 2.9Å; I782-K784 VanDerWaalsContact C-N 3.31Å; I782-K784 PolarHBondContact O-N 2.6Å; K784-R788 WeakPolarHBondContact O-CB 3.3Å; K784-R788 PolarHBondContact O-N 3.12Å |
| 785 | E | 83.9 | Confident | 83.9 | Confident | 73 Ų | 73 | 98.3 Ų | 98.3 | 34% | 0.341 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 172.2 | -177.8 | 67.6 | -153.9 | 0 | 0 | 111 | L781 I782 R788 K789 | L781-E785 VanDerWaalsContact O-CB 3.28Å; L781-E785 WeakPolarHBondContact O-CB 3.39Å; L781-E785 PolarHBondContact O-N 2.9Å; I782-E785 WeakPolarHBondContact O-CB 3.45Å; I782-E785 PolarHBondContact O-N 3.15Å; I782-E785 VanDerWaalsContact O-N 3.17Å; E785-R788 IonicContact OE1-CZ 3.85Å; E785-R788 IonicContact OE1-NH1 3.8Å; E785-R788 IonicContact OE1-NH2 2.65Å; E785-R788 PolarHBondContact OE1-NH2 3.17Å; E785-R788 IonicContact OE2-CZ 3.22Å; E785-R788 VanDerWaalsContact OE2-CZ 3.23Å; E785-R788 IonicContact OE2-NH1 3.95Å; E785-R788 PolarHBondContact OE2-NH1 2.98Å; E785-R788 IonicContact OE2-NH2 2.61Å; E785-R788 PolarHBondContact OE2-NH2 3.09Å; E785-K789 WeakPolarHBondContact O-CG 3.5Å; E785-K789 PolarHBondContact O-N 3.46Å; E785-K789 WeakPolarHBondContact OE1-CE 3.31Å; E785-K789 IonicContact OE1-NZ 2.77Å |
| 786 | E | 84.5 | Confident | 83.6 | Confident | 127 Ų | 127 | 96.5 Ų | 96.5 | 59% | 0.593 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70.3 | -45 | 174.7 | -71 | -171.1 | 133.1 | 0 | 0 | 112.5 | I782 R788 K789 E790 | I782-E786 PolarHBondContact O-N 3.48Å; E786-R788 PolarHBondContact O-N 3.02Å; E786-K789 WeakPolarHBondContact O-CB 3.34Å; E786-K789 PolarHBondContact O-N 2.94Å; E786-E790 PolarHBondContact O-N 3.32Å |
| 787 | Q | 82.9 | Confident | 83.2 | Confident | 88 Ų | 88 | 94.6 Ų | 94.6 | 41% | 0.411 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.9 | -34.4 | 174.5 | -74.8 | 167.7 | 12.2 | 0 | 0 | 112.4 | E783 V791 | E783-Q787 WeakPolarHBondContact O-CB 3.29Å; E783-Q787 VanDerWaalsContact O-CG 3.29Å; E783-Q787 WeakPolarHBondContact O-CG 3.46Å; E783-Q787 PolarHBondContact O-N 3.4Å; E783-Q787 PolarHBondContact OE1-NE2 2.86Å; Q787-V791 WeakPolarHBondContact O-CG2 3.43Å; Q787-V791 PolarHBondContact O-N 3.29Å; Q787-V791 VanDerWaalsContact O-N 3.08Å |
| 788 | R | 82.3 | Confident | 83.1 | Confident | 140 Ų | 140 | 100.9 Ų | 100.9 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 173.5 | -165.2 | -178.5 | 73.1 | -107.4 | -2.9 | 112.2 | K784 E785 E786 Q792 | K784-R788 WeakPolarHBondContact O-CB 3.3Å; K784-R788 PolarHBondContact O-N 3.12Å; E785-R788 IonicContact OE1-CZ 3.85Å; E785-R788 IonicContact OE1-NH1 3.8Å; E785-R788 IonicContact OE1-NH2 2.65Å; E785-R788 PolarHBondContact OE1-NH2 3.17Å; E785-R788 IonicContact OE2-CZ 3.22Å; E785-R788 VanDerWaalsContact OE2-CZ 3.23Å; E785-R788 IonicContact OE2-NH1 3.95Å; E785-R788 PolarHBondContact OE2-NH1 2.98Å; E785-R788 IonicContact OE2-NH2 2.61Å; E785-R788 PolarHBondContact OE2-NH2 3.09Å; E786-R788 PolarHBondContact O-N 3.02Å; R788-Q792 WeakPolarHBondContact O-CB 3.34Å; R788-Q792 PolarHBondContact O-N 2.8Å |
| 789 | K | 84.3 | Confident | 82.7 | Confident | 110 Ų | 110 | 102.1 Ų | 102.1 | 48% | 0.478 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 176 | -71.4 | 166.8 | -175.5 | 167.9 | 0 | 111.9 | E785 E786 Q792 N793 | E785-K789 WeakPolarHBondContact O-CG 3.5Å; E785-K789 PolarHBondContact O-N 3.46Å; E785-K789 WeakPolarHBondContact OE1-CE 3.31Å; E785-K789 IonicContact OE1-NZ 2.77Å; E786-K789 WeakPolarHBondContact O-CB 3.34Å; E786-K789 PolarHBondContact O-N 2.94Å; K789-Q792 PolarHBondContact O-N 3.31Å; K789-N793 VanDerWaalsContact O-CG 3.25Å; K789-N793 PolarHBondContact O-N 3.35Å; K789-N793 PolarHBondContact O-ND2 2.96Å |
| 790 | E | 84.3 | Confident | 82.3 | Confident | 105 Ų | 105 | 105.5 Ų | 105.5 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.5 | -51.8 | 174.9 | -177.7 | 56.5 | -141.6 | 0 | 0 | 111 | E786 Q792 N793 Q794 | E786-E790 PolarHBondContact O-N 3.32Å; E790-Q792 PolarHBondContact O-N 3.39Å; E790-N793 PolarHBondContact O-N 3.03Å; E790-Q794 WeakPolarHBondContact O-CG 3.48Å; E790-Q794 PolarHBondContact O-N 3.46Å; E790-Q794 PolarHBondContact OE1-NE2 3.45Å |
| 791 | V | 80.1 | Confident | 82.2 | Confident | 89 Ų | 89 | 105.3 Ų | 105.3 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 112 | Q787 N793 Q794 L795 | Q787-V791 WeakPolarHBondContact O-CG2 3.43Å; Q787-V791 PolarHBondContact O-N 3.29Å; Q787-V791 VanDerWaalsContact O-N 3.08Å; V791-N793 PolarHBondContact O-N 3.43Å; V791-Q794 PolarHBondContact O-N 3.09Å; V791-L795 WeakPolarHBondContact O-CB 3.5Å; V791-L795 PolarHBondContact O-N 3.32Å |
| 792 | Q | 81 | Confident | 81.9 | Confident | 110 Ų | 110 | 105 Ų | 105 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 177 | -173.4 | 67.4 | 37.8 | 0 | 0 | 111.9 | R788 K789 E790 L795 V796 | R788-Q792 WeakPolarHBondContact O-CB 3.34Å; R788-Q792 PolarHBondContact O-N 2.8Å; K789-Q792 PolarHBondContact O-N 3.31Å; E790-Q792 PolarHBondContact O-N 3.39Å; Q792-L795 WeakPolarHBondContact O-CB 3.46Å; Q792-L795 PolarHBondContact O-N 2.85Å; Q792-V796 PolarHBondContact O-N 2.91Å; Q792-V796 VanDerWaalsContact O-N 3.16Å |
| 793 | N | 82.5 | Confident | 81.4 | Confident | 106 Ų | 106 | 103.3 Ų | 103.3 | 57% | 0.567 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.7 | -43.7 | 177.5 | -69.7 | -20.8 | 0 | 0 | 0 | 111.6 | K789 E790 V791 L795 V796 D797 | K789-N793 VanDerWaalsContact O-CG 3.25Å; K789-N793 PolarHBondContact O-N 3.35Å; K789-N793 PolarHBondContact O-ND2 2.96Å; E790-N793 PolarHBondContact O-N 3.03Å; V791-N793 PolarHBondContact O-N 3.43Å; N793-L795 VanDerWaalsContact C-N 3.26Å; N793-L795 PolarHBondContact O-N 3.49Å; N793-V796 PolarHBondContact O-N 3.37Å; N793-D797 PolarHBondContact O-N 3.15Å; N793-D797 VanDerWaalsContact O-N 3.12Å |
| 794 | Q | 83.5 | Confident | 80.9 | Confident | 96 Ų | 96 | 104.2 Ų | 104.2 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -31.9 | 175.8 | -67.8 | 179.1 | 23.6 | 0 | 0 | 112.6 | E790 V791 R798 | E790-Q794 WeakPolarHBondContact O-CG 3.48Å; E790-Q794 PolarHBondContact O-N 3.46Å; E790-Q794 PolarHBondContact OE1-NE2 3.45Å; V791-Q794 PolarHBondContact O-N 3.09Å; Q794-R798 WeakPolarHBondContact O-CG 3.45Å; Q794-R798 PolarHBondContact O-N 3.18Å; Q794-R798 VanDerWaalsContact O-N 3.11Å |
| 795 | L | 78.1 | Confident | 80.6 | Confident | 84 Ų | 84 | 103.9 Ų | 103.9 | 44% | 0.44 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.1 | -48.3 | 177.3 | -145.8 | 163.8 | 0 | 0 | 0 | 110.8 | V791 Q792 N793 D797 R798 E799 | V791-L795 WeakPolarHBondContact O-CB 3.5Å; V791-L795 PolarHBondContact O-N 3.32Å; Q792-L795 WeakPolarHBondContact O-CB 3.46Å; Q792-L795 PolarHBondContact O-N 2.85Å; N793-L795 VanDerWaalsContact C-N 3.26Å; N793-L795 PolarHBondContact O-N 3.49Å; L795-D797 PolarHBondContact O-N 3.14Å; L795-R798 PolarHBondContact O-N 3.34Å; L795-R798 VanDerWaalsContact O-N 3.1Å; L795-E799 HydrophobicContact CD2-CG 4.1Å; L795-E799 PolarHBondContact O-N 2.72Å |
| 796 | V | 82.1 | Confident | 80.1 | Confident | 61 Ų | 61 | 107.5 Ų | 107.5 | 37% | 0.37 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.2 | 174.3 | 0 | 0 | 0 | 0 | 112.2 | Q792 N793 R798 E799 H800 | Q792-V796 PolarHBondContact O-N 2.91Å; Q792-V796 VanDerWaalsContact O-N 3.16Å; N793-V796 PolarHBondContact O-N 3.37Å; V796-R798 VanDerWaalsContact C-N 3.31Å; V796-R798 PolarHBondContact O-N 2.91Å; V796-E799 PolarHBondContact O-N 2.92Å; V796-H800 PolarHBondContact O-N 3.35Å |
| 797 | D | 81.2 | Confident | 79.8 | Confident | 76 Ų | 76 | 108.3 Ų | 108.3 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -34.5 | 175.3 | 169.5 | 63.4 | 0 | 0 | 0 | 112.2 | N793 L795 K801 | N793-D797 PolarHBondContact O-N 3.15Å; N793-D797 VanDerWaalsContact O-N 3.12Å; L795-D797 PolarHBondContact O-N 3.14Å; D797-K801 WeakPolarHBondContact O-CD 3.5Å; D797-K801 WeakPolarHBondContact O-CG 3.25Å; D797-K801 PolarHBondContact O-N 2.79Å; D797-K801 WeakPolarHBondContact OD1-CE 3.16Å; D797-K801 IonicContact OD1-NZ 2.69Å; D797-K801 PolarHBondContact OD1-NZ 3.36Å; D797-K801 WeakPolarHBondContact OD2-CE 3.28Å; D797-K801 IonicContact OD2-NZ 3.42Å; D797-K801 PolarHBondContact OD2-NZ 3.16Å |
| 798 | R | 81.1 | Confident | 79.5 | Confident | 179 Ų | 179 | 111 Ų | 111 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.8 | -35.6 | 171.6 | -75.2 | -165.3 | -175.4 | -156.7 | 4.8 | 113.4 | Q794 L795 V796 K801 L802 | Q794-R798 WeakPolarHBondContact O-CG 3.45Å; Q794-R798 PolarHBondContact O-N 3.18Å; Q794-R798 VanDerWaalsContact O-N 3.11Å; L795-R798 PolarHBondContact O-N 3.34Å; L795-R798 VanDerWaalsContact O-N 3.1Å; V796-R798 VanDerWaalsContact C-N 3.31Å; V796-R798 PolarHBondContact O-N 2.91Å; R798-K801 PolarHBondContact O-N 3.44Å; R798-L802 WeakPolarHBondContact O-CB 3.32Å; R798-L802 WeakPolarHBondContact O-CG 3.46Å; R798-L802 PolarHBondContact O-N 3.27Å |
| 799 | E | 79.1 | Confident | 79.2 | Confident | 110 Ų | 110 | 108 Ų | 108 | 51% | 0.514 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 172.9 | -71.3 | 176.9 | 156.1 | 0 | 0 | 111.3 | L795 V796 K801 L802 A803 | L795-E799 HydrophobicContact CD2-CG 4.1Å; L795-E799 PolarHBondContact O-N 2.72Å; V796-E799 PolarHBondContact O-N 2.92Å; E799-K801 VanDerWaalsContact C-N 3.32Å; E799-K801 PolarHBondContact O-N 3.3Å; E799-L802 PolarHBondContact O-N 2.84Å; E799-A803 PolarHBondContact O-N 3.21Å |
| 800 | H | 78.1 | Confident | 78.9 | Confident | 128 Ų | 128 | 109 Ų | 109 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.7 | -38.6 | 172.9 | -84.5 | 26.3 | 0 | 0 | 0 | 112.7 | V796 N804 | V796-H800 PolarHBondContact O-N 3.35Å; H800-N804 PolarHBondContact O-N 2.91Å; H800-N804 PolarHBondContact O-ND2 3.49Å |
| 801 | K | 81.5 | Confident | 78.6 | Confident | 116 Ų | 116 | 108 Ų | 108 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.5 | -38.7 | 175.7 | -74.4 | 163.7 | -177.4 | 166.5 | 0 | 112.3 | D797 R798 E799 N804 L805 | D797-K801 WeakPolarHBondContact O-CD 3.5Å; D797-K801 WeakPolarHBondContact O-CG 3.25Å; D797-K801 PolarHBondContact O-N 2.79Å; D797-K801 WeakPolarHBondContact OD1-CE 3.16Å; D797-K801 IonicContact OD1-NZ 2.69Å; D797-K801 PolarHBondContact OD1-NZ 3.36Å; D797-K801 WeakPolarHBondContact OD2-CE 3.28Å; D797-K801 IonicContact OD2-NZ 3.42Å; D797-K801 PolarHBondContact OD2-NZ 3.16Å; R798-K801 PolarHBondContact O-N 3.44Å; E799-K801 VanDerWaalsContact C-N 3.32Å; E799-K801 PolarHBondContact O-N 3.3Å; K801-N804 PolarHBondContact O-N 3.37Å; K801-L805 WeakPolarHBondContact O-CG 3.42Å; K801-L805 PolarHBondContact O-N 3.23Å |
| 802 | L | 74.9 | Confident | 78.4 | Confident | 116 Ų | 116 | 110.2 Ų | 110.2 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.7 | -45.5 | 174.3 | -80 | 166.7 | 0 | 0 | 0 | 112 | R798 E799 N804 L805 H806 | R798-L802 WeakPolarHBondContact O-CB 3.32Å; R798-L802 WeakPolarHBondContact O-CG 3.46Å; R798-L802 PolarHBondContact O-N 3.27Å; E799-L802 PolarHBondContact O-N 2.84Å; L802-N804 PolarHBondContact O-N 3.01Å; L802-L805 PolarHBondContact O-N 3.41Å; L802-H806 WeakPolarHBondContact O-CB 3.15Å; L802-H806 PolarHBondContact O-N 3.01Å |
| 803 | A | 75.6 | Confident | 78 | Confident | 60 Ų | 60 | 110.3 Ų | 110.3 | 50% | 0.496 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | E799 L805 H806 Q807 | E799-A803 PolarHBondContact O-N 3.21Å; A803-L805 PolarHBondContact O-N 3.35Å; A803-H806 PolarHBondContact O-N 3.11Å; A803-Q807 PolarHBondContact O-N 2.9Å; A803-Q807 VanDerWaalsContact O-N 3.09Å |
| 804 | N | 75.9 | Confident | 77.6 | Confident | 103 Ų | 103 | 111 Ų | 111 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.8 | -37.9 | 176.7 | -84.5 | -74.7 | 0 | 0 | 0 | 113.3 | H800 K801 L802 K808 | H800-N804 PolarHBondContact O-N 2.91Å; H800-N804 PolarHBondContact O-ND2 3.49Å; K801-N804 PolarHBondContact O-N 3.37Å; L802-N804 PolarHBondContact O-N 3.01Å; N804-K808 WeakPolarHBondContact O-CG 3.16Å; N804-K808 PolarHBondContact O-N 2.56Å |
| 805 | L | 75.9 | Confident | 77.4 | Confident | 105 Ų | 105 | 113.3 Ų | 113.3 | 55% | 0.55 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.8 | -44.1 | 174.9 | -74.7 | 170.8 | 0 | 0 | 0 | 111.5 | K801 L802 A803 Q807 K808 T809 | K801-L805 WeakPolarHBondContact O-CG 3.42Å; K801-L805 PolarHBondContact O-N 3.23Å; L802-L805 PolarHBondContact O-N 3.41Å; A803-L805 PolarHBondContact O-N 3.35Å; L805-Q807 VanDerWaalsContact C-N 3.3Å; L805-Q807 PolarHBondContact O-N 3.33Å; L805-K808 WeakPolarHBondContact O-CB 3.35Å; L805-K808 PolarHBondContact O-N 3.02Å; L805-T809 PolarHBondContact O-N 3.27Å; L805-T809 PolarHBondContact O-OG1 3.06Å |
| 806 | H | 73.5 | Confident | 77.2 | Confident | 149 Ų | 149 | 114 Ų | 114 | 69% | 0.69 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.3 | -40.1 | -179.7 | -160.1 | 66.3 | 0 | 0 | 0 | 111.9 | L802 A803 T809 K810 | L802-H806 WeakPolarHBondContact O-CB 3.15Å; L802-H806 PolarHBondContact O-N 3.01Å; A803-H806 PolarHBondContact O-N 3.11Å; H806-T809 PolarHBondContact O-N 2.85Å; H806-K810 PolarHBondContact O-N 2.77Å |
| 807 | Q | 78.4 | Confident | 76.9 | Confident | 144 Ų | 144 | 118.6 Ų | 118.6 | 67% | 0.673 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.6 | -34.3 | 174.5 | -169.2 | 162.9 | -0.3 | 0 | 0 | 113 | A803 L805 V811 | A803-Q807 PolarHBondContact O-N 2.9Å; A803-Q807 VanDerWaalsContact O-N 3.09Å; L805-Q807 VanDerWaalsContact C-N 3.3Å; L805-Q807 PolarHBondContact O-N 3.33Å; Q807-V811 WeakPolarHBondContact O-CG2 3.2Å; Q807-V811 PolarHBondContact O-N 2.84Å |
| 808 | K | 77.3 | Confident | 76.7 | Confident | 145 Ų | 145 | 119.1 Ų | 119.1 | 63% | 0.63 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.8 | -41.3 | 173 | -77.5 | 179.9 | 178.2 | -180 | 0 | 112.7 | N804 L805 K810 V811 Q812 | N804-K808 WeakPolarHBondContact O-CG 3.16Å; N804-K808 PolarHBondContact O-N 2.56Å; L805-K808 WeakPolarHBondContact O-CB 3.35Å; L805-K808 PolarHBondContact O-N 3.02Å; K808-K810 VanDerWaalsContact C-N 3.34Å; K808-K810 PolarHBondContact O-N 2.63Å; K808-V811 PolarHBondContact O-N 2.84Å; K808-Q812 PolarHBondContact O-N 2.87Å |
| 809 | T | 74.2 | Confident | 76.4 | Confident | 77 Ų | 77 | 115.8 Ų | 115.8 | 47% | 0.472 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58.5 | -47 | 176.7 | -56.2 | 0 | 0 | 0 | 0 | 111 | L805 H806 V811 Q812 E813 | L805-T809 PolarHBondContact O-N 3.27Å; L805-T809 PolarHBondContact O-OG1 3.06Å; H806-T809 PolarHBondContact O-N 2.85Å; T809-V811 VanDerWaalsContact C-N 3.32Å; T809-V811 PolarHBondContact O-N 3.44Å; T809-Q812 WeakPolarHBondContact O-CA 3.49Å; T809-Q812 WeakPolarHBondContact O-CB 3.4Å; T809-Q812 PolarHBondContact O-N 2.98Å; T809-E813 PolarHBondContact O-N 3.19Å |
| 810 | K | 78.1 | Confident | 76.2 | Confident | 131 Ų | 131 | 116.1 Ų | 116.1 | 57% | 0.57 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -58.7 | -40.9 | -179.5 | -162.7 | 174.4 | -175.4 | 179.5 | 0 | 113 | H806 K808 Q812 E813 E814 | H806-K810 PolarHBondContact O-N 2.77Å; K808-K810 VanDerWaalsContact C-N 3.34Å; K808-K810 PolarHBondContact O-N 2.63Å; K810-Q812 VanDerWaalsContact C-N 3.3Å; K810-Q812 PolarHBondContact O-N 3.49Å; K810-E813 PolarHBondContact O-N 3Å; K810-E814 PolarHBondContact O-N 3.41Å |
| 811 | V | 79.4 | Confident | 76.1 | Confident | 84 Ų | 84 | 116.6 Ų | 116.6 | 51% | 0.509 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.7 | -28.1 | 175.2 | 174 | 0 | 0 | 0 | 0 | 112.4 | Q807 K808 T809 K815 | Q807-V811 WeakPolarHBondContact O-CG2 3.2Å; Q807-V811 PolarHBondContact O-N 2.84Å; K808-V811 PolarHBondContact O-N 2.84Å; T809-V811 VanDerWaalsContact C-N 3.32Å; T809-V811 PolarHBondContact O-N 3.44Å; V811-K815 PolarHBondContact O-N 3.5Å |
| 812 | Q | 74.4 | Confident | 75.8 | Confident | 134 Ų | 134 | 115.9 Ų | 115.9 | 63% | 0.626 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -77.6 | -37.5 | 173.8 | -71.9 | -168.4 | -21.8 | 0 | 0 | 112.8 | K808 T809 K810 E814 K815 I816 | K808-Q812 PolarHBondContact O-N 2.87Å; T809-Q812 WeakPolarHBondContact O-CA 3.49Å; T809-Q812 WeakPolarHBondContact O-CB 3.4Å; T809-Q812 PolarHBondContact O-N 2.98Å; K810-Q812 VanDerWaalsContact C-N 3.3Å; K810-Q812 PolarHBondContact O-N 3.49Å; Q812-E814 VanDerWaalsContact C-N 3.32Å; Q812-E814 PolarHBondContact O-N 3.13Å; Q812-K815 PolarHBondContact O-N 3.21Å; Q812-I816 WeakPolarHBondContact O-CG1 3.47Å; Q812-I816 PolarHBondContact O-N 3.38Å |
| 813 | E | 73.6 | Confident | 75.8 | Confident | 112 Ų | 112 | 117.5 Ų | 117.5 | 52% | 0.523 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.7 | -41.2 | 174.4 | -69.4 | -174.4 | 114.4 | 0 | 0 | 112.4 | T809 K810 I816 K817 | T809-E813 PolarHBondContact O-N 3.19Å; K810-E813 PolarHBondContact O-N 3Å; E813-I816 PolarHBondContact O-N 3.08Å; E813-K817 PolarHBondContact O-N 3.04Å; E813-K817 VanDerWaalsContact O-N 3.13Å |
| 814 | E | 73.8 | Confident | 75.8 | Confident | 120 Ų | 120 | 120.5 Ų | 120.5 | 56% | 0.561 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.6 | -40.2 | 175.9 | -71.2 | 175.1 | 177.1 | 0 | 0 | 111.8 | K810 Q812 K817 T818 | K810-E814 PolarHBondContact O-N 3.41Å; Q812-E814 VanDerWaalsContact C-N 3.32Å; Q812-E814 PolarHBondContact O-N 3.13Å; E814-K817 PolarHBondContact O-N 2.94Å; E814-T818 PolarHBondContact O-N 2.95Å |
| 815 | K | 78.3 | Confident | 75.8 | Confident | 145 Ų | 145 | 120.3 Ų | 120.3 | 63% | 0.63 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.3 | -33.6 | 174.1 | -94.4 | -172 | 171.4 | -175.2 | 0 | 114.2 | V811 Q812 T818 L819 | V811-K815 PolarHBondContact O-N 3.5Å; Q812-K815 PolarHBondContact O-N 3.21Å; K815-T818 PolarHBondContact O-OG1 3.46Å; K815-L819 WeakPolarHBondContact O-CG 3.24Å; K815-L819 PolarHBondContact O-N 3.49Å |
| 816 | I | 75.7 | Confident | 75.7 | Confident | 100 Ų | 100 | 120.9 Ų | 120.9 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.8 | -43.6 | 176.2 | -70.7 | 166.1 | 0 | 0 | 0 | 109.7 | Q812 E813 T818 L819 Q820 | Q812-I816 WeakPolarHBondContact O-CG1 3.47Å; Q812-I816 PolarHBondContact O-N 3.38Å; E813-I816 PolarHBondContact O-N 3.08Å; I816-T818 VanDerWaalsContact C-N 3.34Å; I816-T818 PolarHBondContact O-N 3.22Å; I816-L819 PolarHBondContact O-N 3.46Å; I816-Q820 WeakPolarHBondContact O-CB 3.49Å; I816-Q820 PolarHBondContact O-N 3Å |
| 817 | K | 75.9 | Confident | 75.7 | Confident | 156 Ų | 156 | 118.4 Ų | 118.4 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.5 | -38.6 | 177.6 | -74 | 176 | 179.2 | 172.4 | 0 | 113.4 | E813 E814 K821 | E813-K817 PolarHBondContact O-N 3.04Å; E813-K817 VanDerWaalsContact O-N 3.13Å; E814-K817 PolarHBondContact O-N 2.94Å; K817-K821 PolarHBondContact O-N 3.43Å |
| 818 | T | 75.7 | Confident | 75.4 | Confident | 88 Ų | 88 | 118.5 Ų | 118.5 | 54% | 0.54 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.8 | -44 | 176.5 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | E814 K815 I816 Q820 K821 E822 | E814-T818 PolarHBondContact O-N 2.95Å; K815-T818 PolarHBondContact O-OG1 3.46Å; I816-T818 VanDerWaalsContact C-N 3.34Å; I816-T818 PolarHBondContact O-N 3.22Å; T818-Q820 VanDerWaalsContact C-N 3.33Å; T818-Q820 PolarHBondContact O-N 2.84Å; T818-K821 PolarHBondContact O-N 3.12Å; T818-E822 PolarHBondContact O-N 3.44Å |
| 819 | L | 75.2 | Confident | 75.2 | Confident | 109 Ų | 109 | 115.3 Ų | 115.3 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.7 | -31.9 | 179.6 | -72.6 | 169.9 | 0 | 0 | 0 | 112.7 | K815 I816 K821 E822 R823 | K815-L819 WeakPolarHBondContact O-CG 3.24Å; K815-L819 PolarHBondContact O-N 3.49Å; I816-L819 PolarHBondContact O-N 3.46Å; L819-K821 VanDerWaalsContact C-N 3.33Å; L819-E822 PolarHBondContact O-N 2.89Å; L819-R823 PolarHBondContact O-N 3.41Å |
| 820 | Q | 75.5 | Confident | 75.1 | Confident | 117 Ų | 117 | 115.6 Ų | 115.6 | 55% | 0.547 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.9 | -34.3 | 178.1 | -169.2 | 161.6 | -7.6 | 0 | 0 | 111.8 | I816 T818 R823 E824 | I816-Q820 WeakPolarHBondContact O-CB 3.49Å; I816-Q820 PolarHBondContact O-N 3Å; T818-Q820 VanDerWaalsContact C-N 3.33Å; T818-Q820 PolarHBondContact O-N 2.84Å; Q820-R823 WeakPolarHBondContact O-CB 3.38Å; Q820-R823 PolarHBondContact O-N 2.79Å; Q820-E824 PolarHBondContact O-N 3.27Å |
| 821 | K | 75.8 | Confident | 75 | Confident | 138 Ų | 138 | 112.5 Ų | 112.5 | 60% | 0.6 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.1 | -43.3 | 173.3 | -166.3 | 178 | -178.7 | -175.3 | 0 | 112.5 | K817 T818 L819 R823 E824 D825 | K817-K821 PolarHBondContact O-N 3.43Å; T818-K821 PolarHBondContact O-N 3.12Å; L819-K821 VanDerWaalsContact C-N 3.33Å; K821-R823 PolarHBondContact O-N 3.32Å; K821-R823 VanDerWaalsContact O-N 3.12Å; K821-E824 PolarHBondContact O-N 3.26Å; K821-E824 VanDerWaalsContact O-N 3.11Å; K821-D825 PolarHBondContact O-N 2.88Å |
| 822 | E | 74.2 | Confident | 74.7 | Confident | 100 Ų | 100 | 113.4 Ų | 113.4 | 47% | 0.467 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.2 | -21 | 173.6 | -80 | -163.6 | -161.1 | 0 | 0 | 114 | T818 L819 K826 | T818-E822 PolarHBondContact O-N 3.44Å; L819-E822 PolarHBondContact O-N 2.89Å; E822-K826 VanDerWaalsContact O-CD 3.27Å; E822-K826 WeakPolarHBondContact O-CD 3.48Å; E822-K826 WeakPolarHBondContact O-CG 3.36Å; E822-K826 IonicContact OE2-NZ 2.65Å; E822-K826 PolarHBondContact OE2-NZ 3.18Å |
| 823 | R | 76.5 | Confident | 74.5 | Confident | 151 Ų | 151 | 112.2 Ų | 112.2 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.8 | -45.1 | 174.5 | -176.3 | -169.8 | 158.9 | -167.7 | -11.5 | 110.9 | L819 Q820 K821 D825 K826 E827 | L819-R823 PolarHBondContact O-N 3.41Å; Q820-R823 WeakPolarHBondContact O-CB 3.38Å; Q820-R823 PolarHBondContact O-N 2.79Å; K821-R823 PolarHBondContact O-N 3.32Å; K821-R823 VanDerWaalsContact O-N 3.12Å; R823-D825 PolarHBondContact O-N 3.43Å; R823-K826 PolarHBondContact O-N 2.85Å; R823-K826 VanDerWaalsContact O-N 3.07Å; R823-E827 IonicContact CZ-OE1 2.99Å; R823-E827 IonicContact CZ-OE2 2.94Å; R823-E827 IonicContact NE-OE2 3.18Å; R823-E827 PolarHBondContact NE-OE2 3.12Å; R823-E827 VanDerWaalsContact NH2-CD 3.27Å; R823-E827 IonicContact NH2-OE1 3.01Å; R823-E827 PolarHBondContact NH2-OE1 3.38Å; R823-E827 IonicContact NH2-OE2 3.88Å; R823-E827 PolarHBondContact NH2-OE2 3.4Å; R823-E827 PolarHBondContact O-N 2.99Å |
| 824 | E | 74.8 | Confident | 74.5 | Confident | 123 Ų | 123 | 114.5 Ų | 114.5 | 58% | 0.575 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.5 | -46.3 | -175.9 | -67.6 | 172.6 | 156.5 | 0 | 0 | 111 | Q820 K821 K826 E827 E828 | Q820-E824 PolarHBondContact O-N 3.27Å; K821-E824 PolarHBondContact O-N 3.26Å; K821-E824 VanDerWaalsContact O-N 3.11Å; E824-K826 PolarHBondContact O-N 2.87Å; E824-E827 PolarHBondContact O-N 3.45Å; E824-E827 VanDerWaalsContact O-N 3.08Å; E824-E828 PolarHBondContact O-N 2.87Å; E824-E828 VanDerWaalsContact O-N 3.12Å |
| 825 | D | 75.6 | Confident | 74.4 | Confident | 98 Ų | 98 | 114.9 Ų | 114.9 | 52% | 0.524 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.7 | -32.5 | 174.8 | -59.3 | -23.8 | 0 | 0 | 0 | 113 | K821 R823 T829 | K821-D825 PolarHBondContact O-N 2.88Å; R823-D825 PolarHBondContact O-N 3.43Å; D825-T829 PolarHBondContact O-OG1 3.02Å |
| 826 | K | 74.6 | Confident | 74 | Confident | 117 Ų | 117 | 113.8 Ų | 113.8 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -82.6 | -26 | 178.7 | -71.1 | 170.3 | -169.5 | 148.3 | 0 | 112.8 | E822 R823 E824 T829 I830 | E822-K826 VanDerWaalsContact O-CD 3.27Å; E822-K826 WeakPolarHBondContact O-CD 3.48Å; E822-K826 WeakPolarHBondContact O-CG 3.36Å; E822-K826 IonicContact OE2-NZ 2.65Å; E822-K826 PolarHBondContact OE2-NZ 3.18Å; R823-K826 PolarHBondContact O-N 2.85Å; R823-K826 VanDerWaalsContact O-N 3.07Å; E824-K826 PolarHBondContact O-N 2.87Å; K826-T829 WeakPolarHBondContact CA-OG1 3.36Å; K826-T829 PolarHBondContact O-OG1 2.84Å; K826-I830 WeakPolarHBondContact O-CD1 3.35Å; K826-I830 WeakPolarHBondContact O-CG1 3.49Å; K826-I830 PolarHBondContact O-N 2.89Å |
| 827 | E | 73.1 | Confident | 73.6 | Confident | 97 Ų | 97 | 114.6 Ų | 114.6 | 45% | 0.453 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -78 | -33.9 | 177.2 | -139.3 | 144.1 | 158.2 | 0 | 0 | 111.1 | R823 E824 I830 D831 | R823-E827 IonicContact CZ-OE1 2.99Å; R823-E827 IonicContact CZ-OE2 2.94Å; R823-E827 IonicContact NE-OE2 3.18Å; R823-E827 PolarHBondContact NE-OE2 3.12Å; R823-E827 VanDerWaalsContact NH2-CD 3.27Å; R823-E827 IonicContact NH2-OE1 3.01Å; R823-E827 PolarHBondContact NH2-OE1 3.38Å; R823-E827 IonicContact NH2-OE2 3.88Å; R823-E827 PolarHBondContact NH2-OE2 3.4Å; R823-E827 PolarHBondContact O-N 2.99Å; E824-E827 PolarHBondContact O-N 3.45Å; E824-E827 VanDerWaalsContact O-N 3.08Å; E827-I830 PolarHBondContact O-N 3.38Å; E827-D831 PolarHBondContact O-N 3.11Å |
| 828 | E | 71.8 | Confident | 73.4 | Confident | 147 Ų | 147 | 110.5 Ų | 110.5 | 69% | 0.687 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | 173 | -168.3 | 170.3 | -121.5 | 0 | 0 | 112.4 | E824 I830 D831 | E824-E828 PolarHBondContact O-N 2.87Å; E824-E828 VanDerWaalsContact O-N 3.12Å; E828-I830 VanDerWaalsContact C-N 3.32Å; E828-I830 PolarHBondContact O-N 2.93Å; E828-D831 PolarHBondContact O-N 2.99Å |
| 829 | T | 72.9 | Confident | 73.2 | Confident | 78 Ų | 78 | 115.3 Ų | 115.3 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.7 | -28.6 | 175.3 | 30.3 | 0 | 0 | 0 | 0 | 113.5 | D825 K826 L833 | D825-T829 PolarHBondContact O-OG1 3.02Å; K826-T829 WeakPolarHBondContact CA-OG1 3.36Å; K826-T829 PolarHBondContact O-OG1 2.84Å; T829-L833 PolarHBondContact O-N 2.89Å |
| 830 | I | 72.7 | Confident | 72.7 | Confident | 82 Ų | 82 | 114.3 Ų | 114.3 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 173.5 | -74.5 | 167.7 | 0 | 0 | 0 | 111.7 | K826 E827 E828 I832 L833 R834 | K826-I830 WeakPolarHBondContact O-CD1 3.35Å; K826-I830 WeakPolarHBondContact O-CG1 3.49Å; K826-I830 PolarHBondContact O-N 2.89Å; E827-I830 PolarHBondContact O-N 3.38Å; E828-I830 VanDerWaalsContact C-N 3.32Å; E828-I830 PolarHBondContact O-N 2.93Å; I830-I832 VanDerWaalsContact C-N 3.32Å; I830-I832 PolarHBondContact O-N 3.35Å; I830-L833 PolarHBondContact O-N 3.26Å; I830-R834 WeakPolarHBondContact O-CG 3.41Å; I830-R834 PolarHBondContact O-N 3.4Å; I830-R834 VanDerWaalsContact O-N 3.12Å |
| 831 | D | 74.9 | Confident | 72.3 | Confident | 67 Ų | 67 | 112.9 Ų | 112.9 | 36% | 0.358 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -74.8 | -21.7 | -178.4 | -157.3 | 67.1 | 0 | 0 | 0 | 113.6 | E827 E828 K835 | E827-D831 PolarHBondContact O-N 3.11Å; E828-D831 PolarHBondContact O-N 2.99Å; D831-K835 IonicContact OD2-NZ 2.68Å; D831-K835 PolarHBondContact OD2-NZ 2.99Å |
| 832 | I | 73.7 | Confident | 71.9 | Confident | 102 Ų | 102 | 113.1 Ų | 113.1 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.5 | -51.4 | 168 | -61.3 | 173.8 | 0 | 0 | 0 | 109.8 | I830 R834 K835 | I830-I832 VanDerWaalsContact C-N 3.32Å; I830-I832 PolarHBondContact O-N 3.35Å; I832-R834 VanDerWaalsContact C-N 3.27Å; I832-R834 PolarHBondContact O-N 3.38Å; I832-K835 WeakPolarHBondContact O-CB 3.37Å; I832-K835 PolarHBondContact O-N 2.89Å |
| 833 | L | 70.1 | Confident | 71.6 | Confident | 110 Ų | 110 | 113.4 Ų | 113.4 | 58% | 0.576 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.2 | -33.9 | -179.2 | -68.4 | 168.7 | 0 | 0 | 0 | 112.7 | T829 I830 K835 E836 L837 | T829-L833 PolarHBondContact O-N 2.89Å; I830-L833 PolarHBondContact O-N 3.26Å; L833-K835 PolarHBondContact O-N 3.02Å; L833-E836 PolarHBondContact O-N 3.14Å; L833-L837 PolarHBondContact O-N 3.16Å; L833-L837 VanDerWaalsContact O-N 3.17Å |
| 834 | R | 73.7 | Confident | 71.1 | Confident | 160 Ų | 160 | 114.1 Ų | 114.1 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.1 | -30 | 174.1 | -75.4 | 173.8 | 173.9 | 173.5 | -0.6 | 113.5 | I830 I832 S838 | I830-R834 WeakPolarHBondContact O-CG 3.41Å; I830-R834 PolarHBondContact O-N 3.4Å; I830-R834 VanDerWaalsContact O-N 3.12Å; I832-R834 VanDerWaalsContact C-N 3.27Å; I832-R834 PolarHBondContact O-N 3.38Å; R834-S838 PolarHBondContact O-N 3.13Å |
| 835 | K | 71.7 | Confident | 70.8 | Confident | 128 Ų | 128 | 115.1 Ų | 115.1 | 56% | 0.557 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -78.8 | -18.7 | 178.2 | -69.3 | 167.2 | 177.2 | 119.4 | 0 | 113.2 | D831 I832 L833 S838 | D831-K835 IonicContact OD2-NZ 2.68Å; D831-K835 PolarHBondContact OD2-NZ 2.99Å; I832-K835 WeakPolarHBondContact O-CB 3.37Å; I832-K835 PolarHBondContact O-N 2.89Å; L833-K835 PolarHBondContact O-N 3.02Å; K835-S838 PolarHBondContact O-OG 3.46Å |
| 836 | E | 69.1 | Low | 70.1 | Confident | 122 Ų | 122 | 117.6 Ų | 117.6 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -85.8 | -34 | 171.9 | -59.1 | -164 | 127.9 | 0 | 0 | 112.1 | L833 S838 R839 T840 | L833-E836 PolarHBondContact O-N 3.14Å; E836-S838 VanDerWaalsContact C-N 3.35Å; E836-S838 PolarHBondContact O-N 3.48Å; E836-R839 PolarHBondContact O-N 3Å; E836-T840 PolarHBondContact O-N 3.1Å; E836-T840 PolarHBondContact O-OG1 3.35Å |
| 837 | L | 68.4 | Low | 69.4 | Low | 116 Ų | 116 | 117.9 Ų | 117.9 | 61% | 0.607 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.3 | -40 | 176.4 | -164.8 | 73.1 | 0 | 0 | 0 | 112.5 | L833 R839 T840 E841 | L833-L837 PolarHBondContact O-N 3.16Å; L833-L837 VanDerWaalsContact O-N 3.17Å; L837-R839 VanDerWaalsContact C-N 3.33Å; L837-R839 PolarHBondContact O-N 3.38Å; L837-T840 PolarHBondContact O-N 3.38Å; L837-T840 PolarHBondContact O-OG1 3.41Å; L837-E841 PolarHBondContact O-N 2.91Å |
| 838 | S | 71.3 | Confident | 68.7 | Low | 71 Ų | 71 | 117.1 Ų | 117.1 | 50% | 0.497 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66.4 | -32.3 | 179.8 | 64.1 | 0 | 0 | 0 | 0 | 113.4 | R834 K835 E836 Q842 | R834-S838 PolarHBondContact O-N 3.13Å; K835-S838 PolarHBondContact O-OG 3.46Å; E836-S838 VanDerWaalsContact C-N 3.35Å; E836-S838 PolarHBondContact O-N 3.48Å; S838-Q842 PolarHBondContact O-N 3.5Å |
| 839 | R | 70.8 | Confident | 68.2 | Low | 188 Ų | 188 | 116.2 Ų | 116.2 | 71% | 0.709 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.7 | -43.7 | 173.8 | -86.4 | -179.9 | 166.1 | 155.1 | -3.4 | 112.4 | E836 L837 Q842 | E836-R839 PolarHBondContact O-N 3Å; L837-R839 VanDerWaalsContact C-N 3.33Å; L837-R839 PolarHBondContact O-N 3.38Å; R839-Q842 PolarHBondContact O-N 3.42Å |
| 840 | T | 65.8 | Low | 67.5 | Low | 88 Ų | 88 | 120.4 Ų | 120.4 | 54% | 0.54 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.8 | -34.3 | -179.5 | 42.9 | 0 | 0 | 0 | 0 | 112.2 | E836 L837 Q842 I843 R844 | E836-T840 PolarHBondContact O-N 3.1Å; E836-T840 PolarHBondContact O-OG1 3.35Å; L837-T840 PolarHBondContact O-N 3.38Å; L837-T840 PolarHBondContact O-OG1 3.41Å; T840-Q842 VanDerWaalsContact C-N 3.32Å; T840-Q842 PolarHBondContact O-N 3.28Å; T840-I843 PolarHBondContact O-N 2.94Å; T840-R844 PolarHBondContact O-N 3.02Å |
| 841 | E | 66.2 | Low | 66.8 | Low | 88 Ų | 88 | 119.1 Ų | 119.1 | 41% | 0.411 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -70.4 | -25.5 | 176 | -171 | 150.8 | -120.9 | 0 | 0 | 113.7 | L837 R844 | L837-E841 PolarHBondContact O-N 2.91Å; E841-R844 PolarHBondContact O-N 3.04Å; E841-R844 IonicContact OE1-CZ 2.64Å; E841-R844 IonicContact OE1-NH1 3.47Å; E841-R844 PolarHBondContact OE1-NH1 3.03Å; E841-R844 IonicContact OE1-NH2 2.8Å; E841-R844 PolarHBondContact OE1-NH2 3.37Å |
| 842 | Q | 68.1 | Low | 65.9 | Low | 142 Ų | 142 | 119.1 Ų | 119.1 | 66% | 0.664 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.4 | -40.7 | 175 | -163.1 | 163.3 | 4.1 | 0 | 0 | 111.9 | S838 R839 T840 R844 K845 | S838-Q842 PolarHBondContact O-N 3.5Å; R839-Q842 PolarHBondContact O-N 3.42Å; T840-Q842 VanDerWaalsContact C-N 3.32Å; T840-Q842 PolarHBondContact O-N 3.28Å; Q842-R844 VanDerWaalsContact C-N 3.3Å; Q842-R844 PolarHBondContact O-N 3.44Å; Q842-K845 PolarHBondContact O-N 3.07Å |
| 843 | I | 67.1 | Low | 65.3 | Low | 107 Ų | 107 | 118.4 Ų | 118.4 | 55% | 0.549 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.9 | -35.2 | 175.2 | -60.6 | 169.9 | 0 | 0 | 0 | 111.2 | T840 K845 E846 | T840-I843 PolarHBondContact O-N 2.94Å; I843-K845 PolarHBondContact O-N 3.2Å; I843-E846 PolarHBondContact O-N 3.33Å |
| 844 | R | 66.7 | Low | 64.7 | Low | 165 Ų | 165 | 119.1 Ų | 119.1 | 62% | 0.623 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.2 | -28.6 | 179.3 | -156.7 | 177.5 | 88.8 | -126.6 | 0.6 | 113 | T840 E841 Q842 S848 | T840-R844 PolarHBondContact O-N 3.02Å; E841-R844 PolarHBondContact O-N 3.04Å; E841-R844 IonicContact OE1-CZ 2.64Å; E841-R844 IonicContact OE1-NH1 3.47Å; E841-R844 PolarHBondContact OE1-NH1 3.03Å; E841-R844 IonicContact OE1-NH2 2.8Å; E841-R844 PolarHBondContact OE1-NH2 3.37Å; Q842-R844 VanDerWaalsContact C-N 3.3Å; Q842-R844 PolarHBondContact O-N 3.44Å; R844-S848 PolarHBondContact O-N 3.34Å |
| 845 | K | 68 | Low | 64 | Low | 144 Ų | 144 | 118.2 Ų | 118.2 | 63% | 0.626 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.9 | -35.4 | -178.1 | -71.2 | 180 | 178.7 | 176.1 | 0 | 113.3 | Q842 I843 S848 | Q842-K845 PolarHBondContact O-N 3.07Å; I843-K845 PolarHBondContact O-N 3.2Å; K845-S848 PolarHBondContact O-N 3.17Å |
| 846 | E | 61.3 | Low | 63.6 | Low | 150 Ų | 150 | 117.2 Ų | 117.2 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.3 | -39.1 | 179.8 | -63 | -171.4 | 152.5 | 0 | 0 | 112.3 | I843 S848 I849 | I843-E846 PolarHBondContact O-N 3.33Å; E846-S848 VanDerWaalsContact C-N 3.33Å; E846-S848 PolarHBondContact O-N 2.97Å; E846-I849 PolarHBondContact O-N 3.47Å |
| 847 | L | 59.5 | Low | 63 | Low | 123 Ų | 123 | 118.5 Ų | 118.5 | 64% | 0.644 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.8 | -36.1 | 175.6 | -71.1 | 169.4 | 0 | 0 | 0 | 112.2 | I849 K850 | L847-I849 PolarHBondContact O-N 3.17Å; L847-K850 PolarHBondContact O-N 3.31Å |
| 848 | S | 57.8 | Low | 62.5 | Low | 81 Ų | 81 | 118.8 Ų | 118.8 | 57% | 0.566 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.5 | -26.2 | 179.1 | -166.1 | 0 | 0 | 0 | 0 | 113.8 | R844 K845 E846 | R844-S848 PolarHBondContact O-N 3.34Å; K845-S848 PolarHBondContact O-N 3.17Å; E846-S848 VanDerWaalsContact C-N 3.33Å; E846-S848 PolarHBondContact O-N 2.97Å |
| 849 | I | 62.1 | Low | 61.9 | Low | 128 Ų | 128 | 118.8 Ų | 118.8 | 66% | 0.656 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79.2 | -20.4 | -178.7 | -65.8 | 168.9 | 0 | 0 | 0 | 111.7 | E846 L847 | E846-I849 PolarHBondContact O-N 3.47Å; L847-I849 PolarHBondContact O-N 3.17Å |
| 850 | K | 57.8 | Low | 61.2 | Low | 166 Ų | 166 | 117.7 Ų | 117.7 | 72% | 0.722 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -81.7 | -24.2 | 174.2 | -78.7 | -178.9 | 174.1 | 174.9 | 0 | 113.7 | L847 | L847-K850 PolarHBondContact O-N 3.31Å |
| 851 | A | 57.8 | Low | 60.8 | Low | 56 Ų | 56 | 120.3 Ų | 120.3 | 46% | 0.463 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -73.4 | -48.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S853 L854 | A851-S853 PolarHBondContact O-N 2.74Å; A851-S853 VanDerWaalsContact O-N 3.08Å; A851-L854 PolarHBondContact O-N 3.25Å; A851-L854 VanDerWaalsContact O-N 3.09Å |
| 852 | S | 57.6 | Low | 60.4 | Low | 67 Ų | 67 | 121.2 Ų | 121.2 | 47% | 0.469 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.5 | -16.2 | -174.4 | 53.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 853 | S | 60.2 | Low | 59.9 | Low | 86 Ų | 86 | 117.4 Ų | 117.4 | 60% | 0.601 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.1 | -33 | 174.3 | -170.2 | 0 | 0 | 0 | 0 | 112.8 | A851 | A851-S853 PolarHBondContact O-N 2.74Å; A851-S853 VanDerWaalsContact O-N 3.08Å |
| 854 | L | 57.4 | Low | 59.5 | Low | 125 Ų | 125 | 123 Ų | 123 | 65% | 0.654 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -87.6 | -28.2 | -172.4 | -71 | 167.6 | 0 | 0 | 0 | 113.3 | A851 V856 Q857 | A851-L854 PolarHBondContact O-N 3.25Å; A851-L854 VanDerWaalsContact O-N 3.09Å; L854-V856 VanDerWaalsContact C-N 3.31Å; L854-V856 PolarHBondContact O-N 3.28Å; L854-Q857 PolarHBondContact O-N 3.2Å |
| 855 | E | 59 | Low | 58.7 | Low | 141 Ų | 141 | 121.4 Ų | 121.4 | 66% | 0.659 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67.1 | -32.3 | -179.9 | -64.9 | -178 | 124.7 | 0 | 0 | 112.5 | Q857 K858 | E855-Q857 PolarHBondContact O-N 3.3Å; E855-K858 PolarHBondContact O-N 3.27Å; E855-K858 VanDerWaalsContact O-N 3.1Å |
| 856 | V | 63.9 | Low | 58.2 | Low | 107 Ų | 107 | 122.1 Ų | 122.1 | 65% | 0.648 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.4 | -29.8 | -179.5 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | L854 | L854-V856 VanDerWaalsContact C-N 3.31Å; L854-V856 PolarHBondContact O-N 3.28Å |
| 857 | Q | 56.4 | Low | 58.1 | Low | 149 Ų | 149 | 123.7 Ų | 123.7 | 70% | 0.696 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -78.4 | -19.3 | 177.8 | -69 | -170.4 | -16.5 | 0 | 0 | 113.7 | L854 E855 | L854-Q857 PolarHBondContact O-N 3.2Å; E855-Q857 PolarHBondContact O-N 3.3Å |
| 858 | K | 57.7 | Low | 57.8 | Low | 123 Ų | 123 | 126.4 Ų | 126.4 | 54% | 0.535 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -75.9 | -46.4 | 179.5 | -172.8 | 176.1 | -179.2 | -78.5 | 0 | 111.9 | E855 Q860 L861 E862 | E855-K858 PolarHBondContact O-N 3.27Å; E855-K858 VanDerWaalsContact O-N 3.1Å; K858-Q860 VanDerWaalsContact C-N 3.25Å; K858-Q860 PolarHBondContact O-N 3.34Å; K858-Q860 VanDerWaalsContact O-N 3.13Å; K858-L861 PolarHBondContact O-N 3.17Å; K858-E862 WeakPolarHBondContact CE-OE1 3.13Å; K858-E862 IonicContact NZ-OE1 2.98Å; K858-E862 PolarHBondContact NZ-OE1 2.85Å; K858-E862 IonicContact NZ-OE2 3.43Å; K858-E862 PolarHBondContact NZ-OE2 2.98Å |
| 859 | A | 59 | Low | 57.8 | Low | 70 Ų | 70 | 130 Ų | 130 | 58% | 0.579 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -64.2 | -20.8 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 860 | Q | 56.8 | Low | 57.6 | Low | 165 Ų | 165 | 128 Ų | 128 | 77% | 0.771 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -80.6 | -13 | -179.4 | -75.6 | -169 | -26.5 | 0 | 0 | 114.9 | K858 | K858-Q860 VanDerWaalsContact C-N 3.25Å; K858-Q860 PolarHBondContact O-N 3.34Å; K858-Q860 VanDerWaalsContact O-N 3.13Å |
| 861 | L | 55.7 | Low | 57.5 | Low | 143 Ų | 143 | 126.5 Ų | 126.5 | 75% | 0.749 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -96.9 | -33.3 | -178.7 | -73.3 | 170 | 0 | 0 | 0 | 113.4 | K858 | K858-L861 PolarHBondContact O-N 3.17Å |
| 862 | E | 58.4 | Low | 57.4 | Low | 107 Ų | 107 | 128.6 Ų | 128.6 | 50% | 0.5 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -71.7 | -39.4 | -173.9 | -63.7 | 175.7 | 135 | 0 | 0 | 111.7 | K858 R864 L865 | K858-E862 WeakPolarHBondContact CE-OE1 3.13Å; K858-E862 IonicContact NZ-OE1 2.98Å; K858-E862 PolarHBondContact NZ-OE1 2.85Å; K858-E862 IonicContact NZ-OE2 3.43Å; K858-E862 PolarHBondContact NZ-OE2 2.98Å; E862-R864 PolarHBondContact O-N 3.03Å; E862-L865 PolarHBondContact O-N 3.14Å |
| 863 | G | 58.7 | Low | 57.4 | Low | 62 Ų | 62 | 134.1 Ų | 134.1 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 0.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 864 | R | 56.9 | Low | 57.3 | Low | 225 Ų | 225 | 137 Ų | 137 | 85% | 0.849 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 0.7 | 176.5 | -73.3 | -171 | 67 | -179 | -0.4 | 114.4 | E862 | E862-R864 PolarHBondContact O-N 3.03Š|
| 865 | L | 50.6 | Low | 57.1 | Low | 131 Ų | 131 | 138.2 Ų | 138.2 | 69% | 0.686 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -47.8 | -174.3 | -134 | 72.1 | 0 | 0 | 0 | 113.7 | E862 E867 K868 | E862-L865 PolarHBondContact O-N 3.14Å; L865-E867 PolarHBondContact O-N 3.29Å; L865-K868 PolarHBondContact O-N 3.08Å |
| 866 | E | 57.7 | Low | 57.1 | Low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -72.7 | -29.7 | -163.1 | -63.5 | -173.2 | 125.1 | 0 | 0 | 115.5 | K868 E869 | E866-K868 PolarHBondContact O-N 2.97Å; E866-K868 VanDerWaalsContact O-N 3.08Å; E866-E869 PolarHBondContact O-N 2.87Å |
| 867 | E | 58.9 | Low | 56.7 | Low | 183 Ų | 183 | 139.9 Ų | 139.9 | 86% | 0.855 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -62.4 | -17.7 | 178.7 | -81.4 | -164.1 | 139.3 | 0 | 0 | 113.7 | L865 | L865-E867 PolarHBondContact O-N 3.29Š|
| 868 | K | 54.6 | Low | 56.8 | Low | 180 Ų | 180 | 139.6 Ų | 139.6 | 78% | 0.783 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -91.5 | -17.6 | -174.6 | -109.2 | -162 | 173.7 | -164.3 | 0 | 116.2 | L865 E866 | L865-K868 PolarHBondContact O-N 3.08Å; E866-K868 PolarHBondContact O-N 2.97Å; E866-K868 VanDerWaalsContact O-N 3.08Å |
| 869 | E | 56.6 | Low | 56.6 | Low | 157 Ų | 157 | 140.3 Ų | 140.3 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -21.7 | -174.5 | -65.7 | -158.4 | 115.9 | 0 | 0 | 114.3 | E866 | E866-E869 PolarHBondContact O-N 2.87Š|
| 870 | S | 57.1 | Low | 56.5 | Low | 86 Ų | 86 | 142.2 Ų | 142.2 | 60% | 0.601 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -46.7 | -165.5 | 58.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 871 | L | 56 | Low | 56.3 | Low | 134 Ų | 134 | 140.8 Ų | 140.8 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -19.1 | -171.3 | -134.3 | 74.6 | 0 | 0 | 0 | 115 | K873 L874 | L871-K873 PolarHBondContact O-N 2.98Å; L871-L874 PolarHBondContact O-N 3.07Å; L871-L874 VanDerWaalsContact O-N 3.11Å |
| 872 | V | 57.3 | Low | 56.1 | Low | 101 Ų | 101 | 140.6 Ų | 140.6 | 61% | 0.612 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -63.1 | -29.7 | 179.8 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | L874 | V872-L874 VanDerWaalsContact C-N 3.32Å; V872-L874 PolarHBondContact O-N 3.49Å |
| 873 | K | 56.5 | Low | 55.5 | Low | 182 Ų | 182 | 139.1 Ų | 139.1 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -71.7 | -19 | 176.3 | -81.9 | 177.3 | 176.2 | 166.8 | 0 | 114.5 | L871 | L871-K873 PolarHBondContact O-N 2.98Š|
| 874 | L | 58.2 | Low | 55.2 | Low | 147 Ų | 147 | 144.1 Ų | 144.1 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -81.9 | -11.5 | -176.9 | -142.6 | 79.3 | 0 | 0 | 0 | 113.9 | L871 V872 Q876 | L871-L874 PolarHBondContact O-N 3.07Å; L871-L874 VanDerWaalsContact O-N 3.11Å; V872-L874 VanDerWaalsContact C-N 3.32Å; V872-L874 PolarHBondContact O-N 3.49Å; L874-Q876 VanDerWaalsContact C-N 3.31Å; L874-Q876 PolarHBondContact O-N 3.34Å |
| 875 | Q | 54.2 | Low | 54.4 | Low | 150 Ų | 150 | 139.9 Ų | 139.9 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -72.3 | -16.9 | -178.3 | -79.8 | -168.6 | -58.4 | 0 | 0 | 114.8 | ||
| 876 | Q | 58.7 | Low | 54.2 | Low | 125 Ų | 125 | 139.2 Ų | 139.2 | 58% | 0.584 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -97.2 | -17.1 | -155 | -153 | 62.1 | 19.7 | 0 | 0 | 116.3 | L874 N880 | L874-Q876 VanDerWaalsContact C-N 3.31Å; L874-Q876 PolarHBondContact O-N 3.34Å; Q876-N880 PolarHBondContact O-ND2 3.21Å |
| 877 | E | 55.7 | Low | 53.5 | Low | 158 Ų | 158 | 135.9 Ų | 135.9 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -97.4 | -44.5 | -169.2 | -63.3 | -162.9 | 147 | 0 | 0 | 114.9 | L879 N880 | E877-L879 VanDerWaalsContact C-N 3.31Å; E877-L879 PolarHBondContact O-N 3.24Å; E877-N880 PolarHBondContact O-N 2.97Å |
| 878 | E | 57.6 | Low | 52.8 | Low | 144 Ų | 144 | 135.8 Ų | 135.8 | 67% | 0.673 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -66.8 | -32.3 | 179.9 | -81.4 | -69.5 | 103.3 | 0 | 0 | 112.7 | N880 K881 | E878-N880 PolarHBondContact O-N 3.05Å; E878-N880 VanDerWaalsContact O-N 3.14Å; E878-K881 PolarHBondContact O-N 3.04Å; E878-K881 IonicContact OE1-NZ 2.81Å; E878-K881 PolarHBondContact OE1-NZ 3.02Å |
| 879 | L | 54.3 | Low | 52.2 | Low | 137 Ų | 137 | 134.3 Ų | 134.3 | 72% | 0.717 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -60.5 | -26.1 | -179.5 | -159.4 | 75.3 | 0 | 0 | 0 | 113.2 | E877 | E877-L879 VanDerWaalsContact C-N 3.31Å; E877-L879 PolarHBondContact O-N 3.24Å |
| 880 | N | 55.5 | Low | 51.5 | Low | 111 Ų | 111 | 134.6 Ų | 134.6 | 59% | 0.594 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -87.7 | -19.3 | -173.7 | -82.9 | -57.5 | 0 | 0 | 0 | 114.7 | Q876 E877 E878 | Q876-N880 PolarHBondContact O-ND2 3.21Å; E877-N880 PolarHBondContact O-N 2.97Å; E878-N880 PolarHBondContact O-N 3.05Å; E878-N880 VanDerWaalsContact O-N 3.14Å |
| 881 | K | 54.3 | Low | 50.7 | Low | 135 Ų | 135 | 134.4 Ų | 134.4 | 59% | 0.587 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -50.5 | -169.1 | -78.8 | 178.5 | -169.9 | 151.3 | 0 | 114.5 | E878 | E878-K881 PolarHBondContact O-N 3.04Å; E878-K881 IonicContact OE1-NZ 2.81Å; E878-K881 PolarHBondContact OE1-NZ 3.02Å |
| 882 | H | 51 | Low | 49.8 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 64% | 0.639 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -121.2 | 19.2 | -170.2 | -82.7 | 12.2 | 0 | 0 | 0 | 115.8 | H884 M885 | H882-H884 PolarHBondContact O-N 3.11Å; H882-M885 PolarHBondContact O-N 3.24Å |
| 883 | S | 46.3 | Very low | 48.8 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 54% | 0.538 | 71% | 0.711 | S | S | . | * | G | 310 helix | trans | -47.5 | -33 | 149 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | M885 I886 | S883-M885 PolarHBondContact O-N 2.77Å; S883-M885 VanDerWaalsContact O-N 3.1Å; S883-I886 PolarHBondContact O-N 3.48Å; S883-I886 VanDerWaalsContact O-N 3.16Å |
| 884 | H | 50.6 | Low | 47.9 | Very low | 167 Ų | 167 | 133 Ų | 133 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -62 | -9.9 | 173.6 | -101.6 | 78.1 | 0 | 0 | 0 | 116.5 | H882 | H882-H884 PolarHBondContact O-N 3.11Š|
| 885 | M | 40.9 | Very low | 47.1 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 67% | 0.665 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -87.1 | -22.6 | 174.1 | -163.2 | 174 | -70.9 | 0 | 0 | 113 | H882 S883 A887 | H882-M885 PolarHBondContact O-N 3.24Å; S883-M885 PolarHBondContact O-N 2.77Å; S883-M885 VanDerWaalsContact O-N 3.1Å; M885-A887 VanDerWaalsContact C-N 3.3Å; M885-A887 PolarHBondContact O-N 2.71Å |
| 886 | I | 47 | Very low | 46.2 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 61% | 0.605 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -25.9 | -173.4 | -66.3 | 176 | 0 | 0 | 0 | 112.5 | S883 | S883-I886 PolarHBondContact O-N 3.48Å; S883-I886 VanDerWaalsContact O-N 3.16Å |
| 887 | A | 41.7 | Very low | 45.4 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -24.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | M885 | M885-A887 VanDerWaalsContact C-N 3.3Å; M885-A887 PolarHBondContact O-N 2.71Å |
| 888 | M | 44.5 | Very low | 44.9 | Very low | 180 Ų | 180 | 133.2 Ų | 133.2 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -100.3 | -4.2 | -171.1 | -146.9 | 170.6 | -70.2 | 0 | 0 | 115 | ||
| 889 | I | 41.9 | Very low | 44.3 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -134.4 | 80.7 | 152.8 | -52.3 | -177.3 | 0 | 0 | 0 | 109.5 | ||
| 890 | H | 41.8 | Very low | 43.6 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | 67.9 | 91.5 | 156.7 | -73.3 | -101.4 | 0 | 0 | 0 | 121.7 | ||||
| 891 | S | 40.9 | Very low | 43 | Very low | 82 Ų | 82 | 134.2 Ų | 134.2 | 57% | 0.573 | 75% | 0.752 | S | S | * | * | 109.7 | 120.5 | 108.8 | 74.1 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 892 | L | 37.4 | Very low | 42.4 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 89% | 0.89 | 76% | 0.759 | S | S | * | * | trans | 99.9 | 113.7 | 147.3 | -62.4 | 165.3 | 0 | 0 | 0 | 124.6 | ||||
| 893 | S | 35.3 | Very low | 42.3 | Very low | 136 Ų | 136 | 134 Ų | 134 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | trans | 87.4 | 156.6 | 146.8 | -144 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 894 | G | 38.7 | Very low | 42.1 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 173.1 | -178.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 895 | G | 40 | Very low | 41.8 | Very low | 77 Ų | 77 | 134.2 Ų | 134.2 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 138.8 | 153 | 161.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 896 | K | 36.9 | Very low | 42.2 | Very low | 203 Ų | 203 | 139.6 Ų | 139.6 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | 84.1 | 162.7 | 162.6 | -63.3 | 176.1 | 173.4 | 179.8 | 0 | 120.9 | ||||
| 897 | I | 41.5 | Very low | 42 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | cis | -166.1 | 168.2 | -15.5 | -102.8 | 172.1 | 0 | 0 | 0 | 112.2 | ||||
| 898 | N | 44.8 | Very low | 42 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -163.5 | 140.8 | -176.6 | -159.4 | 27.7 | 0 | 0 | 0 | 119.3 | ||||
| 899 | P | 45 | Very low | 41.8 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -165.2 | 166.7 | 139.7 | 41.9 | -20.6 | 0 | 0 | 0 | 123.3 | ||||
| 900 | E | 39.3 | Very low | 41.8 | Very low | 177 Ų | 177 | 140.9 Ų | 140.9 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | trans | 67.5 | 135.8 | 139.7 | -79.4 | -178.2 | -176.6 | 0 | 0 | 133.3 | ||||
| 901 | T | 42.2 | Very low | 41.8 | Very low | 123 Ų | 123 | 139.5 Ų | 139.5 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | 84.6 | 133.2 | 136.8 | 54.8 | 0 | 0 | 0 | 0 | 131.8 | ||||
| 902 | V | 43.6 | Very low | 41.9 | Very low | 122 Ų | 122 | 143.3 Ų | 143.3 | 74% | 0.739 | 84% | 0.836 | S | S | * | * | trans | 23.7 | 143.3 | 142.5 | -168.7 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 903 | N | 47.1 | Very low | 42.2 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 83% | 0.832 | S | S | * | * | trans | 165.9 | 175.2 | 142.2 | -91.7 | -52.5 | 0 | 0 | 0 | 114.1 | ||||
| 904 | L | 43.9 | Very low | 42.7 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 76% | 0.764 | 82% | 0.823 | S | S | * | * | -163.6 | 142.7 | -57.1 | -121.5 | -171.1 | 0 | 0 | 0 | 115.9 | |||||
| 905 | S | 43.6 | Very low | 43.1 | Very low | 103 Ų | 103 | 147 Ų | 147 | 72% | 0.72 | 82% | 0.823 | S | S | * | * | trans | 62 | 143.6 | 151.3 | 61.8 | 0 | 0 | 0 | 0 | 128.2 | ||||
| 906 | I | 49 | Very low | 43.4 | Very low | 249 Ų | 249 | 153.4 Ų | 153.4 | 100% | 1.277 | 83% | 0.825 | S | S | * | * | trans | 66.6 | 0 | 174.1 | -52.7 | -174.4 | 0 | 0 | 0 | 116.5 |
Retrieved 906 of 906 residues in 6560.9 ms
(Link to these results)