| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.9 | Very low | 81.3 | Confident | 233 Ų | 233 | 90.7 Ų | 90.7 | 100% | 1.148 | 50% | 0.497 | S | S | * | . | 0 | 129 | 0 | -63.8 | 178.8 | -162.2 | 0 | 0 | 106.1 | V3 | M1-V3 PolarHBondContact O-N 3.38Š| |||
| 2 | A | 57.8 | Low | 82.6 | Confident | 109 Ų | 109 | 83.2 Ų | 83.2 | 90% | 0.901 | 46% | 0.456 | S | S | * | . | trans | -64.9 | 109.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | D4 | A2-D4 PolarHBondContact O-N 2.84Š| ||
| 3 | V | 68.4 | Low | 83.8 | Confident | 82 Ų | 82 | 76.8 Ų | 76.8 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | trans | -73 | 121 | 179.3 | -169.5 | 0 | 0 | 0 | 0 | 107.5 | M1 H5 L8 | M1-V3 PolarHBondContact O-N 3.38Å; V3-H5 PolarHBondContact O-N 2.94Å; V3-H5 VanDerWaalsContact O-N 3.08Å; V3-H5 PolarHBondContact O-ND1 3.02Å; V3-L8 HydrophobicContact CB-CD1 4.09Å; V3-L8 HydrophobicContact CG1-CD1 3.27Å; V3-L8 HydrophobicContact CG1-CD2 4.01Å; V3-L8 HydrophobicContact CG1-CG 3.4Å; V3-L8 VanDerWaalsContact CG1-CG 3.4Å | ||
| 4 | D | 86.1 | Confident | 84.7 | Confident | 91 Ų | 91 | 82.4 Ų | 82.4 | 49% | 0.487 | 44% | 0.439 | S | S | . | . | trans | -64.3 | 111.5 | 175.8 | -177.8 | -3.9 | 0 | 0 | 0 | 108.7 | A2 A6 E7 L8 | A2-D4 PolarHBondContact O-N 2.84Å; D4-A6 PolarHBondContact O-N 2.72Å; D4-A6 WeakPolarHBondContact OD1-CB 3.28Å; D4-A6 PolarHBondContact OD1-N 3.03Å; D4-E7 HydrophobicContact CB-CB 3.91Å; D4-E7 PolarHBondContact O-N 2.69Å; D4-E7 VanDerWaalsContact O-N 3.12Å; D4-L8 PolarHBondContact O-N 3.16Å | ||
| 5 | H | 87.1 | Confident | 85.6 | Confident | 70 Ų | 70 | 77.3 Ų | 77.3 | 32% | 0.324 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.7 | -32.9 | -179.2 | -75.8 | 56 | 0 | 0 | 0 | 111.4 | V3 L9 | V3-H5 PolarHBondContact O-N 2.94Å; V3-H5 VanDerWaalsContact O-N 3.08Å; V3-H5 PolarHBondContact O-ND1 3.02Å; H5-L9 VanDerWaalsContact O-CB 3.26Å; H5-L9 WeakPolarHBondContact O-CB 3.38Å; H5-L9 PolarHBondContact O-N 2.93Å |
| 6 | A | 87.9 | Confident | 86.4 | Confident | 46 Ų | 46 | 72.5 Ų | 72.5 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -70 | -36.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D4 K10 | D4-A6 PolarHBondContact O-N 2.72Å; D4-A6 WeakPolarHBondContact OD1-CB 3.28Å; D4-A6 PolarHBondContact OD1-N 3.03Å; A6-K10 VanDerWaalsContact O-CG 3.29Å; A6-K10 WeakPolarHBondContact O-CG 3.34Å; A6-K10 PolarHBondContact O-N 3.19Å; A6-K10 VanDerWaalsContact O-N 3.07Å |
| 7 | E | 90.4 | Very high | 87.1 | Confident | 113 Ų | 113 | 70.6 Ų | 70.6 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.6 | -47.6 | 174.6 | -169.2 | 178.9 | -175.6 | 0 | 0 | 111.2 | D4 L9 K10 L11 | D4-E7 HydrophobicContact CB-CB 3.91Å; D4-E7 PolarHBondContact O-N 2.69Å; D4-E7 VanDerWaalsContact O-N 3.12Å; E7-L9 VanDerWaalsContact C-N 3.28Å; E7-L9 PolarHBondContact O-N 2.71Å; E7-K10 WeakPolarHBondContact O-CB 3.35Å; E7-K10 PolarHBondContact O-N 3.08Å; E7-K10 VanDerWaalsContact O-N 3.17Å; E7-L11 HydrophobicContact CG-CD1 4.36Å; E7-L11 WeakPolarHBondContact O-CG 3.2Å; E7-L11 PolarHBondContact O-N 3.3Å |
| 8 | L | 92.2 | Very high | 87.7 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 8% | 0.079 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.8 | -41.5 | 174.7 | -82 | 178.3 | 0 | 0 | 0 | 112.2 | V3 D4 L11 T12 L306 L309 L356 | V3-L8 HydrophobicContact CB-CD1 4.09Å; V3-L8 HydrophobicContact CG1-CD1 3.27Å; V3-L8 HydrophobicContact CG1-CD2 4.01Å; V3-L8 HydrophobicContact CG1-CG 3.4Å; V3-L8 VanDerWaalsContact CG1-CG 3.4Å; D4-L8 PolarHBondContact O-N 3.16Å; L8-L11 PolarHBondContact O-N 3.26Å; L8-T12 WeakPolarHBondContact O-CB 3.44Å; L8-T12 PolarHBondContact O-N 2.95Å; L8-T12 PolarHBondContact O-OG1 2.7Å; L8-L306 HydrophobicContact CD1-CD2 4.46Å; L8-L309 HydrophobicContact CD2-CD2 4.34Å; L8-L356 HydrophobicContact CB-CD1 4.09Å; L8-L356 HydrophobicContact CB-CD2 4.09Å; L8-L356 HydrophobicContact CD1-CD2 4.26Å |
| 9 | L | 93.8 | Very high | 88.2 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.099 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 177.3 | 178.5 | 59 | 0 | 0 | 0 | 111.1 | H5 E7 L11 T12 I13 L62 I353 L356 A357 | H5-L9 VanDerWaalsContact O-CB 3.26Å; H5-L9 WeakPolarHBondContact O-CB 3.38Å; H5-L9 PolarHBondContact O-N 2.93Å; E7-L9 VanDerWaalsContact C-N 3.28Å; E7-L9 PolarHBondContact O-N 2.71Å; L9-L11 PolarHBondContact O-N 3.24Å; L9-T12 PolarHBondContact O-N 2.93Å; L9-I13 HydrophobicContact CD1-CD1 3.97Å; L9-I13 HydrophobicContact CD1-CG1 4.27Å; L9-I13 HydrophobicContact CG-CD1 4Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 3.32Å; L9-L62 HydrophobicContact CD2-CD1 3.93Å; L9-L62 HydrophobicContact CD2-CD2 3.7Å; L9-L62 HydrophobicContact CD2-CG 4.46Å; L9-L62 HydrophobicContact CG-CD1 4.38Å; L9-I353 HydrophobicContact CD1-CB 4.3Å; L9-I353 HydrophobicContact CD1-CG1 4.39Å; L9-I353 HydrophobicContact CD1-CG2 3.93Å; L9-L356 HydrophobicContact CB-CB 4.23Å; L9-L356 HydrophobicContact CB-CD1 4.4Å; L9-L356 HydrophobicContact CD1-CB 4.07Å; L9-A357 HydrophobicContact CD2-CB 4.38Å |
| 10 | K | 93.7 | Very high | 88.7 | Confident | 140 Ų | 140 | 62.4 Ų | 62.4 | 61% | 0.609 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.6 | -44 | 175.6 | -73.3 | 170.4 | -176.3 | 172.4 | 0 | 112 | A6 E7 I13 K14 | A6-K10 VanDerWaalsContact O-CG 3.29Å; A6-K10 WeakPolarHBondContact O-CG 3.34Å; A6-K10 PolarHBondContact O-N 3.19Å; A6-K10 VanDerWaalsContact O-N 3.07Å; E7-K10 WeakPolarHBondContact O-CB 3.35Å; E7-K10 PolarHBondContact O-N 3.08Å; E7-K10 VanDerWaalsContact O-N 3.17Å; K10-I13 PolarHBondContact O-N 2.99Å; K10-K14 WeakPolarHBondContact O-CB 3.26Å; K10-K14 PolarHBondContact O-N 2.93Å |
| 11 | L | 95.3 | Very high | 89.1 | Confident | 80 Ų | 80 | 62.8 Ų | 62.8 | 42% | 0.419 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.9 | -71.5 | 173.4 | 0 | 0 | 0 | 111.6 | E7 L8 L9 K14 A15 L313 | E7-L11 HydrophobicContact CG-CD1 4.36Å; E7-L11 WeakPolarHBondContact O-CG 3.2Å; E7-L11 PolarHBondContact O-N 3.3Å; L8-L11 PolarHBondContact O-N 3.26Å; L9-L11 PolarHBondContact O-N 3.24Å; L11-K14 PolarHBondContact O-N 3.38Å; L11-A15 WeakPolarHBondContact O-CB 2.95Å; L11-A15 PolarHBondContact O-N 3.25Å; L11-L313 HydrophobicContact CB-CD1 4.39Å |
| 12 | T | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -41.7 | 179.3 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | L8 L9 A15 L16 L309 L349 I353 | L8-T12 WeakPolarHBondContact O-CB 3.44Å; L8-T12 PolarHBondContact O-N 2.95Å; L8-T12 PolarHBondContact O-OG1 2.7Å; L9-T12 PolarHBondContact O-N 2.93Å; T12-A15 PolarHBondContact O-N 3.21Å; T12-L16 PolarHBondContact O-N 3.43Å; T12-L309 HydrophobicContact CG2-CD1 4.34Å; T12-L349 HydrophobicContact CG2-CB 4.26Å; T12-L349 HydrophobicContact CG2-CD2 3.72Å; T12-I353 HydrophobicContact CG2-CD1 4.31Å; T12-I353 HydrophobicContact CG2-CG1 3.62Å |
| 13 | I | 97.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 173.8 | -66.8 | 166.4 | 0 | 0 | 0 | 110.4 | L9 K10 A15 L16 C17 L62 Q65 L66 V69 I353 | L9-I13 HydrophobicContact CD1-CD1 3.97Å; L9-I13 HydrophobicContact CD1-CG1 4.27Å; L9-I13 HydrophobicContact CG-CD1 4Å; L9-I13 VanDerWaalsContact O-CG1 3.29Å; L9-I13 WeakPolarHBondContact O-CG1 3.43Å; L9-I13 PolarHBondContact O-N 3.32Å; K10-I13 PolarHBondContact O-N 2.99Å; I13-A15 VanDerWaalsContact C-N 3.34Å; I13-A15 PolarHBondContact O-N 2.7Å; I13-L16 PolarHBondContact O-N 2.76Å; I13-C17 PolarHBondContact O-N 3.39Å; I13-C17 PolarHBondContact O-SG 2.92Å; I13-L62 HydrophobicContact CD1-CD1 3.58Å; I13-Q65 HydrophobicContact CG2-CG 4.24Å; I13-L66 HydrophobicContact CD1-CD2 4.14Å; I13-L66 HydrophobicContact CG1-CD2 4.38Å; I13-V69 HydrophobicContact CG2-CG2 4.28Å; I13-I353 HydrophobicContact CG1-CD1 3.88Å; I13-I353 HydrophobicContact CG1-CG1 4.03Å; I13-I353 HydrophobicContact CG1-CG2 4.4Å |
| 14 | K | 97.3 | Very high | 95 | Very high | 154 Ų | 154 | 46.3 Ų | 46.3 | 67% | 0.67 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -60.7 | -42.9 | 177 | -174.8 | -178.5 | 177.6 | -174.7 | 0 | 111.7 | K10 L11 C17 S18 | K10-K14 WeakPolarHBondContact O-CB 3.26Å; K10-K14 PolarHBondContact O-N 2.93Å; L11-K14 PolarHBondContact O-N 3.38Å; K14-C17 PolarHBondContact O-N 3.06Å; K14-S18 PolarHBondContact O-N 3.45Å |
| 15 | A | 97.9 | Very high | 95.5 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 5% | 0.05 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L11 T12 I13 C17 S18 V19 L313 Q316 L349 | L11-A15 WeakPolarHBondContact O-CB 2.95Å; L11-A15 PolarHBondContact O-N 3.25Å; T12-A15 PolarHBondContact O-N 3.21Å; I13-A15 VanDerWaalsContact C-N 3.34Å; I13-A15 PolarHBondContact O-N 2.7Å; A15-C17 PolarHBondContact O-N 3.02Å; A15-S18 WeakPolarHBondContact O-CB 3.06Å; A15-S18 PolarHBondContact O-N 3.44Å; A15-S18 VanDerWaalsContact O-N 3.17Å; A15-V19 PolarHBondContact O-N 3.07Å; A15-L313 HydrophobicContact CB-CD2 3.6Å; A15-Q316 PolarHBondContact O-NE2 3.24Å; A15-L349 HydrophobicContact CB-CD1 4.09Å; A15-L349 HydrophobicContact CB-CD2 4.35Å |
| 16 | L | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.6 | -179.7 | 62.6 | 0 | 0 | 0 | 111.8 | T12 I13 S18 V19 L20 I41 V69 L349 V350 I353 | T12-L16 PolarHBondContact O-N 3.43Å; I13-L16 PolarHBondContact O-N 2.76Å; L16-S18 VanDerWaalsContact C-N 3.25Å; L16-S18 PolarHBondContact O-N 2.99Å; L16-V19 WeakPolarHBondContact O-CB 3.02Å; L16-V19 PolarHBondContact O-N 2.99Å; L16-V19 VanDerWaalsContact O-N 3.16Å; L16-L20 HydrophobicContact CD1-CG 4.49Å; L16-L20 HydrophobicContact CG-CD1 4.32Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 3.06Å; L16-I41 HydrophobicContact CD1-CD1 4.07Å; L16-I41 HydrophobicContact CD2-CG2 4.22Å; L16-V69 HydrophobicContact CD2-CG1 4.1Å; L16-L349 HydrophobicContact CB-CD1 4.44Å; L16-V350 HydrophobicContact CD1-CG2 4.34Å; L16-V350 HydrophobicContact CD2-CG2 3.56Å; L16-I353 HydrophobicContact CB-CD1 4.29Å; L16-I353 HydrophobicContact CD2-CD1 3.63Å |
| 17 | C | 98.3 | Very high | 96.2 | Very high | 41 Ų | 41 | 47.2 Ų | 47.2 | 28% | 0.277 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.1 | -37.2 | 175.4 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | I13 K14 A15 L20 S21 | I13-C17 PolarHBondContact O-N 3.39Å; I13-C17 PolarHBondContact O-SG 2.92Å; K14-C17 PolarHBondContact O-N 3.06Å; A15-C17 PolarHBondContact O-N 3.02Å; C17-L20 PolarHBondContact O-N 2.99Å; C17-S21 WeakPolarHBondContact O-CB 3.04Å; C17-S21 PolarHBondContact O-N 3.12Å; C17-S21 PolarHBondContact O-OG 3.28Å |
| 18 | S | 98.1 | Very high | 96.3 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 25% | 0.245 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 174.9 | -163.8 | 0 | 0 | 0 | 0 | 111.5 | K14 A15 L16 L20 S21 F22 G320 | K14-S18 PolarHBondContact O-N 3.45Å; A15-S18 WeakPolarHBondContact O-CB 3.06Å; A15-S18 PolarHBondContact O-N 3.44Å; A15-S18 VanDerWaalsContact O-N 3.17Å; L16-S18 VanDerWaalsContact C-N 3.25Å; L16-S18 PolarHBondContact O-N 2.99Å; S18-L20 PolarHBondContact O-N 3.39Å; S18-S21 PolarHBondContact O-N 3.27Å; S18-F22 PolarHBondContact O-N 2.99Å; S18-G320 WeakPolarHBondContact OG-CA 3.29Å |
| 19 | V | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 173.1 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | A15 L16 S21 F22 C23 Q316 G320 Y322 T342 L349 | A15-V19 PolarHBondContact O-N 3.07Å; L16-V19 WeakPolarHBondContact O-CB 3.02Å; L16-V19 PolarHBondContact O-N 2.99Å; L16-V19 VanDerWaalsContact O-N 3.16Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 3.19Å; V19-F22 WeakPolarHBondContact O-CB 3.02Å; V19-F22 PolarHBondContact O-N 3.39Å; V19-C23 PolarHBondContact O-N 3.19Å; V19-C23 PolarHBondContact O-SG 2.67Å; V19-C23 VanDerWaalsContact O-SG 3.4Å; V19-Q316 VanDerWaalsContact CG2-NE2 3.31Å; V19-G320 WeakPolarHBondContact CA-O 3.02Å; V19-G320 VanDerWaalsContact CG2-O 3.28Å; V19-G320 WeakPolarHBondContact CG2-O 3.4Å; V19-Y322 HydrophobicContact CG2-CD2 4.38Å; V19-Y322 HydrophobicContact CG2-CE2 3.86Å; V19-T342 HydrophobicContact CB-CG2 4.49Å; V19-T342 HydrophobicContact CG1-CG2 3.38Å; V19-L349 HydrophobicContact CG2-CD1 4.23Å |
| 20 | L | 97.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -37.9 | -178.8 | -65.4 | 175.1 | 0 | 0 | 0 | 111.7 | L16 C17 S18 C23 S24 F38 V69 V73 L76 | L16-L20 HydrophobicContact CD1-CG 4.49Å; L16-L20 HydrophobicContact CG-CD1 4.32Å; L16-L20 WeakPolarHBondContact O-CG 3.31Å; L16-L20 PolarHBondContact O-N 3.06Å; C17-L20 PolarHBondContact O-N 2.99Å; S18-L20 PolarHBondContact O-N 3.39Å; L20-C23 PolarHBondContact O-N 3.01Å; L20-S24 WeakPolarHBondContact O-CB 3.24Å; L20-S24 PolarHBondContact O-N 2.72Å; L20-F38 HydrophobicContact CD2-CD1 4.33Å; L20-F38 HydrophobicContact CD2-CE1 4.5Å; L20-V69 HydrophobicContact CD1-CG1 3.77Å; L20-V73 HydrophobicContact CD1-CB 4.15Å; L20-V73 HydrophobicContact CD2-CB 4.05Å; L20-V73 HydrophobicContact CD2-CG2 3.76Å; L20-L76 HydrophobicContact CB-CD2 4.5Å; L20-L76 HydrophobicContact CD2-CD2 3.91Å |
| 21 | S | 97.7 | Very high | 96.1 | Very high | 70 Ų | 70 | 44.8 Ų | 44.8 | 49% | 0.49 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.2 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | C17 S18 V19 S24 N25 | C17-S21 WeakPolarHBondContact O-CB 3.04Å; C17-S21 PolarHBondContact O-N 3.12Å; C17-S21 PolarHBondContact O-OG 3.28Å; S18-S21 PolarHBondContact O-N 3.27Å; V19-S21 VanDerWaalsContact C-N 3.29Å; V19-S21 PolarHBondContact O-N 3.19Å; S21-S24 PolarHBondContact O-N 3.02Å; S21-N25 PolarHBondContact O-N 3.21Å; S21-N25 VanDerWaalsContact O-N 3.16Å; S21-N25 PolarHBondContact O-ND2 3.12Å |
| 22 | F | 97.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.4 | -52 | 173.7 | 172.7 | -103.3 | 0 | 0 | 0 | 111.6 | S18 V19 S24 N25 H26 T319 C321 C337 M339 T342 | S18-F22 PolarHBondContact O-N 2.99Å; V19-F22 WeakPolarHBondContact O-CB 3.02Å; V19-F22 PolarHBondContact O-N 3.39Å; F22-S24 VanDerWaalsContact C-N 3.29Å; F22-S24 PolarHBondContact O-N 3.14Å; F22-N25 PolarHBondContact O-N 2.68Å; F22-N25 VanDerWaalsContact O-N 3.12Å; F22-H26 AromaticContact CD2-CE1 3.66Å; F22-H26 AromaticContact CD2-ND1 3.61Å; F22-H26 AromaticContact CE2-CE1 3.36Å; F22-H26 WeakPolarHBondContact CE2-CE1 3.48Å; F22-H26 AromaticContact CE2-ND1 3.44Å; F22-H26 WeakPolarHBondContact CE2-ND1 3.31Å; F22-H26 AromaticContact CE2-NE2 3.9Å; F22-H26 AromaticContact CZ-ND1 3.93Å; F22-H26 PolarHBondContact O-N 3.41Å; F22-H26 VanDerWaalsContact O-N 3.17Å; F22-H26 PolarHBondContact O-ND1 3.37Å; F22-T319 WeakPolarHBondContact CB-O 3.38Å; F22-C321 HydrophobicContact CD1-CB 3.64Å; F22-C321 HydrophobicContact CD2-CB 3.84Å; F22-C321 HydrophobicContact CE1-CB 3.48Å; F22-C321 VanDerWaalsContact CE1-CB 3.48Å; F22-C321 HydrophobicContact CE2-CB 3.71Å; F22-C321 HydrophobicContact CG-CB 3.82Å; F22-C321 HydrophobicContact CZ-CB 3.54Å; F22-C337 HydrophobicContact CE1-CB 4.34Å; F22-C337 HydrophobicContact CE2-CB 4.1Å; F22-C337 HydrophobicContact CZ-CB 3.56Å; F22-M339 HydrophobicContact CD1-SD 4.44Å; F22-M339 HydrophobicContact CE1-SD 3.59Å; F22-M339 VanDerWaalsContact CE1-SD 3.59Å; F22-M339 HydrophobicContact CZ-SD 4.31Å; F22-T342 HydrophobicContact CD1-CG2 4.09Å; F22-T342 HydrophobicContact CE1-CG2 4.39Å |
| 23 | C | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.3 | -32 | -179.1 | -67.9 | 0 | 0 | 0 | 0 | 112.7 | V19 L20 N25 H26 S27 F38 L76 | V19-C23 PolarHBondContact O-N 3.19Å; V19-C23 PolarHBondContact O-SG 2.67Å; V19-C23 VanDerWaalsContact O-SG 3.4Å; L20-C23 PolarHBondContact O-N 3.01Å; C23-N25 VanDerWaalsContact C-N 3.32Å; C23-H26 CarbonylContact O-C 3.59Å; C23-H26 VanDerWaalsContact O-C 3.27Å; C23-H26 PolarHBondContact O-N 2.98Å; C23-S27 WeakPolarHBondContact O-CA 3.48Å; C23-S27 PolarHBondContact O-N 3.23Å; C23-F38 HydrophobicContact CB-CE1 4.14Å; C23-F38 HydrophobicContact CB-CE2 4.41Å; C23-F38 HydrophobicContact CB-CZ 3.55Å; C23-L76 HydrophobicContact CB-CD2 3.82Å |
| 24 | S | 96.6 | Very high | 94.7 | Very high | 68 Ų | 68 | 41 Ų | 41 | 48% | 0.476 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64 | -37.6 | 173.1 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | L20 S21 F22 H26 | L20-S24 WeakPolarHBondContact O-CB 3.24Å; L20-S24 PolarHBondContact O-N 2.72Å; S21-S24 PolarHBondContact O-N 3.02Å; F22-S24 VanDerWaalsContact C-N 3.29Å; F22-S24 PolarHBondContact O-N 3.14Å; S24-H26 VanDerWaalsContact C-N 3.27Å; S24-H26 PolarHBondContact O-N 3.28Å |
| 25 | N | 96.7 | Very high | 94.4 | Very high | 133 Ų | 133 | 33.6 Ų | 33.6 | 71% | 0.711 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -77.1 | -14.6 | 177.5 | -66.9 | -25.4 | 0 | 0 | 0 | 113.1 | S21 F22 C23 | S21-N25 PolarHBondContact O-N 3.21Å; S21-N25 VanDerWaalsContact O-N 3.16Å; S21-N25 PolarHBondContact O-ND2 3.12Å; F22-N25 PolarHBondContact O-N 2.68Å; F22-N25 VanDerWaalsContact O-N 3.12Å; C23-N25 VanDerWaalsContact C-N 3.32Å |
| 26 | H | 95.7 | Very high | 93.9 | Very high | 62 Ų | 62 | 33.3 Ų | 33.3 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 36.4 | -179.2 | -57.4 | 78.9 | 0 | 0 | 0 | 110.9 | F22 C23 S24 S28 E29 | F22-H26 AromaticContact CD2-CE1 3.66Å; F22-H26 AromaticContact CD2-ND1 3.61Å; F22-H26 AromaticContact CE2-CE1 3.36Å; F22-H26 WeakPolarHBondContact CE2-CE1 3.48Å; F22-H26 AromaticContact CE2-ND1 3.44Å; F22-H26 WeakPolarHBondContact CE2-ND1 3.31Å; F22-H26 AromaticContact CE2-NE2 3.9Å; F22-H26 AromaticContact CZ-ND1 3.93Å; F22-H26 PolarHBondContact O-N 3.41Å; F22-H26 VanDerWaalsContact O-N 3.17Å; F22-H26 PolarHBondContact O-ND1 3.37Å; C23-H26 CarbonylContact O-C 3.59Å; C23-H26 VanDerWaalsContact O-C 3.27Å; C23-H26 PolarHBondContact O-N 2.98Å; S24-H26 VanDerWaalsContact C-N 3.27Å; S24-H26 PolarHBondContact O-N 3.28Å; H26-S28 PolarHBondContact O-N 3.15Å; H26-S28 VanDerWaalsContact O-N 3.15Å; H26-E29 IonicContact CD2-OE1 3.06Å; H26-E29 PolarHBondContact O-N 3.49Å |
| 27 | S | 93.4 | Very high | 93.5 | Very high | 32 Ų | 32 | 33.3 Ų | 33.3 | 22% | 0.224 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -59.6 | -29.4 | -174.5 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | C23 E29 V30 H83 | C23-S27 WeakPolarHBondContact O-CA 3.48Å; C23-S27 PolarHBondContact O-N 3.23Å; S27-E29 VanDerWaalsContact C-N 3.26Å; S27-E29 PolarHBondContact O-N 2.86Å; S27-V30 WeakPolarHBondContact O-CB 3.42Å; S27-V30 WeakPolarHBondContact O-CG2 3.13Å; S27-V30 PolarHBondContact O-N 3.29Å; S27-H83 PolarHBondContact O-CD2 3.44Å; S27-H83 PolarHBondContact OG-NE2 3.48Å |
| 28 | S | 93.5 | Very high | 93.3 | Very high | 70 Ų | 70 | 31.3 Ų | 31.3 | 49% | 0.49 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -68.9 | -20.3 | 176.3 | 55.9 | 0 | 0 | 0 | 0 | 114 | H26 N87 | H26-S28 PolarHBondContact O-N 3.15Å; H26-S28 VanDerWaalsContact O-N 3.15Å; S28-N87 PolarHBondContact O-ND2 2.96Å |
| 29 | E | 93.8 | Very high | 93 | Very high | 100 Ų | 100 | 29.9 Ų | 29.9 | 47% | 0.467 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -94 | -3.5 | 178.2 | -61.3 | -175.7 | -154.2 | 0 | 0 | 112.6 | H26 S27 Q31 M339 | H26-E29 IonicContact CD2-OE1 3.06Å; H26-E29 PolarHBondContact O-N 3.49Å; S27-E29 VanDerWaalsContact C-N 3.26Å; S27-E29 PolarHBondContact O-N 2.86Å; E29-Q31 PolarHBondContact O-N 3.23Å; E29-M339 HydrophobicContact CB-CG 4.14Å |
| 30 | V | 92 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -66.4 | 127.3 | -179.7 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | S27 L35 F38 A80 V84 M339 | S27-V30 WeakPolarHBondContact O-CB 3.42Å; S27-V30 WeakPolarHBondContact O-CG2 3.13Å; S27-V30 PolarHBondContact O-N 3.29Å; V30-L35 HydrophobicContact CG1-CB 4.48Å; V30-F38 HydrophobicContact CG1-CD2 4.46Å; V30-F38 HydrophobicContact CG1-CE2 3.74Å; V30-F38 HydrophobicContact CG2-CE2 4.08Å; V30-A80 HydrophobicContact CB-CB 4.16Å; V30-A80 HydrophobicContact CG1-CB 3.75Å; V30-A80 HydrophobicContact CG2-CB 4.43Å; V30-V84 HydrophobicContact CG1-CG2 4.01Å; V30-V84 WeakPolarHBondContact O-CG2 3.31Å; V30-M339 HydrophobicContact CB-CE 4.36Å; V30-M339 HydrophobicContact CG2-CE 3.67Å | ||
| 31 | Q | 90 | Very high | 92.4 | Very high | 65 Ų | 65 | 29.7 Ų | 29.7 | 30% | 0.304 | 17% | 0.169 | S | C | . | . | trans | -103.5 | 173.3 | 176.3 | -64.3 | -180 | -12.4 | 0 | 0 | 111 | E29 S33 S34 L35 | E29-Q31 PolarHBondContact O-N 3.23Å; Q31-S33 PolarHBondContact O-N 3.4Å; Q31-S34 WeakPolarHBondContact O-CB 3.46Å; Q31-S34 PolarHBondContact O-N 2.86Å; Q31-L35 PolarHBondContact O-N 3.32Å | ||
| 32 | S | 86.8 | Confident | 92.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.4 | -35.1 | 177 | -62.1 | 0 | 0 | 0 | 0 | 113.2 | L36 V84 D88 L99 | S32-L36 WeakPolarHBondContact O-CB 3.16Å; S32-L36 PolarHBondContact O-N 2.74Å; S32-V84 WeakPolarHBondContact OG-CG1 2.96Å; S32-D88 VanDerWaalsContact CB-OD2 3.23Å; S32-D88 WeakPolarHBondContact CB-OD2 3.48Å; S32-D88 PolarHBondContact OG-OD2 3.42Å; S32-L99 WeakPolarHBondContact O-CD2 3.32Å |
| 33 | S | 82.1 | Confident | 92 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.7 | -47 | 174.2 | 42.4 | 0 | 0 | 0 | 0 | 112.3 | Q31 L36 A37 S199 | Q31-S33 PolarHBondContact O-N 3.4Å; S33-L36 WeakPolarHBondContact O-CB 2.99Å; S33-L36 PolarHBondContact O-N 2.93Å; S33-A37 PolarHBondContact O-N 2.96Å; S33-S199 WeakPolarHBondContact CA-OG 3.42Å; S33-S199 WeakPolarHBondContact CB-OG 3.45Å; S33-S199 PolarHBondContact N-OG 2.88Å; S33-S199 VanDerWaalsContact N-OG 3.15Å |
| 34 | S | 90.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.8 | -44.8 | 178.2 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | Q31 L36 A37 F38 | Q31-S34 WeakPolarHBondContact O-CB 3.46Å; Q31-S34 PolarHBondContact O-N 2.86Å; S34-L36 VanDerWaalsContact C-N 3.31Å; S34-L36 PolarHBondContact O-N 3.12Å; S34-A37 WeakPolarHBondContact O-CB 3.21Å; S34-A37 PolarHBondContact O-N 3.16Å; S34-F38 WeakPolarHBondContact O-CD1 3.2Å; S34-F38 WeakPolarHBondContact O-CD2 3.3Å; S34-F38 VanDerWaalsContact O-CG 3.23Å; S34-F38 WeakPolarHBondContact O-CG 3.16Å; S34-F38 PolarHBondContact O-N 2.87Å |
| 35 | L | 91.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -39.9 | 175.2 | 178.5 | 59 | 0 | 0 | 0 | 112 | V30 Q31 A37 F38 R39 A77 A80 I81 V84 F92 L99 | V30-L35 HydrophobicContact CG1-CB 4.48Å; Q31-L35 PolarHBondContact O-N 3.32Å; L35-A37 VanDerWaalsContact C-N 3.34Å; L35-A37 PolarHBondContact O-N 3.03Å; L35-F38 PolarHBondContact O-N 2.87Å; L35-R39 HydrophobicContact CD1-CG 4.45Å; L35-R39 WeakPolarHBondContact O-CG 3.17Å; L35-R39 PolarHBondContact O-N 2.87Å; L35-A77 HydrophobicContact CD1-CB 3.93Å; L35-A77 WeakPolarHBondContact CD1-O 3.2Å; L35-A80 HydrophobicContact CD1-CB 4.44Å; L35-I81 HydrophobicContact CD1-CG1 4.46Å; L35-I81 HydrophobicContact CD2-CG1 4.02Å; L35-V84 HydrophobicContact CB-CG2 4.07Å; L35-V84 HydrophobicContact CD2-CB 4.26Å; L35-V84 HydrophobicContact CD2-CG1 4.27Å; L35-V84 HydrophobicContact CD2-CG2 4.1Å; L35-F92 HydrophobicContact CD2-CD2 4.15Å; L35-F92 HydrophobicContact CD2-CE2 3.82Å; L35-L99 HydrophobicContact CD2-CB 3.96Å; L35-L99 HydrophobicContact CD2-CD1 4.47Å; L35-L99 HydrophobicContact CG-CB 4.36Å; L35-L99 HydrophobicContact CG-CD2 4.41Å |
| 36 | L | 86.9 | Confident | 91.3 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 174.6 | 179.7 | 64.7 | 0 | 0 | 0 | 111.4 | S32 S33 S34 F38 R39 F40 L99 Y103 P195 L196 | S32-L36 WeakPolarHBondContact O-CB 3.16Å; S32-L36 PolarHBondContact O-N 2.74Å; S33-L36 WeakPolarHBondContact O-CB 2.99Å; S33-L36 PolarHBondContact O-N 2.93Å; S34-L36 VanDerWaalsContact C-N 3.31Å; S34-L36 PolarHBondContact O-N 3.12Å; L36-F38 VanDerWaalsContact C-N 3.31Å; L36-F38 PolarHBondContact O-N 3.3Å; L36-R39 PolarHBondContact O-N 3.09Å; L36-F40 WeakPolarHBondContact O-CB 3.49Å; L36-F40 PolarHBondContact O-N 3.21Å; L36-L99 HydrophobicContact CB-CD2 3.65Å; L36-L99 HydrophobicContact CD1-CD2 4.16Å; L36-L99 HydrophobicContact CG-CD2 4.48Å; L36-Y103 HydrophobicContact CD1-CE2 3.53Å; L36-Y103 WeakPolarHBondContact CD1-OH 3.3Å; L36-P195 HydrophobicContact CD1-CG 4.24Å; L36-P195 HydrophobicContact CD2-CB 3.79Å; L36-P195 HydrophobicContact CD2-CG 3.9Å; L36-L196 HydrophobicContact CB-CD1 4.26Å; L36-L196 HydrophobicContact CB-CG 4.24Å; L36-L196 HydrophobicContact CD2-CB 3.51Å; L36-L196 HydrophobicContact CD2-CD1 3.57Å; L36-L196 HydrophobicContact CD2-CG 3.6Å; L36-L196 HydrophobicContact CG-CD1 3.82Å; L36-L196 HydrophobicContact CG-CG 4.15Å |
| 37 | A | 90.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.1 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | S33 S34 L35 R39 F40 I41 A343 A347 | S33-A37 PolarHBondContact O-N 2.96Å; S34-A37 WeakPolarHBondContact O-CB 3.21Å; S34-A37 PolarHBondContact O-N 3.16Å; L35-A37 VanDerWaalsContact C-N 3.34Å; L35-A37 PolarHBondContact O-N 3.03Å; A37-R39 PolarHBondContact O-N 3Å; A37-F40 WeakPolarHBondContact O-CB 3.1Å; A37-F40 PolarHBondContact O-N 2.96Å; A37-I41 WeakPolarHBondContact O-CD1 3.36Å; A37-I41 WeakPolarHBondContact O-CG1 3.19Å; A37-I41 PolarHBondContact O-N 3.04Å; A37-A343 HydrophobicContact CB-CB 3.88Å; A37-A347 HydrophobicContact CB-CB 4.39Å |
| 38 | F | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.9 | -44 | 177 | -57 | -26.6 | 0 | 0 | 0 | 112.5 | L20 C23 V30 S34 L35 L36 F40 I41 E42 V73 L76 A77 | L20-F38 HydrophobicContact CD2-CD1 4.33Å; L20-F38 HydrophobicContact CD2-CE1 4.5Å; C23-F38 HydrophobicContact CB-CE1 4.14Å; C23-F38 HydrophobicContact CB-CE2 4.41Å; C23-F38 HydrophobicContact CB-CZ 3.55Å; V30-F38 HydrophobicContact CG1-CD2 4.46Å; V30-F38 HydrophobicContact CG1-CE2 3.74Å; V30-F38 HydrophobicContact CG2-CE2 4.08Å; S34-F38 WeakPolarHBondContact O-CD1 3.2Å; S34-F38 WeakPolarHBondContact O-CD2 3.3Å; S34-F38 VanDerWaalsContact O-CG 3.23Å; S34-F38 WeakPolarHBondContact O-CG 3.16Å; S34-F38 PolarHBondContact O-N 2.87Å; L35-F38 PolarHBondContact O-N 2.87Å; L36-F38 VanDerWaalsContact C-N 3.31Å; L36-F38 PolarHBondContact O-N 3.3Å; F38-F40 VanDerWaalsContact C-N 3.29Å; F38-F40 PolarHBondContact O-N 3.36Å; F38-I41 HydrophobicContact CD1-CD1 4.4Å; F38-I41 PolarHBondContact O-N 3.16Å; F38-E42 VanDerWaalsContact O-CB 3.29Å; F38-E42 WeakPolarHBondContact O-CB 3.38Å; F38-E42 PolarHBondContact O-N 3.21Å; F38-V73 HydrophobicContact CB-CG2 3.78Å; F38-V73 HydrophobicContact CD1-CG2 4.42Å; F38-V73 HydrophobicContact CG-CG2 4.36Å; F38-V73 WeakPolarHBondContact O-CG2 3.42Å; F38-L76 HydrophobicContact CD1-CD2 4.31Å; F38-L76 HydrophobicContact CD2-CD2 4.2Å; F38-L76 HydrophobicContact CD2-CG 4.11Å; F38-L76 HydrophobicContact CE1-CD2 4.07Å; F38-L76 HydrophobicContact CE2-CD2 3.93Å; F38-L76 HydrophobicContact CE2-CG 4Å; F38-L76 HydrophobicContact CG-CD2 4.41Å; F38-L76 HydrophobicContact CZ-CD2 3.89Å; F38-L76 HydrophobicContact CZ-CG 4.46Å; F38-A77 HydrophobicContact CB-CB 3.94Å |
| 39 | R | 92.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 11.6 Ų | 11.6 | 2% | 0.015 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65 | -33.2 | 175.1 | -69 | -53.5 | -172.6 | -169.9 | -4.9 | 113.1 | L35 L36 A37 E42 G43 N78 L99 Q101 P102 Y103 | L35-R39 HydrophobicContact CD1-CG 4.45Å; L35-R39 WeakPolarHBondContact O-CG 3.17Å; L35-R39 PolarHBondContact O-N 2.87Å; L36-R39 PolarHBondContact O-N 3.09Å; A37-R39 PolarHBondContact O-N 3Å; R39-E42 WeakPolarHBondContact CD-OE2 3.48Å; R39-E42 IonicContact CZ-OE2 2.73Å; R39-E42 IonicContact NE-OE2 2.7Å; R39-E42 IonicContact NH1-OE1 2.99Å; R39-E42 IonicContact NH1-OE2 3.33Å; R39-E42 PolarHBondContact NH1-OE2 3.47Å; R39-G43 PolarHBondContact O-N 3.17Å; R39-G43 VanDerWaalsContact O-N 3.1Å; R39-N78 PolarHBondContact NH1-OD1 2.69Å; R39-N78 PolarHBondContact NH2-OD1 2.57Å; R39-L99 WeakPolarHBondContact CG-O 3.49Å; R39-L99 PolarHBondContact NE-O 3.06Å; R39-L99 VanDerWaalsContact NE-O 3.08Å; R39-Q101 WeakPolarHBondContact CB-O 3.38Å; R39-P102 WeakPolarHBondContact O-CA 3.45Å; R39-Y103 HydrophobicContact CB-CD2 3.98Å; R39-Y103 HydrophobicContact CB-CE2 3.24Å; R39-Y103 HydrophobicContact CG-CE2 4.44Å; R39-Y103 PolarHBondContact O-N 3.15Å; R39-Y103 VanDerWaalsContact O-N 3.16Å |
| 40 | F | 88.9 | Confident | 90.4 | Very high | 9 Ų | 9 | 14.4 Ų | 14.4 | 4% | 0.039 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.2 | -53.3 | 170.8 | 175.2 | -101.2 | 0 | 0 | 0 | 111.2 | L36 A37 F38 E42 G43 Q44 Y103 L293 H297 A347 V350 | L36-F40 WeakPolarHBondContact O-CB 3.49Å; L36-F40 PolarHBondContact O-N 3.21Å; A37-F40 WeakPolarHBondContact O-CB 3.1Å; A37-F40 PolarHBondContact O-N 2.96Å; F38-F40 VanDerWaalsContact C-N 3.29Å; F38-F40 PolarHBondContact O-N 3.36Å; F40-E42 VanDerWaalsContact C-N 3.32Å; F40-E42 PolarHBondContact O-N 2.94Å; F40-G43 PolarHBondContact O-N 3.07Å; F40-Q44 HydrophobicContact CD1-CG 4.38Å; F40-Q44 HydrophobicContact CD2-CG 3.99Å; F40-Q44 HydrophobicContact CE1-CG 4.05Å; F40-Q44 HydrophobicContact CE2-CG 3.58Å; F40-Q44 HydrophobicContact CG-CG 4.37Å; F40-Q44 HydrophobicContact CZ-CG 3.64Å; F40-Q44 VanDerWaalsContact O-CG 3.25Å; F40-Q44 WeakPolarHBondContact O-CG 3.29Å; F40-Q44 PolarHBondContact O-N 2.92Å; F40-Y103 HydrophobicContact CB-CD2 4.06Å; F40-Y103 HydrophobicContact CB-CE2 4.44Å; F40-L293 HydrophobicContact CE1-CD1 4.29Å; F40-H297 AromaticContact CD2-CD2 3.98Å; F40-H297 AromaticContact CD2-NE2 3.84Å; F40-H297 AromaticContact CE2-CD2 3.2Å; F40-H297 WeakPolarHBondContact CE2-CD2 2.9Å; F40-H297 AromaticContact CE2-NE2 3.28Å; F40-H297 VanDerWaalsContact CE2-NE2 3.28Å; F40-H297 WeakPolarHBondContact CE2-NE2 3.12Å; F40-H297 AromaticContact CZ-CD2 3.7Å; F40-A347 HydrophobicContact CD1-CB 3.77Å; F40-A347 HydrophobicContact CE1-CB 4.05Å; F40-V350 HydrophobicContact CE1-CG1 4.3Å |
| 41 | I | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -55.5 | -49.2 | 176.7 | -64.6 | 158.8 | 0 | 0 | 0 | 110.5 | L16 A37 F38 G43 Q44 L45 V73 S346 V350 | L16-I41 HydrophobicContact CD1-CD1 4.07Å; L16-I41 HydrophobicContact CD2-CG2 4.22Å; A37-I41 WeakPolarHBondContact O-CD1 3.36Å; A37-I41 WeakPolarHBondContact O-CG1 3.19Å; A37-I41 PolarHBondContact O-N 3.04Å; F38-I41 HydrophobicContact CD1-CD1 4.4Å; F38-I41 PolarHBondContact O-N 3.16Å; I41-G43 VanDerWaalsContact C-N 3.31Å; I41-G43 PolarHBondContact O-N 3.03Å; I41-Q44 PolarHBondContact O-N 3.46Å; I41-L45 HydrophobicContact CG2-CD1 3.68Å; I41-L45 HydrophobicContact CG2-CG 4.24Å; I41-L45 VanDerWaalsContact O-CG 3.25Å; I41-L45 WeakPolarHBondContact O-CG 3.41Å; I41-L45 PolarHBondContact O-N 3.48Å; I41-L45 VanDerWaalsContact O-N 3.14Å; I41-V73 HydrophobicContact CB-CG2 4.16Å; I41-V73 HydrophobicContact CG2-CB 4.27Å; I41-V73 HydrophobicContact CG2-CG1 4.09Å; I41-V73 HydrophobicContact CG2-CG2 3.99Å; I41-S346 WeakPolarHBondContact CD1-OG 3.29Å; I41-V350 HydrophobicContact CB-CG2 4.03Å; I41-V350 HydrophobicContact CG1-CB 4.42Å; I41-V350 HydrophobicContact CG1-CG2 3.64Å; I41-V350 HydrophobicContact CG2-CG2 3.75Å |
| 42 | E | 94.5 | Very high | 89.7 | Confident | 11 Ų | 11 | 13.1 Ų | 13.1 | 5% | 0.051 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -55.5 | -42.2 | -180 | -171.7 | -172.8 | -174.7 | 0 | 0 | 112.7 | F38 R39 F40 P46 Q70 V73 S74 P102 | F38-E42 VanDerWaalsContact O-CB 3.29Å; F38-E42 WeakPolarHBondContact O-CB 3.38Å; F38-E42 PolarHBondContact O-N 3.21Å; R39-E42 WeakPolarHBondContact CD-OE2 3.48Å; R39-E42 IonicContact CZ-OE2 2.73Å; R39-E42 IonicContact NE-OE2 2.7Å; R39-E42 IonicContact NH1-OE1 2.99Å; R39-E42 IonicContact NH1-OE2 3.33Å; R39-E42 PolarHBondContact NH1-OE2 3.47Å; F40-E42 VanDerWaalsContact C-N 3.32Å; F40-E42 PolarHBondContact O-N 2.94Å; E42-P46 WeakPolarHBondContact O-CD 3.31Å; E42-Q70 HydrophobicContact CG-CG 4.39Å; E42-V73 HydrophobicContact CB-CG1 3.76Å; E42-V73 HydrophobicContact CG-CG1 4.19Å; E42-S74 WeakPolarHBondContact OE1-CB 3.46Å; E42-S74 PolarHBondContact OE1-OG 2.95Å; E42-P102 HydrophobicContact CB-CB 3.97Å; E42-P102 HydrophobicContact CG-CB 3.74Å; E42-P102 HydrophobicContact CG-CG 4.4Å |
| 43 | G | 91.1 | Very high | 89.4 | Confident | 2 Ų | 2 | 16.6 Ų | 16.6 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -82.4 | -25.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R39 F40 I41 Y103 E104 | R39-G43 PolarHBondContact O-N 3.17Å; R39-G43 VanDerWaalsContact O-N 3.1Å; F40-G43 PolarHBondContact O-N 3.07Å; I41-G43 VanDerWaalsContact C-N 3.31Å; I41-G43 PolarHBondContact O-N 3.03Å; G43-Y103 CarbonylContact C-O 3.58Å; G43-Y103 WeakPolarHBondContact CA-O 3.46Å; G43-E104 WeakPolarHBondContact O-CG 3.03Å |
| 44 | Q | 90.2 | Very high | 89.2 | Confident | 9 Ų | 9 | 22.3 Ų | 22.3 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -78.1 | -36.4 | 178.4 | -65.9 | -56.9 | -61.4 | 0 | 0 | 112.9 | F40 I41 A47 I48 Y103 Y105 V350 | F40-Q44 HydrophobicContact CD1-CG 4.38Å; F40-Q44 HydrophobicContact CD2-CG 3.99Å; F40-Q44 HydrophobicContact CE1-CG 4.05Å; F40-Q44 HydrophobicContact CE2-CG 3.58Å; F40-Q44 HydrophobicContact CG-CG 4.37Å; F40-Q44 HydrophobicContact CZ-CG 3.64Å; F40-Q44 VanDerWaalsContact O-CG 3.25Å; F40-Q44 WeakPolarHBondContact O-CG 3.29Å; F40-Q44 PolarHBondContact O-N 2.92Å; I41-Q44 PolarHBondContact O-N 3.46Å; Q44-A47 VanDerWaalsContact O-CB 3.23Å; Q44-A47 WeakPolarHBondContact O-CB 3.33Å; Q44-A47 PolarHBondContact O-N 3.48Å; Q44-I48 HydrophobicContact CB-CD1 4.33Å; Q44-I48 VanDerWaalsContact O-CG1 3.31Å; Q44-I48 WeakPolarHBondContact O-CG1 3.14Å; Q44-I48 PolarHBondContact O-N 3.43Å; Q44-I48 VanDerWaalsContact O-N 3.11Å; Q44-Y103 PolarHBondContact NE2-O 2.64Å; Q44-Y105 PolarHBondContact OE1-O 3.3Å; Q44-V350 HydrophobicContact CB-CG1 3.51Å; Q44-V350 HydrophobicContact CG-CG1 4.02Å |
| 45 | L | 94.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | -173 | -70.9 | 168.9 | 0 | 0 | 0 | 114.6 | I41 A47 I48 A49 L66 V69 Q70 V73 | I41-L45 HydrophobicContact CG2-CD1 3.68Å; I41-L45 HydrophobicContact CG2-CG 4.24Å; I41-L45 VanDerWaalsContact O-CG 3.25Å; I41-L45 WeakPolarHBondContact O-CG 3.41Å; I41-L45 PolarHBondContact O-N 3.48Å; I41-L45 VanDerWaalsContact O-N 3.14Å; L45-A47 PolarHBondContact O-N 3.34Å; L45-I48 PolarHBondContact O-N 2.9Å; L45-A49 WeakPolarHBondContact O-CB 3.01Å; L45-A49 PolarHBondContact O-N 2.81Å; L45-L66 HydrophobicContact CD2-CB 4.47Å; L45-L66 HydrophobicContact CD2-CD2 3.73Å; L45-V69 HydrophobicContact CD1-CB 4.04Å; L45-V69 HydrophobicContact CD1-CG1 3.65Å; L45-Q70 HydrophobicContact CB-CB 4.04Å; L45-Q70 HydrophobicContact CB-CG 4.44Å; L45-Q70 HydrophobicContact CD1-CB 4.09Å; L45-V73 HydrophobicContact CD1-CG1 4.32Å |
| 46 | P | 91.5 | Very high | 86.8 | Confident | 35 Ų | 35 | 37.8 Ų | 37.8 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60 | -36.8 | 176.8 | -25.8 | 36.2 | 0 | 0 | 0 | 112.7 | E42 A49 Y50 Q70 | E42-P46 WeakPolarHBondContact O-CD 3.31Å; P46-A49 WeakPolarHBondContact O-CB 3.12Å; P46-A49 PolarHBondContact O-N 2.85Å; P46-Y50 WeakPolarHBondContact O-CB 3.36Å; P46-Y50 PolarHBondContact O-N 3.4Å; P46-Q70 HydrophobicContact CG-CG 3.93Å |
| 47 | A | 87.6 | Confident | 85.5 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 5% | 0.05 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -46.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q44 L45 A49 Y50 E51 Y106 | Q44-A47 VanDerWaalsContact O-CB 3.23Å; Q44-A47 WeakPolarHBondContact O-CB 3.33Å; Q44-A47 PolarHBondContact O-N 3.48Å; L45-A47 PolarHBondContact O-N 3.34Å; A47-A49 PolarHBondContact O-N 3.18Å; A47-Y50 PolarHBondContact O-N 3.48Å; A47-E51 WeakPolarHBondContact O-CB 3.48Å; A47-E51 WeakPolarHBondContact O-CG 3.45Å; A47-E51 PolarHBondContact O-N 2.64Å; A47-Y106 HydrophobicContact CB-CD1 4.02Å; A47-Y106 HydrophobicContact CB-CE1 2.98Å; A47-Y106 HydrophobicContact CB-CE2 4.46Å; A47-Y106 WeakPolarHBondContact CB-OH 3.37Å |
| 48 | I | 90.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 178.9 | -58.7 | 162.8 | 0 | 0 | 0 | 108.3 | Q44 L45 Y50 E51 S52 L66 V350 I353 R354 A357 | Q44-I48 HydrophobicContact CB-CD1 4.33Å; Q44-I48 VanDerWaalsContact O-CG1 3.31Å; Q44-I48 WeakPolarHBondContact O-CG1 3.14Å; Q44-I48 PolarHBondContact O-N 3.43Å; Q44-I48 VanDerWaalsContact O-N 3.11Å; L45-I48 PolarHBondContact O-N 2.9Å; I48-Y50 VanDerWaalsContact C-N 3.35Å; I48-Y50 PolarHBondContact O-N 3.13Å; I48-E51 PolarHBondContact O-N 3.26Å; I48-S52 WeakPolarHBondContact O-CB 3.41Å; I48-S52 PolarHBondContact O-N 2.76Å; I48-S52 PolarHBondContact O-OG 3.34Å; I48-L66 HydrophobicContact CB-CD1 4.02Å; I48-L66 HydrophobicContact CG2-CD1 3.62Å; I48-V350 HydrophobicContact CD1-CG1 4.08Å; I48-I353 HydrophobicContact CD1-CG2 4.27Å; I48-I353 HydrophobicContact CG2-CG2 4.28Å; I48-R354 HydrophobicContact CD1-CB 3.66Å; I48-R354 HydrophobicContact CD1-CG 4.37Å; I48-R354 HydrophobicContact CG1-CB 3.71Å; I48-R354 HydrophobicContact CG1-CG 3.88Å; I48-A357 HydrophobicContact CG2-CB 3.78Å |
| 49 | A | 90.1 | Very high | 82.5 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.017 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L45 P46 A47 S52 S53 P63 L66 | L45-A49 WeakPolarHBondContact O-CB 3.01Å; L45-A49 PolarHBondContact O-N 2.81Å; P46-A49 WeakPolarHBondContact O-CB 3.12Å; P46-A49 PolarHBondContact O-N 2.85Å; A47-A49 PolarHBondContact O-N 3.18Å; A49-S52 WeakPolarHBondContact CA-OG 3.37Å; A49-S52 PolarHBondContact O-OG 2.03Å; A49-S53 WeakPolarHBondContact O-CB 3.47Å; A49-S53 PolarHBondContact O-N 2.95Å; A49-S53 VanDerWaalsContact O-N 3.15Å; A49-P63 HydrophobicContact CB-CB 4.12Å; A49-L66 HydrophobicContact CB-CB 4.09Å; A49-L66 HydrophobicContact CB-CD1 4.22Å |
| 50 | Y | 89 | Confident | 81.4 | Confident | 159 Ų | 159 | 58.1 Ų | 58.1 | 62% | 0.624 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.1 | -51.2 | 176.6 | 177.4 | -98.9 | 0 | 0 | 0 | 111.7 | P46 A47 I48 S52 S53 L54 | P46-Y50 WeakPolarHBondContact O-CB 3.36Å; P46-Y50 PolarHBondContact O-N 3.4Å; A47-Y50 PolarHBondContact O-N 3.48Å; I48-Y50 VanDerWaalsContact C-N 3.35Å; I48-Y50 PolarHBondContact O-N 3.13Å; Y50-S52 PolarHBondContact O-N 2.67Å; Y50-S53 WeakPolarHBondContact O-CB 3.48Å; Y50-S53 PolarHBondContact O-N 3.16Å; Y50-S53 PolarHBondContact O-OG 3.32Å; Y50-L54 HydrophobicContact CE1-CD1 4.32Å |
| 51 | E | 84.8 | Confident | 81.4 | Confident | 36 Ų | 36 | 59.9 Ų | 59.9 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | -178.5 | -67.8 | 171.4 | -166.7 | 0 | 0 | 112 | A47 I48 S53 L54 R354 M358 | A47-E51 WeakPolarHBondContact O-CB 3.48Å; A47-E51 WeakPolarHBondContact O-CG 3.45Å; A47-E51 PolarHBondContact O-N 2.64Å; I48-E51 PolarHBondContact O-N 3.26Å; E51-S53 VanDerWaalsContact C-N 3.27Å; E51-S53 PolarHBondContact O-N 3.27Å; E51-L54 WeakPolarHBondContact O-CB 3.33Å; E51-L54 PolarHBondContact O-N 3.23Å; E51-L54 VanDerWaalsContact O-N 3.12Å; E51-R354 IonicContact OE1-CZ 3.97Å; E51-R354 IonicContact OE1-NH1 3.07Å; E51-R354 PolarHBondContact OE1-NH1 3.4Å; E51-R354 IonicContact OE1-NH2 2.92Å; E51-R354 PolarHBondContact OE1-NH2 3.2Å; E51-R354 IonicContact OE2-CZ 3.1Å; E51-R354 IonicContact OE2-NE 2.84Å; E51-R354 IonicContact OE2-NH1 3.85Å; E51-R354 PolarHBondContact OE2-NH1 2.64Å; E51-R354 IonicContact OE2-NH2 3.3Å; E51-R354 PolarHBondContact OE2-NH2 3.37Å; E51-M358 HydrophobicContact CB-CE 3.9Å; E51-M358 HydrophobicContact CB-SD 3.56Å; E51-M358 VanDerWaalsContact CB-SD 3.56Å |
| 52 | S | 83.4 | Confident | 81.2 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.007 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.2 | -27 | 176.3 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | I48 A49 Y50 L54 L55 | I48-S52 WeakPolarHBondContact O-CB 3.41Å; I48-S52 PolarHBondContact O-N 2.76Å; I48-S52 PolarHBondContact O-OG 3.34Å; A49-S52 WeakPolarHBondContact CA-OG 3.37Å; A49-S52 PolarHBondContact O-OG 2.03Å; Y50-S52 PolarHBondContact O-N 2.67Å; S52-L54 PolarHBondContact O-N 3.28Å; S52-L55 WeakPolarHBondContact O-CB 3.44Å; S52-L55 PolarHBondContact O-N 2.85Å |
| 53 | S | 80.3 | Confident | 81 | Confident | 73 Ų | 73 | 61 Ų | 61 | 51% | 0.51 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.2 | -20.1 | 173.8 | 77.1 | 0 | 0 | 0 | 0 | 113.3 | A49 Y50 E51 L55 | A49-S53 WeakPolarHBondContact O-CB 3.47Å; A49-S53 PolarHBondContact O-N 2.95Å; A49-S53 VanDerWaalsContact O-N 3.15Å; Y50-S53 WeakPolarHBondContact O-CB 3.48Å; Y50-S53 PolarHBondContact O-N 3.16Å; Y50-S53 PolarHBondContact O-OG 3.32Å; E51-S53 VanDerWaalsContact C-N 3.27Å; E51-S53 PolarHBondContact O-N 3.27Å; S53-L55 VanDerWaalsContact C-N 3.33Å |
| 54 | L | 77.1 | Confident | 81 | Confident | 121 Ų | 121 | 69.1 Ų | 69.1 | 63% | 0.634 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -14.5 | 174.7 | -58.5 | 173.9 | 0 | 0 | 0 | 112.3 | Y50 E51 S52 | Y50-L54 HydrophobicContact CE1-CD1 4.32Å; E51-L54 WeakPolarHBondContact O-CB 3.33Å; E51-L54 PolarHBondContact O-N 3.23Å; E51-L54 VanDerWaalsContact O-N 3.12Å; S52-L54 PolarHBondContact O-N 3.28Å |
| 55 | L | 70.6 | Confident | 81.2 | Confident | 67 Ų | 67 | 72.3 Ų | 72.3 | 35% | 0.351 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -88.3 | 119.6 | -179.8 | -61.2 | 173.6 | 0 | 0 | 0 | 109.5 | S52 S53 E57 G58 A357 M358 | S52-L55 WeakPolarHBondContact O-CB 3.44Å; S52-L55 PolarHBondContact O-N 2.85Å; S53-L55 VanDerWaalsContact C-N 3.33Å; L55-E57 PolarHBondContact O-N 3.27Å; L55-G58 PolarHBondContact O-N 2.99Å; L55-G58 VanDerWaalsContact O-N 3.09Å; L55-A357 WeakPolarHBondContact CD1-O 3.39Å; L55-M358 HydrophobicContact CD1-CE 4.48Å; L55-M358 HydrophobicContact CD1-SD 3.8Å |
| 56 | R | 60.6 | Low | 81.2 | Confident | 258 Ų | 258 | 72.3 Ų | 72.3 | 97% | 0.974 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -29.4 | -179.4 | -89.9 | -178.3 | 155.9 | -167.9 | -5.6 | 113.8 | ||
| 57 | E | 60.2 | Low | 81.3 | Confident | 190 Ų | 190 | 78.2 Ų | 78.2 | 89% | 0.888 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -11.2 | -174.2 | -66.1 | -178.8 | 172 | 0 | 0 | 114.1 | L55 G59 | L55-E57 PolarHBondContact O-N 3.27Å; E57-G59 PolarHBondContact O-N 3.37Å |
| 58 | G | 57.1 | Low | 81.8 | Confident | 28 Ų | 28 | 82.4 Ų | 82.4 | 29% | 0.289 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -66 | -15.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L55 L62 | L55-G58 PolarHBondContact O-N 2.99Å; L55-G58 VanDerWaalsContact O-N 3.09Å; G58-L62 WeakPolarHBondContact O-CB 3.44Å |
| 59 | G | 63.5 | Low | 82.1 | Confident | 48 Ų | 48 | 82.7 Ų | 82.7 | 50% | 0.495 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 144.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E57 G61 L62 | E57-G59 PolarHBondContact O-N 3.37Å; G59-G61 PolarHBondContact O-N 2.94Å; G59-L62 PolarHBondContact O-N 3.02Å |
| 60 | N | 70.9 | Confident | 82.4 | Confident | 166 Ų | 166 | 85.3 Ų | 85.3 | 89% | 0.888 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -10.3 | -179.9 | -65.5 | -20.5 | 0 | 0 | 0 | 113.7 | ||
| 61 | G | 87.1 | Confident | 82.8 | Confident | 45 Ų | 45 | 80.2 Ų | 80.2 | 46% | 0.464 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -79 | -36.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G59 R64 Q65 | G59-G61 PolarHBondContact O-N 2.94Å; G61-R64 PolarHBondContact O-N 3.01Å; G61-Q65 PolarHBondContact O-N 3.41Å |
| 62 | L | 90.1 | Very high | 83.3 | Confident | 16 Ų | 16 | 83.4 Ų | 83.4 | 8% | 0.084 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64.1 | -48.5 | -172.5 | 175.4 | 67.9 | 0 | 0 | 0 | 112.6 | L9 I13 G58 G59 R64 Q65 L66 A357 | L9-L62 HydrophobicContact CD2-CD1 3.93Å; L9-L62 HydrophobicContact CD2-CD2 3.7Å; L9-L62 HydrophobicContact CD2-CG 4.46Å; L9-L62 HydrophobicContact CG-CD1 4.38Å; I13-L62 HydrophobicContact CD1-CD1 3.58Å; G58-L62 WeakPolarHBondContact O-CB 3.44Å; G59-L62 PolarHBondContact O-N 3.02Å; L62-R64 PolarHBondContact O-N 3.44Å; L62-Q65 PolarHBondContact O-N 3.35Å; L62-Q65 VanDerWaalsContact O-N 3.16Å; L62-L66 HydrophobicContact CD1-CD1 3.97Å; L62-L66 HydrophobicContact CD1-CD2 4.25Å; L62-L66 HydrophobicContact CD1-CG 3.89Å; L62-L66 HydrophobicContact CG-CD1 3.95Å; L62-L66 HydrophobicContact CG-CG 4.28Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 3.2Å; L62-A357 HydrophobicContact CD2-CB 4.16Å |
| 63 | P | 90.7 | Very high | 84 | Confident | 18 Ų | 18 | 83.3 Ų | 83.3 | 12% | 0.117 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59 | -36.4 | 177.5 | -26.1 | 36 | 0 | 0 | 0 | 113.1 | A49 R67 | A49-P63 HydrophobicContact CB-CB 4.12Å; P63-R67 VanDerWaalsContact O-CG 3.29Å; P63-R67 WeakPolarHBondContact O-CG 3.27Å; P63-R67 PolarHBondContact O-N 2.58Å; P63-R67 VanDerWaalsContact O-N 3.13Å |
| 64 | R | 91.5 | Very high | 84.8 | Confident | 173 Ų | 173 | 81.1 Ų | 81.1 | 65% | 0.653 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.5 | -49.1 | 175.5 | 178.8 | 179.7 | 174.5 | 163.8 | 3 | 111 | G61 L62 L66 R67 E68 | G61-R64 PolarHBondContact O-N 3.01Å; L62-R64 PolarHBondContact O-N 3.44Å; R64-L66 VanDerWaalsContact C-N 3.33Å; R64-L66 PolarHBondContact O-N 2.88Å; R64-R67 PolarHBondContact O-N 3.26Å; R64-E68 WeakPolarHBondContact CG-OE1 3.26Å; R64-E68 IonicContact CZ-OE1 3.27Å; R64-E68 IonicContact NE-OE1 3.14Å; R64-E68 PolarHBondContact NE-OE1 3.3Å; R64-E68 IonicContact NH2-OE1 3.9Å; R64-E68 WeakPolarHBondContact O-CG 3.5Å; R64-E68 PolarHBondContact O-N 3.45Å |
| 65 | Q | 93.6 | Very high | 85.7 | Confident | 76 Ų | 76 | 80.1 Ų | 80.1 | 36% | 0.355 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 178.7 | -171.7 | 178.4 | 16.7 | 0 | 0 | 111.5 | I13 G61 L62 R67 E68 V69 | I13-Q65 HydrophobicContact CG2-CG 4.24Å; G61-Q65 PolarHBondContact O-N 3.41Å; L62-Q65 PolarHBondContact O-N 3.35Å; L62-Q65 VanDerWaalsContact O-N 3.16Å; Q65-R67 VanDerWaalsContact C-N 3.32Å; Q65-R67 PolarHBondContact O-N 2.67Å; Q65-E68 PolarHBondContact O-N 2.95Å; Q65-V69 WeakPolarHBondContact O-CG2 3.41Å; Q65-V69 PolarHBondContact O-N 3.28Å |
| 66 | L | 95 | Very high | 87 | Confident | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.005 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 178.5 | -65.5 | 175.8 | 0 | 0 | 0 | 112.6 | I13 L45 I48 A49 L62 R64 V69 Q70 I353 | I13-L66 HydrophobicContact CD1-CD2 4.14Å; I13-L66 HydrophobicContact CG1-CD2 4.38Å; L45-L66 HydrophobicContact CD2-CB 4.47Å; L45-L66 HydrophobicContact CD2-CD2 3.73Å; I48-L66 HydrophobicContact CB-CD1 4.02Å; I48-L66 HydrophobicContact CG2-CD1 3.62Å; A49-L66 HydrophobicContact CB-CB 4.09Å; A49-L66 HydrophobicContact CB-CD1 4.22Å; L62-L66 HydrophobicContact CD1-CD1 3.97Å; L62-L66 HydrophobicContact CD1-CD2 4.25Å; L62-L66 HydrophobicContact CD1-CG 3.89Å; L62-L66 HydrophobicContact CG-CD1 3.95Å; L62-L66 HydrophobicContact CG-CG 4.28Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 3.2Å; R64-L66 VanDerWaalsContact C-N 3.33Å; R64-L66 PolarHBondContact O-N 2.88Å; L66-V69 PolarHBondContact O-N 2.8Å; L66-Q70 WeakPolarHBondContact O-CB 3.13Å; L66-Q70 PolarHBondContact O-N 3.1Å; L66-I353 HydrophobicContact CD2-CG2 3.83Å |
| 67 | R | 94.2 | Very high | 88.7 | Confident | 158 Ų | 158 | 65.1 Ų | 65.1 | 60% | 0.596 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68.6 | -37.1 | 173 | -73 | 177 | -170.6 | 177.6 | 4.1 | 112.7 | P63 R64 Q65 Q70 A71 | P63-R67 VanDerWaalsContact O-CG 3.29Å; P63-R67 WeakPolarHBondContact O-CG 3.27Å; P63-R67 PolarHBondContact O-N 2.58Å; P63-R67 VanDerWaalsContact O-N 3.13Å; R64-R67 PolarHBondContact O-N 3.26Å; Q65-R67 VanDerWaalsContact C-N 3.32Å; Q65-R67 PolarHBondContact O-N 2.67Å; R67-Q70 WeakPolarHBondContact O-CB 3.23Å; R67-Q70 PolarHBondContact O-N 2.73Å; R67-A71 PolarHBondContact O-N 3.04Å |
| 68 | E | 96.1 | Very high | 90.4 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 173.9 | -70.7 | 169.9 | -171.7 | 0 | 0 | 110.6 | R64 Q65 Q70 A71 N72 | R64-E68 WeakPolarHBondContact CG-OE1 3.26Å; R64-E68 IonicContact CZ-OE1 3.27Å; R64-E68 IonicContact NE-OE1 3.14Å; R64-E68 PolarHBondContact NE-OE1 3.3Å; R64-E68 IonicContact NH2-OE1 3.9Å; R64-E68 WeakPolarHBondContact O-CG 3.5Å; R64-E68 PolarHBondContact O-N 3.45Å; Q65-E68 PolarHBondContact O-N 2.95Å; E68-Q70 VanDerWaalsContact C-N 3.34Å; E68-Q70 PolarHBondContact O-N 3.37Å; E68-A71 PolarHBondContact O-N 3.41Å; E68-N72 PolarHBondContact O-N 3.21Å; E68-N72 VanDerWaalsContact O-N 3.12Å |
| 69 | V | 97.3 | Very high | 92.2 | Very high | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | I13 L16 L20 L45 Q65 L66 N72 V73 | I13-V69 HydrophobicContact CG2-CG2 4.28Å; L16-V69 HydrophobicContact CD2-CG1 4.1Å; L20-V69 HydrophobicContact CD1-CG1 3.77Å; L45-V69 HydrophobicContact CD1-CB 4.04Å; L45-V69 HydrophobicContact CD1-CG1 3.65Å; Q65-V69 WeakPolarHBondContact O-CG2 3.41Å; Q65-V69 PolarHBondContact O-N 3.28Å; L66-V69 PolarHBondContact O-N 2.8Å; V69-N72 PolarHBondContact O-N 3.26Å; V69-V73 WeakPolarHBondContact O-CG1 3Å; V69-V73 PolarHBondContact O-N 3.43Å |
| 70 | Q | 96.8 | Very high | 93.7 | Very high | 57 Ų | 57 | 58.7 Ų | 58.7 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 176.3 | -174.8 | -137.5 | -13.1 | 0 | 0 | 111.8 | E42 L45 P46 L66 R67 E68 N72 V73 S74 | E42-Q70 HydrophobicContact CG-CG 4.39Å; L45-Q70 HydrophobicContact CB-CB 4.04Å; L45-Q70 HydrophobicContact CB-CG 4.44Å; L45-Q70 HydrophobicContact CD1-CB 4.09Å; P46-Q70 HydrophobicContact CG-CG 3.93Å; L66-Q70 WeakPolarHBondContact O-CB 3.13Å; L66-Q70 PolarHBondContact O-N 3.1Å; R67-Q70 WeakPolarHBondContact O-CB 3.23Å; R67-Q70 PolarHBondContact O-N 2.73Å; E68-Q70 VanDerWaalsContact C-N 3.34Å; E68-Q70 PolarHBondContact O-N 3.37Å; Q70-N72 VanDerWaalsContact C-N 3.33Å; Q70-N72 PolarHBondContact O-N 2.88Å; Q70-V73 WeakPolarHBondContact O-CG1 3.3Å; Q70-V73 PolarHBondContact O-N 3.13Å; Q70-S74 WeakPolarHBondContact O-CB 3.21Å; Q70-S74 PolarHBondContact O-N 2.81Å |
| 71 | A | 97.1 | Very high | 94.9 | Very high | 51 Ų | 51 | 52.6 Ų | 52.6 | 42% | 0.421 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | R67 E68 S74 T75 | R67-A71 PolarHBondContact O-N 3.04Å; E68-A71 PolarHBondContact O-N 3.41Å; A71-S74 WeakPolarHBondContact O-CB 3.42Å; A71-S74 PolarHBondContact O-N 3.46Å; A71-T75 PolarHBondContact O-N 3.07Å; A71-T75 PolarHBondContact O-OG1 3.44Å |
| 72 | N | 96.8 | Very high | 95.3 | Very high | 103 Ų | 103 | 54.2 Ų | 54.2 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.3 | -45.8 | 178.8 | -68.7 | -11.7 | 0 | 0 | 0 | 112.5 | E68 V69 Q70 S74 T75 L76 | E68-N72 PolarHBondContact O-N 3.21Å; E68-N72 VanDerWaalsContact O-N 3.12Å; V69-N72 PolarHBondContact O-N 3.26Å; Q70-N72 VanDerWaalsContact C-N 3.33Å; Q70-N72 PolarHBondContact O-N 2.88Å; N72-S74 VanDerWaalsContact C-N 3.31Å; N72-S74 PolarHBondContact O-N 3.46Å; N72-T75 PolarHBondContact O-N 3.12Å; N72-L76 PolarHBondContact O-N 2.99Å |
| 73 | V | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.8 | -32.3 | 177.9 | 69.6 | 0 | 0 | 0 | 0 | 111.9 | L20 F38 I41 E42 L45 V69 Q70 L76 A77 | L20-V73 HydrophobicContact CD1-CB 4.15Å; L20-V73 HydrophobicContact CD2-CB 4.05Å; L20-V73 HydrophobicContact CD2-CG2 3.76Å; F38-V73 HydrophobicContact CB-CG2 3.78Å; F38-V73 HydrophobicContact CD1-CG2 4.42Å; F38-V73 HydrophobicContact CG-CG2 4.36Å; F38-V73 WeakPolarHBondContact O-CG2 3.42Å; I41-V73 HydrophobicContact CB-CG2 4.16Å; I41-V73 HydrophobicContact CG2-CB 4.27Å; I41-V73 HydrophobicContact CG2-CG1 4.09Å; I41-V73 HydrophobicContact CG2-CG2 3.99Å; E42-V73 HydrophobicContact CB-CG1 3.76Å; E42-V73 HydrophobicContact CG-CG1 4.19Å; L45-V73 HydrophobicContact CD1-CG1 4.32Å; V69-V73 WeakPolarHBondContact O-CG1 3Å; V69-V73 PolarHBondContact O-N 3.43Å; Q70-V73 WeakPolarHBondContact O-CG1 3.3Å; Q70-V73 PolarHBondContact O-N 3.13Å; V73-L76 PolarHBondContact O-N 2.93Å; V73-A77 VanDerWaalsContact O-CB 3.26Å; V73-A77 WeakPolarHBondContact O-CB 3.33Å; V73-A77 PolarHBondContact O-N 3.31Å |
| 74 | S | 97.2 | Very high | 95.6 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 19% | 0.189 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.3 | -46.8 | 174.8 | -167.4 | 0 | 0 | 0 | 0 | 111.1 | E42 Q70 A71 N72 L76 A77 N78 | E42-S74 WeakPolarHBondContact OE1-CB 3.46Å; E42-S74 PolarHBondContact OE1-OG 2.95Å; Q70-S74 WeakPolarHBondContact O-CB 3.21Å; Q70-S74 PolarHBondContact O-N 2.81Å; A71-S74 WeakPolarHBondContact O-CB 3.42Å; A71-S74 PolarHBondContact O-N 3.46Å; N72-S74 VanDerWaalsContact C-N 3.31Å; N72-S74 PolarHBondContact O-N 3.46Å; S74-L76 VanDerWaalsContact C-N 3.34Å; S74-L76 PolarHBondContact O-N 3.41Å; S74-A77 PolarHBondContact O-N 3.1Å; S74-N78 WeakPolarHBondContact O-CB 2.79Å; S74-N78 PolarHBondContact O-N 3.19Å; S74-N78 PolarHBondContact O-ND2 3.29Å |
| 75 | T | 97.1 | Very high | 95.6 | Very high | 99 Ų | 99 | 50 Ų | 50 | 61% | 0.607 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.5 | -46 | 174.2 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | A71 N72 N78 A79 | A71-T75 PolarHBondContact O-N 3.07Å; A71-T75 PolarHBondContact O-OG1 3.44Å; N72-T75 PolarHBondContact O-N 3.12Å; T75-N78 PolarHBondContact O-N 3.24Å; T75-A79 WeakPolarHBondContact O-CB 3.44Å; T75-A79 PolarHBondContact O-N 2.83Å |
| 76 | L | 96.9 | Very high | 95.7 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.052 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 176.7 | 176.1 | 59.9 | 0 | 0 | 0 | 112.3 | L20 C23 F38 N72 V73 S74 N78 A79 A80 | L20-L76 HydrophobicContact CB-CD2 4.5Å; L20-L76 HydrophobicContact CD2-CD2 3.91Å; C23-L76 HydrophobicContact CB-CD2 3.82Å; F38-L76 HydrophobicContact CD1-CD2 4.31Å; F38-L76 HydrophobicContact CD2-CD2 4.2Å; F38-L76 HydrophobicContact CD2-CG 4.11Å; F38-L76 HydrophobicContact CE1-CD2 4.07Å; F38-L76 HydrophobicContact CE2-CD2 3.93Å; F38-L76 HydrophobicContact CE2-CG 4Å; F38-L76 HydrophobicContact CG-CD2 4.41Å; F38-L76 HydrophobicContact CZ-CD2 3.89Å; F38-L76 HydrophobicContact CZ-CG 4.46Å; N72-L76 PolarHBondContact O-N 2.99Å; V73-L76 PolarHBondContact O-N 2.93Å; S74-L76 VanDerWaalsContact C-N 3.34Å; S74-L76 PolarHBondContact O-N 3.41Å; L76-N78 VanDerWaalsContact C-N 3.31Å; L76-N78 PolarHBondContact O-N 2.6Å; L76-A79 PolarHBondContact O-N 2.74Å; L76-A80 WeakPolarHBondContact O-CB 3.35Å; L76-A80 PolarHBondContact O-N 2.62Å |
| 77 | A | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -41.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L35 F38 V73 S74 A80 I81 | L35-A77 HydrophobicContact CD1-CB 3.93Å; L35-A77 WeakPolarHBondContact CD1-O 3.2Å; F38-A77 HydrophobicContact CB-CB 3.94Å; V73-A77 VanDerWaalsContact O-CB 3.26Å; V73-A77 WeakPolarHBondContact O-CB 3.33Å; V73-A77 PolarHBondContact O-N 3.31Å; S74-A77 PolarHBondContact O-N 3.1Å; A77-A80 PolarHBondContact O-N 3.12Å; A77-I81 PolarHBondContact O-N 3.47Å |
| 78 | N | 96 | Very high | 95.1 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 43% | 0.428 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.6 | -41.4 | 177.2 | -67.8 | -31.9 | 0 | 0 | 0 | 112.1 | R39 S74 T75 L76 A80 I81 | R39-N78 PolarHBondContact NH1-OD1 2.69Å; R39-N78 PolarHBondContact NH2-OD1 2.57Å; S74-N78 WeakPolarHBondContact O-CB 2.79Å; S74-N78 PolarHBondContact O-N 3.19Å; S74-N78 PolarHBondContact O-ND2 3.29Å; T75-N78 PolarHBondContact O-N 3.24Å; L76-N78 VanDerWaalsContact C-N 3.31Å; L76-N78 PolarHBondContact O-N 2.6Å; N78-A80 VanDerWaalsContact C-N 3.27Å; N78-A80 PolarHBondContact O-N 3.27Å; N78-I81 PolarHBondContact O-N 2.93Å |
| 79 | A | 95.7 | Very high | 94.8 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.7 | -28.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | T75 L76 P82 H83 | T75-A79 WeakPolarHBondContact O-CB 3.44Å; T75-A79 PolarHBondContact O-N 2.83Å; L76-A79 PolarHBondContact O-N 2.74Å; A79-P82 WeakPolarHBondContact O-CD 3.32Å; A79-H83 PolarHBondContact O-CD2 3.07Å |
| 80 | A | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -77.4 | -22 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | V30 L35 L76 A77 N78 H83 V84 | V30-A80 HydrophobicContact CB-CB 4.16Å; V30-A80 HydrophobicContact CG1-CB 3.75Å; V30-A80 HydrophobicContact CG2-CB 4.43Å; L35-A80 HydrophobicContact CD1-CB 4.44Å; L76-A80 WeakPolarHBondContact O-CB 3.35Å; L76-A80 PolarHBondContact O-N 2.62Å; A77-A80 PolarHBondContact O-N 3.12Å; N78-A80 VanDerWaalsContact C-N 3.27Å; N78-A80 PolarHBondContact O-N 3.27Å; A80-H83 PolarHBondContact O-N 3.38Å; A80-H83 VanDerWaalsContact O-N 3.16Å; A80-V84 WeakPolarHBondContact O-CG2 3.01Å; A80-V84 PolarHBondContact O-N 3.5Å |
| 81 | I | 95 | Very high | 93.5 | Very high | 38 Ų | 38 | 54.6 Ų | 54.6 | 20% | 0.195 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.1 | -49.9 | -176.2 | -75.4 | 168.3 | 0 | 0 | 0 | 112.7 | L35 A77 N78 H83 V84 L85 F92 | L35-I81 HydrophobicContact CD1-CG1 4.46Å; L35-I81 HydrophobicContact CD2-CG1 4.02Å; A77-I81 PolarHBondContact O-N 3.47Å; N78-I81 PolarHBondContact O-N 2.93Å; I81-H83 VanDerWaalsContact C-N 3.31Å; I81-H83 PolarHBondContact O-N 3.24Å; I81-V84 PolarHBondContact O-N 2.83Å; I81-L85 HydrophobicContact CG2-CD1 3.81Å; I81-L85 HydrophobicContact CG2-CG 4.42Å; I81-L85 WeakPolarHBondContact O-CB 3.17Å; I81-L85 PolarHBondContact O-N 3.49Å; I81-F92 HydrophobicContact CG1-CE2 4.45Å; I81-F92 HydrophobicContact CG2-CE2 4.36Å; I81-F92 HydrophobicContact CG2-CZ 4.1Å |
| 82 | P | 95.2 | Very high | 92.9 | Very high | 78 Ų | 78 | 52.6 Ų | 52.6 | 51% | 0.506 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.6 | -41.5 | 179.2 | -25.3 | 35.4 | 0 | 0 | 0 | 112.8 | A79 L85 E86 | A79-P82 WeakPolarHBondContact O-CD 3.32Å; P82-L85 PolarHBondContact O-N 3.27Å; P82-E86 PolarHBondContact O-N 3.15Å |
| 83 | H | 94.8 | Very high | 92.3 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 25% | 0.25 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.1 | -40.7 | 178.8 | -59 | -55 | 0 | 0 | 0 | 112.3 | S27 A79 A80 I81 L85 E86 N87 | S27-H83 PolarHBondContact O-CD2 3.44Å; S27-H83 PolarHBondContact OG-NE2 3.48Å; A79-H83 PolarHBondContact O-CD2 3.07Å; A80-H83 PolarHBondContact O-N 3.38Å; A80-H83 VanDerWaalsContact O-N 3.16Å; I81-H83 VanDerWaalsContact C-N 3.31Å; I81-H83 PolarHBondContact O-N 3.24Å; H83-L85 VanDerWaalsContact C-N 3.34Å; H83-E86 PolarHBondContact O-N 3.2Å; H83-N87 WeakPolarHBondContact O-CB 3.14Å; H83-N87 PolarHBondContact O-N 2.66Å; H83-N87 PolarHBondContact O-ND2 2.92Å |
| 84 | V | 92.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 175.7 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | V30 S32 L35 A80 I81 E86 D88 F92 | V30-V84 HydrophobicContact CG1-CG2 4.01Å; V30-V84 WeakPolarHBondContact O-CG2 3.31Å; S32-V84 WeakPolarHBondContact OG-CG1 2.96Å; L35-V84 HydrophobicContact CB-CG2 4.07Å; L35-V84 HydrophobicContact CD2-CB 4.26Å; L35-V84 HydrophobicContact CD2-CG1 4.27Å; L35-V84 HydrophobicContact CD2-CG2 4.1Å; A80-V84 WeakPolarHBondContact O-CG2 3.01Å; A80-V84 PolarHBondContact O-N 3.5Å; I81-V84 PolarHBondContact O-N 2.83Å; V84-E86 VanDerWaalsContact C-N 3.3Å; V84-E86 PolarHBondContact O-N 2.82Å; V84-D88 CarbonylContact O-C 3.6Å; V84-D88 VanDerWaalsContact O-C 3.27Å; V84-D88 WeakPolarHBondContact O-CA 3.42Å; V84-D88 PolarHBondContact O-N 2.83Å; V84-F92 HydrophobicContact CG1-CB 4.21Å; V84-F92 HydrophobicContact CG1-CD2 3.77Å; V84-F92 HydrophobicContact CG1-CG 4.39Å |
| 85 | L | 93.3 | Very high | 90.4 | Very high | 66 Ų | 66 | 53.7 Ų | 53.7 | 35% | 0.346 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 173.9 | -83.6 | 169.5 | 0 | 0 | 0 | 112.2 | I81 P82 H83 A89 F92 | I81-L85 HydrophobicContact CG2-CD1 3.81Å; I81-L85 HydrophobicContact CG2-CG 4.42Å; I81-L85 WeakPolarHBondContact O-CB 3.17Å; I81-L85 PolarHBondContact O-N 3.49Å; P82-L85 PolarHBondContact O-N 3.27Å; H83-L85 VanDerWaalsContact C-N 3.34Å; L85-A89 WeakPolarHBondContact O-CA 2.87Å; L85-A89 WeakPolarHBondContact O-CB 2.8Å; L85-A89 PolarHBondContact O-N 2.81Å; L85-F92 HydrophobicContact CD1-CE1 4.3Å; L85-F92 HydrophobicContact CD2-CB 4.35Å; L85-F92 HydrophobicContact CD2-CD1 3.22Å; L85-F92 HydrophobicContact CD2-CE1 3.57Å; L85-F92 HydrophobicContact CD2-CG 3.85Å; L85-F92 HydrophobicContact CD2-CZ 4.45Å; L85-F92 HydrophobicContact CG-CD1 3.89Å; L85-F92 HydrophobicContact CG-CE1 3.96Å; L85-F92 HydrophobicContact CG-CG 4.23Å; L85-F92 HydrophobicContact CG-CZ 4.37Å |
| 86 | E | 94.3 | Very high | 89.8 | Confident | 152 Ų | 152 | 53.3 Ų | 53.3 | 71% | 0.71 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -71.7 | -46.7 | 176.5 | -174 | 175.3 | -171.7 | 0 | 0 | 111.8 | P82 H83 V84 | P82-E86 PolarHBondContact O-N 3.15Å; H83-E86 PolarHBondContact O-N 3.2Å; V84-E86 VanDerWaalsContact C-N 3.3Å; V84-E86 PolarHBondContact O-N 2.82Å |
| 87 | N | 89.7 | Confident | 88.8 | Confident | 95 Ų | 95 | 54.3 Ų | 54.3 | 51% | 0.508 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -84.7 | -29 | -172.5 | -66.8 | -31.7 | 0 | 0 | 0 | 114 | S28 H83 | S28-N87 PolarHBondContact O-ND2 2.96Å; H83-N87 WeakPolarHBondContact O-CB 3.14Å; H83-N87 PolarHBondContact O-N 2.66Å; H83-N87 PolarHBondContact O-ND2 2.92Å |
| 88 | D | 87.6 | Confident | 87.5 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 18% | 0.182 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -147.5 | 43.5 | -171.1 | -169.8 | 17 | 0 | 0 | 0 | 112.6 | S32 V84 K90 T91 F92 | S32-D88 VanDerWaalsContact CB-OD2 3.23Å; S32-D88 WeakPolarHBondContact CB-OD2 3.48Å; S32-D88 PolarHBondContact OG-OD2 3.42Å; V84-D88 CarbonylContact O-C 3.6Å; V84-D88 VanDerWaalsContact O-C 3.27Å; V84-D88 WeakPolarHBondContact O-CA 3.42Å; V84-D88 PolarHBondContact O-N 2.83Å; D88-K90 PolarHBondContact O-N 2.68Å; D88-K90 VanDerWaalsContact O-N 3.13Å; D88-T91 VanDerWaalsContact CG-CB 3.48Å; D88-T91 PolarHBondContact O-N 3.29Å; D88-T91 WeakPolarHBondContact OD1-CB 3.48Å; D88-T91 PolarHBondContact OD1-OG1 2.98Å; D88-T91 VanDerWaalsContact OD2-CB 3.25Å; D88-T91 WeakPolarHBondContact OD2-CB 3.37Å; D88-T91 PolarHBondContact OD2-OG1 3.46Å; D88-F92 WeakPolarHBondContact O-CB 3.15Å; D88-F92 PolarHBondContact O-N 2.97Å |
| 89 | A | 89.2 | Confident | 86.8 | Confident | 40 Ų | 40 | 50.7 Ų | 50.7 | 33% | 0.331 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -49.5 | -42.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L85 F92 L93 | L85-A89 WeakPolarHBondContact O-CA 2.87Å; L85-A89 WeakPolarHBondContact O-CB 2.8Å; L85-A89 PolarHBondContact O-N 2.81Å; A89-F92 PolarHBondContact O-N 3.47Å; A89-L93 WeakPolarHBondContact O-CB 3.33Å; A89-L93 VanDerWaalsContact O-CG 3.22Å; A89-L93 WeakPolarHBondContact O-CG 3.44Å; A89-L93 PolarHBondContact O-N 3.28Å |
| 90 | K | 87.3 | Confident | 86.1 | Confident | 149 Ų | 149 | 50 Ų | 50 | 65% | 0.648 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.4 | -45.2 | -173.9 | -176.6 | -178.2 | 178.6 | -177 | 0 | 111.5 | D88 K94 | D88-K90 PolarHBondContact O-N 2.68Å; D88-K90 VanDerWaalsContact O-N 3.13Å; K90-K94 WeakPolarHBondContact O-CG 3.37Å |
| 91 | T | 79.3 | Confident | 85.5 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 12% | 0.117 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.4 | -46.7 | 177.3 | -49.8 | 0 | 0 | 0 | 0 | 109.1 | D88 L93 K94 V95 | D88-T91 VanDerWaalsContact CG-CB 3.48Å; D88-T91 PolarHBondContact O-N 3.29Å; D88-T91 WeakPolarHBondContact OD1-CB 3.48Å; D88-T91 PolarHBondContact OD1-OG1 2.98Å; D88-T91 VanDerWaalsContact OD2-CB 3.25Å; D88-T91 WeakPolarHBondContact OD2-CB 3.37Å; D88-T91 PolarHBondContact OD2-OG1 3.46Å; T91-L93 PolarHBondContact O-N 3.07Å; T91-K94 PolarHBondContact O-N 2.72Å; T91-K94 VanDerWaalsContact O-N 3.1Å; T91-V95 HydrophobicContact CG2-CG2 4.37Å; T91-V95 WeakPolarHBondContact O-CG2 3.31Å; T91-V95 PolarHBondContact O-N 3.45Å |
| 92 | F | 84.4 | Confident | 85 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.035 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.1 | -49.8 | -179.6 | -177.8 | -84 | 0 | 0 | 0 | 112.3 | L35 I81 V84 L85 D88 A89 K94 V95 K96 L99 | L35-F92 HydrophobicContact CD2-CD2 4.15Å; L35-F92 HydrophobicContact CD2-CE2 3.82Å; I81-F92 HydrophobicContact CG1-CE2 4.45Å; I81-F92 HydrophobicContact CG2-CE2 4.36Å; I81-F92 HydrophobicContact CG2-CZ 4.1Å; V84-F92 HydrophobicContact CG1-CB 4.21Å; V84-F92 HydrophobicContact CG1-CD2 3.77Å; V84-F92 HydrophobicContact CG1-CG 4.39Å; L85-F92 HydrophobicContact CD1-CE1 4.3Å; L85-F92 HydrophobicContact CD2-CB 4.35Å; L85-F92 HydrophobicContact CD2-CD1 3.22Å; L85-F92 HydrophobicContact CD2-CE1 3.57Å; L85-F92 HydrophobicContact CD2-CG 3.85Å; L85-F92 HydrophobicContact CD2-CZ 4.45Å; L85-F92 HydrophobicContact CG-CD1 3.89Å; L85-F92 HydrophobicContact CG-CE1 3.96Å; L85-F92 HydrophobicContact CG-CG 4.23Å; L85-F92 HydrophobicContact CG-CZ 4.37Å; D88-F92 WeakPolarHBondContact O-CB 3.15Å; D88-F92 PolarHBondContact O-N 2.97Å; A89-F92 PolarHBondContact O-N 3.47Å; F92-K94 VanDerWaalsContact C-N 3.29Å; F92-K94 PolarHBondContact O-N 3.47Å; F92-V95 CarbonylContact O-C 3.27Å; F92-V95 PolarHBondContact O-N 3.26Å; F92-V95 VanDerWaalsContact O-N 3.13Å; F92-K96 HydrophobicContact CE1-CB 4.27Å; F92-K96 HydrophobicContact CE1-CD 4.41Å; F92-K96 HydrophobicContact CE1-CG 3.84Å; F92-K96 HydrophobicContact CZ-CG 4.29Å; F92-K96 WeakPolarHBondContact O-CA 2.84Å; F92-K96 WeakPolarHBondContact O-CB 2.95Å; F92-K96 PolarHBondContact O-N 2.97Å; F92-L99 HydrophobicContact CB-CD1 4.25Å; F92-L99 HydrophobicContact CD2-CB 4.07Å; F92-L99 HydrophobicContact CD2-CD1 3.47Å; F92-L99 VanDerWaalsContact CD2-CD1 3.47Å; F92-L99 HydrophobicContact CD2-CG 4.43Å; F92-L99 HydrophobicContact CE2-CB 3.85Å; F92-L99 HydrophobicContact CE2-CD1 4.13Å; F92-L99 HydrophobicContact CG-CD1 4.13Å |
| 93 | L | 85.5 | Confident | 84 | Confident | 106 Ų | 106 | 51.1 Ų | 51.1 | 56% | 0.555 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.4 | -33.3 | -178.8 | -71.3 | 172.9 | 0 | 0 | 0 | 112.8 | A89 T91 V95 | A89-L93 WeakPolarHBondContact O-CB 3.33Å; A89-L93 VanDerWaalsContact O-CG 3.22Å; A89-L93 WeakPolarHBondContact O-CG 3.44Å; A89-L93 PolarHBondContact O-N 3.28Å; T91-L93 PolarHBondContact O-N 3.07Å; L93-V95 VanDerWaalsContact C-N 3.3Å; L93-V95 PolarHBondContact O-N 3.38Å |
| 94 | K | 78.5 | Confident | 83 | Confident | 48 Ų | 48 | 53.2 Ų | 53.2 | 21% | 0.209 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.5 | -27.1 | 176.8 | -73.3 | -177.7 | 176.9 | -161.1 | 0 | 113.2 | K90 T91 F92 L142 | K90-K94 WeakPolarHBondContact O-CG 3.37Å; T91-K94 PolarHBondContact O-N 2.72Å; T91-K94 VanDerWaalsContact O-N 3.1Å; F92-K94 VanDerWaalsContact C-N 3.29Å; F92-K94 PolarHBondContact O-N 3.47Å; K94-L142 HydrophobicContact CD-CB 4.11Å; K94-L142 HydrophobicContact CD-CD1 4.33Å; K94-L142 HydrophobicContact CD-CD2 4.11Å; K94-L142 HydrophobicContact CD-CG 4.44Å |
| 95 | V | 75.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 25.8 | -174.9 | -64.5 | 0 | 0 | 0 | 0 | 112.7 | T91 F92 L93 N97 F98 L99 L145 P195 | T91-V95 HydrophobicContact CG2-CG2 4.37Å; T91-V95 WeakPolarHBondContact O-CG2 3.31Å; T91-V95 PolarHBondContact O-N 3.45Å; F92-V95 CarbonylContact O-C 3.27Å; F92-V95 PolarHBondContact O-N 3.26Å; F92-V95 VanDerWaalsContact O-N 3.13Å; L93-V95 VanDerWaalsContact C-N 3.3Å; L93-V95 PolarHBondContact O-N 3.38Å; V95-N97 VanDerWaalsContact C-N 3.33Å; V95-N97 PolarHBondContact O-N 2.85Å; V95-F98 HydrophobicContact CB-CD2 3.87Å; V95-F98 HydrophobicContact CG1-CD2 4.2Å; V95-F98 WeakPolarHBondContact O-CA 3.47Å; V95-F98 WeakPolarHBondContact O-CB 3.36Å; V95-F98 PolarHBondContact O-N 3.23Å; V95-L99 HydrophobicContact CG2-CD1 3.62Å; V95-L99 HydrophobicContact CG2-CG 3.88Å; V95-L99 PolarHBondContact O-N 2.99Å; V95-L145 HydrophobicContact CG1-CB 4.37Å; V95-L145 HydrophobicContact CG1-CD1 3.81Å; V95-P195 HydrophobicContact CB-CB 4.16Å; V95-P195 HydrophobicContact CB-CG 3.97Å; V95-P195 HydrophobicContact CG1-CB 4.17Å; V95-P195 HydrophobicContact CG1-CG 3.99Å; V95-P195 HydrophobicContact CG2-CB 3.84Å; V95-P195 HydrophobicContact CG2-CG 4.19Å |
| 96 | K | 84.2 | Confident | 80.5 | Confident | 91 Ų | 91 | 55.4 Ų | 55.4 | 40% | 0.396 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.3 | -44.7 | -170.7 | 177.4 | -176.9 | 174.1 | -170.9 | 0 | 112.4 | F92 F98 L99 S100 | F92-K96 HydrophobicContact CE1-CB 4.27Å; F92-K96 HydrophobicContact CE1-CD 4.41Å; F92-K96 HydrophobicContact CE1-CG 3.84Å; F92-K96 HydrophobicContact CZ-CG 4.29Å; F92-K96 WeakPolarHBondContact O-CA 2.84Å; F92-K96 WeakPolarHBondContact O-CB 2.95Å; F92-K96 PolarHBondContact O-N 2.97Å; K96-F98 PolarHBondContact O-N 2.91Å; K96-L99 PolarHBondContact O-N 3.2Å; K96-S100 WeakPolarHBondContact O-CB 3.07Å; K96-S100 PolarHBondContact O-N 2.98Å; K96-S100 PolarHBondContact O-OG 3.21Å |
| 97 | N | 76 | Confident | 79.2 | Confident | 30 Ų | 30 | 49.3 Ų | 49.3 | 16% | 0.16 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.1 | -23.5 | -178.9 | -70.7 | -28.4 | 0 | 0 | 0 | 112.8 | V95 S100 N149 M152 E153 | V95-N97 VanDerWaalsContact C-N 3.33Å; V95-N97 PolarHBondContact O-N 2.85Å; N97-S100 WeakPolarHBondContact CA-OG 3.45Å; N97-N149 WeakPolarHBondContact CB-OD1 3.08Å; N97-N149 PolarHBondContact N-OD1 3.47Å; N97-N149 PolarHBondContact ND2-O 3.32Å; N97-N149 PolarHBondContact ND2-OD1 3.27Å; N97-M152 HydrophobicContact CB-CB 4.45Å; N97-M152 HydrophobicContact CB-CE 3.43Å; N97-M152 VanDerWaalsContact CB-CE 3.43Å; N97-M152 HydrophobicContact CB-SD 4.26Å; N97-M152 WeakPolarHBondContact ND2-CB 3.46Å; N97-E153 WeakPolarHBondContact ND2-CG 3.32Å |
| 98 | F | 69.3 | Low | 78.4 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.2 | -65.5 | 167 | -54.4 | -64.9 | 0 | 0 | 0 | 107.4 | V95 K96 S100 Q101 Y103 L145 M152 Y191 P195 | V95-F98 HydrophobicContact CB-CD2 3.87Å; V95-F98 HydrophobicContact CG1-CD2 4.2Å; V95-F98 WeakPolarHBondContact O-CA 3.47Å; V95-F98 WeakPolarHBondContact O-CB 3.36Å; V95-F98 PolarHBondContact O-N 3.23Å; K96-F98 PolarHBondContact O-N 2.91Å; F98-S100 PolarHBondContact O-N 3.05Å; F98-Q101 PolarHBondContact O-N 3.34Å; F98-Y103 HydrophobicContact CB-CE1 4.33Å; F98-Y103 WeakPolarHBondContact O-CE1 3.23Å; F98-Y103 PolarHBondContact O-OH 3.35Å; F98-L145 HydrophobicContact CE2-CD2 3.91Å; F98-L145 HydrophobicContact CZ-CD2 4.35Å; F98-M152 HydrophobicContact CD1-CE 4.29Å; F98-M152 HydrophobicContact CD2-CE 4.47Å; F98-M152 HydrophobicContact CE1-CE 3.59Å; F98-M152 HydrophobicContact CE1-SD 4.32Å; F98-M152 HydrophobicContact CE2-CE 3.87Å; F98-M152 HydrophobicContact CZ-CE 3.39Å; F98-Y191 WeakPolarHBondContact CD1-O 3.33Å; F98-Y191 HydrophobicContact CE1-CD2 4.19Å; F98-Y191 AromaticContact CE1-CG 3.83Å; F98-Y191 HydrophobicContact CE1-CG 3.83Å; F98-Y191 HydrophobicContact CZ-CG 4.35Å; F98-P195 HydrophobicContact CB-CG 4.21Å |
| 99 | L | 81.1 | Confident | 77.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -16.4 | -171.3 | -60 | 179.2 | 0 | 0 | 0 | 116.2 | S32 L35 L36 R39 F92 V95 K96 Y103 | S32-L99 WeakPolarHBondContact O-CD2 3.32Å; L35-L99 HydrophobicContact CD2-CB 3.96Å; L35-L99 HydrophobicContact CD2-CD1 4.47Å; L35-L99 HydrophobicContact CG-CB 4.36Å; L35-L99 HydrophobicContact CG-CD2 4.41Å; L36-L99 HydrophobicContact CB-CD2 3.65Å; L36-L99 HydrophobicContact CD1-CD2 4.16Å; L36-L99 HydrophobicContact CG-CD2 4.48Å; R39-L99 WeakPolarHBondContact CG-O 3.49Å; R39-L99 PolarHBondContact NE-O 3.06Å; R39-L99 VanDerWaalsContact NE-O 3.08Å; F92-L99 HydrophobicContact CB-CD1 4.25Å; F92-L99 HydrophobicContact CD2-CB 4.07Å; F92-L99 HydrophobicContact CD2-CD1 3.47Å; F92-L99 VanDerWaalsContact CD2-CD1 3.47Å; F92-L99 HydrophobicContact CD2-CG 4.43Å; F92-L99 HydrophobicContact CE2-CB 3.85Å; F92-L99 HydrophobicContact CE2-CD1 4.13Å; F92-L99 HydrophobicContact CG-CD1 4.13Å; V95-L99 HydrophobicContact CG2-CD1 3.62Å; V95-L99 HydrophobicContact CG2-CG 3.88Å; V95-L99 PolarHBondContact O-N 2.99Å; K96-L99 PolarHBondContact O-N 3.2Å; L99-Y103 PolarHBondContact N-OH 2.87Å |
| 100 | S | 81.2 | Confident | 77.6 | Confident | 38 Ų | 38 | 54.1 Ų | 54.1 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -13.8 | -177.9 | 56.5 | 0 | 0 | 0 | 0 | 115 | K96 N97 F98 | K96-S100 WeakPolarHBondContact O-CB 3.07Å; K96-S100 PolarHBondContact O-N 2.98Å; K96-S100 PolarHBondContact O-OG 3.21Å; N97-S100 WeakPolarHBondContact CA-OG 3.45Å; F98-S100 PolarHBondContact O-N 3.05Å |
| 101 | Q | 80.8 | Confident | 77.6 | Confident | 73 Ų | 73 | 49.6 Ų | 49.6 | 34% | 0.341 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -132.9 | 146.3 | -173.4 | -63.4 | -175.1 | 5.2 | 0 | 0 | 112.1 | R39 F98 Y103 | R39-Q101 WeakPolarHBondContact CB-O 3.38Å; F98-Q101 PolarHBondContact O-N 3.34Å; Q101-Y103 WeakPolarHBondContact O-CD1 3.36Å; Q101-Y103 WeakPolarHBondContact O-CE1 3.46Å |
| 102 | P | 84.6 | Confident | 77.8 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 40% | 0.396 | 25% | 0.246 | S | C | . | . | trans | -65.1 | 153.6 | 170.7 | 25.3 | -32.2 | 0 | 0 | 0 | 112.1 | R39 E42 | R39-P102 WeakPolarHBondContact O-CA 3.45Å; E42-P102 HydrophobicContact CB-CB 3.97Å; E42-P102 HydrophobicContact CG-CB 3.74Å; E42-P102 HydrophobicContact CG-CG 4.4Å | ||
| 103 | Y | 74.3 | Confident | 77.7 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | trans | -118.8 | 121 | -177.6 | -33.7 | -68.9 | 0 | 0 | 0 | 114.3 | L36 R39 F40 G43 Q44 F98 L99 Q101 H192 | L36-Y103 HydrophobicContact CD1-CE2 3.53Å; L36-Y103 WeakPolarHBondContact CD1-OH 3.3Å; R39-Y103 HydrophobicContact CB-CD2 3.98Å; R39-Y103 HydrophobicContact CB-CE2 3.24Å; R39-Y103 HydrophobicContact CG-CE2 4.44Å; R39-Y103 PolarHBondContact O-N 3.15Å; R39-Y103 VanDerWaalsContact O-N 3.16Å; F40-Y103 HydrophobicContact CB-CD2 4.06Å; F40-Y103 HydrophobicContact CB-CE2 4.44Å; G43-Y103 CarbonylContact C-O 3.58Å; G43-Y103 WeakPolarHBondContact CA-O 3.46Å; Q44-Y103 PolarHBondContact NE2-O 2.64Å; F98-Y103 HydrophobicContact CB-CE1 4.33Å; F98-Y103 WeakPolarHBondContact O-CE1 3.23Å; F98-Y103 PolarHBondContact O-OH 3.35Å; L99-Y103 PolarHBondContact N-OH 2.87Å; Q101-Y103 WeakPolarHBondContact O-CD1 3.36Å; Q101-Y103 WeakPolarHBondContact O-CE1 3.46Å; Y103-H192 AromaticContact CD1-CE1 3.06Å; Y103-H192 WeakPolarHBondContact CD1-CE1 3.49Å; Y103-H192 AromaticContact CD1-CG 3.91Å; Y103-H192 AromaticContact CD1-ND1 3.02Å; Y103-H192 WeakPolarHBondContact CD1-ND1 3.43Å; Y103-H192 AromaticContact CD1-NE2 3.92Å; Y103-H192 HydrophobicContact CD2-CB 4.45Å; Y103-H192 AromaticContact CD2-ND1 3.88Å; Y103-H192 AromaticContact CE1-CE1 3.67Å; Y103-H192 AromaticContact CE1-ND1 3.43Å; Y103-H192 WeakPolarHBondContact CE1-ND1 2.94Å; Y103-H192 HydrophobicContact CG-CB 4.37Å; Y103-H192 AromaticContact CG-CE1 3.61Å; Y103-H192 AromaticContact CG-CG 3.67Å; Y103-H192 AromaticContact CG-ND1 3.25Å | ||
| 104 | E | 73.8 | Confident | 77.2 | Confident | 98 Ų | 98 | 51.7 Ų | 51.7 | 46% | 0.458 | 26% | 0.264 | S | S | . | . | trans | -99.6 | 114 | 176.4 | -73.4 | -164.2 | -154.9 | 0 | 0 | 110.7 | G43 Y106 P189 | G43-E104 WeakPolarHBondContact O-CG 3.03Å; E104-Y106 HydrophobicContact CB-CE2 3.94Å; E104-Y106 WeakPolarHBondContact CB-OH 3.42Å; E104-Y106 VanDerWaalsContact CG-OH 3.24Å; E104-Y106 WeakPolarHBondContact CG-OH 3.42Å; E104-Y106 PolarHBondContact OE2-OH 2.95Å; E104-P189 HydrophobicContact CB-CB 4.31Å; E104-P189 WeakPolarHBondContact O-CB 3.27Å | ||
| 105 | Y | 67 | Low | 77.1 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | trans | -138.8 | 122.6 | -178.9 | -179 | -109.6 | 0 | 0 | 0 | 113.7 | Q44 P107 H297 F428 L432 | Q44-Y105 PolarHBondContact OE1-O 3.3Å; Y105-P107 VanDerWaalsContact CD1-CD 3.44Å; Y105-P107 HydrophobicContact CD1-CG 3.85Å; Y105-P107 HydrophobicContact CE1-CB 3.74Å; Y105-P107 VanDerWaalsContact CE1-CD 3.41Å; Y105-P107 HydrophobicContact CE1-CG 3.28Å; Y105-P107 HydrophobicContact CE2-CB 4.26Å; Y105-P107 WeakPolarHBondContact OH-CB 3.44Å; Y105-H297 AromaticContact CD1-CE1 2.95Å; Y105-H297 WeakPolarHBondContact CD1-CE1 3.39Å; Y105-H297 AromaticContact CD1-ND1 3.15Å; Y105-H297 WeakPolarHBondContact CD1-ND1 3.06Å; Y105-H297 AromaticContact CE1-CE1 3.48Å; Y105-H297 VanDerWaalsContact CE1-CE1 3.48Å; Y105-H297 WeakPolarHBondContact CE1-CE1 3.41Å; Y105-H297 AromaticContact CE1-ND1 3.32Å; Y105-H297 VanDerWaalsContact CE1-ND1 3.32Å; Y105-H297 WeakPolarHBondContact CE1-ND1 3.49Å; Y105-H297 VanDerWaalsContact CE1-O 3.27Å; Y105-H297 WeakPolarHBondContact CE1-O 3.11Å; Y105-H297 AromaticContact CG-CE1 3.62Å; Y105-F428 HydrophobicContact CE1-CE2 4.27Å; Y105-F428 HydrophobicContact CE1-CZ 4.19Å; Y105-L432 HydrophobicContact CD2-CD2 3.76Å; Y105-L432 HydrophobicContact CE1-CD2 4.19Å; Y105-L432 HydrophobicContact CE2-CD2 2.99Å; Y105-L432 HydrophobicContact CE2-CG 4.5Å; Y105-L432 VanDerWaalsContact OH-CD2 3.24Å; Y105-L432 WeakPolarHBondContact OH-CD2 3.14Å | ||
| 106 | Y | 65.8 | Low | 77 | Confident | 86 Ų | 86 | 55.9 Ų | 55.9 | 34% | 0.337 | 29% | 0.292 | S | S | . | . | trans | -132.8 | 81.6 | -170.7 | -41.3 | -55.9 | 0 | 0 | 0 | 112 | A47 E104 R354 | A47-Y106 HydrophobicContact CB-CD1 4.02Å; A47-Y106 HydrophobicContact CB-CE1 2.98Å; A47-Y106 HydrophobicContact CB-CE2 4.46Å; A47-Y106 WeakPolarHBondContact CB-OH 3.37Å; E104-Y106 HydrophobicContact CB-CE2 3.94Å; E104-Y106 WeakPolarHBondContact CB-OH 3.42Å; E104-Y106 VanDerWaalsContact CG-OH 3.24Å; E104-Y106 WeakPolarHBondContact CG-OH 3.42Å; E104-Y106 PolarHBondContact OE2-OH 2.95Å; Y106-R354 VanDerWaalsContact CD1-NH1 3.3Å | ||
| 107 | P | 68.8 | Low | 76.3 | Confident | 24 Ų | 24 | 54.8 Ų | 54.8 | 16% | 0.156 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 144.8 | 176.7 | 39 | -39 | 0 | 0 | 0 | 111.2 | Y105 R109 S299 R435 | Y105-P107 VanDerWaalsContact CD1-CD 3.44Å; Y105-P107 HydrophobicContact CD1-CG 3.85Å; Y105-P107 HydrophobicContact CE1-CB 3.74Å; Y105-P107 VanDerWaalsContact CE1-CD 3.41Å; Y105-P107 HydrophobicContact CE1-CG 3.28Å; Y105-P107 HydrophobicContact CE2-CB 4.26Å; Y105-P107 WeakPolarHBondContact OH-CB 3.44Å; P107-R109 PolarHBondContact O-N 3.21Å; P107-S299 WeakPolarHBondContact CB-OG 3.49Å; P107-S299 WeakPolarHBondContact CG-OG 3.15Å; P107-R435 VanDerWaalsContact CB-NH1 3.33Å |
| 108 | N | 72.2 | Confident | 75.7 | Confident | 129 Ų | 129 | 58.6 Ų | 58.6 | 69% | 0.69 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 130.8 | 168.3 | -63.8 | -2.3 | 0 | 0 | 0 | 110.5 | S299 | N108-S299 WeakPolarHBondContact O-CB 3.38Å; N108-S299 PolarHBondContact O-OG 3.47Å |
| 109 | R | 77.7 | Confident | 74.7 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 31% | 0.313 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 148.9 | 176.4 | -66.9 | -111.9 | -174.2 | 172.5 | 14 | 111.5 | P107 S299 D360 | P107-R109 PolarHBondContact O-N 3.21Å; R109-S299 CarbonylContact C-O 3.43Å; R109-D360 WeakPolarHBondContact CD-OD2 3.3Å; R109-D360 IonicContact CZ-OD1 3.37Å; R109-D360 IonicContact CZ-OD2 3.08Å; R109-D360 IonicContact NE-OD1 3.45Å; R109-D360 IonicContact NE-OD2 2.98Å; R109-D360 PolarHBondContact NE-OD2 2.79Å; R109-D360 PolarHBondContact NH1-O 3.37Å; R109-D360 IonicContact NH1-OD1 3.3Å; R109-D360 IonicContact NH1-OD2 3.85Å; R109-D360 VanDerWaalsContact NH2-CB 3.27Å; R109-D360 VanDerWaalsContact NH2-CG 3.35Å; R109-D360 PolarHBondContact NH2-O 2.66Å; R109-D360 IonicContact NH2-OD2 3.82Å; R109-D360 PolarHBondContact NH2-OD2 3.47Å; R109-D360 VanDerWaalsContact NH2-OD2 3.13Å |
| 110 | R | 82.3 | Confident | 72.8 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -137.7 | 153.9 | -177 | -66.9 | 179.9 | 170.1 | -157.8 | -1.4 | 109.1 | E257 R260 S299 F300 K301 R435 | R110-E257 IonicContact CZ-OE2 3.13Å; R110-E257 IonicContact NH1-OE2 3.82Å; R110-E257 PolarHBondContact NH1-OE2 2.93Å; R110-E257 IonicContact NH2-OE1 3.72Å; R110-E257 PolarHBondContact NH2-OE1 3.11Å; R110-E257 IonicContact NH2-OE2 2.64Å; R110-E257 PolarHBondContact NH2-OE2 2.61Å; R110-R260 VanDerWaalsContact CZ-CZ 3.46Å; R110-R260 VanDerWaalsContact NH1-NH2 3.15Å; R110-S299 PolarHBondContact N-O 3.12Å; R110-F300 HydrophobicContact CB-CD1 4.1Å; R110-F300 HydrophobicContact CB-CE1 4.04Å; R110-F300 HydrophobicContact CB-CZ 4.43Å; R110-F300 WeakPolarHBondContact O-CA 3.22Å; R110-K301 PolarHBondContact O-N 3.12Å; R110-R435 VanDerWaalsContact NE-NH2 3.13Å |
| 111 | S | 87 | Confident | 70.7 | Confident | 55 Ų | 55 | 74.4 Ų | 74.4 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | trans | -106.6 | 149.2 | 166.2 | -89.1 | 0 | 0 | 0 | 0 | 111.1 | K301 E302 | S111-K301 VanDerWaalsContact OG-CE 3.24Å; S111-K301 WeakPolarHBondContact OG-CE 3.37Å; S111-E302 WeakPolarHBondContact CA-OE1 3.39Å; S111-E302 WeakPolarHBondContact CB-OE1 3.07Å; S111-E302 PolarHBondContact OG-OE1 3.07Å | ||
| 112 | I | 83.9 | Confident | 68.5 | Low | 22 Ų | 22 | 77.9 Ų | 77.9 | 11% | 0.113 | 38% | 0.379 | C | S | . | . | trans | -60.9 | 147.6 | 167.1 | -70.4 | 175.6 | 0 | 0 | 0 | 109.1 | F268 Y269 F300 E302 F303 | I112-F268 HydrophobicContact CD1-CB 3.19Å; I112-F268 HydrophobicContact CD1-CD1 3.55Å; I112-F268 HydrophobicContact CD1-CD2 3.36Å; I112-F268 HydrophobicContact CD1-CE1 4.16Å; I112-F268 HydrophobicContact CD1-CE2 4Å; I112-F268 HydrophobicContact CD1-CG 3.07Å; I112-F268 HydrophobicContact CD1-CZ 4.32Å; I112-F268 HydrophobicContact CG1-CB 4.45Å; I112-F268 HydrophobicContact CG2-CD1 4.5Å; I112-Y269 HydrophobicContact CG2-CE2 4.45Å; I112-F300 HydrophobicContact CG1-CB 4.45Å; I112-F300 HydrophobicContact CG1-CD1 3.82Å; I112-F300 HydrophobicContact CG1-CG 4.49Å; I112-E302 HydrophobicContact CB-CG 4.4Å; I112-E302 HydrophobicContact CD1-CB 3.62Å; I112-E302 HydrophobicContact CD1-CG 4.02Å; I112-E302 HydrophobicContact CG1-CB 4.28Å; I112-E302 HydrophobicContact CG1-CG 4.27Å; I112-E302 VanDerWaalsContact N-CD 3.35Å; I112-E302 PolarHBondContact N-OE1 2.85Å; I112-E302 PolarHBondContact N-OE2 2.96Å; I112-F303 HydrophobicContact CD1-CD2 4.2Å; I112-F303 HydrophobicContact CD1-CE2 3.83Å; I112-F303 HydrophobicContact CG1-CE2 4.49Å | ||
| 113 | Q | 81.1 | Confident | 66.4 | Low | 87 Ų | 87 | 80.1 Ų | 80.1 | 41% | 0.407 | 39% | 0.388 | S | S | . | . | trans | -118.5 | 110.9 | 174.8 | -73.4 | -178.5 | 19.2 | 0 | 0 | 109.3 | S115 K116 L261 S265 | Q113-S115 PolarHBondContact O-N 2.9Å; Q113-S115 VanDerWaalsContact O-N 3.14Å; Q113-K116 HydrophobicContact CB-CB 4.13Å; Q113-K116 HydrophobicContact CB-CG 3.88Å; Q113-K116 WeakPolarHBondContact O-CA 3.48Å; Q113-K116 WeakPolarHBondContact O-CB 3.43Å; Q113-K116 PolarHBondContact O-N 2.89Å; Q113-L261 HydrophobicContact CB-CD1 4.08Å; Q113-L261 HydrophobicContact CB-CG 4.41Å; Q113-L261 HydrophobicContact CG-CD1 3.94Å; Q113-L261 HydrophobicContact CG-CD2 4.28Å; Q113-L261 HydrophobicContact CG-CG 4.49Å; Q113-S265 PolarHBondContact N-OG 2.84Å; Q113-S265 PolarHBondContact O-OG 3.26Å | ||
| 114 | A | 76 | Confident | 64.6 | Low | 67 Ų | 67 | 87.5 Ų | 87.5 | 55% | 0.554 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -54.8 | -32.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K116 R117 Y269 | A114-K116 PolarHBondContact O-N 2.8Å; A114-R117 WeakPolarHBondContact O-CB 3.26Å; A114-R117 PolarHBondContact O-N 3.35Å; A114-R117 VanDerWaalsContact O-N 3.12Å; A114-Y269 WeakPolarHBondContact CB-OH 3.42Å |
| 115 | S | 76.3 | Confident | 62.9 | Low | 82 Ų | 82 | 88.5 Ų | 88.5 | 57% | 0.573 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -65.6 | -18.9 | 175.7 | 60.2 | 0 | 0 | 0 | 0 | 114.5 | Q113 | Q113-S115 PolarHBondContact O-N 2.9Å; Q113-S115 VanDerWaalsContact O-N 3.14Å |
| 116 | K | 72.8 | Confident | 61.7 | Low | 54 Ų | 54 | 90.6 Ų | 90.6 | 24% | 0.235 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -96.8 | 3.7 | 176.6 | -65.8 | -67.3 | -169.3 | 178.1 | 0 | 112.9 | Q113 A114 E258 L261 N266 | Q113-K116 HydrophobicContact CB-CB 4.13Å; Q113-K116 HydrophobicContact CB-CG 3.88Å; Q113-K116 WeakPolarHBondContact O-CA 3.48Å; Q113-K116 WeakPolarHBondContact O-CB 3.43Å; Q113-K116 PolarHBondContact O-N 2.89Å; A114-K116 PolarHBondContact O-N 2.8Å; K116-E258 IonicContact NZ-OE1 2.82Å; K116-E258 PolarHBondContact NZ-OE1 3.16Å; K116-L261 HydrophobicContact CB-CG 4.33Å; K116-L261 HydrophobicContact CG-CD2 3.89Å; K116-L261 HydrophobicContact CG-CG 3.96Å; K116-N266 PolarHBondContact O-ND2 2.85Å |
| 117 | R | 70.4 | Confident | 60.6 | Low | 68 Ų | 68 | 93.2 Ų | 93.2 | 26% | 0.257 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -59.4 | 143.2 | 168.2 | -171.2 | 175.2 | 178.3 | -160.3 | -4.8 | 109.3 | A114 R119 Y269 | A114-R117 WeakPolarHBondContact O-CB 3.26Å; A114-R117 PolarHBondContact O-N 3.35Å; A114-R117 VanDerWaalsContact O-N 3.12Å; R117-R119 PolarHBondContact O-N 3.43Å; R117-Y269 HydrophobicContact CB-CE2 4.36Å; R117-Y269 HydrophobicContact CG-CD2 4.12Å; R117-Y269 HydrophobicContact CG-CE2 4.33Å |
| 118 | W | 63.1 | Low | 59.4 | Low | 110 Ų | 110 | 95.4 Ų | 95.4 | 42% | 0.417 | 48% | 0.483 | S | S | . | . | trans | -57.6 | 106.3 | 168.4 | -65 | -22.3 | 0 | 0 | 0 | 108.1 | M120 E262 N266 F420 | W118-M120 PolarHBondContact O-N 3.46Å; W118-E262 PolarHBondContact NE1-OE1 2.84Å; W118-N266 WeakPolarHBondContact CB-OD1 3.25Å; W118-N266 HydrophobicContact CD2-CB 4.2Å; W118-N266 HydrophobicContact CE3-CB 4.42Å; W118-N266 VanDerWaalsContact CG-CG 3.46Å; W118-N266 VanDerWaalsContact CG-OD1 3.27Å; W118-N266 PolarHBondContact N-ND2 3.37Å; W118-N266 PolarHBondContact N-OD1 3.46Å; W118-N266 PolarHBondContact NE1-ND2 2.93Å; W118-F420 HydrophobicContact CH2-CD2 4.07Å; W118-F420 AromaticContact CH2-CE2 3.16Å; W118-F420 HydrophobicContact CH2-CE2 3.16Å; W118-F420 AromaticContact CH2-CZ 3.72Å; W118-F420 HydrophobicContact CH2-CZ 3.72Å; W118-F420 HydrophobicContact CZ2-CE2 4.08Å; W118-F420 HydrophobicContact CZ2-CZ 4.22Å; W118-F420 AromaticContact CZ3-CE2 3.6Å; W118-F420 HydrophobicContact CZ3-CE2 3.6Å; W118-F420 HydrophobicContact CZ3-CZ 4.3Å | ||
| 119 | R | 48.9 | Very low | 58.1 | Low | 174 Ų | 174 | 96.4 Ų | 96.4 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | trans | -69.1 | 120.8 | 152.6 | -59.1 | -174.6 | -162.4 | -177.4 | 4.1 | 103.4 | R117 I121 Y376 | R117-R119 PolarHBondContact O-N 3.43Å; R119-I121 PolarHBondContact O-N 3.05Å; R119-Y376 PolarHBondContact NH1-OH 2.06Å | ||
| 120 | M | 40.3 | Very low | 56.6 | Low | 102 Ų | 102 | 97.6 Ų | 97.6 | 50% | 0.502 | 50% | 0.5 | S | S | . | . | trans | -26.7 | 109.9 | 179.4 | -90.1 | -176.8 | -81.3 | 0 | 0 | 110.4 | W118 H122 Q398 | W118-M120 PolarHBondContact O-N 3.46Å; M120-H122 PolarHBondContact O-N 2.9Å; M120-Q398 PolarHBondContact SD-NE2 3.45Å | ||
| 121 | I | 38 | Very low | 55 | Low | 98 Ų | 98 | 100.7 Ų | 100.7 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | trans | -68.4 | 123.7 | 171.6 | -57.4 | 175.5 | 0 | 0 | 0 | 104.6 | R119 L125 | R119-I121 PolarHBondContact O-N 3.05Å; I121-L125 HydrophobicContact CG2-CB 4.18Å; I121-L125 HydrophobicContact CG2-CD1 3.37Å; I121-L125 HydrophobicContact CG2-CG 4.33Å | ||
| 122 | H | 33.5 | Very low | 53.1 | Low | 146 Ų | 146 | 100.5 Ų | 100.5 | 68% | 0.676 | 53% | 0.527 | S | S | * | . | trans | -40.1 | 142.9 | -179.6 | -77.2 | -68.8 | 0 | 0 | 0 | 111.2 | M120 E124 L125 | M120-H122 PolarHBondContact O-N 2.9Å; H122-E124 HydrophobicContact CB-CG 4.33Å; H122-E124 PolarHBondContact O-N 3.31Å; H122-L125 PolarHBondContact O-N 2.91Å; H122-L125 VanDerWaalsContact O-N 3.17Å | ||
| 123 | N | 40.6 | Very low | 51.7 | Low | 109 Ų | 109 | 103.5 Ų | 103.5 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -43.6 | -21.8 | -179.5 | -69.4 | -23.3 | 0 | 0 | 0 | 114.5 | L125 L126 | N123-L125 PolarHBondContact O-N 3.44Å; N123-L125 VanDerWaalsContact O-N 3.12Å; N123-L126 WeakPolarHBondContact O-CB 3.5Å; N123-L126 PolarHBondContact O-N 2.88Å |
| 124 | E | 37.1 | Very low | 50.2 | Low | 160 Ų | 160 | 100.2 Ų | 100.2 | 75% | 0.748 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -49.2 | -31.6 | 174.7 | -60.5 | 176.5 | 175.7 | 0 | 0 | 115.1 | H122 | H122-E124 HydrophobicContact CB-CG 4.33Å; H122-E124 PolarHBondContact O-N 3.31Å |
| 125 | L | 37.6 | Very low | 49.3 | Very low | 119 Ų | 119 | 100.6 Ų | 100.6 | 62% | 0.623 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -84.9 | -15.6 | 176.9 | -99.8 | 158 | 0 | 0 | 0 | 113.9 | I121 H122 N123 | I121-L125 HydrophobicContact CG2-CB 4.18Å; I121-L125 HydrophobicContact CG2-CD1 3.37Å; I121-L125 HydrophobicContact CG2-CG 4.33Å; H122-L125 PolarHBondContact O-N 2.91Å; H122-L125 VanDerWaalsContact O-N 3.17Å; N123-L125 PolarHBondContact O-N 3.44Å; N123-L125 VanDerWaalsContact O-N 3.12Å |
| 126 | L | 43 | Very low | 48.2 | Very low | 70 Ų | 70 | 99.3 Ų | 99.3 | 37% | 0.366 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -22.2 | 178.4 | -62.8 | 174.8 | 0 | 0 | 0 | 112.3 | N123 A128 M405 | N123-L126 WeakPolarHBondContact O-CB 3.5Å; N123-L126 PolarHBondContact O-N 2.88Å; L126-A128 VanDerWaalsContact C-N 3.3Å; L126-A128 PolarHBondContact O-N 3.22Å; L126-M405 HydrophobicContact CB-CE 3.57Å; L126-M405 HydrophobicContact CD1-CE 4.14Å; L126-M405 HydrophobicContact CD2-CE 3.46Å; L126-M405 VanDerWaalsContact CD2-CE 3.46Å; L126-M405 HydrophobicContact CG-CE 3.88Å |
| 127 | D | 42.3 | Very low | 47 | Very low | 142 Ų | 142 | 98.1 Ų | 98.1 | 76% | 0.759 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -74.1 | -22.3 | -179.2 | -69.6 | -28.9 | 0 | 0 | 0 | 112.9 | K129 | D127-K129 PolarHBondContact O-N 3.13Š|
| 128 | A | 42.6 | Very low | 46.1 | Very low | 69 Ų | 69 | 96.3 Ų | 96.3 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -85.7 | 95.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | L126 P130 | L126-A128 VanDerWaalsContact C-N 3.3Å; L126-A128 PolarHBondContact O-N 3.22Å; A128-P130 WeakPolarHBondContact O-CD 3.48Å |
| 129 | K | 45.8 | Very low | 46.1 | Very low | 151 Ų | 151 | 93.9 Ų | 93.9 | 66% | 0.657 | 51% | 0.512 | S | S | * | . | trans | -50.9 | 126.2 | 166.6 | -79.9 | -176.5 | -176.9 | -178.9 | 0 | 109 | D127 S131 V407 | D127-K129 PolarHBondContact O-N 3.13Å; K129-S131 PolarHBondContact O-N 3.1Å; K129-V407 HydrophobicContact CD-CG2 4.4Å | ||
| 130 | P | 45.6 | Very low | 46.5 | Very low | 108 Ų | 108 | 93 Ų | 93 | 70% | 0.701 | 51% | 0.509 | S | S | * | . | trans | -58.7 | 117.4 | 170.5 | 20.9 | -28.1 | 0 | 0 | 0 | 108.1 | A128 T132 | A128-P130 WeakPolarHBondContact O-CD 3.48Å; P130-T132 PolarHBondContact O-N 2.83Å | ||
| 131 | S | 48.5 | Very low | 47 | Very low | 122 Ų | 122 | 88.5 Ų | 88.5 | 85% | 0.853 | 49% | 0.487 | S | S | * | . | trans | -74 | -5 | -174.4 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | K129 | K129-S131 PolarHBondContact O-N 3.1Š| ||
| 132 | T | 47.1 | Very low | 48.1 | Very low | 50 Ų | 50 | 84.9 Ų | 84.9 | 31% | 0.307 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -108.5 | 122.7 | -170.4 | -18.7 | 0 | 0 | 0 | 0 | 109.4 | P130 V136 W419 | P130-T132 PolarHBondContact O-N 2.83Å; T132-V136 HydrophobicContact CG2-CB 4.22Å; T132-V136 HydrophobicContact CG2-CG1 3.81Å; T132-W419 WeakPolarHBondContact O-CH2 3.5Å; T132-W419 WeakPolarHBondContact O-CZ2 3.44Å |
| 133 | D | 54.1 | Low | 49.7 | Very low | 85 Ų | 85 | 82.4 Ų | 82.4 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | trans | -72.4 | 158.2 | 174.4 | 93 | 42.4 | 0 | 0 | 0 | 111.5 | S135 V136 L137 | D133-S135 VanDerWaalsContact C-N 3.33Å; D133-S135 PolarHBondContact O-N 2.96Å; D133-S135 WeakPolarHBondContact OD1-CA 3.42Å; D133-S135 WeakPolarHBondContact OD1-CB 3.26Å; D133-S135 PolarHBondContact OD1-N 2.86Å; D133-S135 PolarHBondContact OD1-OG 2.79Å; D133-S135 PolarHBondContact OD2-OG 3.26Å; D133-V136 PolarHBondContact O-N 3.3Å; D133-V136 PolarHBondContact OD1-N 2.93Å; D133-L137 PolarHBondContact O-N 3.28Å | ||
| 134 | G | 49.6 | Very low | 50.7 | Low | 19 Ų | 19 | 79.3 Ų | 79.3 | 20% | 0.196 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -65.9 | -30.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | T138 W419 | G134-T138 VanDerWaalsContact O-CB 3.28Å; G134-T138 WeakPolarHBondContact O-CB 3.39Å; G134-T138 PolarHBondContact O-N 3.33Å; G134-T138 PolarHBondContact O-OG1 2.85Å; G134-W419 VanDerWaalsContact CA-CZ2 3.44Å |
| 135 | S | 58.6 | Low | 51.6 | Low | 74 Ų | 74 | 71.9 Ų | 71.9 | 52% | 0.517 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.2 | -37.6 | 174.4 | 83.4 | 0 | 0 | 0 | 0 | 112.4 | D133 T138 S139 | D133-S135 VanDerWaalsContact C-N 3.33Å; D133-S135 PolarHBondContact O-N 2.96Å; D133-S135 WeakPolarHBondContact OD1-CA 3.42Å; D133-S135 WeakPolarHBondContact OD1-CB 3.26Å; D133-S135 PolarHBondContact OD1-N 2.86Å; D133-S135 PolarHBondContact OD1-OG 2.79Å; D133-S135 PolarHBondContact OD2-OG 3.26Å; S135-T138 PolarHBondContact O-N 3.34Å; S135-S139 VanDerWaalsContact O-CB 3.31Å; S135-S139 WeakPolarHBondContact O-CB 3.18Å; S135-S139 PolarHBondContact O-N 3.49Å; S135-S139 PolarHBondContact O-OG 3.43Å |
| 136 | V | 53.2 | Low | 53 | Low | 55 Ų | 55 | 68.3 Ų | 68.3 | 33% | 0.333 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 175 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | T132 D133 S139 R140 | T132-V136 HydrophobicContact CG2-CB 4.22Å; T132-V136 HydrophobicContact CG2-CG1 3.81Å; D133-V136 PolarHBondContact O-N 3.3Å; D133-V136 PolarHBondContact OD1-N 2.93Å; V136-S139 WeakPolarHBondContact O-CB 2.92Å; V136-S139 PolarHBondContact O-N 3.19Å; V136-R140 WeakPolarHBondContact O-CG 2.98Å; V136-R140 PolarHBondContact O-N 3.34Å |
| 137 | L | 47.3 | Very low | 54.3 | Low | 30 Ų | 30 | 68.3 Ų | 68.3 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.5 | -44.6 | 177.4 | -174.7 | 66.1 | 0 | 0 | 0 | 111.7 | D133 S139 R140 I141 W419 L422 L426 | D133-L137 PolarHBondContact O-N 3.28Å; L137-S139 PolarHBondContact O-N 2.97Å; L137-R140 HydrophobicContact CD1-CB 4.46Å; L137-R140 WeakPolarHBondContact O-CB 3.46Å; L137-R140 PolarHBondContact O-N 2.84Å; L137-I141 HydrophobicContact CD1-CD1 4.32Å; L137-I141 HydrophobicContact CD1-CG1 4.37Å; L137-I141 HydrophobicContact CD2-CD1 4.13Å; L137-I141 HydrophobicContact CG-CD1 3.83Å; L137-I141 HydrophobicContact CG-CG1 4.3Å; L137-I141 WeakPolarHBondContact O-CB 3.14Å; L137-I141 WeakPolarHBondContact O-CG1 2.93Å; L137-I141 PolarHBondContact O-N 2.75Å; L137-W419 HydrophobicContact CB-CH2 3.74Å; L137-W419 HydrophobicContact CB-CZ3 3.83Å; L137-W419 HydrophobicContact CD2-CE3 3.6Å; L137-W419 HydrophobicContact CD2-CH2 3.97Å; L137-W419 HydrophobicContact CD2-CZ3 3.13Å; L137-W419 HydrophobicContact CG-CH2 4.45Å; L137-W419 HydrophobicContact CG-CZ3 4.02Å; L137-L422 HydrophobicContact CD2-CD2 3.33Å; L137-L422 HydrophobicContact CD2-CG 4.15Å; L137-L422 HydrophobicContact CG-CD2 3.9Å; L137-L426 HydrophobicContact CD1-CD1 4.38Å; L137-L426 HydrophobicContact CD2-CD1 4.33Å |
| 138 | T | 52.2 | Low | 55 | Low | 30 Ų | 30 | 62.4 Ų | 62.4 | 18% | 0.184 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -54.9 | -41.9 | 175.6 | -58.7 | 0 | 0 | 0 | 0 | 110.5 | G134 S135 I141 L142 Y418 | G134-T138 VanDerWaalsContact O-CB 3.28Å; G134-T138 WeakPolarHBondContact O-CB 3.39Å; G134-T138 PolarHBondContact O-N 3.33Å; G134-T138 PolarHBondContact O-OG1 2.85Å; S135-T138 PolarHBondContact O-N 3.34Å; T138-I141 PolarHBondContact O-N 3.31Å; T138-L142 HydrophobicContact CG2-CD1 4.09Å; T138-L142 HydrophobicContact CG2-CG 4.43Å; T138-L142 WeakPolarHBondContact O-CB 3.14Å; T138-L142 VanDerWaalsContact O-CG 3.31Å; T138-L142 WeakPolarHBondContact O-CG 3.26Å; T138-L142 PolarHBondContact O-N 3.18Å; T138-Y418 PolarHBondContact OG1-OH 3.13Å |
| 139 | S | 61.7 | Low | 55.9 | Low | 58 Ų | 58 | 59.4 Ų | 59.4 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 174.5 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | S135 V136 L137 I141 L142 N143 | S135-S139 VanDerWaalsContact O-CB 3.31Å; S135-S139 WeakPolarHBondContact O-CB 3.18Å; S135-S139 PolarHBondContact O-N 3.49Å; S135-S139 PolarHBondContact O-OG 3.43Å; V136-S139 WeakPolarHBondContact O-CB 2.92Å; V136-S139 PolarHBondContact O-N 3.19Å; L137-S139 PolarHBondContact O-N 2.97Å; S139-I141 VanDerWaalsContact C-N 3.29Å; S139-I141 PolarHBondContact O-N 3.31Å; S139-L142 PolarHBondContact O-N 2.87Å; S139-N143 WeakPolarHBondContact O-CB 3.48Å; S139-N143 PolarHBondContact O-N 3Å; S139-N143 PolarHBondContact O-ND2 2.81Å; S139-N143 PolarHBondContact O-OD1 3.17Å |
| 140 | R | 57.4 | Low | 57 | Low | 156 Ų | 156 | 55.1 Ų | 55.1 | 59% | 0.589 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -59.4 | -40.9 | 175.7 | -74 | 177.8 | 179.6 | -170.9 | 0.3 | 112.2 | V136 L137 N143 C144 | V136-R140 WeakPolarHBondContact O-CG 2.98Å; V136-R140 PolarHBondContact O-N 3.34Å; L137-R140 HydrophobicContact CD1-CB 4.46Å; L137-R140 WeakPolarHBondContact O-CB 3.46Å; L137-R140 PolarHBondContact O-N 2.84Å; R140-N143 PolarHBondContact O-N 3.04Å; R140-C144 WeakPolarHBondContact O-CB 2.74Å; R140-C144 PolarHBondContact O-N 2.75Å |
| 141 | I | 51.9 | Low | 57.7 | Low | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.5 | -50.1 | 178.5 | -75.1 | 171.7 | 0 | 0 | 0 | 111 | L137 T138 S139 N143 C144 L145 L194 L422 L426 | L137-I141 HydrophobicContact CD1-CD1 4.32Å; L137-I141 HydrophobicContact CD1-CG1 4.37Å; L137-I141 HydrophobicContact CD2-CD1 4.13Å; L137-I141 HydrophobicContact CG-CD1 3.83Å; L137-I141 HydrophobicContact CG-CG1 4.3Å; L137-I141 WeakPolarHBondContact O-CB 3.14Å; L137-I141 WeakPolarHBondContact O-CG1 2.93Å; L137-I141 PolarHBondContact O-N 2.75Å; T138-I141 PolarHBondContact O-N 3.31Å; S139-I141 VanDerWaalsContact C-N 3.29Å; S139-I141 PolarHBondContact O-N 3.31Å; I141-N143 PolarHBondContact O-N 2.79Å; I141-C144 PolarHBondContact O-N 3.11Å; I141-C144 VanDerWaalsContact O-N 3.13Å; I141-L145 HydrophobicContact CG2-CD1 4.27Å; I141-L145 WeakPolarHBondContact O-CB 3.45Å; I141-L145 PolarHBondContact O-N 2.79Å; I141-L194 HydrophobicContact CG2-CD2 3.19Å; I141-L194 HydrophobicContact CG2-CG 4.39Å; I141-L422 HydrophobicContact CD1-CD1 3.28Å; I141-L422 HydrophobicContact CD1-CD2 3.57Å; I141-L422 HydrophobicContact CD1-CG 3.34Å; I141-L426 HydrophobicContact CD1-CD1 3.71Å; I141-L426 HydrophobicContact CD1-CD2 4.38Å; I141-L426 HydrophobicContact CD1-CG 3.83Å; I141-L426 HydrophobicContact CG1-CD1 4.05Å; I141-L426 HydrophobicContact CG1-CD2 4Å; I141-L426 HydrophobicContact CG1-CG 4.01Å |
| 142 | L | 60.1 | Low | 58.1 | Low | 22 Ų | 22 | 47.7 Ų | 47.7 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -34.1 | 176.2 | -76.5 | 177.9 | 0 | 0 | 0 | 111.6 | K94 T138 S139 L145 S146 A198 | K94-L142 HydrophobicContact CD-CB 4.11Å; K94-L142 HydrophobicContact CD-CD1 4.33Å; K94-L142 HydrophobicContact CD-CD2 4.11Å; K94-L142 HydrophobicContact CD-CG 4.44Å; T138-L142 HydrophobicContact CG2-CD1 4.09Å; T138-L142 HydrophobicContact CG2-CG 4.43Å; T138-L142 WeakPolarHBondContact O-CB 3.14Å; T138-L142 VanDerWaalsContact O-CG 3.31Å; T138-L142 WeakPolarHBondContact O-CG 3.26Å; T138-L142 PolarHBondContact O-N 3.18Å; S139-L142 PolarHBondContact O-N 2.87Å; L142-L145 HydrophobicContact CD2-CD1 4.48Å; L142-S146 WeakPolarHBondContact O-CB 3.47Å; L142-S146 PolarHBondContact O-N 2.98Å; L142-A198 HydrophobicContact CD2-CB 3.97Å |
| 143 | N | 66.9 | Low | 59 | Low | 93 Ų | 93 | 49.4 Ų | 49.4 | 50% | 0.497 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.8 | -46.3 | 174 | -68.7 | -8.4 | 0 | 0 | 0 | 111.1 | S139 R140 I141 L145 S146 E147 | S139-N143 WeakPolarHBondContact O-CB 3.48Å; S139-N143 PolarHBondContact O-N 3Å; S139-N143 PolarHBondContact O-ND2 2.81Å; S139-N143 PolarHBondContact O-OD1 3.17Å; R140-N143 PolarHBondContact O-N 3.04Å; I141-N143 PolarHBondContact O-N 2.79Å; N143-L145 VanDerWaalsContact C-N 3.32Å; N143-L145 PolarHBondContact O-N 2.67Å; N143-S146 WeakPolarHBondContact O-CB 3.29Å; N143-S146 PolarHBondContact O-N 2.65Å; N143-E147 WeakPolarHBondContact O-CG 3Å; N143-E147 PolarHBondContact O-N 2.6Å |
| 144 | C | 61.3 | Low | 59.4 | Low | 44 Ų | 44 | 52.7 Ų | 52.7 | 30% | 0.297 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.1 | -43.3 | 175.5 | -174.3 | 0 | 0 | 0 | 0 | 111.9 | R140 I141 E147 L148 | R140-C144 WeakPolarHBondContact O-CB 2.74Å; R140-C144 PolarHBondContact O-N 2.75Å; I141-C144 PolarHBondContact O-N 3.11Å; I141-C144 VanDerWaalsContact O-N 3.13Å; C144-E147 PolarHBondContact O-N 2.58Å; C144-L148 PolarHBondContact O-N 3.16Å |
| 145 | L | 57.8 | Low | 60 | Low | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 174.3 | -78.9 | 177.9 | 0 | 0 | 0 | 112.7 | V95 F98 I141 L142 N143 E147 L148 N149 L194 | V95-L145 HydrophobicContact CG1-CB 4.37Å; V95-L145 HydrophobicContact CG1-CD1 3.81Å; F98-L145 HydrophobicContact CE2-CD2 3.91Å; F98-L145 HydrophobicContact CZ-CD2 4.35Å; I141-L145 HydrophobicContact CG2-CD1 4.27Å; I141-L145 WeakPolarHBondContact O-CB 3.45Å; I141-L145 PolarHBondContact O-N 2.79Å; L142-L145 HydrophobicContact CD2-CD1 4.48Å; N143-L145 VanDerWaalsContact C-N 3.32Å; N143-L145 PolarHBondContact O-N 2.67Å; L145-E147 VanDerWaalsContact C-N 3.3Å; L145-E147 PolarHBondContact O-N 3.48Å; L145-L148 WeakPolarHBondContact O-CB 3.49Å; L145-L148 PolarHBondContact O-N 2.99Å; L145-N149 WeakPolarHBondContact O-CB 3.43Å; L145-N149 PolarHBondContact O-N 3.42Å; L145-L194 HydrophobicContact CD1-CB 4.14Å; L145-L194 HydrophobicContact CD1-CD2 3.38Å; L145-L194 HydrophobicContact CD1-CG 4.31Å; L145-L194 HydrophobicContact CD2-CB 4.19Å; L145-L194 HydrophobicContact CD2-CD2 3.73Å; L145-L194 HydrophobicContact CG-CD2 3.52Å |
| 146 | S | 66.6 | Low | 60 | Low | 45 Ų | 45 | 54.3 Ų | 54.3 | 32% | 0.315 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.2 | -40.8 | 176.7 | -174.7 | 0 | 0 | 0 | 0 | 111 | L142 N143 N149 R150 | L142-S146 WeakPolarHBondContact O-CB 3.47Å; L142-S146 PolarHBondContact O-N 2.98Å; N143-S146 WeakPolarHBondContact O-CB 3.29Å; N143-S146 PolarHBondContact O-N 2.65Å; S146-N149 WeakPolarHBondContact O-CB 3.36Å; S146-N149 PolarHBondContact O-N 3.25Å; S146-R150 WeakPolarHBondContact O-CB 3.41Å; S146-R150 PolarHBondContact O-N 2.9Å |
| 147 | E | 69.2 | Low | 60.4 | Low | 69 Ų | 69 | 54 Ų | 54 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.5 | -42.4 | 175.3 | -71.4 | -53.1 | 138.9 | 0 | 0 | 112.1 | N143 C144 L145 N149 R150 L151 | N143-E147 WeakPolarHBondContact O-CG 3Å; N143-E147 PolarHBondContact O-N 2.6Å; C144-E147 PolarHBondContact O-N 2.58Å; L145-E147 VanDerWaalsContact C-N 3.3Å; L145-E147 PolarHBondContact O-N 3.48Å; E147-N149 VanDerWaalsContact C-N 3.32Å; E147-N149 PolarHBondContact O-N 3.13Å; E147-R150 PolarHBondContact O-N 3.45Å; E147-R150 IonicContact OE2-CZ 3.07Å; E147-R150 VanDerWaalsContact OE2-CZ 3.27Å; E147-R150 IonicContact OE2-NE 2.65Å; E147-R150 PolarHBondContact OE2-NE 3.44Å; E147-R150 IonicContact OE2-NH2 2.83Å; E147-R150 PolarHBondContact OE2-NH2 3.4Å; E147-L151 WeakPolarHBondContact O-CG 3.31Å; E147-L151 PolarHBondContact O-N 2.98Å |
| 148 | L | 57 | Low | 60.7 | Low | 18 Ų | 18 | 60.4 Ų | 60.4 | 9% | 0.094 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 171.7 | -85.7 | 153.8 | 0 | 0 | 0 | 111.6 | C144 L145 L151 M152 Y191 V236 | C144-L148 PolarHBondContact O-N 3.16Å; L145-L148 WeakPolarHBondContact O-CB 3.49Å; L145-L148 PolarHBondContact O-N 2.99Å; L148-L151 PolarHBondContact O-N 3.19Å; L148-M152 WeakPolarHBondContact O-CG 2.96Å; L148-M152 PolarHBondContact O-N 2.97Å; L148-Y191 HydrophobicContact CD2-CE1 4.02Å; L148-V236 HydrophobicContact CD2-CG1 4.38Å |
| 149 | N | 62.9 | Low | 60.8 | Low | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.7 | -48 | 177 | -172.3 | 76.8 | 0 | 0 | 0 | 110.9 | N97 L145 S146 E147 L151 M152 E153 | N97-N149 WeakPolarHBondContact CB-OD1 3.08Å; N97-N149 PolarHBondContact N-OD1 3.47Å; N97-N149 PolarHBondContact ND2-O 3.32Å; N97-N149 PolarHBondContact ND2-OD1 3.27Å; L145-N149 WeakPolarHBondContact O-CB 3.43Å; L145-N149 PolarHBondContact O-N 3.42Å; S146-N149 WeakPolarHBondContact O-CB 3.36Å; S146-N149 PolarHBondContact O-N 3.25Å; E147-N149 VanDerWaalsContact C-N 3.32Å; E147-N149 PolarHBondContact O-N 3.13Å; N149-L151 VanDerWaalsContact C-N 3.31Å; N149-L151 PolarHBondContact O-N 3.18Å; N149-M152 WeakPolarHBondContact O-CB 3.23Å; N149-M152 PolarHBondContact O-N 3.2Å; N149-M152 VanDerWaalsContact O-N 3.12Å; N149-E153 PolarHBondContact ND2-OE1 2.87Å; N149-E153 VanDerWaalsContact ND2-OE1 3.16Å; N149-E153 PolarHBondContact O-N 3.32Å |
| 150 | R | 67 | Low | 60.4 | Low | 60 Ų | 60 | 65.3 Ų | 65.3 | 23% | 0.226 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.7 | -43.7 | 176.7 | -174.6 | 172.5 | 72.1 | 123.7 | -6.4 | 111.8 | S146 E147 M152 E153 Y154 D232 | S146-R150 WeakPolarHBondContact O-CB 3.41Å; S146-R150 PolarHBondContact O-N 2.9Å; E147-R150 PolarHBondContact O-N 3.45Å; E147-R150 IonicContact OE2-CZ 3.07Å; E147-R150 VanDerWaalsContact OE2-CZ 3.27Å; E147-R150 IonicContact OE2-NE 2.65Å; E147-R150 PolarHBondContact OE2-NE 3.44Å; E147-R150 IonicContact OE2-NH2 2.83Å; E147-R150 PolarHBondContact OE2-NH2 3.4Å; R150-M152 PolarHBondContact O-N 2.9Å; R150-E153 PolarHBondContact O-N 3.14Å; R150-Y154 HydrophobicContact CG-CD2 4.08Å; R150-Y154 HydrophobicContact CG-CE2 3.71Å; R150-Y154 WeakPolarHBondContact O-CD2 3.37Å; R150-Y154 PolarHBondContact O-N 3.11Å; R150-Y154 VanDerWaalsContact O-N 3.12Å; R150-D232 VanDerWaalsContact CZ-CG 3.43Å; R150-D232 IonicContact CZ-OD1 2.61Å; R150-D232 IonicContact CZ-OD2 2.72Å; R150-D232 VanDerWaalsContact NH1-CG 3.31Å; R150-D232 IonicContact NH1-OD1 3.26Å; R150-D232 PolarHBondContact NH1-OD1 2.92Å; R150-D232 IonicContact NH1-OD2 2.72Å; R150-D232 PolarHBondContact NH1-OD2 3.12Å; R150-D232 IonicContact NH2-OD1 2.81Å; R150-D232 PolarHBondContact NH2-OD1 3.41Å; R150-D232 IonicContact NH2-OD2 3.9Å; R150-D232 PolarHBondContact NH2-OD2 2.88Å |
| 151 | L | 60.4 | Low | 60.1 | Low | 39 Ų | 39 | 62 Ų | 62 | 20% | 0.204 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 176.3 | -73.8 | 177.7 | 0 | 0 | 0 | 113.5 | E147 L148 N149 E153 Y154 S155 D232 V236 | E147-L151 WeakPolarHBondContact O-CG 3.31Å; E147-L151 PolarHBondContact O-N 2.98Å; L148-L151 PolarHBondContact O-N 3.19Å; N149-L151 VanDerWaalsContact C-N 3.31Å; N149-L151 PolarHBondContact O-N 3.18Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-Y154 PolarHBondContact O-N 3.47Å; L151-S155 PolarHBondContact O-N 3.18Å; L151-D232 HydrophobicContact CD2-CB 3.93Å; L151-V236 HydrophobicContact CD1-CB 3.47Å; L151-V236 VanDerWaalsContact CD1-CB 3.47Å; L151-V236 HydrophobicContact CD1-CG1 4Å; L151-V236 HydrophobicContact CD1-CG2 3.19Å; L151-V236 HydrophobicContact CG-CG2 4.46Å |
| 152 | M | 57.7 | Low | 60.1 | Low | 35 Ų | 35 | 64.2 Ų | 64.2 | 17% | 0.172 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 175.5 | -72.9 | -169.2 | -68 | 0 | 0 | 111.4 | N97 F98 L148 N149 R150 Y154 S155 S156 | N97-M152 HydrophobicContact CB-CB 4.45Å; N97-M152 HydrophobicContact CB-CE 3.43Å; N97-M152 VanDerWaalsContact CB-CE 3.43Å; N97-M152 HydrophobicContact CB-SD 4.26Å; N97-M152 WeakPolarHBondContact ND2-CB 3.46Å; F98-M152 HydrophobicContact CD1-CE 4.29Å; F98-M152 HydrophobicContact CD2-CE 4.47Å; F98-M152 HydrophobicContact CE1-CE 3.59Å; F98-M152 HydrophobicContact CE1-SD 4.32Å; F98-M152 HydrophobicContact CE2-CE 3.87Å; F98-M152 HydrophobicContact CZ-CE 3.39Å; L148-M152 WeakPolarHBondContact O-CG 2.96Å; L148-M152 PolarHBondContact O-N 2.97Å; N149-M152 WeakPolarHBondContact O-CB 3.23Å; N149-M152 PolarHBondContact O-N 3.2Å; N149-M152 VanDerWaalsContact O-N 3.12Å; R150-M152 PolarHBondContact O-N 2.9Å; M152-Y154 PolarHBondContact O-N 3.25Å; M152-S155 PolarHBondContact O-N 3.3Å; M152-S155 PolarHBondContact O-OG 3.43Å; M152-S156 PolarHBondContact O-N 3.45Å; M152-S156 VanDerWaalsContact O-N 3.16Å; M152-S156 PolarHBondContact O-OG 3.33Å |
| 153 | E | 65.2 | Low | 59.3 | Low | 86 Ų | 86 | 71.4 Ų | 71.4 | 40% | 0.402 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59 | -46.2 | 174.4 | -66.6 | 179.7 | 176.6 | 0 | 0 | 111.1 | N97 N149 R150 L151 S155 S156 G157 | N97-E153 WeakPolarHBondContact ND2-CG 3.32Å; N149-E153 PolarHBondContact ND2-OE1 2.87Å; N149-E153 VanDerWaalsContact ND2-OE1 3.16Å; N149-E153 PolarHBondContact O-N 3.32Å; R150-E153 PolarHBondContact O-N 3.14Å; L151-E153 VanDerWaalsContact C-N 3.34Å; E153-S155 VanDerWaalsContact C-N 3.3Å; E153-S155 PolarHBondContact O-N 3.3Å; E153-S156 PolarHBondContact O-N 2.97Å; E153-S156 VanDerWaalsContact O-N 3.11Å; E153-S156 PolarHBondContact O-OG 2.96Å; E153-G157 PolarHBondContact O-N 3.41Å |
| 154 | Y | 64.4 | Low | 58.1 | Low | 154 Ų | 154 | 75.8 Ų | 75.8 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.3 | -37.1 | 175.6 | -79.9 | -62.9 | 0 | 0 | 0 | 113.4 | R150 L151 M152 S156 G157 | R150-Y154 HydrophobicContact CG-CD2 4.08Å; R150-Y154 HydrophobicContact CG-CE2 3.71Å; R150-Y154 WeakPolarHBondContact O-CD2 3.37Å; R150-Y154 PolarHBondContact O-N 3.11Å; R150-Y154 VanDerWaalsContact O-N 3.12Å; L151-Y154 PolarHBondContact O-N 3.47Å; M152-Y154 PolarHBondContact O-N 3.25Å; Y154-S156 VanDerWaalsContact C-N 3.26Å; Y154-S156 PolarHBondContact O-N 3.17Å; Y154-G157 PolarHBondContact O-N 2.79Å |
| 155 | S | 60.2 | Low | 57 | Low | 61 Ų | 61 | 80.6 Ų | 80.6 | 43% | 0.427 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.8 | -24.3 | 178.3 | 75.8 | 0 | 0 | 0 | 0 | 113.5 | L151 M152 E153 | L151-S155 PolarHBondContact O-N 3.18Å; M152-S155 PolarHBondContact O-N 3.3Å; M152-S155 PolarHBondContact O-OG 3.43Å; E153-S155 VanDerWaalsContact C-N 3.3Å; E153-S155 PolarHBondContact O-N 3.3Å |
| 156 | S | 59.1 | Low | 56.1 | Low | 67 Ų | 67 | 83.6 Ų | 83.6 | 47% | 0.469 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -89.6 | -14.9 | 179.2 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | M152 E153 Y154 D158 | M152-S156 PolarHBondContact O-N 3.45Å; M152-S156 VanDerWaalsContact O-N 3.16Å; M152-S156 PolarHBondContact O-OG 3.33Å; E153-S156 PolarHBondContact O-N 2.97Å; E153-S156 VanDerWaalsContact O-N 3.11Å; E153-S156 PolarHBondContact O-OG 2.96Å; Y154-S156 VanDerWaalsContact C-N 3.26Å; Y154-S156 PolarHBondContact O-N 3.17Å; S156-D158 PolarHBondContact O-N 2.95Å; S156-D158 VanDerWaalsContact O-N 3.1Å |
| 157 | G | 61.3 | Low | 54.5 | Low | 49 Ų | 49 | 86.8 Ų | 86.8 | 51% | 0.505 | 46% | 0.463 | S | S | . | . | trans | -65.7 | 109.2 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | E153 Y154 D159 | E153-G157 PolarHBondContact O-N 3.41Å; Y154-G157 PolarHBondContact O-N 2.79Å; G157-D159 PolarHBondContact O-N 3.49Å | ||
| 158 | D | 54.8 | Low | 52.8 | Low | 163 Ų | 163 | 86.8 Ų | 86.8 | 87% | 0.872 | 47% | 0.47 | S | S | * | . | trans | -69.8 | 24 | 178.2 | -126 | -4.3 | 0 | 0 | 0 | 113 | S156 S160 | S156-D158 PolarHBondContact O-N 2.95Å; S156-D158 VanDerWaalsContact O-N 3.1Å; D158-S160 PolarHBondContact O-N 3.24Å | ||
| 159 | D | 53 | Low | 51.5 | Low | 105 Ų | 105 | 94.2 Ų | 94.2 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | trans | -77 | 74.4 | -173.9 | -145.3 | 16.2 | 0 | 0 | 0 | 109.1 | G157 T161 A162 | G157-D159 PolarHBondContact O-N 3.49Å; D159-T161 PolarHBondContact O-N 3.43Å; D159-T161 VanDerWaalsContact O-N 3.11Å; D159-T161 PolarHBondContact OD1-OG1 3.46Å; D159-A162 HydrophobicContact CB-CB 4.27Å; D159-A162 WeakPolarHBondContact O-CB 3.25Å; D159-A162 PolarHBondContact O-N 3.16Å | ||
| 160 | S | 54.7 | Low | 50.1 | Low | 86 Ų | 86 | 97.3 Ų | 97.3 | 60% | 0.601 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -22.1 | 177.6 | 61.4 | 0 | 0 | 0 | 0 | 113 | D158 R163 | D158-S160 PolarHBondContact O-N 3.24Å; S160-R163 PolarHBondContact O-N 3.28Å |
| 161 | T | 51.8 | Low | 48.3 | Very low | 88 Ų | 88 | 98.7 Ų | 98.7 | 54% | 0.54 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -38 | 172.9 | 46.8 | 0 | 0 | 0 | 0 | 112 | D159 R163 K164 | D159-T161 PolarHBondContact O-N 3.43Å; D159-T161 VanDerWaalsContact O-N 3.11Å; D159-T161 PolarHBondContact OD1-OG1 3.46Å; T161-R163 PolarHBondContact O-N 2.96Å; T161-K164 PolarHBondContact O-N 3Å; T161-K164 VanDerWaalsContact O-N 3.15Å |
| 162 | A | 50.5 | Low | 46.8 | Very low | 54 Ų | 54 | 102.6 Ų | 102.6 | 45% | 0.446 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.7 | -16.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D159 | D159-A162 HydrophobicContact CB-CB 4.27Å; D159-A162 WeakPolarHBondContact O-CB 3.25Å; D159-A162 PolarHBondContact O-N 3.16Å |
| 163 | R | 42.7 | Very low | 45.5 | Very low | 172 Ų | 172 | 104.8 Ų | 104.8 | 65% | 0.649 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -22.6 | 173.2 | -82.5 | -176.1 | -179.5 | 157.5 | 4.8 | 114 | S160 T161 | S160-R163 PolarHBondContact O-N 3.28Å; T161-R163 PolarHBondContact O-N 2.96Å |
| 164 | K | 43.7 | Very low | 43.9 | Very low | 185 Ų | 185 | 106.9 Ų | 106.9 | 80% | 0.804 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -27.1 | -174.9 | -80.3 | -172.9 | 176 | -179.5 | 0 | 114.3 | T161 V166 | T161-K164 PolarHBondContact O-N 3Å; T161-K164 VanDerWaalsContact O-N 3.15Å; K164-V166 VanDerWaalsContact C-N 3.35Å |
| 165 | D | 38.1 | Very low | 42.3 | Very low | 146 Ų | 146 | 103.3 Ų | 103.3 | 78% | 0.781 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -94.7 | 12.6 | 180 | -69.1 | -21 | 0 | 0 | 0 | 113.6 | D167 | D165-D167 PolarHBondContact O-N 2.72Š|
| 166 | V | 38.2 | Very low | 41 | Very low | 67 Ų | 67 | 103.3 Ų | 103.3 | 41% | 0.406 | 62% | 0.622 | S | S | . | * | trans | -77 | 86.4 | 163.7 | -175 | 0 | 0 | 0 | 0 | 106.5 | K164 C168 | K164-V166 VanDerWaalsContact C-N 3.35Å; V166-C168 VanDerWaalsContact C-N 3.26Å; V166-C168 PolarHBondContact O-N 3.13Å; V166-C168 PolarHBondContact O-SG 3.12Å; V166-C168 VanDerWaalsContact O-SG 3.39Å | ||
| 167 | D | 33.2 | Very low | 39.8 | Very low | 111 Ų | 111 | 103.5 Ų | 103.5 | 59% | 0.594 | 62% | 0.623 | S | S | * | * | trans | -62.8 | 89.4 | 173.1 | -167.4 | 0.6 | 0 | 0 | 0 | 109.3 | D165 Q169 | D165-D167 PolarHBondContact O-N 2.72Å; D167-Q169 PolarHBondContact O-N 3.1Å; D167-Q169 VanDerWaalsContact O-N 3.11Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.37Å; D167-Q169 WeakPolarHBondContact OD1-CG 3.24Å; D167-Q169 PolarHBondContact OD1-N 3.32Å | ||
| 168 | C | 32.3 | Very low | 38.7 | Very low | 70 Ų | 70 | 105.8 Ų | 105.8 | 47% | 0.473 | 63% | 0.631 | S | S | . | * | G | 310 helix | trans | -67.1 | -1.3 | -179.9 | -70.7 | 0 | 0 | 0 | 0 | 112.8 | V166 G170 I171 | V166-C168 VanDerWaalsContact C-N 3.26Å; V166-C168 PolarHBondContact O-N 3.13Å; V166-C168 PolarHBondContact O-SG 3.12Å; V166-C168 VanDerWaalsContact O-SG 3.39Å; C168-G170 PolarHBondContact O-N 3.16Å; C168-I171 PolarHBondContact O-N 2.97Å |
| 169 | Q | 30.7 | Very low | 37.7 | Very low | 174 Ų | 174 | 102.3 Ų | 102.3 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -67.3 | -18.6 | 178.7 | -69.4 | -169.7 | -1.3 | 0 | 0 | 113.3 | D167 I171 | D167-Q169 PolarHBondContact O-N 3.1Å; D167-Q169 VanDerWaalsContact O-N 3.11Å; D167-Q169 WeakPolarHBondContact OD1-CB 3.37Å; D167-Q169 WeakPolarHBondContact OD1-CG 3.24Å; D167-Q169 PolarHBondContact OD1-N 3.32Å; Q169-I171 VanDerWaalsContact C-N 3.27Å; Q169-I171 PolarHBondContact O-N 3.48Å |
| 170 | G | 33 | Very low | 36.6 | Very low | 72 Ų | 72 | 102.5 Ų | 102.5 | 74% | 0.742 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -77.6 | -6.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115 | C168 | C168-G170 PolarHBondContact O-N 3.16Š|
| 171 | I | 29.4 | Very low | 35.4 | Very low | 88 Ų | 88 | 101 Ų | 101 | 45% | 0.451 | 60% | 0.597 | S | S | . | * | trans | -111.7 | 67.7 | -177.2 | -47.8 | 176.9 | 0 | 0 | 0 | 109.1 | C168 Q169 | C168-I171 PolarHBondContact O-N 2.97Å; Q169-I171 VanDerWaalsContact C-N 3.27Å; Q169-I171 PolarHBondContact O-N 3.48Å | ||
| 172 | S | 29.1 | Very low | 34.4 | Very low | 122 Ų | 122 | 105.5 Ų | 105.5 | 85% | 0.853 | 60% | 0.604 | S | S | * | * | trans | -84.8 | 102.4 | 145.3 | 73.9 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 173 | A | 31.3 | Very low | 33.4 | Very low | 80 Ų | 80 | 105.1 Ų | 105.1 | 66% | 0.661 | 59% | 0.592 | S | S | * | * | S | Bend | cis | -146.7 | 152.6 | 42.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 174 | V | 31.5 | Very low | 32.7 | Very low | 131 Ų | 131 | 101 Ų | 101 | 79% | 0.794 | 58% | 0.583 | S | S | * | * | trans | 80 | 73.8 | 178 | -160 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 175 | A | 30.8 | Very low | 32.1 | Very low | 78 Ų | 78 | 96.3 Ų | 96.3 | 65% | 0.645 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 126.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 176 | P | 32.9 | Very low | 31.7 | Very low | 62 Ų | 62 | 92.6 Ų | 92.6 | 40% | 0.403 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -80.5 | 129 | 179.4 | 28.7 | -30.6 | 0 | 0 | 0 | 111.6 | E180 | P176-E180 HydrophobicContact CB-CB 4.26Å; P176-E180 HydrophobicContact CB-CG 3.94Å; P176-E180 WeakPolarHBondContact CB-OE1 3.27Å; P176-E180 WeakPolarHBondContact CB-OE2 3.48Å |
| 177 | S | 33.2 | Very low | 31.2 | Very low | 71 Ų | 71 | 90.4 Ų | 90.4 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 161.5 | 178.4 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | E179 E180 | S177-E179 PolarHBondContact O-N 3.42Å; S177-E180 PolarHBondContact O-N 3.37Å |
| 178 | S | 37.6 | Very low | 31.3 | Very low | 96 Ų | 96 | 91.2 Ų | 91.2 | 67% | 0.671 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -15.1 | 177.5 | 67.5 | 0 | 0 | 0 | 0 | 115.4 | E180 C181 | S178-E180 VanDerWaalsContact C-N 3.34Å; S178-C181 PolarHBondContact O-N 2.97Å |
| 179 | E | 33.7 | Very low | 31.3 | Very low | 91 Ų | 91 | 90 Ų | 90 | 43% | 0.425 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.6 | -27.8 | 172.7 | -77.5 | 179.3 | 155 | 0 | 0 | 112.7 | S177 C181 R182 F183 K447 | S177-E179 PolarHBondContact O-N 3.42Å; E179-C181 VanDerWaalsContact C-N 3.32Å; E179-C181 PolarHBondContact O-N 2.91Å; E179-R182 CarbonylContact O-C 3.32Å; E179-R182 WeakPolarHBondContact O-CB 3.32Å; E179-R182 PolarHBondContact O-N 2.89Å; E179-R182 VanDerWaalsContact O-N 3.08Å; E179-F183 WeakPolarHBondContact O-CB 2.95Å; E179-F183 PolarHBondContact O-N 3Å; E179-K447 IonicContact OE1-NZ 3.88Å; E179-K447 PolarHBondContact OE1-NZ 2.72Å |
| 180 | E | 30.8 | Very low | 31.2 | Very low | 108 Ų | 108 | 82.1 Ų | 82.1 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.9 | -26.2 | 177.4 | -74.9 | -166 | -175.8 | 0 | 0 | 113.6 | P176 S177 S178 F183 L184 | P176-E180 HydrophobicContact CB-CB 4.26Å; P176-E180 HydrophobicContact CB-CG 3.94Å; P176-E180 WeakPolarHBondContact CB-OE1 3.27Å; P176-E180 WeakPolarHBondContact CB-OE2 3.48Å; S177-E180 PolarHBondContact O-N 3.37Å; S178-E180 VanDerWaalsContact C-N 3.34Å; E180-F183 WeakPolarHBondContact O-CB 3.15Å; E180-F183 PolarHBondContact O-N 2.95Å; E180-L184 PolarHBondContact O-N 3.07Å |
| 181 | C | 28.7 | Very low | 31.5 | Very low | 56 Ų | 56 | 79.9 Ų | 79.9 | 38% | 0.378 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.8 | -32.8 | 170 | -78 | 0 | 0 | 0 | 0 | 111.7 | S178 E179 | S178-C181 PolarHBondContact O-N 2.97Å; E179-C181 VanDerWaalsContact C-N 3.32Å; E179-C181 PolarHBondContact O-N 2.91Å |
| 182 | R | 30.5 | Very low | 32.4 | Very low | 181 Ų | 181 | 76 Ų | 76 | 68% | 0.683 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -71.4 | -34.4 | 171.6 | -69.3 | -175 | -171.5 | 174.8 | 2.8 | 111.4 | E179 L184 S185 A186 | E179-R182 CarbonylContact O-C 3.32Å; E179-R182 WeakPolarHBondContact O-CB 3.32Å; E179-R182 PolarHBondContact O-N 2.89Å; E179-R182 VanDerWaalsContact O-N 3.08Å; R182-L184 VanDerWaalsContact C-N 3.32Å; R182-L184 PolarHBondContact O-N 3.31Å; R182-S185 PolarHBondContact O-N 3.29Å; R182-S185 VanDerWaalsContact O-N 3.11Å; R182-S185 PolarHBondContact O-OG 3.44Å; R182-A186 PolarHBondContact O-N 3.2Å |
| 183 | F | 30.7 | Very low | 33 | Very low | 47 Ų | 47 | 70.5 Ų | 70.5 | 21% | 0.206 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -56.6 | -42.8 | 175.3 | 178.3 | -110.4 | 0 | 0 | 0 | 112.1 | E179 E180 S185 A186 I187 V436 R437 D440 | E179-F183 WeakPolarHBondContact O-CB 2.95Å; E179-F183 PolarHBondContact O-N 3Å; E180-F183 WeakPolarHBondContact O-CB 3.15Å; E180-F183 PolarHBondContact O-N 2.95Å; F183-S185 VanDerWaalsContact C-N 3.29Å; F183-S185 PolarHBondContact O-N 2.93Å; F183-A186 PolarHBondContact O-N 2.98Å; F183-A186 VanDerWaalsContact O-N 3.09Å; F183-I187 HydrophobicContact CD1-CD1 3.51Å; F183-I187 HydrophobicContact CD2-CD1 4.36Å; F183-I187 HydrophobicContact CE1-CD1 3.28Å; F183-I187 HydrophobicContact CE1-CG1 4.37Å; F183-I187 HydrophobicContact CE2-CD1 4.18Å; F183-I187 HydrophobicContact CE2-CG1 4.49Å; F183-I187 HydrophobicContact CG-CD1 4.04Å; F183-I187 HydrophobicContact CZ-CD1 3.65Å; F183-I187 HydrophobicContact CZ-CG1 4.32Å; F183-I187 WeakPolarHBondContact O-CD1 3.37Å; F183-I187 VanDerWaalsContact O-CG1 3.26Å; F183-I187 WeakPolarHBondContact O-CG1 3.46Å; F183-I187 PolarHBondContact O-N 3.43Å; F183-V436 HydrophobicContact CD2-CG1 3.95Å; F183-V436 HydrophobicContact CE2-CB 4.16Å; F183-V436 HydrophobicContact CE2-CG1 3.24Å; F183-V436 HydrophobicContact CZ-CB 4.28Å; F183-V436 HydrophobicContact CZ-CG1 3.71Å; F183-R437 HydrophobicContact CZ-CG 4.24Å; F183-D440 WeakPolarHBondContact CD2-OD2 3.47Å; F183-D440 WeakPolarHBondContact CE2-OD2 3.45Å |
| 184 | L | 27.7 | Very low | 33.4 | Very low | 86 Ų | 86 | 67 Ų | 67 | 45% | 0.45 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.9 | -32.3 | 176.8 | -71.9 | 171.3 | 0 | 0 | 0 | 113.4 | E180 R182 A186 I187 | E180-L184 PolarHBondContact O-N 3.07Å; R182-L184 VanDerWaalsContact C-N 3.32Å; R182-L184 PolarHBondContact O-N 3.31Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-I187 HydrophobicContact CD2-CD1 4.3Å |
| 185 | S | 31.8 | Very low | 33.7 | Very low | 85 Ų | 85 | 60.8 Ų | 60.8 | 59% | 0.594 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -70.8 | -28.7 | 175 | 73.3 | 0 | 0 | 0 | 0 | 113.2 | R182 F183 | R182-S185 PolarHBondContact O-N 3.29Å; R182-S185 VanDerWaalsContact O-N 3.11Å; R182-S185 PolarHBondContact O-OG 3.44Å; F183-S185 VanDerWaalsContact C-N 3.29Å; F183-S185 PolarHBondContact O-N 2.93Å |
| 186 | A | 28.9 | Very low | 34.1 | Very low | 68 Ų | 68 | 57.3 Ų | 57.3 | 56% | 0.562 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -81.9 | -12.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | R182 F183 L184 | R182-A186 PolarHBondContact O-N 3.2Å; F183-A186 PolarHBondContact O-N 2.98Å; F183-A186 VanDerWaalsContact O-N 3.09Å; L184-A186 VanDerWaalsContact C-N 3.33Å |
| 187 | I | 28.1 | Very low | 34.3 | Very low | 21 Ų | 21 | 54.4 Ų | 54.4 | 11% | 0.108 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -14.8 | -176.1 | -66.8 | 161.7 | 0 | 0 | 0 | 113.3 | F183 L184 P189 A190 Y191 V436 | F183-I187 HydrophobicContact CD1-CD1 3.51Å; F183-I187 HydrophobicContact CD2-CD1 4.36Å; F183-I187 HydrophobicContact CE1-CD1 3.28Å; F183-I187 HydrophobicContact CE1-CG1 4.37Å; F183-I187 HydrophobicContact CE2-CD1 4.18Å; F183-I187 HydrophobicContact CE2-CG1 4.49Å; F183-I187 HydrophobicContact CG-CD1 4.04Å; F183-I187 HydrophobicContact CZ-CD1 3.65Å; F183-I187 HydrophobicContact CZ-CG1 4.32Å; F183-I187 WeakPolarHBondContact O-CD1 3.37Å; F183-I187 VanDerWaalsContact O-CG1 3.26Å; F183-I187 WeakPolarHBondContact O-CG1 3.46Å; F183-I187 PolarHBondContact O-N 3.43Å; L184-I187 HydrophobicContact CD2-CD1 4.3Å; I187-P189 VanDerWaalsContact C-N 3.3Å; I187-P189 VanDerWaalsContact O-N 3.08Å; I187-A190 PolarHBondContact O-N 3.48Å; I187-Y191 HydrophobicContact CG2-CE2 3.8Å; I187-Y191 VanDerWaalsContact CG2-OH 3.29Å; I187-Y191 WeakPolarHBondContact CG2-OH 3.47Å; I187-Y191 WeakPolarHBondContact O-CE2 3.48Å; I187-V436 HydrophobicContact CB-CG1 4.44Å; I187-V436 HydrophobicContact CD1-CG1 4.05Å; I187-V436 HydrophobicContact CG1-CB 3.97Å; I187-V436 HydrophobicContact CG1-CG1 3.24Å; I187-V436 HydrophobicContact CG1-CG2 4.06Å |
| 188 | R | 35.7 | Very low | 34.5 | Very low | 129 Ų | 129 | 52.1 Ų | 52.1 | 49% | 0.487 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.7 | -40.2 | -176.6 | -117.6 | 178.9 | -159.4 | 168 | 5.8 | 115.9 | A190 | R188-A190 PolarHBondContact O-N 2.81Š|
| 189 | P | 32.1 | Very low | 34.5 | Very low | 44 Ų | 44 | 48 Ų | 48 | 29% | 0.286 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 25.6 | -168.7 | -9.1 | 28.6 | 0 | 0 | 0 | 116.3 | E104 I187 H192 | E104-P189 HydrophobicContact CB-CB 4.31Å; E104-P189 WeakPolarHBondContact O-CB 3.27Å; I187-P189 VanDerWaalsContact C-N 3.3Å; I187-P189 VanDerWaalsContact O-N 3.08Å; P189-H192 VanDerWaalsContact CA-NE2 3.29Å; P189-H192 WeakPolarHBondContact CA-NE2 3.42Å; P189-H192 PolarHBondContact O-CD2 2.71Å; P189-H192 PolarHBondContact O-NE2 2.9Å |
| 190 | A | 28.3 | Very low | 34.7 | Very low | 9 Ų | 9 | 45.3 Ų | 45.3 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | trans | -120.5 | 37.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | I187 R188 H192 L432 | I187-A190 PolarHBondContact O-N 3.48Å; R188-A190 PolarHBondContact O-N 2.81Å; A190-H192 PolarHBondContact N-NE2 2.84Å; A190-L432 HydrophobicContact CB-CB 3.67Å; A190-L432 HydrophobicContact CB-CD2 3.92Å; A190-L432 HydrophobicContact CB-CG 4.25Å; A190-L432 WeakPolarHBondContact O-CB 3.4Å; A190-L432 WeakPolarHBondContact O-CD1 3.06Å; A190-L432 VanDerWaalsContact O-CG 3.27Å; A190-L432 WeakPolarHBondContact O-CG 3.39Å | ||
| 191 | Y | 38.2 | Very low | 34.8 | Very low | 25 Ų | 25 | 42 Ų | 42 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | trans | -149.6 | 59.5 | -172.4 | -59.6 | -79.9 | 0 | 0 | 0 | 114.8 | F98 L148 I187 | F98-Y191 WeakPolarHBondContact CD1-O 3.33Å; F98-Y191 HydrophobicContact CE1-CD2 4.19Å; F98-Y191 AromaticContact CE1-CG 3.83Å; F98-Y191 HydrophobicContact CE1-CG 3.83Å; F98-Y191 HydrophobicContact CZ-CG 4.35Å; L148-Y191 HydrophobicContact CD2-CE1 4.02Å; I187-Y191 HydrophobicContact CG2-CE2 3.8Å; I187-Y191 VanDerWaalsContact CG2-OH 3.29Å; I187-Y191 WeakPolarHBondContact CG2-OH 3.47Å; I187-Y191 WeakPolarHBondContact O-CE2 3.48Å | ||
| 192 | H | 48.5 | Very low | 35.1 | Very low | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.028 | 23% | 0.23 | C | C | . | . | trans | -126.7 | 20.4 | -149.6 | -59.2 | -50.8 | 0 | 0 | 0 | 121 | Y103 P189 A190 | Y103-H192 AromaticContact CD1-CE1 3.06Å; Y103-H192 WeakPolarHBondContact CD1-CE1 3.49Å; Y103-H192 AromaticContact CD1-CG 3.91Å; Y103-H192 AromaticContact CD1-ND1 3.02Å; Y103-H192 WeakPolarHBondContact CD1-ND1 3.43Å; Y103-H192 AromaticContact CD1-NE2 3.92Å; Y103-H192 HydrophobicContact CD2-CB 4.45Å; Y103-H192 AromaticContact CD2-ND1 3.88Å; Y103-H192 AromaticContact CE1-CE1 3.67Å; Y103-H192 AromaticContact CE1-ND1 3.43Å; Y103-H192 WeakPolarHBondContact CE1-ND1 2.94Å; Y103-H192 HydrophobicContact CG-CB 4.37Å; Y103-H192 AromaticContact CG-CE1 3.61Å; Y103-H192 AromaticContact CG-CG 3.67Å; Y103-H192 AromaticContact CG-ND1 3.25Å; P189-H192 VanDerWaalsContact CA-NE2 3.29Å; P189-H192 WeakPolarHBondContact CA-NE2 3.42Å; P189-H192 PolarHBondContact O-CD2 2.71Å; P189-H192 PolarHBondContact O-NE2 2.9Å; A190-H192 PolarHBondContact N-NE2 2.84Å | ||
| 193 | V | 41.3 | Very low | 35 | Very low | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -128 | -12.6 | 168.5 | -168.8 | 0 | 0 | 0 | 0 | 113.3 | L196 L425 F428 | V193-L196 PolarHBondContact O-N 3.05Å; V193-L425 HydrophobicContact CB-CD2 3.44Å; V193-L425 VanDerWaalsContact CB-CD2 3.44Å; V193-L425 HydrophobicContact CG1-CD2 3.64Å; V193-L425 WeakPolarHBondContact O-CD2 3.48Å; V193-F428 HydrophobicContact CB-CD1 4.39Å; V193-F428 HydrophobicContact CG2-CD1 4.13Å; V193-F428 HydrophobicContact CG2-CE1 3.9Å |
| 194 | L | 40.9 | Very low | 35.1 | Very low | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | -168.4 | -127 | 105.6 | 0 | 0 | 0 | 115.7 | I141 L145 L196 A198 L425 V429 | I141-L194 HydrophobicContact CG2-CD2 3.19Å; I141-L194 HydrophobicContact CG2-CG 4.39Å; L145-L194 HydrophobicContact CD1-CB 4.14Å; L145-L194 HydrophobicContact CD1-CD2 3.38Å; L145-L194 HydrophobicContact CD1-CG 4.31Å; L145-L194 HydrophobicContact CD2-CB 4.19Å; L145-L194 HydrophobicContact CD2-CD2 3.73Å; L145-L194 HydrophobicContact CG-CD2 3.52Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L194-L196 PolarHBondContact O-N 2.89Å; L194-A198 PolarHBondContact O-N 3.34Å; L194-L425 HydrophobicContact CB-CD2 4.31Å; L194-L425 HydrophobicContact CD1-CB 3.72Å; L194-L425 HydrophobicContact CD1-CD2 4.03Å; L194-L425 HydrophobicContact CD1-CG 4.42Å; L194-L425 WeakPolarHBondContact CD1-O 3.48Å; L194-L425 HydrophobicContact CG-CB 4.21Å; L194-L425 HydrophobicContact CG-CD1 4.43Å; L194-L425 HydrophobicContact CG-CD2 4.21Å; L194-V429 HydrophobicContact CB-CG2 4.31Å; L194-V429 HydrophobicContact CD1-CB 3.89Å; L194-V429 HydrophobicContact CD1-CG2 3.28Å; L194-V429 HydrophobicContact CG-CG2 4.28Å |
| 195 | P | 37.4 | Very low | 35.3 | Very low | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.5 | -24.1 | 178.5 | -12.2 | 22.9 | 0 | 0 | 0 | 114.5 | L36 V95 F98 I197 A198 S199 | L36-P195 HydrophobicContact CD1-CG 4.24Å; L36-P195 HydrophobicContact CD2-CB 3.79Å; L36-P195 HydrophobicContact CD2-CG 3.9Å; V95-P195 HydrophobicContact CB-CB 4.16Å; V95-P195 HydrophobicContact CB-CG 3.97Å; V95-P195 HydrophobicContact CG1-CB 4.17Å; V95-P195 HydrophobicContact CG1-CG 3.99Å; V95-P195 HydrophobicContact CG2-CB 3.84Å; V95-P195 HydrophobicContact CG2-CG 4.19Å; F98-P195 HydrophobicContact CB-CG 4.21Å; P195-I197 PolarHBondContact O-N 3.3Å; P195-A198 PolarHBondContact O-N 3.45Å; P195-S199 PolarHBondContact O-N 3.41Å; P195-S199 VanDerWaalsContact O-N 3.12Å; P195-S199 PolarHBondContact O-OG 2.93Å |
| 196 | L | 39.5 | Very low | 35.1 | Very low | 5 Ų | 5 | 39.1 Ų | 39.1 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -32.2 | -175.4 | -118.8 | 145.7 | 0 | 0 | 0 | 111.3 | L36 V193 L194 S199 F340 V344 | L36-L196 HydrophobicContact CB-CD1 4.26Å; L36-L196 HydrophobicContact CB-CG 4.24Å; L36-L196 HydrophobicContact CD2-CB 3.51Å; L36-L196 HydrophobicContact CD2-CD1 3.57Å; L36-L196 HydrophobicContact CD2-CG 3.6Å; L36-L196 HydrophobicContact CG-CD1 3.82Å; L36-L196 HydrophobicContact CG-CG 4.15Å; V193-L196 PolarHBondContact O-N 3.05Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L194-L196 PolarHBondContact O-N 2.89Å; L196-S199 PolarHBondContact O-OG 2.87Å; L196-F340 HydrophobicContact CD2-CE2 3.91Å; L196-F340 WeakPolarHBondContact O-CE2 3.48Å; L196-V344 HydrophobicContact CD2-CG2 4.18Å |
| 197 | I | 37.4 | Very low | 35.1 | Very low | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -96.3 | -33.4 | -178 | -65.8 | 178.3 | 0 | 0 | 0 | 111.2 | P195 S199 M200 Y418 V421 L425 | P195-I197 PolarHBondContact O-N 3.3Å; I197-S199 PolarHBondContact O-N 2.02Å; I197-M200 HydrophobicContact CB-SD 4.39Å; I197-M200 HydrophobicContact CG1-CE 4.36Å; I197-M200 HydrophobicContact CG1-SD 4.4Å; I197-M200 HydrophobicContact CG2-SD 3.95Å; I197-M200 WeakPolarHBondContact O-CB 3.28Å; I197-M200 PolarHBondContact O-N 3.36Å; I197-M200 VanDerWaalsContact O-N 3.1Å; I197-Y418 HydrophobicContact CG2-CD2 3.77Å; I197-Y418 HydrophobicContact CG2-CE2 3.44Å; I197-Y418 VanDerWaalsContact CG2-CE2 3.44Å; I197-V421 HydrophobicContact CD1-CB 4.05Å; I197-V421 HydrophobicContact CD1-CG1 3.1Å; I197-L425 HydrophobicContact CB-CD1 3.47Å; I197-L425 VanDerWaalsContact CB-CD1 3.47Å; I197-L425 HydrophobicContact CD1-CD1 3.32Å; I197-L425 HydrophobicContact CD1-CG 3.95Å; I197-L425 HydrophobicContact CG1-CD1 3.75Å; I197-L425 HydrophobicContact CG2-CD1 3.94Å |
| 198 | A | 37.8 | Very low | 35.2 | Very low | 22 Ų | 22 | 47.6 Ų | 47.6 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -24.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L142 L194 P195 | L142-A198 HydrophobicContact CD2-CB 3.97Å; L194-A198 PolarHBondContact O-N 3.34Å; P195-A198 PolarHBondContact O-N 3.45Å |
| 199 | S | 36.8 | Very low | 34.8 | Very low | 11 Ų | 11 | 47.2 Ų | 47.2 | 8% | 0.077 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 6.8 | 175.5 | 61.9 | 0 | 0 | 0 | 0 | 114.8 | S33 P195 L196 I197 P201 | S33-S199 WeakPolarHBondContact CA-OG 3.42Å; S33-S199 WeakPolarHBondContact CB-OG 3.45Å; S33-S199 PolarHBondContact N-OG 2.88Å; S33-S199 VanDerWaalsContact N-OG 3.15Å; P195-S199 PolarHBondContact O-N 3.41Å; P195-S199 VanDerWaalsContact O-N 3.12Å; P195-S199 PolarHBondContact O-OG 2.93Å; L196-S199 PolarHBondContact O-OG 2.87Å; I197-S199 PolarHBondContact O-N 2.02Å; S199-P201 VanDerWaalsContact O-CD 3.3Å; S199-P201 WeakPolarHBondContact O-CD 3.08Å |
| 200 | M | 36.7 | Very low | 34.8 | Very low | 34 Ų | 34 | 52.4 Ų | 52.4 | 17% | 0.167 | 30% | 0.296 | C | S | . | . | trans | -62 | 122.4 | 176.4 | -79.8 | 175.1 | 154.1 | 0 | 0 | 110 | I197 A202 F205 L290 F340 | I197-M200 HydrophobicContact CB-SD 4.39Å; I197-M200 HydrophobicContact CG1-CE 4.36Å; I197-M200 HydrophobicContact CG1-SD 4.4Å; I197-M200 HydrophobicContact CG2-SD 3.95Å; I197-M200 WeakPolarHBondContact O-CB 3.28Å; I197-M200 PolarHBondContact O-N 3.36Å; I197-M200 VanDerWaalsContact O-N 3.1Å; M200-A202 PolarHBondContact O-N 3.48Å; M200-F205 HydrophobicContact CB-CE2 3.91Å; M200-F205 HydrophobicContact CB-CZ 4.41Å; M200-F205 HydrophobicContact CE-CZ 4.43Å; M200-F205 HydrophobicContact CG-CE2 4.5Å; M200-F205 HydrophobicContact SD-CE2 3.98Å; M200-F205 HydrophobicContact SD-CZ 3.71Å; M200-L290 HydrophobicContact CE-CD1 3.42Å; M200-L290 VanDerWaalsContact CE-CD1 3.42Å; M200-F340 HydrophobicContact CE-CE1 3.55Å; M200-F340 HydrophobicContact CE-CE2 4.06Å; M200-F340 HydrophobicContact CE-CZ 3.19Å; M200-F340 HydrophobicContact CG-CE2 3.92Å; M200-F340 HydrophobicContact CG-CZ 3.99Å; M200-F340 HydrophobicContact SD-CZ 4.42Å | ||
| 201 | P | 34.7 | Very low | 35 | Very low | 38 Ų | 38 | 57.4 Ų | 57.4 | 25% | 0.247 | 34% | 0.338 | C | S | . | . | trans | -60.2 | 127.7 | 176.8 | -21.8 | 31.2 | 0 | 0 | 0 | 110.7 | S199 A203 L204 | S199-P201 VanDerWaalsContact O-CD 3.3Å; S199-P201 WeakPolarHBondContact O-CD 3.08Å; P201-A203 HydrophobicContact CB-CB 4.43Å; P201-A203 PolarHBondContact O-N 2.96Å; P201-L204 PolarHBondContact O-N 3.04Å | ||
| 202 | A | 34.7 | Very low | 34.6 | Very low | 58 Ų | 58 | 60.7 Ų | 60.7 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -54.3 | -24.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M200 L204 F205 W206 | M200-A202 PolarHBondContact O-N 3.48Å; A202-L204 VanDerWaalsContact C-N 3.3Å; A202-L204 PolarHBondContact O-N 2.91Å; A202-F205 CarbonylContact O-C 3.57Å; A202-F205 PolarHBondContact O-N 3.19Å; A202-W206 HydrophobicContact CB-CE3 4.42Å; A202-W206 PolarHBondContact O-N 2.83Å |
| 203 | A | 26.9 | Very low | 33.7 | Very low | 75 Ų | 75 | 69.4 Ų | 69.4 | 62% | 0.62 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -64.9 | -24.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P201 F205 | P201-A203 HydrophobicContact CB-CB 4.43Å; P201-A203 PolarHBondContact O-N 2.96Å; A203-F205 PolarHBondContact O-N 3.44Å |
| 204 | L | 34.1 | Very low | 33.1 | Very low | 74 Ų | 74 | 77.1 Ų | 77.1 | 39% | 0.387 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -69.4 | -19.6 | 170.4 | -79.4 | 170 | 0 | 0 | 0 | 111.9 | P201 A202 F340 | P201-L204 PolarHBondContact O-N 3.04Å; A202-L204 VanDerWaalsContact C-N 3.3Å; A202-L204 PolarHBondContact O-N 2.91Å; L204-F340 HydrophobicContact CD1-CD1 4.45Å |
| 205 | F | 32 | Very low | 32.5 | Very low | 51 Ų | 51 | 85.1 Ų | 85.1 | 22% | 0.224 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -22.4 | -174.9 | -55.1 | -44.2 | 0 | 0 | 0 | 113.1 | M200 A202 A203 D414 | M200-F205 HydrophobicContact CB-CE2 3.91Å; M200-F205 HydrophobicContact CB-CZ 4.41Å; M200-F205 HydrophobicContact CE-CZ 4.43Å; M200-F205 HydrophobicContact CG-CE2 4.5Å; M200-F205 HydrophobicContact SD-CE2 3.98Å; M200-F205 HydrophobicContact SD-CZ 3.71Å; A202-F205 CarbonylContact O-C 3.57Å; A202-F205 PolarHBondContact O-N 3.19Å; A203-F205 PolarHBondContact O-N 3.44Å; F205-D414 HydrophobicContact CD1-CB 3.14Å; F205-D414 WeakPolarHBondContact CD1-OD2 3.47Å; F205-D414 HydrophobicContact CE1-CB 3.13Å; F205-D414 HydrophobicContact CG-CB 3.92Å; F205-D414 HydrophobicContact CZ-CB 3.96Å |
| 206 | W | 27.8 | Very low | 31.9 | Very low | 137 Ų | 137 | 90.6 Ų | 90.6 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | trans | -139.8 | 85 | -177.8 | -68 | -33.1 | 0 | 0 | 0 | 112 | A202 N208 L209 | A202-W206 HydrophobicContact CB-CE3 4.42Å; A202-W206 PolarHBondContact O-N 2.83Å; W206-N208 PolarHBondContact O-N 2.9Å; W206-L209 HydrophobicContact CB-CD1 3.87Å; W206-L209 HydrophobicContact CD2-CD1 3.41Å; W206-L209 VanDerWaalsContact CD2-CD1 3.41Å; W206-L209 HydrophobicContact CE3-CD1 3.25Å; W206-L209 HydrophobicContact CG-CD1 3.72Å; W206-L209 HydrophobicContact CZ3-CD1 3.87Å | ||
| 207 | P | 28.6 | Very low | 31.2 | Very low | 113 Ų | 113 | 98.7 Ų | 98.7 | 73% | 0.734 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 1.1 | 176.3 | 24.4 | -30.3 | 0 | 0 | 0 | 114.4 | ||
| 208 | N | 28.9 | Very low | 30.6 | Very low | 153 Ų | 153 | 106.8 Ų | 106.8 | 82% | 0.818 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.7 | 53.7 | -175.7 | -81.8 | -36.3 | 0 | 0 | 0 | 114.5 | W206 | W206-N208 PolarHBondContact O-N 2.9Š|
| 209 | L | 29 | Very low | 30 | Very low | 121 Ų | 121 | 113.9 Ų | 113.9 | 63% | 0.634 | 64% | 0.642 | S | S | * | * | trans | -114.9 | 108.2 | 166.1 | -86.8 | 161.3 | 0 | 0 | 0 | 110.9 | W206 | W206-L209 HydrophobicContact CB-CD1 3.87Å; W206-L209 HydrophobicContact CD2-CD1 3.41Å; W206-L209 VanDerWaalsContact CD2-CD1 3.41Å; W206-L209 HydrophobicContact CE3-CD1 3.25Å; W206-L209 HydrophobicContact CG-CD1 3.72Å; W206-L209 HydrophobicContact CZ3-CD1 3.87Å | ||
| 210 | N | 31 | Very low | 29.5 | Very low | 154 Ų | 154 | 119.3 Ų | 119.3 | 82% | 0.824 | 68% | 0.679 | S | S | * | * | trans | -57 | 133.6 | 174.1 | -79.4 | -26 | 0 | 0 | 0 | 111 | S212 | N210-S212 PolarHBondContact O-N 3Š| ||
| 211 | A | 33.4 | Very low | 29.1 | Very low | 114 Ų | 114 | 125 Ų | 125 | 94% | 0.942 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -71.4 | 30.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 212 | S | 30 | Very low | 28.7 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | trans | -123.2 | 66 | -174 | 71.8 | 0 | 0 | 0 | 0 | 113.3 | N210 | N210-S212 PolarHBondContact O-N 3Š| ||
| 213 | Q | 29.5 | Very low | 28.6 | Very low | 188 Ų | 188 | 137.6 Ų | 137.6 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -169.4 | 55 | 163.1 | -110.7 | 165 | 29.6 | 0 | 0 | 113.9 | ||
| 214 | N | 27.4 | Very low | 28.7 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | trans | -146.5 | 32.4 | 176.5 | -107 | -28.3 | 0 | 0 | 0 | 117 | ||||
| 215 | I | 28 | Very low | 28.7 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | trans | -127.5 | 82.6 | 174.3 | -51.5 | 175.8 | 0 | 0 | 0 | 109.3 | ||||
| 216 | S | 25.1 | Very low | 28.7 | Very low | 116 Ų | 116 | 157.1 Ų | 157.1 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -174.5 | 40.3 | 152.8 | -149.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 217 | L | 25.2 | Very low | 29.6 | Very low | 175 Ų | 175 | 156 Ų | 156 | 92% | 0.916 | 83% | 0.833 | S | S | * | * | trans | -147 | 51.8 | 175.8 | -114.5 | 151.5 | 0 | 0 | 0 | 112.2 | ||||
| 218 | M | 24.7 | Very low | 30.2 | Very low | 172 Ų | 172 | 157.4 Ų | 157.4 | 85% | 0.847 | 83% | 0.83 | S | S | * | * | trans | -144.4 | 123.5 | 160.7 | -86.6 | -143.5 | -91.4 | 0 | 0 | 107.9 | ||||
| 219 | L | 26.4 | Very low | 31 | Very low | 171 Ų | 171 | 161.2 Ų | 161.2 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | trans | 121.3 | 73.6 | 168.6 | -71.6 | 144.6 | 0 | 0 | 0 | 113.9 | ||||
| 220 | S | 25.3 | Very low | 31.4 | Very low | 124 Ų | 124 | 162.5 Ų | 162.5 | 87% | 0.867 | 84% | 0.837 | S | S | * | * | trans | -166 | 62.7 | 146 | -83.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 221 | L | 27.6 | Very low | 32.1 | Very low | 155 Ų | 155 | 157.7 Ų | 157.7 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | trans | -124.6 | 74.1 | 162.7 | -87.2 | 162.3 | 0 | 0 | 0 | 108.4 | I223 | L221-I223 HydrophobicContact CD2-CD1 3.61Å; L221-I223 HydrophobicContact CD2-CG1 4.08Å | ||
| 222 | K | 26.2 | Very low | 32.5 | Very low | 215 Ų | 215 | 153.1 Ų | 153.1 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | trans | -87.1 | 88.9 | 159.1 | -87.6 | -177.7 | 176.1 | 175.1 | 0 | 107.1 | ||||
| 223 | I | 33.6 | Very low | 33 | Very low | 145 Ų | 145 | 157.8 Ų | 157.8 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -110.1 | 125.5 | 168.7 | -61.5 | -178.1 | 0 | 0 | 0 | 108.6 | L221 | L221-I223 HydrophobicContact CD2-CD1 3.61Å; L221-I223 HydrophobicContact CD2-CG1 4.08Å | ||
| 224 | K | 29.9 | Very low | 33.5 | Very low | 205 Ų | 205 | 154 Ų | 154 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | trans | -66.1 | 142.4 | -174.5 | -86.8 | 173 | 169.3 | 174.5 | 0 | 111.9 | ||||
| 225 | K | 32.6 | Very low | 34.3 | Very low | 207 Ų | 207 | 148.6 Ų | 148.6 | 90% | 0.9 | 74% | 0.741 | S | S | * | * | trans | -46.3 | 128 | 171.4 | -70.1 | 175.1 | 170.4 | 179 | 0 | 115 | ||||
| 226 | K | 33.3 | Very low | 35 | Very low | 197 Ų | 197 | 141 Ų | 141 | 86% | 0.857 | 70% | 0.702 | S | S | * | * | trans | 147.7 | 155 | 138.7 | -92.8 | -175.4 | 171.3 | -177.3 | 0 | 111.7 | ||||
| 227 | P | 45.7 | Very low | 36.1 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | -109.7 | 110.9 | -68.7 | 31.2 | -12.3 | 0 | 0 | 0 | 110.8 | R229 | P227-R229 VanDerWaalsContact C-N 3.32Å; P227-R229 PolarHBondContact O-N 3.28Å | |||
| 228 | E | 42.1 | Very low | 37.1 | Very low | 144 Ų | 144 | 133 Ų | 133 | 67% | 0.673 | 65% | 0.654 | S | S | * | * | trans | -83.5 | 22.4 | -171.2 | -70 | 178.1 | 150.1 | 0 | 0 | 115.9 | M230 A231 | E228-M230 VanDerWaalsContact C-N 3.32Å; E228-M230 PolarHBondContact O-N 3.47Å; E228-M230 VanDerWaalsContact O-N 3.16Å; E228-A231 PolarHBondContact O-N 3.46Å | ||
| 229 | R | 45 | Very low | 38.5 | Very low | 232 Ų | 232 | 127.2 Ų | 127.2 | 88% | 0.875 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -15.1 | -166.6 | -72 | -172.1 | -172.4 | 174.9 | 1.1 | 116.4 | P227 | P227-R229 VanDerWaalsContact C-N 3.32Å; P227-R229 PolarHBondContact O-N 3.28Å |
| 230 | M | 38.2 | Very low | 39.8 | Very low | 148 Ų | 148 | 119.3 Ų | 119.3 | 73% | 0.729 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -13.9 | 177.9 | -77.8 | -169.8 | -178.1 | 0 | 0 | 114.7 | E228 D232 | E228-M230 VanDerWaalsContact C-N 3.32Å; E228-M230 PolarHBondContact O-N 3.47Å; E228-M230 VanDerWaalsContact O-N 3.16Å; M230-D232 VanDerWaalsContact C-N 3.33Å; M230-D232 PolarHBondContact O-N 2.72Å |
| 231 | A | 45.2 | Very low | 41.5 | Very low | 54 Ų | 54 | 115.8 Ų | 115.8 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.5 | -34.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | E228 R233 L234 T235 | E228-A231 PolarHBondContact O-N 3.46Å; A231-R233 PolarHBondContact O-N 2.72Å; A231-L234 PolarHBondContact O-N 2.64Å; A231-T235 PolarHBondContact O-N 2.69Å; A231-T235 PolarHBondContact O-OG1 3.27Å |
| 232 | D | 42.5 | Very low | 42.9 | Very low | 18 Ų | 18 | 112.8 Ų | 112.8 | 10% | 0.096 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -73.6 | -34.2 | -163.5 | -66 | -9.3 | 0 | 0 | 0 | 114.5 | R150 L151 M230 T235 | R150-D232 VanDerWaalsContact CZ-CG 3.43Å; R150-D232 IonicContact CZ-OD1 2.61Å; R150-D232 IonicContact CZ-OD2 2.72Å; R150-D232 VanDerWaalsContact NH1-CG 3.31Å; R150-D232 IonicContact NH1-OD1 3.26Å; R150-D232 PolarHBondContact NH1-OD1 2.92Å; R150-D232 IonicContact NH1-OD2 2.72Å; R150-D232 PolarHBondContact NH1-OD2 3.12Å; R150-D232 IonicContact NH2-OD1 2.81Å; R150-D232 PolarHBondContact NH2-OD1 3.41Å; R150-D232 IonicContact NH2-OD2 3.9Å; R150-D232 PolarHBondContact NH2-OD2 2.88Å; L151-D232 HydrophobicContact CD2-CB 3.93Å; M230-D232 VanDerWaalsContact C-N 3.33Å; M230-D232 PolarHBondContact O-N 2.72Å; D232-T235 WeakPolarHBondContact CA-OG1 3.36Å; D232-T235 PolarHBondContact O-N 3.29Å; D232-T235 PolarHBondContact O-OG1 3.27Å |
| 233 | R | 40.5 | Very low | 44.2 | Very low | 191 Ų | 191 | 104.8 Ų | 104.8 | 72% | 0.721 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.4 | -34.7 | 175.6 | -74.9 | -171 | -174.1 | -174.8 | 4.1 | 112 | A231 | A231-R233 PolarHBondContact O-N 2.72Å |
| 234 | L | 39.7 | Very low | 45.5 | Very low | 110 Ų | 110 | 98.9 Ų | 98.9 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.4 | -42 | 174.3 | -105.2 | 102 | 0 | 0 | 0 | 110.6 | A231 V236 S237 L238 | A231-L234 PolarHBondContact O-N 2.64Å; L234-V236 PolarHBondContact O-N 3.41Å; L234-S237 PolarHBondContact O-N 3.33Å; L234-S237 PolarHBondContact O-OG 3.49Å; L234-L238 HydrophobicContact CB-CD1 4.32Å; L234-L238 WeakPolarHBondContact O-CD1 3.24Å; L234-L238 WeakPolarHBondContact O-CG 3.29Å; L234-L238 PolarHBondContact O-N 2.95Å |
| 235 | T | 44.6 | Very low | 47.1 | Very low | 54 Ų | 54 | 92.2 Ų | 92.2 | 33% | 0.331 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | -170.7 | -20.2 | 0 | 0 | 0 | 0 | 113.8 | A231 D232 L238 C239 | A231-T235 PolarHBondContact O-N 2.69Å; A231-T235 PolarHBondContact O-OG1 3.27Å; D232-T235 WeakPolarHBondContact CA-OG1 3.36Å; D232-T235 PolarHBondContact O-N 3.29Å; D232-T235 PolarHBondContact O-OG1 3.27Å; T235-L238 WeakPolarHBondContact O-CB 3.34Å; T235-L238 PolarHBondContact O-N 3.22Å; T235-C239 PolarHBondContact O-N 3.35Å; T235-C239 PolarHBondContact O-SG 3.49Å; T235-C239 VanDerWaalsContact O-SG 3.4Å |
| 236 | V | 41.8 | Very low | 48.1 | Very low | 15 Ų | 15 | 86.1 Ų | 86.1 | 9% | 0.091 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -83.7 | -27.2 | -179.5 | 164.3 | 0 | 0 | 0 | 0 | 112.6 | L148 L151 L234 L238 C239 T240 R433 | L148-V236 HydrophobicContact CD2-CG1 4.38Å; L151-V236 HydrophobicContact CD1-CB 3.47Å; L151-V236 VanDerWaalsContact CD1-CB 3.47Å; L151-V236 HydrophobicContact CD1-CG1 4Å; L151-V236 HydrophobicContact CD1-CG2 3.19Å; L151-V236 HydrophobicContact CG-CG2 4.46Å; L234-V236 PolarHBondContact O-N 3.41Å; V236-L238 PolarHBondContact O-N 3.13Å; V236-C239 PolarHBondContact O-N 3.19Å; V236-T240 PolarHBondContact O-N 3.4Å; V236-R433 PolarHBondContact O-NH1 3.43Å; V236-R433 PolarHBondContact O-NH2 3.33Å |
| 237 | S | 47.8 | Very low | 49 | Very low | 48 Ų | 48 | 76.9 Ų | 76.9 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 165.1 | 81.4 | 0 | 0 | 0 | 0 | 110.9 | L234 T240 S241 | L234-S237 PolarHBondContact O-N 3.33Å; L234-S237 PolarHBondContact O-OG 3.49Å; S237-T240 PolarHBondContact O-N 3.24Å; S237-S241 WeakPolarHBondContact O-CB 3.05Å; S237-S241 PolarHBondContact O-N 3.31Å; S237-S241 PolarHBondContact O-OG 3.46Å |
| 238 | L | 47.2 | Very low | 50 | Low | 74 Ų | 74 | 78.6 Ų | 78.6 | 39% | 0.387 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62 | -49.5 | 176 | -69.1 | 160 | 0 | 0 | 0 | 110.7 | L234 T235 V236 T240 S241 D242 | L234-L238 HydrophobicContact CB-CD1 4.32Å; L234-L238 WeakPolarHBondContact O-CD1 3.24Å; L234-L238 WeakPolarHBondContact O-CG 3.29Å; L234-L238 PolarHBondContact O-N 2.95Å; T235-L238 WeakPolarHBondContact O-CB 3.34Å; T235-L238 PolarHBondContact O-N 3.22Å; V236-L238 PolarHBondContact O-N 3.13Å; L238-T240 VanDerWaalsContact C-N 3.32Å; L238-T240 PolarHBondContact O-N 3.12Å; L238-T240 VanDerWaalsContact O-N 3.16Å; L238-S241 WeakPolarHBondContact CA-OG 3.02Å; L238-S241 PolarHBondContact O-N 2.92Å; L238-S241 PolarHBondContact O-OG 3.47Å; L238-D242 WeakPolarHBondContact O-CB 3.46Å; L238-D242 PolarHBondContact O-N 3.44Å |
| 239 | C | 53 | Low | 51.1 | Low | 52 Ų | 52 | 78.3 Ų | 78.3 | 35% | 0.351 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -56.5 | -40.8 | -179.2 | -66 | 0 | 0 | 0 | 0 | 114.4 | T235 V236 F243 | T235-C239 PolarHBondContact O-N 3.35Å; T235-C239 PolarHBondContact O-SG 3.49Å; T235-C239 VanDerWaalsContact O-SG 3.4Å; V236-C239 PolarHBondContact O-N 3.19Å; C239-F243 WeakPolarHBondContact O-CB 3.04Å; C239-F243 PolarHBondContact O-N 2.82Å; C239-F243 VanDerWaalsContact O-N 3.13Å |
| 240 | T | 53.5 | Low | 51.3 | Low | 5 Ų | 5 | 72.1 Ų | 72.1 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -78.9 | -40.2 | 178.9 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | V236 S237 L238 D242 F243 E244 F256 R433 | V236-T240 PolarHBondContact O-N 3.4Å; S237-T240 PolarHBondContact O-N 3.24Å; L238-T240 VanDerWaalsContact C-N 3.32Å; L238-T240 PolarHBondContact O-N 3.12Å; L238-T240 VanDerWaalsContact O-N 3.16Å; T240-D242 VanDerWaalsContact C-N 3.29Å; T240-D242 PolarHBondContact O-N 3.35Å; T240-F243 PolarHBondContact O-N 3.47Å; T240-E244 HydrophobicContact CG2-CG 4.46Å; T240-E244 WeakPolarHBondContact O-CG 3.4Å; T240-E244 PolarHBondContact O-N 2.94Å; T240-F256 HydrophobicContact CG2-CE2 4.21Å; T240-R433 WeakPolarHBondContact OG1-CD 3.12Å; T240-R433 PolarHBondContact OG1-NH1 2.73Å |
| 241 | S | 60.8 | Low | 52.9 | Low | 50 Ų | 50 | 73.6 Ų | 73.6 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 175.1 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | S237 L238 F243 E244 T245 | S237-S241 WeakPolarHBondContact O-CB 3.05Å; S237-S241 PolarHBondContact O-N 3.31Å; S237-S241 PolarHBondContact O-OG 3.46Å; L238-S241 WeakPolarHBondContact CA-OG 3.02Å; L238-S241 PolarHBondContact O-N 2.92Å; L238-S241 PolarHBondContact O-OG 3.47Å; S241-F243 VanDerWaalsContact C-N 3.34Å; S241-E244 PolarHBondContact O-N 3.3Å; S241-T245 WeakPolarHBondContact O-CB 3.45Å; S241-T245 PolarHBondContact O-N 3.14Å; S241-T245 PolarHBondContact O-OG1 3.17Å |
| 242 | D | 59 | Low | 53.6 | Low | 92 Ų | 92 | 72.8 Ų | 72.8 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 179.5 | -64.9 | -10.1 | 0 | 0 | 0 | 109.9 | L238 T240 T245 L246 | L238-D242 WeakPolarHBondContact O-CB 3.46Å; L238-D242 PolarHBondContact O-N 3.44Å; T240-D242 VanDerWaalsContact C-N 3.29Å; T240-D242 PolarHBondContact O-N 3.35Å; D242-T245 PolarHBondContact O-N 3.3Å; D242-L246 WeakPolarHBondContact O-CB 3.42Å; D242-L246 PolarHBondContact O-N 2.96Å |
| 243 | F | 52.4 | Low | 55 | Low | 46 Ų | 46 | 82.9 Ų | 82.9 | 20% | 0.202 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -72.2 | -40.7 | 177.4 | -161.1 | -75.7 | 0 | 0 | 0 | 112.9 | C239 T240 S241 T245 L246 L247 F256 L430 | C239-F243 WeakPolarHBondContact O-CB 3.04Å; C239-F243 PolarHBondContact O-N 2.82Å; C239-F243 VanDerWaalsContact O-N 3.13Å; T240-F243 PolarHBondContact O-N 3.47Å; S241-F243 VanDerWaalsContact C-N 3.34Å; F243-T245 PolarHBondContact O-N 3.37Å; F243-L246 CarbonylContact O-C 3.27Å; F243-L246 WeakPolarHBondContact O-CB 3.27Å; F243-L246 PolarHBondContact O-N 3.23Å; F243-L247 HydrophobicContact CD1-CD1 3.74Å; F243-L247 HydrophobicContact CD1-CD2 4.25Å; F243-L247 HydrophobicContact CD1-CG 3.57Å; F243-L247 HydrophobicContact CE1-CD1 3.62Å; F243-L247 HydrophobicContact CE1-CD2 3.65Å; F243-L247 HydrophobicContact CE1-CG 3.47Å; F243-L247 VanDerWaalsContact CE1-CG 3.47Å; F243-L247 HydrophobicContact CZ-CD2 4.44Å; F243-L247 WeakPolarHBondContact O-CB 3.5Å; F243-L247 WeakPolarHBondContact O-CG 3.46Å; F243-L247 PolarHBondContact O-N 3Å; F243-F256 HydrophobicContact CB-CZ 4.01Å; F243-F256 HydrophobicContact CD1-CD1 4.33Å; F243-F256 AromaticContact CD1-CE1 3.09Å; F243-F256 HydrophobicContact CD1-CE1 3.09Å; F243-F256 HydrophobicContact CD1-CE2 4.42Å; F243-F256 AromaticContact CD1-CZ 3.14Å; F243-F256 HydrophobicContact CD1-CZ 3.14Å; F243-F256 HydrophobicContact CE1-CD1 4.21Å; F243-F256 AromaticContact CE1-CE1 3.21Å; F243-F256 HydrophobicContact CE1-CE1 3.21Å; F243-F256 AromaticContact CE1-CZ 3.82Å; F243-F256 HydrophobicContact CE1-CZ 3.82Å; F243-F256 HydrophobicContact CG-CE1 4.1Å; F243-F256 AromaticContact CG-CZ 3.88Å; F243-F256 HydrophobicContact CG-CZ 3.88Å; F243-F256 HydrophobicContact CZ-CE1 4.32Å; F243-L430 HydrophobicContact CB-CD1 4.01Å; F243-L430 HydrophobicContact CB-CD2 4.34Å; F243-L430 HydrophobicContact CD1-CD1 3.39Å; F243-L430 HydrophobicContact CD2-CD1 3.43Å; F243-L430 VanDerWaalsContact CD2-CD1 3.43Å; F243-L430 HydrophobicContact CE1-CD1 3.48Å; F243-L430 VanDerWaalsContact CE1-CD1 3.48Å; F243-L430 HydrophobicContact CE2-CD1 3.55Å; F243-L430 HydrophobicContact CG-CD1 3.32Å; F243-L430 HydrophobicContact CZ-CD1 3.54Å |
| 244 | E | 60.5 | Low | 56.5 | Low | 22 Ų | 22 | 77 Ų | 77 | 10% | 0.103 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 171.9 | -76.1 | -171.3 | -152.7 | 0 | 0 | 111.6 | T240 S241 L246 L247 R248 F256 M434 | T240-E244 HydrophobicContact CG2-CG 4.46Å; T240-E244 WeakPolarHBondContact O-CG 3.4Å; T240-E244 PolarHBondContact O-N 2.94Å; S241-E244 PolarHBondContact O-N 3.3Å; E244-L246 VanDerWaalsContact C-N 3.34Å; E244-L247 PolarHBondContact O-N 3.23Å; E244-R248 WeakPolarHBondContact O-CB 3.44Å; E244-R248 VanDerWaalsContact O-CG 3.26Å; E244-R248 WeakPolarHBondContact O-CG 3.26Å; E244-R248 PolarHBondContact O-N 3.44Å; E244-R248 IonicContact OE2-CZ 3.15Å; E244-R248 IonicContact OE2-NH2 3.42Å; E244-R248 PolarHBondContact OE2-NH2 3.38Å; E244-F256 HydrophobicContact CB-CE2 4.48Å; E244-F256 HydrophobicContact CG-CD2 3.94Å; E244-F256 HydrophobicContact CG-CE2 3.34Å; E244-F256 HydrophobicContact CG-CZ 4.2Å; E244-M434 WeakPolarHBondContact OE1-CE 3.38Å |
| 245 | T | 63.7 | Low | 57.8 | Low | 65 Ų | 65 | 72.1 Ų | 72.1 | 40% | 0.399 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 176.6 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | S241 D242 F243 L247 R248 Q249 | S241-T245 WeakPolarHBondContact O-CB 3.45Å; S241-T245 PolarHBondContact O-N 3.14Å; S241-T245 PolarHBondContact O-OG1 3.17Å; D242-T245 PolarHBondContact O-N 3.3Å; F243-T245 PolarHBondContact O-N 3.37Å; T245-L247 VanDerWaalsContact C-N 3.35Å; T245-L247 PolarHBondContact O-N 3.1Å; T245-R248 PolarHBondContact O-N 3.37Å; T245-Q249 VanDerWaalsContact O-CG 3.29Å; T245-Q249 WeakPolarHBondContact O-CG 3.39Å; T245-Q249 PolarHBondContact O-N 2.96Å |
| 246 | L | 53.1 | Low | 58.6 | Low | 79 Ų | 79 | 69.5 Ų | 69.5 | 41% | 0.414 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 173.8 | -173.1 | 67.5 | 0 | 0 | 0 | 111.6 | D242 F243 E244 R248 Q249 L250 | D242-L246 WeakPolarHBondContact O-CB 3.42Å; D242-L246 PolarHBondContact O-N 2.96Å; F243-L246 CarbonylContact O-C 3.27Å; F243-L246 WeakPolarHBondContact O-CB 3.27Å; F243-L246 PolarHBondContact O-N 3.23Å; E244-L246 VanDerWaalsContact C-N 3.34Å; L246-R248 PolarHBondContact O-N 3.48Å; L246-Q249 WeakPolarHBondContact O-CB 3.32Å; L246-Q249 PolarHBondContact O-N 3.29Å; L246-L250 HydrophobicContact CG-CD1 4.29Å; L246-L250 WeakPolarHBondContact O-CB 3.34Å; L246-L250 VanDerWaalsContact O-CG 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 2.9Å |
| 247 | L | 52.5 | Low | 60 | Low | 2 Ų | 2 | 70.9 Ų | 70.9 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | 176.3 | -76.5 | -174.6 | 0 | 0 | 0 | 112.6 | F243 E244 T245 Q249 L250 K251 Y252 F256 L259 | F243-L247 HydrophobicContact CD1-CD1 3.74Å; F243-L247 HydrophobicContact CD1-CD2 4.25Å; F243-L247 HydrophobicContact CD1-CG 3.57Å; F243-L247 HydrophobicContact CE1-CD1 3.62Å; F243-L247 HydrophobicContact CE1-CD2 3.65Å; F243-L247 HydrophobicContact CE1-CG 3.47Å; F243-L247 VanDerWaalsContact CE1-CG 3.47Å; F243-L247 HydrophobicContact CZ-CD2 4.44Å; F243-L247 WeakPolarHBondContact O-CB 3.5Å; F243-L247 WeakPolarHBondContact O-CG 3.46Å; F243-L247 PolarHBondContact O-N 3Å; E244-L247 PolarHBondContact O-N 3.23Å; T245-L247 VanDerWaalsContact C-N 3.35Å; T245-L247 PolarHBondContact O-N 3.1Å; L247-Q249 VanDerWaalsContact C-N 3.32Å; L247-L250 CarbonylContact O-C 3.42Å; L247-L250 VanDerWaalsContact O-C 3.25Å; L247-L250 WeakPolarHBondContact O-CA 3.32Å; L247-L250 PolarHBondContact O-N 3.06Å; L247-L250 VanDerWaalsContact O-N 3.16Å; L247-K251 PolarHBondContact O-N 3.02Å; L247-K251 VanDerWaalsContact O-N 3.14Å; L247-Y252 HydrophobicContact CD2-CD2 3.91Å; L247-Y252 HydrophobicContact CD2-CG 4.43Å; L247-Y252 WeakPolarHBondContact O-CB 3.35Å; L247-Y252 PolarHBondContact O-N 3.46Å; L247-F256 HydrophobicContact CD1-CD1 3.51Å; L247-F256 HydrophobicContact CD1-CD2 4.35Å; L247-F256 HydrophobicContact CD1-CE1 3.4Å; L247-F256 VanDerWaalsContact CD1-CE1 3.4Å; L247-F256 HydrophobicContact CD1-CE2 4.35Å; L247-F256 HydrophobicContact CD1-CG 3.97Å; L247-F256 HydrophobicContact CD1-CZ 3.86Å; L247-F256 HydrophobicContact CG-CE1 4.42Å; L247-L259 HydrophobicContact CD2-CD2 3.51Å |
| 248 | R | 67.2 | Low | 61 | Low | 150 Ų | 150 | 70.3 Ų | 70.3 | 57% | 0.566 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.1 | -38.7 | 174.7 | -71.3 | 174.4 | -161.4 | 168.2 | 9.8 | 111 | E244 T245 L246 L250 K251 | E244-R248 WeakPolarHBondContact O-CB 3.44Å; E244-R248 VanDerWaalsContact O-CG 3.26Å; E244-R248 WeakPolarHBondContact O-CG 3.26Å; E244-R248 PolarHBondContact O-N 3.44Å; E244-R248 IonicContact OE2-CZ 3.15Å; E244-R248 IonicContact OE2-NH2 3.42Å; E244-R248 PolarHBondContact OE2-NH2 3.38Å; T245-R248 PolarHBondContact O-N 3.37Å; L246-R248 PolarHBondContact O-N 3.48Å; R248-L250 VanDerWaalsContact C-N 3.29Å; R248-L250 PolarHBondContact O-N 3.28Å; R248-K251 WeakPolarHBondContact O-CA 3.26Å; R248-K251 PolarHBondContact O-N 3.46Å |
| 249 | Q | 64.9 | Low | 61.9 | Low | 137 Ų | 137 | 68.1 Ų | 68.1 | 64% | 0.64 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 171.5 | -71.5 | 171 | -2.1 | 0 | 0 | 111.2 | T245 L246 L247 K251 | T245-Q249 VanDerWaalsContact O-CG 3.29Å; T245-Q249 WeakPolarHBondContact O-CG 3.39Å; T245-Q249 PolarHBondContact O-N 2.96Å; L246-Q249 WeakPolarHBondContact O-CB 3.32Å; L246-Q249 PolarHBondContact O-N 3.29Å; L247-Q249 VanDerWaalsContact C-N 3.32Å; Q249-K251 PolarHBondContact O-N 3.46Å |
| 250 | L | 50.2 | Low | 62.8 | Low | 103 Ų | 103 | 65.8 Ų | 65.8 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 13.4 | 172 | -64.3 | 173.3 | 0 | 0 | 0 | 113.7 | L246 L247 R248 Y252 | L246-L250 HydrophobicContact CG-CD1 4.29Å; L246-L250 WeakPolarHBondContact O-CB 3.34Å; L246-L250 VanDerWaalsContact O-CG 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.44Å; L246-L250 PolarHBondContact O-N 2.9Å; L247-L250 CarbonylContact O-C 3.42Å; L247-L250 VanDerWaalsContact O-C 3.25Å; L247-L250 WeakPolarHBondContact O-CA 3.32Å; L247-L250 PolarHBondContact O-N 3.06Å; L247-L250 VanDerWaalsContact O-N 3.16Å; R248-L250 VanDerWaalsContact C-N 3.29Å; R248-L250 PolarHBondContact O-N 3.28Å; L250-Y252 VanDerWaalsContact C-N 3.28Å; L250-Y252 HydrophobicContact CB-CD2 3.85Å; L250-Y252 HydrophobicContact CB-CE2 4.09Å; L250-Y252 PolarHBondContact O-N 2.87Å |
| 251 | K | 71.2 | Confident | 63.9 | Low | 179 Ų | 179 | 66.6 Ų | 66.6 | 78% | 0.778 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 12.5 | 176.1 | -55.2 | 178.7 | 178.9 | 174 | 0 | 116.4 | L247 R248 Q249 R253 | L247-K251 PolarHBondContact O-N 3.02Å; L247-K251 VanDerWaalsContact O-N 3.14Å; R248-K251 WeakPolarHBondContact O-CA 3.26Å; R248-K251 PolarHBondContact O-N 3.46Å; Q249-K251 PolarHBondContact O-N 3.46Å; K251-R253 PolarHBondContact O-N 3.28Å |
| 252 | Y | 60.4 | Low | 64.4 | Low | 36 Ų | 36 | 65.8 Ų | 65.8 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | trans | -78.2 | 87.7 | 169.9 | -66.6 | -78.9 | 0 | 0 | 0 | 110.5 | L247 L250 S254 G255 E258 L259 E262 | L247-Y252 HydrophobicContact CD2-CD2 3.91Å; L247-Y252 HydrophobicContact CD2-CG 4.43Å; L247-Y252 WeakPolarHBondContact O-CB 3.35Å; L247-Y252 PolarHBondContact O-N 3.46Å; L250-Y252 VanDerWaalsContact C-N 3.28Å; L250-Y252 HydrophobicContact CB-CD2 3.85Å; L250-Y252 HydrophobicContact CB-CE2 4.09Å; L250-Y252 PolarHBondContact O-N 2.87Å; Y252-S254 VanDerWaalsContact C-N 3.34Å; Y252-S254 PolarHBondContact O-N 3.5Å; Y252-G255 WeakPolarHBondContact O-CA 3.3Å; Y252-G255 PolarHBondContact O-N 2.73Å; Y252-E258 HydrophobicContact CD1-CB 3.87Å; Y252-E258 HydrophobicContact CD1-CG 3.93Å; Y252-L259 HydrophobicContact CD1-CB 3.66Å; Y252-L259 HydrophobicContact CD2-CB 4.43Å; Y252-L259 HydrophobicContact CE1-CB 3.54Å; Y252-L259 HydrophobicContact CE1-CD1 3.99Å; Y252-L259 HydrophobicContact CE1-CG 4.32Å; Y252-L259 HydrophobicContact CE2-CB 4.37Å; Y252-L259 HydrophobicContact CE2-CD1 4.28Å; Y252-L259 HydrophobicContact CE2-CD2 4.49Å; Y252-L259 HydrophobicContact CG-CB 4.09Å; Y252-L259 WeakPolarHBondContact OH-CD1 3.24Å; Y252-E262 VanDerWaalsContact CE1-OE2 3.26Å; Y252-E262 WeakPolarHBondContact CE1-OE2 3.5Å; Y252-E262 PolarHBondContact OH-OE1 2.78Å | ||
| 253 | R | 71.8 | Confident | 65.1 | Low | 231 Ų | 231 | 61.9 Ų | 61.9 | 87% | 0.872 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -37.6 | -174.3 | -67.1 | -174.4 | 179.9 | -174.8 | 0.4 | 112.8 | K251 G255 E258 | K251-R253 PolarHBondContact O-N 3.28Å; R253-G255 PolarHBondContact O-N 3.24Å; R253-E258 PolarHBondContact N-OE2 3.4Å; R253-E258 VanDerWaalsContact N-OE2 3.1Å |
| 254 | S | 71.4 | Confident | 66.5 | Low | 68 Ų | 68 | 60 Ų | 60 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 12.5 | 174.3 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | Y252 F256 E257 E258 | Y252-S254 VanDerWaalsContact C-N 3.34Å; Y252-S254 PolarHBondContact O-N 3.5Å; S254-F256 PolarHBondContact O-N 3.32Å; S254-E257 PolarHBondContact O-N 3.2Å; S254-E258 PolarHBondContact N-OE2 3.22Å; S254-E258 VanDerWaalsContact OG-CB 3.23Å; S254-E258 WeakPolarHBondContact OG-CB 3.19Å; S254-E258 PolarHBondContact OG-OE2 3.37Å |
| 255 | G | 67.7 | Low | 67.5 | Low | 6 Ų | 6 | 58.9 Ų | 58.9 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | 56.8 | -127.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y252 R253 E257 E258 L259 | Y252-G255 WeakPolarHBondContact O-CA 3.3Å; Y252-G255 PolarHBondContact O-N 2.73Å; R253-G255 PolarHBondContact O-N 3.24Å; G255-E257 PolarHBondContact O-N 2.84Å; G255-E257 VanDerWaalsContact O-N 3.12Å; G255-E258 PolarHBondContact O-N 3.21Å; G255-E258 VanDerWaalsContact O-N 3.13Å; G255-L259 PolarHBondContact O-N 2.7Å |
| 256 | F | 61.7 | Low | 68.1 | Low | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -65.8 | -7.9 | -176.8 | -65.7 | -66.5 | 0 | 0 | 0 | 116.6 | T240 F243 E244 L247 S254 F427 L430 T431 M434 | T240-F256 HydrophobicContact CG2-CE2 4.21Å; F243-F256 HydrophobicContact CB-CZ 4.01Å; F243-F256 HydrophobicContact CD1-CD1 4.33Å; F243-F256 AromaticContact CD1-CE1 3.09Å; F243-F256 HydrophobicContact CD1-CE1 3.09Å; F243-F256 HydrophobicContact CD1-CE2 4.42Å; F243-F256 AromaticContact CD1-CZ 3.14Å; F243-F256 HydrophobicContact CD1-CZ 3.14Å; F243-F256 HydrophobicContact CE1-CD1 4.21Å; F243-F256 AromaticContact CE1-CE1 3.21Å; F243-F256 HydrophobicContact CE1-CE1 3.21Å; F243-F256 AromaticContact CE1-CZ 3.82Å; F243-F256 HydrophobicContact CE1-CZ 3.82Å; F243-F256 HydrophobicContact CG-CE1 4.1Å; F243-F256 AromaticContact CG-CZ 3.88Å; F243-F256 HydrophobicContact CG-CZ 3.88Å; F243-F256 HydrophobicContact CZ-CE1 4.32Å; E244-F256 HydrophobicContact CB-CE2 4.48Å; E244-F256 HydrophobicContact CG-CD2 3.94Å; E244-F256 HydrophobicContact CG-CE2 3.34Å; E244-F256 HydrophobicContact CG-CZ 4.2Å; L247-F256 HydrophobicContact CD1-CD1 3.51Å; L247-F256 HydrophobicContact CD1-CD2 4.35Å; L247-F256 HydrophobicContact CD1-CE1 3.4Å; L247-F256 VanDerWaalsContact CD1-CE1 3.4Å; L247-F256 HydrophobicContact CD1-CE2 4.35Å; L247-F256 HydrophobicContact CD1-CG 3.97Å; L247-F256 HydrophobicContact CD1-CZ 3.86Å; L247-F256 HydrophobicContact CG-CE1 4.42Å; S254-F256 PolarHBondContact O-N 3.32Å; F256-F427 HydrophobicContact CB-CZ 4.36Å; F256-F427 HydrophobicContact CD1-CD2 4.36Å; F256-F427 AromaticContact CD1-CE2 3.88Å; F256-F427 HydrophobicContact CD1-CE2 3.88Å; F256-F427 HydrophobicContact CD1-CZ 4.41Å; F256-F427 WeakPolarHBondContact O-CE1 3.1Å; F256-F427 WeakPolarHBondContact O-CZ 3.34Å; F256-L430 HydrophobicContact CD1-CB 3.4Å; F256-L430 VanDerWaalsContact CD1-CB 3.4Å; F256-L430 HydrophobicContact CD1-CD1 4.4Å; F256-L430 HydrophobicContact CD2-CB 4.29Å; F256-L430 HydrophobicContact CE1-CB 2.96Å; F256-L430 HydrophobicContact CE1-CD1 3.34Å; F256-L430 HydrophobicContact CE1-CD2 4.32Å; F256-L430 HydrophobicContact CE1-CG 3.67Å; F256-L430 HydrophobicContact CE2-CB 3.87Å; F256-L430 HydrophobicContact CG-CB 4.06Å; F256-L430 HydrophobicContact CZ-CB 3.23Å; F256-L430 HydrophobicContact CZ-CD1 3.64Å; F256-L430 HydrophobicContact CZ-CD2 3.9Å; F256-L430 HydrophobicContact CZ-CG 3.77Å; F256-T431 HydrophobicContact CB-CG2 4.29Å; F256-T431 WeakPolarHBondContact O-CG2 3.32Å; F256-T431 PolarHBondContact O-OG1 3.11Å; F256-M434 HydrophobicContact CB-CG 4.27Å; F256-M434 HydrophobicContact CD2-CG 3.6Å; F256-M434 HydrophobicContact CD2-SD 4.42Å; F256-M434 HydrophobicContact CE2-CG 4.44Å; F256-M434 HydrophobicContact CG-CG 4.34Å |
| 257 | E | 69.8 | Low | 69.3 | Low | 44 Ų | 44 | 52.8 Ų | 52.8 | 21% | 0.206 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -90.5 | -28.8 | 173.8 | -65.5 | -65.7 | -161.9 | 0 | 0 | 111.3 | R110 S254 G255 R260 L261 R435 | R110-E257 IonicContact CZ-OE2 3.13Å; R110-E257 IonicContact NH1-OE2 3.82Å; R110-E257 PolarHBondContact NH1-OE2 2.93Å; R110-E257 IonicContact NH2-OE1 3.72Å; R110-E257 PolarHBondContact NH2-OE1 3.11Å; R110-E257 IonicContact NH2-OE2 2.64Å; R110-E257 PolarHBondContact NH2-OE2 2.61Å; S254-E257 PolarHBondContact O-N 3.2Å; G255-E257 PolarHBondContact O-N 2.84Å; G255-E257 VanDerWaalsContact O-N 3.12Å; E257-R260 VanDerWaalsContact CD-NH2 3.29Å; E257-R260 IonicContact OE1-NH2 3.34Å; E257-R260 PolarHBondContact OE1-NH2 2.91Å; E257-R260 IonicContact OE2-CZ 3.45Å; E257-R260 VanDerWaalsContact OE2-CZ 3.3Å; E257-R260 IonicContact OE2-NE 2.68Å; E257-R260 PolarHBondContact OE2-NE 2.94Å; E257-R260 VanDerWaalsContact OE2-NE 3.1Å; E257-R260 IonicContact OE2-NH2 2.83Å; E257-R260 PolarHBondContact OE2-NH2 3.42Å; E257-L261 WeakPolarHBondContact O-CB 3.43Å; E257-L261 PolarHBondContact O-N 3.36Å; E257-R435 IonicContact OE1-NE 3.79Å; E257-R435 PolarHBondContact OE1-NE 3.42Å |
| 258 | E | 69.7 | Low | 70.8 | Confident | 35 Ų | 35 | 53 Ų | 53 | 16% | 0.164 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.8 | -53.8 | -179.4 | -157.1 | 155 | -173 | 0 | 0 | 112.6 | K116 Y252 R253 S254 G255 R260 L261 E262 | K116-E258 IonicContact NZ-OE1 2.82Å; K116-E258 PolarHBondContact NZ-OE1 3.16Å; Y252-E258 HydrophobicContact CD1-CB 3.87Å; Y252-E258 HydrophobicContact CD1-CG 3.93Å; R253-E258 PolarHBondContact N-OE2 3.4Å; R253-E258 VanDerWaalsContact N-OE2 3.1Å; S254-E258 PolarHBondContact N-OE2 3.22Å; S254-E258 VanDerWaalsContact OG-CB 3.23Å; S254-E258 WeakPolarHBondContact OG-CB 3.19Å; S254-E258 PolarHBondContact OG-OE2 3.37Å; G255-E258 PolarHBondContact O-N 3.21Å; G255-E258 VanDerWaalsContact O-N 3.13Å; E258-R260 PolarHBondContact O-N 3.36Å; E258-R260 VanDerWaalsContact O-N 3.13Å; E258-L261 WeakPolarHBondContact O-CB 3.2Å; E258-L261 PolarHBondContact O-N 3.08Å; E258-E262 WeakPolarHBondContact O-CB 3.13Å; E258-E262 PolarHBondContact O-N 2.83Å |
| 259 | L | 66.5 | Low | 71.4 | Confident | 28 Ų | 28 | 48 Ų | 48 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.7 | -20.6 | 179.9 | 167.2 | 65.6 | 0 | 0 | 0 | 110.6 | L247 Y252 G255 L263 F427 | L247-L259 HydrophobicContact CD2-CD2 3.51Å; Y252-L259 HydrophobicContact CD1-CB 3.66Å; Y252-L259 HydrophobicContact CD2-CB 4.43Å; Y252-L259 HydrophobicContact CE1-CB 3.54Å; Y252-L259 HydrophobicContact CE1-CD1 3.99Å; Y252-L259 HydrophobicContact CE1-CG 4.32Å; Y252-L259 HydrophobicContact CE2-CB 4.37Å; Y252-L259 HydrophobicContact CE2-CD1 4.28Å; Y252-L259 HydrophobicContact CE2-CD2 4.49Å; Y252-L259 HydrophobicContact CG-CB 4.09Å; Y252-L259 WeakPolarHBondContact OH-CD1 3.24Å; G255-L259 PolarHBondContact O-N 2.7Å; L259-L263 WeakPolarHBondContact O-CB 3.44Å; L259-L263 PolarHBondContact O-N 3.35Å; L259-F427 HydrophobicContact CB-CD2 3.87Å; L259-F427 HydrophobicContact CB-CE2 3.16Å; L259-F427 HydrophobicContact CB-CZ 3.63Å; L259-F427 HydrophobicContact CD1-CD2 4.5Å; L259-F427 HydrophobicContact CD2-CD2 3.09Å; L259-F427 HydrophobicContact CD2-CE2 3.26Å; L259-F427 HydrophobicContact CD2-CG 4.16Å; L259-F427 HydrophobicContact CD2-CZ 4.4Å; L259-F427 HydrophobicContact CG-CD2 3.21Å; L259-F427 HydrophobicContact CG-CE2 3.09Å; L259-F427 HydrophobicContact CG-CG 4.02Å; L259-F427 HydrophobicContact CG-CZ 3.83Å |
| 260 | R | 70.2 | Confident | 71.8 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.015 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.2 | -52.4 | 178 | -163 | 154.5 | 54.4 | 148.8 | -32.7 | 110.3 | R110 E257 E258 E262 L263 C264 A298 F300 F427 T431 | R110-R260 VanDerWaalsContact CZ-CZ 3.46Å; R110-R260 VanDerWaalsContact NH1-NH2 3.15Å; E257-R260 VanDerWaalsContact CD-NH2 3.29Å; E257-R260 IonicContact OE1-NH2 3.34Å; E257-R260 PolarHBondContact OE1-NH2 2.91Å; E257-R260 IonicContact OE2-CZ 3.45Å; E257-R260 VanDerWaalsContact OE2-CZ 3.3Å; E257-R260 IonicContact OE2-NE 2.68Å; E257-R260 PolarHBondContact OE2-NE 2.94Å; E257-R260 VanDerWaalsContact OE2-NE 3.1Å; E257-R260 IonicContact OE2-NH2 2.83Å; E257-R260 PolarHBondContact OE2-NH2 3.42Å; E258-R260 PolarHBondContact O-N 3.36Å; E258-R260 VanDerWaalsContact O-N 3.13Å; R260-E262 VanDerWaalsContact C-N 3.32Å; R260-L263 PolarHBondContact O-N 3.5Å; R260-C264 WeakPolarHBondContact O-CB 3.18Å; R260-C264 PolarHBondContact O-N 3.46Å; R260-A298 PolarHBondContact NH1-O 2.93Å; R260-F300 HydrophobicContact CG-CE2 3.89Å; R260-F300 HydrophobicContact CG-CZ 4.22Å; R260-F427 HydrophobicContact CB-CD1 4.13Å; R260-F427 HydrophobicContact CB-CE1 3.09Å; R260-F427 HydrophobicContact CB-CZ 3.56Å; R260-F427 HydrophobicContact CG-CD1 4.18Å; R260-F427 HydrophobicContact CG-CE1 3.5Å; R260-F427 VanDerWaalsContact CG-CE1 3.5Å; R260-F427 HydrophobicContact CG-CZ 4.44Å; R260-T431 VanDerWaalsContact NH2-CG2 3.29Å |
| 261 | L | 77.7 | Confident | 73.1 | Confident | 22 Ų | 22 | 38.9 Ų | 38.9 | 12% | 0.115 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -46.7 | -178.8 | 176.4 | 61.7 | 0 | 0 | 0 | 108.9 | Q113 K116 E257 E258 S265 F300 | Q113-L261 HydrophobicContact CB-CD1 4.08Å; Q113-L261 HydrophobicContact CB-CG 4.41Å; Q113-L261 HydrophobicContact CG-CD1 3.94Å; Q113-L261 HydrophobicContact CG-CD2 4.28Å; Q113-L261 HydrophobicContact CG-CG 4.49Å; K116-L261 HydrophobicContact CB-CG 4.33Å; K116-L261 HydrophobicContact CG-CD2 3.89Å; K116-L261 HydrophobicContact CG-CG 3.96Å; E257-L261 WeakPolarHBondContact O-CB 3.43Å; E257-L261 PolarHBondContact O-N 3.36Å; E258-L261 WeakPolarHBondContact O-CB 3.2Å; E258-L261 PolarHBondContact O-N 3.08Å; L261-S265 WeakPolarHBondContact O-CB 2.79Å; L261-S265 PolarHBondContact O-N 3.28Å; L261-S265 PolarHBondContact O-OG 3.48Å; L261-F300 HydrophobicContact CB-CZ 4.48Å; L261-F300 HydrophobicContact CD1-CE1 3.7Å; L261-F300 HydrophobicContact CD1-CZ 4.23Å |
| 262 | E | 71.7 | Confident | 73.4 | Confident | 32 Ų | 32 | 30.8 Ų | 30.8 | 15% | 0.15 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -51.7 | 174.7 | -179.5 | 164.9 | 156.2 | 0 | 0 | 111.8 | W118 Y252 E258 R260 S265 N266 | W118-E262 PolarHBondContact NE1-OE1 2.84Å; Y252-E262 VanDerWaalsContact CE1-OE2 3.26Å; Y252-E262 WeakPolarHBondContact CE1-OE2 3.5Å; Y252-E262 PolarHBondContact OH-OE1 2.78Å; E258-E262 WeakPolarHBondContact O-CB 3.13Å; E258-E262 PolarHBondContact O-N 2.83Å; R260-E262 VanDerWaalsContact C-N 3.32Å; E262-S265 PolarHBondContact O-N 3.49Å; E262-N266 PolarHBondContact O-N 3.16Å; E262-N266 PolarHBondContact O-ND2 3.25Å |
| 263 | L | 73.4 | Confident | 73.9 | Confident | 11 Ų | 11 | 32.4 Ų | 32.4 | 6% | 0.058 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -51.1 | -177.1 | -169.2 | 78.1 | 0 | 0 | 0 | 112.7 | L259 R260 S265 N266 L267 F420 A424 | L259-L263 WeakPolarHBondContact O-CB 3.44Å; L259-L263 PolarHBondContact O-N 3.35Å; R260-L263 PolarHBondContact O-N 3.5Å; L263-S265 VanDerWaalsContact C-N 3.3Å; L263-S265 PolarHBondContact O-N 3.01Å; L263-N266 PolarHBondContact O-N 3.14Å; L263-L267 HydrophobicContact CG-CD1 4.36Å; L263-L267 WeakPolarHBondContact O-CG 2.9Å; L263-L267 PolarHBondContact O-N 3.33Å; L263-F420 HydrophobicContact CD1-CD1 3.94Å; L263-F420 HydrophobicContact CD1-CE1 3.14Å; L263-F420 HydrophobicContact CD1-CE2 4.41Å; L263-F420 HydrophobicContact CD1-CZ 3.46Å; L263-F420 VanDerWaalsContact CD1-CZ 3.46Å; L263-F420 HydrophobicContact CD2-CE1 4.49Å; L263-F420 HydrophobicContact CG-CE1 3.71Å; L263-F420 HydrophobicContact CG-CZ 4.27Å; L263-A424 HydrophobicContact CD2-CB 3.3Å; L263-A424 HydrophobicContact CG-CB 4.45Å |
| 264 | C | 81.1 | Confident | 73.8 | Confident | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.034 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.1 | -31.6 | 179.2 | -77.6 | 0 | 0 | 0 | 0 | 112.1 | R260 N266 F268 C295 F300 F303 | R260-C264 WeakPolarHBondContact O-CB 3.18Å; R260-C264 PolarHBondContact O-N 3.46Å; C264-N266 VanDerWaalsContact C-N 3.33Å; C264-N266 PolarHBondContact O-N 2.7Å; C264-F268 WeakPolarHBondContact O-CB 3.37Å; C264-F268 PolarHBondContact O-N 2.97Å; C264-C295 WeakPolarHBondContact CA-SG 3.42Å; C264-C295 HydrophobicContact CB-CB 3.85Å; C264-C295 WeakPolarHBondContact CB-SG 3.44Å; C264-C295 VanDerWaalsContact SG-CA 3.58Å; C264-C295 WeakPolarHBondContact SG-CB 3.26Å; C264-C295 CovalentContact SG-SG 2.06Å; C264-C295 PolarHBondContact SG-SG 3.33Å; C264-F300 HydrophobicContact CB-CD1 4.19Å; C264-F300 HydrophobicContact CB-CD2 3.53Å; C264-F300 HydrophobicContact CB-CE1 4.19Å; C264-F300 HydrophobicContact CB-CE2 3.56Å; C264-F300 HydrophobicContact CB-CG 3.87Å; C264-F300 HydrophobicContact CB-CZ 3.9Å; C264-F303 HydrophobicContact CB-CE2 4.08Å; C264-F303 HydrophobicContact CB-CZ 4.5Å; C264-F303 VanDerWaalsContact O-CE2 3.27Å; C264-F303 WeakPolarHBondContact O-CE2 3.36Å; C264-F303 WeakPolarHBondContact O-CZ 3.39Å |
| 265 | S | 81.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.3 | -42.6 | 171.8 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | Q113 L261 E262 L263 Y269 | Q113-S265 PolarHBondContact N-OG 2.84Å; Q113-S265 PolarHBondContact O-OG 3.26Å; L261-S265 WeakPolarHBondContact O-CB 2.79Å; L261-S265 PolarHBondContact O-N 3.28Å; L261-S265 PolarHBondContact O-OG 3.48Å; E262-S265 PolarHBondContact O-N 3.49Å; L263-S265 VanDerWaalsContact C-N 3.3Å; L263-S265 PolarHBondContact O-N 3.01Å; S265-Y269 WeakPolarHBondContact O-CD2 3.37Å |
| 266 | N | 76.4 | Confident | 73.6 | Confident | 11 Ų | 11 | 24.4 Ų | 24.4 | 6% | 0.059 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71.5 | -43.5 | 178.2 | -75.4 | -73.4 | 0 | 0 | 0 | 113 | K116 W118 E262 L263 C264 F268 Y269 V270 | K116-N266 PolarHBondContact O-ND2 2.85Å; W118-N266 WeakPolarHBondContact CB-OD1 3.25Å; W118-N266 HydrophobicContact CD2-CB 4.2Å; W118-N266 HydrophobicContact CE3-CB 4.42Å; W118-N266 VanDerWaalsContact CG-CG 3.46Å; W118-N266 VanDerWaalsContact CG-OD1 3.27Å; W118-N266 PolarHBondContact N-ND2 3.37Å; W118-N266 PolarHBondContact N-OD1 3.46Å; W118-N266 PolarHBondContact NE1-ND2 2.93Å; E262-N266 PolarHBondContact O-N 3.16Å; E262-N266 PolarHBondContact O-ND2 3.25Å; L263-N266 PolarHBondContact O-N 3.14Å; C264-N266 VanDerWaalsContact C-N 3.33Å; C264-N266 PolarHBondContact O-N 2.7Å; N266-F268 PolarHBondContact O-N 3.35Å; N266-Y269 PolarHBondContact O-N 3.17Å; N266-V270 WeakPolarHBondContact O-CG2 3.18Å; N266-V270 PolarHBondContact O-N 3.28Å |
| 267 | L | 79 | Confident | 73.6 | Confident | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.9 | -37.2 | 175.8 | -80.8 | 177.3 | 0 | 0 | 0 | 112.2 | L263 V270 M271 M291 F303 F420 | L263-L267 HydrophobicContact CG-CD1 4.36Å; L263-L267 WeakPolarHBondContact O-CG 2.9Å; L263-L267 PolarHBondContact O-N 3.33Å; L267-V270 PolarHBondContact O-N 2.94Å; L267-M271 VanDerWaalsContact O-CB 3.23Å; L267-M271 WeakPolarHBondContact O-CB 3.45Å; L267-M271 PolarHBondContact O-N 3.11Å; L267-M291 HydrophobicContact CD2-CE 3.83Å; L267-M291 HydrophobicContact CD2-CG 3.97Å; L267-M291 HydrophobicContact CD2-SD 3.93Å; L267-F303 HydrophobicContact CB-CE1 4.2Å; L267-F303 HydrophobicContact CB-CZ 3.8Å; L267-F420 HydrophobicContact CD1-CD1 4.3Å; L267-F420 HydrophobicContact CD1-CE1 3.81Å; L267-F420 HydrophobicContact CD2-CD1 3.51Å; L267-F420 HydrophobicContact CD2-CE1 3.17Å; L267-F420 HydrophobicContact CD2-CG 4.47Å; L267-F420 HydrophobicContact CD2-CZ 3.84Å; L267-F420 HydrophobicContact CG-CD1 4.03Å; L267-F420 HydrophobicContact CG-CE1 3.29Å; L267-F420 HydrophobicContact CG-CZ 3.96Å |
| 268 | F | 83.6 | Confident | 73.2 | Confident | 7 Ų | 7 | 28.3 Ų | 28.3 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.3 | -48.2 | 179.4 | 175.5 | -103.2 | 0 | 0 | 0 | 111.7 | I112 C264 N266 V270 M271 E272 E302 F303 R305 W308 | I112-F268 HydrophobicContact CD1-CB 3.19Å; I112-F268 HydrophobicContact CD1-CD1 3.55Å; I112-F268 HydrophobicContact CD1-CD2 3.36Å; I112-F268 HydrophobicContact CD1-CE1 4.16Å; I112-F268 HydrophobicContact CD1-CE2 4Å; I112-F268 HydrophobicContact CD1-CG 3.07Å; I112-F268 HydrophobicContact CD1-CZ 4.32Å; I112-F268 HydrophobicContact CG1-CB 4.45Å; I112-F268 HydrophobicContact CG2-CD1 4.5Å; C264-F268 WeakPolarHBondContact O-CB 3.37Å; C264-F268 PolarHBondContact O-N 2.97Å; N266-F268 PolarHBondContact O-N 3.35Å; F268-V270 VanDerWaalsContact C-N 3.31Å; F268-V270 PolarHBondContact O-N 2.75Å; F268-M271 HydrophobicContact CD2-CE 3.85Å; F268-M271 HydrophobicContact CE2-CE 4.46Å; F268-M271 PolarHBondContact O-N 3.43Å; F268-E272 WeakPolarHBondContact O-CB 3.39Å; F268-E272 PolarHBondContact O-N 2.79Å; F268-E302 HydrophobicContact CD2-CB 3.97Å; F268-E302 HydrophobicContact CE2-CB 3.48Å; F268-E302 VanDerWaalsContact CE2-CB 3.48Å; F268-E302 WeakPolarHBondContact CE2-O 3.47Å; F268-E302 HydrophobicContact CZ-CB 3.92Å; F268-F303 VanDerWaalsContact CA-CZ 3.47Å; F268-F303 HydrophobicContact CB-CE1 4.27Å; F268-F303 HydrophobicContact CB-CE2 3.7Å; F268-F303 HydrophobicContact CB-CZ 3.55Å; F268-F303 HydrophobicContact CD2-CD2 4.34Å; F268-F303 HydrophobicContact CD2-CE2 4.24Å; F268-F303 HydrophobicContact CD2-CZ 4.43Å; F268-F303 HydrophobicContact CG-CE2 4.44Å; F268-F303 VanDerWaalsContact N-CZ 3.3Å; F268-R305 VanDerWaalsContact CZ-CZ 3.47Å; F268-W308 HydrophobicContact CD2-CH2 4.19Å; F268-W308 AromaticContact CE2-CH2 3.74Å; F268-W308 HydrophobicContact CE2-CH2 3.74Å |
| 269 | Y | 79.3 | Confident | 72.5 | Confident | 46 Ų | 46 | 29.8 Ų | 29.8 | 18% | 0.18 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.9 | -33.2 | 178.1 | -67.9 | -66.4 | 0 | 0 | 0 | 112.5 | I112 A114 R117 S265 N266 H273 | I112-Y269 HydrophobicContact CG2-CE2 4.45Å; A114-Y269 WeakPolarHBondContact CB-OH 3.42Å; R117-Y269 HydrophobicContact CB-CE2 4.36Å; R117-Y269 HydrophobicContact CG-CD2 4.12Å; R117-Y269 HydrophobicContact CG-CE2 4.33Å; S265-Y269 WeakPolarHBondContact O-CD2 3.37Å; N266-Y269 PolarHBondContact O-N 3.17Å; Y269-H273 WeakPolarHBondContact O-CB 3.28Å; Y269-H273 PolarHBondContact O-N 2.82Å |
| 270 | V | 74.2 | Confident | 71.9 | Confident | 47 Ų | 47 | 29.2 Ų | 29.2 | 29% | 0.285 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.7 | -48.2 | 173.3 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | N266 L267 F268 H273 R274 M291 | N266-V270 WeakPolarHBondContact O-CG2 3.18Å; N266-V270 PolarHBondContact O-N 3.28Å; L267-V270 PolarHBondContact O-N 2.94Å; F268-V270 VanDerWaalsContact C-N 3.31Å; F268-V270 PolarHBondContact O-N 2.75Å; V270-H273 PolarHBondContact O-N 3.36Å; V270-R274 WeakPolarHBondContact O-CG 3.37Å; V270-R274 PolarHBondContact O-N 2.84Å; V270-M291 HydrophobicContact CG1-CE 4.23Å |
| 271 | M | 77.7 | Confident | 71 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.6 | -45.8 | -179.8 | 176 | -166.7 | 59.5 | 0 | 0 | 111.4 | L267 F268 H273 R274 V275 A288 M291 Q292 F303 W308 | L267-M271 VanDerWaalsContact O-CB 3.23Å; L267-M271 WeakPolarHBondContact O-CB 3.45Å; L267-M271 PolarHBondContact O-N 3.11Å; F268-M271 HydrophobicContact CD2-CE 3.85Å; F268-M271 HydrophobicContact CE2-CE 4.46Å; F268-M271 PolarHBondContact O-N 3.43Å; M271-H273 VanDerWaalsContact C-N 3.31Å; M271-H273 PolarHBondContact O-N 3.36Å; M271-R274 WeakPolarHBondContact O-CB 3.2Å; M271-R274 PolarHBondContact O-N 2.85Å; M271-R274 VanDerWaalsContact O-N 3.1Å; M271-V275 HydrophobicContact CG-CG2 4.35Å; M271-V275 WeakPolarHBondContact O-CB 3.45Å; M271-V275 VanDerWaalsContact O-CG2 3.3Å; M271-V275 WeakPolarHBondContact O-CG2 3.31Å; M271-V275 PolarHBondContact O-N 3.38Å; M271-A288 HydrophobicContact CG-CB 4.34Å; M271-M291 HydrophobicContact CB-SD 4.01Å; M271-M291 HydrophobicContact SD-CB 4.35Å; M271-Q292 HydrophobicContact CE-CG 4.36Å; M271-Q292 HydrophobicContact SD-CB 4.42Å; M271-Q292 HydrophobicContact SD-CG 3.26Å; M271-Q292 WeakPolarHBondContact SD-CG 3.2Å; M271-F303 HydrophobicContact CE-CD1 3.3Å; M271-F303 HydrophobicContact CE-CE1 3.48Å; M271-F303 VanDerWaalsContact CE-CE1 3.48Å; M271-F303 HydrophobicContact CE-CG 4.19Å; M271-F303 HydrophobicContact CE-CZ 4.45Å; M271-F303 HydrophobicContact SD-CD1 3.68Å; M271-F303 HydrophobicContact SD-CE1 3.9Å; M271-W308 HydrophobicContact CE-CE3 4.23Å; M271-W308 HydrophobicContact CE-CH2 3.12Å; M271-W308 HydrophobicContact CE-CZ2 4.16Å; M271-W308 HydrophobicContact CE-CZ3 3.17Å; M271-W308 HydrophobicContact SD-CH2 4.28Å; M271-W308 HydrophobicContact SD-CZ3 3.97Å |
| 272 | E | 77.6 | Confident | 69.9 | Low | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.1 | -48.7 | 175.1 | 178.3 | 168.6 | -120.9 | 0 | 0 | 109.9 | F268 R274 V275 V276 R305 F367 G368 | F268-E272 WeakPolarHBondContact O-CB 3.39Å; F268-E272 PolarHBondContact O-N 2.79Å; E272-R274 PolarHBondContact O-N 2.68Å; E272-V275 PolarHBondContact O-N 3.27Å; E272-V276 HydrophobicContact CG-CG2 4.27Å; E272-V276 WeakPolarHBondContact O-CG2 3.23Å; E272-V276 PolarHBondContact O-N 2.79Å; E272-R305 IonicContact OE1-CZ 3.37Å; E272-R305 IonicContact OE1-NH1 3.19Å; E272-R305 PolarHBondContact OE1-NH1 3.06Å; E272-R305 IonicContact OE1-NH2 3.38Å; E272-R305 PolarHBondContact OE1-NH2 3.01Å; E272-F367 HydrophobicContact CG-CB 4.44Å; E272-F367 HydrophobicContact CG-CD1 4.07Å; E272-F367 WeakPolarHBondContact OE1-CA 3.5Å; E272-G368 PolarHBondContact OE1-N 2.71Å |
| 273 | H | 70.8 | Confident | 69.5 | Low | 69 Ų | 69 | 36.3 Ų | 36.3 | 32% | 0.319 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.1 | -46.6 | 174 | -178.7 | -79 | 0 | 0 | 0 | 111.8 | Y269 V270 M271 V275 V276 S277 | Y269-H273 WeakPolarHBondContact O-CB 3.28Å; Y269-H273 PolarHBondContact O-N 2.82Å; V270-H273 PolarHBondContact O-N 3.36Å; M271-H273 VanDerWaalsContact C-N 3.31Å; M271-H273 PolarHBondContact O-N 3.36Å; H273-V275 PolarHBondContact O-N 3.29Å; H273-V276 PolarHBondContact O-N 3.45Å; H273-S277 WeakPolarHBondContact O-CB 3.32Å; H273-S277 PolarHBondContact O-N 3.41Å; H273-S277 PolarHBondContact O-OG 2.77Å |
| 274 | R | 69.4 | Low | 69.4 | Low | 76 Ų | 76 | 36.2 Ų | 36.2 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 177.6 | -78.3 | -179.2 | 171.9 | -127.7 | 0.7 | 112.6 | V270 M271 E272 V276 S277 N278 D285 | V270-R274 WeakPolarHBondContact O-CG 3.37Å; V270-R274 PolarHBondContact O-N 2.84Å; M271-R274 WeakPolarHBondContact O-CB 3.2Å; M271-R274 PolarHBondContact O-N 2.85Å; M271-R274 VanDerWaalsContact O-N 3.1Å; E272-R274 PolarHBondContact O-N 2.68Å; R274-V276 VanDerWaalsContact C-N 3.34Å; R274-S277 PolarHBondContact O-OG 3.23Å; R274-N278 WeakPolarHBondContact O-CB 3.23Å; R274-N278 PolarHBondContact O-N 2.72Å; R274-N278 PolarHBondContact O-ND2 3.02Å; R274-D285 IonicContact NH1-OD1 3.64Å; R274-D285 IonicContact NH1-OD2 2.72Å; R274-D285 PolarHBondContact NH1-OD2 2.82Å |
| 275 | V | 69 | Low | 69.3 | Low | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.4 | -40.4 | 178.3 | 167.6 | 0 | 0 | 0 | 0 | 110.8 | M271 E272 H273 G280 P281 Q284 | M271-V275 HydrophobicContact CG-CG2 4.35Å; M271-V275 WeakPolarHBondContact O-CB 3.45Å; M271-V275 VanDerWaalsContact O-CG2 3.3Å; M271-V275 WeakPolarHBondContact O-CG2 3.31Å; M271-V275 PolarHBondContact O-N 3.38Å; E272-V275 PolarHBondContact O-N 3.27Å; H273-V275 PolarHBondContact O-N 3.29Å; V275-G280 CarbonylContact O-C 3.56Å; V275-G280 WeakPolarHBondContact O-CA 3.33Å; V275-G280 PolarHBondContact O-N 3.27Å; V275-G280 VanDerWaalsContact O-N 3.15Å; V275-P281 HydrophobicContact CG1-CB 3.82Å; V275-Q284 HydrophobicContact CG2-CG 3.72Å |
| 276 | V | 65.3 | Low | 69.2 | Low | 61 Ų | 61 | 38.6 Ų | 38.6 | 37% | 0.37 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.6 | -56.2 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | E272 H273 R274 N278 G279 G280 F367 | E272-V276 HydrophobicContact CG-CG2 4.27Å; E272-V276 WeakPolarHBondContact O-CG2 3.23Å; E272-V276 PolarHBondContact O-N 2.79Å; H273-V276 PolarHBondContact O-N 3.45Å; R274-V276 VanDerWaalsContact C-N 3.34Å; V276-N278 VanDerWaalsContact C-N 3.3Å; V276-N278 PolarHBondContact O-N 3.31Å; V276-G279 PolarHBondContact O-N 3.04Å; V276-G279 VanDerWaalsContact O-N 3.16Å; V276-G280 PolarHBondContact O-N 3.45Å; V276-F367 HydrophobicContact CB-CD1 4.4Å; V276-F367 HydrophobicContact CB-CE1 4.14Å; V276-F367 HydrophobicContact CB-CZ 4.29Å; V276-F367 HydrophobicContact CG1-CE2 4.33Å; V276-F367 HydrophobicContact CG1-CZ 4.35Å; V276-F367 HydrophobicContact CG2-CB 4.27Å; V276-F367 HydrophobicContact CG2-CD1 3.06Å; V276-F367 HydrophobicContact CG2-CD2 3.99Å; V276-F367 HydrophobicContact CG2-CE1 3.13Å; V276-F367 HydrophobicContact CG2-CE2 4.06Å; V276-F367 HydrophobicContact CG2-CG 3.5Å; V276-F367 VanDerWaalsContact CG2-CG 3.5Å; V276-F367 HydrophobicContact CG2-CZ 3.65Å |
| 277 | S | 63 | Low | 69.2 | Low | 63 Ų | 63 | 38.9 Ų | 38.9 | 44% | 0.441 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67.4 | -30.9 | -167.7 | 68.2 | 0 | 0 | 0 | 0 | 112.5 | H273 R274 G279 | H273-S277 WeakPolarHBondContact O-CB 3.32Å; H273-S277 PolarHBondContact O-N 3.41Å; H273-S277 PolarHBondContact O-OG 2.77Å; R274-S277 PolarHBondContact O-OG 3.23Å; S277-G279 PolarHBondContact O-N 2.69Å; S277-G279 VanDerWaalsContact O-N 3.12Å |
| 278 | N | 60.4 | Low | 69.3 | Low | 62 Ų | 62 | 38.8 Ų | 38.8 | 33% | 0.332 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 7.9 | 179.8 | -66.8 | -9.1 | 0 | 0 | 0 | 113 | R274 V276 K283 | R274-N278 WeakPolarHBondContact O-CB 3.23Å; R274-N278 PolarHBondContact O-N 2.72Å; R274-N278 PolarHBondContact O-ND2 3.02Å; V276-N278 VanDerWaalsContact C-N 3.3Å; V276-N278 PolarHBondContact O-N 3.31Å; N278-K283 HydrophobicContact CB-CB 3.85Å; N278-K283 HydrophobicContact CB-CD 4.47Å; N278-K283 WeakPolarHBondContact O-CD 3.39Å; N278-K283 WeakPolarHBondContact O-CE 3.42Å; N278-K283 PolarHBondContact O-NZ 2.63Å |
| 279 | G | 54.3 | Low | 69.4 | Low | 67 Ų | 67 | 38.6 Ų | 38.6 | 69% | 0.691 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | 30.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | V276 S277 | V276-G279 PolarHBondContact O-N 3.04Å; V276-G279 VanDerWaalsContact O-N 3.16Å; S277-G279 PolarHBondContact O-N 2.69Å; S277-G279 VanDerWaalsContact O-N 3.12Å |
| 280 | G | 54.9 | Low | 69.5 | Low | 15 Ų | 15 | 36.6 Ų | 36.6 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 102.5 | 175.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V275 V276 G282 K283 | V275-G280 CarbonylContact O-C 3.56Å; V275-G280 WeakPolarHBondContact O-CA 3.33Å; V275-G280 PolarHBondContact O-N 3.27Å; V275-G280 VanDerWaalsContact O-N 3.15Å; V276-G280 PolarHBondContact O-N 3.45Å; G280-G282 PolarHBondContact O-N 2.71Å; G280-K283 PolarHBondContact O-N 2.66Å |
| 281 | P | 50.3 | Low | 69.8 | Low | 39 Ų | 39 | 34.5 Ų | 34.5 | 25% | 0.253 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -66.1 | -11.4 | -169.3 | 31.7 | -38.3 | 0 | 0 | 0 | 113.5 | V275 K283 P311 | V275-P281 HydrophobicContact CG1-CB 3.82Å; P281-K283 PolarHBondContact O-N 3.25Å; P281-K283 VanDerWaalsContact O-N 3.13Å; P281-P311 VanDerWaalsContact C-CB 3.4Å; P281-P311 VanDerWaalsContact C-CG 3.47Å; P281-P311 HydrophobicContact CB-CB 4.33Å; P281-P311 HydrophobicContact CB-CG 3.38Å; P281-P311 HydrophobicContact CG-CG 3.76Å; P281-P311 WeakPolarHBondContact O-CB 3.02Å; P281-P311 WeakPolarHBondContact O-CG 2.78Å |
| 282 | G | 55.6 | Low | 70.3 | Confident | 40 Ų | 40 | 34.5 Ų | 34.5 | 41% | 0.412 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -69.3 | 8.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117 | G280 H315 | G280-G282 PolarHBondContact O-N 2.71Å; G282-H315 PolarHBondContact O-CE1 3.38Å; G282-H315 PolarHBondContact O-NE2 3.38Å; G282-H315 VanDerWaalsContact O-NE2 3.12Å |
| 283 | K | 62.9 | Low | 70.7 | Confident | 129 Ų | 129 | 34.2 Ų | 34.2 | 56% | 0.561 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -135.8 | 35.6 | 174.4 | -60.4 | -162.2 | -155.8 | 145.5 | 0 | 113.1 | N278 G280 P281 D285 | N278-K283 HydrophobicContact CB-CB 3.85Å; N278-K283 HydrophobicContact CB-CD 4.47Å; N278-K283 WeakPolarHBondContact O-CD 3.39Å; N278-K283 WeakPolarHBondContact O-CE 3.42Å; N278-K283 PolarHBondContact O-NZ 2.63Å; G280-K283 PolarHBondContact O-N 2.66Å; P281-K283 PolarHBondContact O-N 3.25Å; P281-K283 VanDerWaalsContact O-N 3.13Å; K283-D285 PolarHBondContact O-N 3.43Å |
| 284 | Q | 72 | Confident | 71.1 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | trans | -66.6 | 122.5 | 171.5 | -73.5 | -179.8 | 11.9 | 0 | 0 | 109.4 | V275 A288 W289 Q292 | V275-Q284 HydrophobicContact CG2-CG 3.72Å; Q284-A288 HydrophobicContact CB-CB 4.14Å; Q284-A288 HydrophobicContact CG-CB 4.23Å; Q284-W289 VanDerWaalsContact CB-NE1 3.32Å; Q284-W289 VanDerWaalsContact OE1-CD1 3.28Å; Q284-Q292 VanDerWaalsContact CD-NE2 3.27Å | ||
| 285 | D | 78.2 | Confident | 71.9 | Confident | 37 Ų | 37 | 28 Ų | 28 | 20% | 0.198 | 18% | 0.183 | C | C | . | . | trans | -81.1 | 167.3 | 170.4 | 58.9 | 10.2 | 0 | 0 | 0 | 110.4 | R274 K283 L287 A288 W289 A325 | R274-D285 IonicContact NH1-OD1 3.64Å; R274-D285 IonicContact NH1-OD2 2.72Å; R274-D285 PolarHBondContact NH1-OD2 2.82Å; K283-D285 PolarHBondContact O-N 3.43Å; D285-L287 PolarHBondContact O-N 3.19Å; D285-L287 WeakPolarHBondContact OD1-CB 3.46Å; D285-A288 WeakPolarHBondContact O-CB 3.45Å; D285-A288 PolarHBondContact O-N 2.61Å; D285-A288 WeakPolarHBondContact OD1-CB 3.22Å; D285-A288 PolarHBondContact OD1-N 3.26Å; D285-W289 PolarHBondContact O-N 3.39Å; D285-A325 HydrophobicContact CB-CB 4Å | ||
| 286 | T | 79.2 | Confident | 72.8 | Confident | 17 Ų | 17 | 28.6 Ų | 28.6 | 10% | 0.104 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.9 | -28.8 | 177.9 | -48.5 | 0 | 0 | 0 | 0 | 112.2 | W289 L290 F340 A341 V344 | T286-W289 PolarHBondContact O-N 3.47Å; T286-L290 WeakPolarHBondContact O-CG 2.83Å; T286-L290 PolarHBondContact O-N 3.45Å; T286-F340 HydrophobicContact CG2-CD1 3.82Å; T286-F340 HydrophobicContact CG2-CE1 3.61Å; T286-A341 HydrophobicContact CG2-CB 4.06Å; T286-V344 HydrophobicContact CG2-CB 4.44Å; T286-V344 HydrophobicContact CG2-CG2 4.34Å |
| 287 | L | 76 | Confident | 73.5 | Confident | 18 Ų | 18 | 26.3 Ų | 26.3 | 9% | 0.094 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.8 | -47.9 | 175.6 | 176.8 | 67.4 | 0 | 0 | 0 | 112.5 | D285 W289 L290 M291 L417 V421 | D285-L287 PolarHBondContact O-N 3.19Å; D285-L287 WeakPolarHBondContact OD1-CB 3.46Å; L287-W289 PolarHBondContact O-N 3.39Å; L287-L290 WeakPolarHBondContact O-CA 3.42Å; L287-L290 WeakPolarHBondContact O-CB 3.43Å; L287-L290 PolarHBondContact O-N 3.01Å; L287-M291 HydrophobicContact CD1-CE 3.99Å; L287-M291 HydrophobicContact CD2-CE 3.63Å; L287-M291 HydrophobicContact CG-CE 3.7Å; L287-M291 HydrophobicContact CG-SD 4.46Å; L287-M291 WeakPolarHBondContact O-CG 3.49Å; L287-M291 PolarHBondContact O-N 3.26Å; L287-L417 HydrophobicContact CB-CD2 4.31Å; L287-L417 HydrophobicContact CD1-CD1 3.69Å; L287-L417 HydrophobicContact CD1-CD2 3.38Å; L287-L417 HydrophobicContact CD1-CG 3.48Å; L287-L417 VanDerWaalsContact CD1-CG 3.48Å; L287-L417 HydrophobicContact CD2-CD1 3.54Å; L287-L417 HydrophobicContact CD2-CD2 3.07Å; L287-L417 HydrophobicContact CD2-CG 3.75Å; L287-L417 HydrophobicContact CG-CD1 4.05Å; L287-L417 HydrophobicContact CG-CD2 3.61Å; L287-L417 HydrophobicContact CG-CG 4.09Å; L287-V421 HydrophobicContact CD1-CG2 4.09Å |
| 288 | A | 81.9 | Confident | 74.2 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.1 | -40.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | M271 Q284 D285 M291 Q292 | M271-A288 HydrophobicContact CG-CB 4.34Å; Q284-A288 HydrophobicContact CB-CB 4.14Å; Q284-A288 HydrophobicContact CG-CB 4.23Å; D285-A288 WeakPolarHBondContact O-CB 3.45Å; D285-A288 PolarHBondContact O-N 2.61Å; D285-A288 WeakPolarHBondContact OD1-CB 3.22Å; D285-A288 PolarHBondContact OD1-N 3.26Å; A288-M291 PolarHBondContact O-N 2.99Å; A288-Q292 WeakPolarHBondContact O-CG 3.14Å; A288-Q292 PolarHBondContact O-N 3.44Å |
| 289 | W | 85.5 | Confident | 75.2 | Confident | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.9 | -38.8 | 174.3 | -58 | -22.1 | 0 | 0 | 0 | 113 | Q284 D285 T286 L287 M291 Q292 L293 L312 H315 Y322 A341 V344 A345 L348 | Q284-W289 VanDerWaalsContact CB-NE1 3.32Å; Q284-W289 VanDerWaalsContact OE1-CD1 3.28Å; D285-W289 PolarHBondContact O-N 3.39Å; T286-W289 PolarHBondContact O-N 3.47Å; L287-W289 PolarHBondContact O-N 3.39Å; W289-M291 VanDerWaalsContact C-N 3.34Å; W289-Q292 PolarHBondContact O-N 2.72Å; W289-L293 VanDerWaalsContact O-CB 3.29Å; W289-L293 WeakPolarHBondContact O-CB 3.39Å; W289-L293 PolarHBondContact O-N 3.08Å; W289-L312 HydrophobicContact CD2-CD1 4.09Å; W289-L312 HydrophobicContact CG-CD1 4.45Å; W289-L312 HydrophobicContact CZ2-CD1 3.99Å; W289-H315 HydrophobicContact CH2-CB 4.41Å; W289-H315 HydrophobicContact CZ2-CB 4.26Å; W289-Y322 AromaticContact CH2-CD1 3.57Å; W289-Y322 HydrophobicContact CH2-CD1 3.57Å; W289-Y322 HydrophobicContact CH2-CE1 4.25Å; W289-Y322 HydrophobicContact CH2-CG 4.33Å; W289-Y322 HydrophobicContact CZ2-CD1 4.37Å; W289-Y322 AromaticContact CZ3-CD1 3.93Å; W289-Y322 HydrophobicContact CZ3-CD1 3.93Å; W289-Y322 HydrophobicContact CZ3-CG 4.27Å; W289-A341 HydrophobicContact CZ3-CB 4.22Å; W289-V344 HydrophobicContact CB-CG1 3.65Å; W289-A345 HydrophobicContact CE3-CB 4.2Å; W289-A345 HydrophobicContact CZ3-CB 4.26Å; W289-L348 HydrophobicContact CB-CD2 3.96Å; W289-L348 HydrophobicContact CG-CD2 4.15Å |
| 290 | L | 80.6 | Confident | 76.7 | Confident | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 173.7 | -77.6 | 168.5 | 0 | 0 | 0 | 112.4 | M200 T286 L287 S294 F340 V344 | M200-L290 HydrophobicContact CE-CD1 3.42Å; M200-L290 VanDerWaalsContact CE-CD1 3.42Å; T286-L290 WeakPolarHBondContact O-CG 2.83Å; T286-L290 PolarHBondContact O-N 3.45Å; L287-L290 WeakPolarHBondContact O-CA 3.42Å; L287-L290 WeakPolarHBondContact O-CB 3.43Å; L287-L290 PolarHBondContact O-N 3.01Å; L290-S294 VanDerWaalsContact O-CB 3.24Å; L290-S294 WeakPolarHBondContact O-CB 3.47Å; L290-S294 PolarHBondContact O-N 3.47Å; L290-S294 PolarHBondContact O-OG 3.4Å; L290-F340 HydrophobicContact CD1-CE1 4.03Å; L290-F340 HydrophobicContact CD1-CZ 3.94Å; L290-F340 HydrophobicContact CD2-CZ 4.09Å; L290-F340 HydrophobicContact CG-CZ 4.43Å; L290-V344 HydrophobicContact CD2-CB 4.41Å; L290-V344 HydrophobicContact CD2-CG1 3.91Å; L290-V344 HydrophobicContact CD2-CG2 3.53Å; L290-V344 HydrophobicContact CG-CG1 3.94Å; L290-V344 HydrophobicContact CG-CG2 4.02Å |
| 291 | M | 80.8 | Confident | 78.3 | Confident | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.015 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.3 | -46.2 | 174.7 | -66.2 | 176.8 | 179 | 0 | 0 | 110.6 | L267 V270 M271 L287 A288 W289 S294 C295 F303 L417 | L267-M291 HydrophobicContact CD2-CE 3.83Å; L267-M291 HydrophobicContact CD2-CG 3.97Å; L267-M291 HydrophobicContact CD2-SD 3.93Å; V270-M291 HydrophobicContact CG1-CE 4.23Å; M271-M291 HydrophobicContact CB-SD 4.01Å; M271-M291 HydrophobicContact SD-CB 4.35Å; L287-M291 HydrophobicContact CD1-CE 3.99Å; L287-M291 HydrophobicContact CD2-CE 3.63Å; L287-M291 HydrophobicContact CG-CE 3.7Å; L287-M291 HydrophobicContact CG-SD 4.46Å; L287-M291 WeakPolarHBondContact O-CG 3.49Å; L287-M291 PolarHBondContact O-N 3.26Å; A288-M291 PolarHBondContact O-N 2.99Å; W289-M291 VanDerWaalsContact C-N 3.34Å; M291-S294 PolarHBondContact O-N 2.96Å; M291-C295 PolarHBondContact O-N 2.81Å; M291-F303 HydrophobicContact CB-CE1 4.34Å; M291-L417 HydrophobicContact CE-CD1 3.64Å |
| 292 | Q | 87.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.8 | -53.9 | 174 | -71.1 | -180 | 46.4 | 0 | 0 | 111.6 | M271 Q284 A288 W289 S294 S296 F303 W308 L348 Y352 | M271-Q292 HydrophobicContact CE-CG 4.36Å; M271-Q292 HydrophobicContact SD-CB 4.42Å; M271-Q292 HydrophobicContact SD-CG 3.26Å; M271-Q292 WeakPolarHBondContact SD-CG 3.2Å; Q284-Q292 VanDerWaalsContact CD-NE2 3.27Å; A288-Q292 WeakPolarHBondContact O-CG 3.14Å; A288-Q292 PolarHBondContact O-N 3.44Å; W289-Q292 PolarHBondContact O-N 2.72Å; Q292-S294 PolarHBondContact O-N 3.16Å; Q292-S296 WeakPolarHBondContact O-CB 3.36Å; Q292-S296 PolarHBondContact O-N 3.43Å; Q292-S296 PolarHBondContact O-OG 3.45Å; Q292-F303 HydrophobicContact CG-CD1 4.42Å; Q292-F303 WeakPolarHBondContact CG-O 2.99Å; Q292-W308 HydrophobicContact CG-CE3 4.31Å; Q292-W308 HydrophobicContact CG-CZ3 4.47Å; Q292-L348 HydrophobicContact CB-CD1 3.67Å; Q292-L348 HydrophobicContact CB-CD2 3.97Å; Q292-Y352 PolarHBondContact OE1-OH 3Å |
| 293 | L | 86.6 | Confident | 81.9 | Confident | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.4 | -50.3 | -179.7 | 176.6 | 60.5 | 0 | 0 | 0 | 111.1 | F40 W289 C295 S296 H297 V344 A347 | F40-L293 HydrophobicContact CE1-CD1 4.29Å; W289-L293 VanDerWaalsContact O-CB 3.29Å; W289-L293 WeakPolarHBondContact O-CB 3.39Å; W289-L293 PolarHBondContact O-N 3.08Å; L293-C295 PolarHBondContact O-N 3.32Å; L293-S296 PolarHBondContact O-OG 3.49Å; L293-H297 WeakPolarHBondContact O-CB 3.42Å; L293-H297 PolarHBondContact O-N 3.41Å; L293-V344 HydrophobicContact CD2-CG1 4.42Å; L293-A347 HydrophobicContact CD1-CB 3.72Å; L293-A347 HydrophobicContact CD2-CB 3.7Å; L293-A347 HydrophobicContact CG-CB 4.37Å |
| 294 | S | 80.4 | Confident | 83.3 | Confident | 14 Ų | 14 | 12 Ų | 12 | 10% | 0.098 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | -175 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | L290 M291 Q292 A298 | L290-S294 VanDerWaalsContact O-CB 3.24Å; L290-S294 WeakPolarHBondContact O-CB 3.47Å; L290-S294 PolarHBondContact O-N 3.47Å; L290-S294 PolarHBondContact O-OG 3.4Å; M291-S294 PolarHBondContact O-N 2.96Å; Q292-S294 PolarHBondContact O-N 3.16Å; S294-A298 WeakPolarHBondContact O-CB 3.27Å; S294-A298 PolarHBondContact O-N 2.66Å |
| 295 | C | 85.5 | Confident | 84.1 | Confident | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.007 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -83.3 | -31.3 | -175.7 | -75.2 | 0 | 0 | 0 | 0 | 113.4 | C264 M291 L293 A298 S299 F300 F303 | C264-C295 WeakPolarHBondContact CA-SG 3.42Å; C264-C295 HydrophobicContact CB-CB 3.85Å; C264-C295 WeakPolarHBondContact CB-SG 3.44Å; C264-C295 VanDerWaalsContact SG-CA 3.58Å; C264-C295 WeakPolarHBondContact SG-CB 3.26Å; C264-C295 CovalentContact SG-SG 2.06Å; C264-C295 PolarHBondContact SG-SG 3.33Å; M291-C295 PolarHBondContact O-N 2.81Å; L293-C295 PolarHBondContact O-N 3.32Å; C295-A298 CarbonylContact O-C 3.53Å; C295-A298 VanDerWaalsContact O-C 3.27Å; C295-A298 WeakPolarHBondContact O-CA 3.47Å; C295-A298 WeakPolarHBondContact O-CB 3.47Å; C295-A298 PolarHBondContact O-N 2.99Å; C295-A298 VanDerWaalsContact O-N 3.11Å; C295-S299 PolarHBondContact O-N 3.21Å; C295-F300 HydrophobicContact CB-CB 4.44Å; C295-F300 HydrophobicContact CB-CD2 4.38Å; C295-F300 WeakPolarHBondContact O-CB 3.45Å; C295-F300 WeakPolarHBondContact O-CD2 3.28Å; C295-F300 PolarHBondContact O-N 2.84Å; C295-F303 HydrophobicContact CB-CB 4.38Å; C295-F303 HydrophobicContact CB-CD1 3.84Å; C295-F303 HydrophobicContact CB-CD2 3.29Å; C295-F303 HydrophobicContact CB-CE1 3.76Å; C295-F303 HydrophobicContact CB-CE2 3.2Å; C295-F303 HydrophobicContact CB-CG 3.57Å; C295-F303 HydrophobicContact CB-CZ 3.41Å; C295-F303 VanDerWaalsContact CB-CZ 3.41Å |
| 296 | S | 87 | Confident | 84.7 | Confident | 13 Ų | 13 | 11.3 Ų | 11.3 | 9% | 0.091 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.1 | -43 | 170.8 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | Q292 L293 A298 S299 L304 | Q292-S296 WeakPolarHBondContact O-CB 3.36Å; Q292-S296 PolarHBondContact O-N 3.43Å; Q292-S296 PolarHBondContact O-OG 3.45Å; L293-S296 PolarHBondContact O-OG 3.49Å; S296-A298 PolarHBondContact O-N 3.24Å; S296-S299 VanDerWaalsContact O-CA 3.32Å; S296-S299 WeakPolarHBondContact O-CA 3.27Å; S296-S299 PolarHBondContact O-N 2.96Å; S296-L304 VanDerWaalsContact CB-CG 3.42Å |
| 297 | H | 80.2 | Confident | 85 | Confident | 12 Ų | 12 | 12.6 Ų | 12.6 | 6% | 0.056 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.5 | -34.9 | 170.8 | -172.1 | -34 | 0 | 0 | 0 | 110.5 | F40 Y105 L293 S299 F428 | F40-H297 AromaticContact CD2-CD2 3.98Å; F40-H297 AromaticContact CD2-NE2 3.84Å; F40-H297 AromaticContact CE2-CD2 3.2Å; F40-H297 WeakPolarHBondContact CE2-CD2 2.9Å; F40-H297 AromaticContact CE2-NE2 3.28Å; F40-H297 VanDerWaalsContact CE2-NE2 3.28Å; F40-H297 WeakPolarHBondContact CE2-NE2 3.12Å; F40-H297 AromaticContact CZ-CD2 3.7Å; Y105-H297 AromaticContact CD1-CE1 2.95Å; Y105-H297 WeakPolarHBondContact CD1-CE1 3.39Å; Y105-H297 AromaticContact CD1-ND1 3.15Å; Y105-H297 WeakPolarHBondContact CD1-ND1 3.06Å; Y105-H297 AromaticContact CE1-CE1 3.48Å; Y105-H297 VanDerWaalsContact CE1-CE1 3.48Å; Y105-H297 WeakPolarHBondContact CE1-CE1 3.41Å; Y105-H297 AromaticContact CE1-ND1 3.32Å; Y105-H297 VanDerWaalsContact CE1-ND1 3.32Å; Y105-H297 WeakPolarHBondContact CE1-ND1 3.49Å; Y105-H297 VanDerWaalsContact CE1-O 3.27Å; Y105-H297 WeakPolarHBondContact CE1-O 3.11Å; Y105-H297 AromaticContact CG-CE1 3.62Å; L293-H297 WeakPolarHBondContact O-CB 3.42Å; L293-H297 PolarHBondContact O-N 3.41Å; H297-S299 PolarHBondContact O-N 3.47Å; H297-S299 VanDerWaalsContact O-N 3.12Å; H297-F428 AromaticContact CE1-CZ 3.31Å; H297-F428 WeakPolarHBondContact CE1-CZ 3.31Å; H297-F428 AromaticContact ND1-CE2 3.79Å; H297-F428 AromaticContact ND1-CZ 3.39Å; H297-F428 WeakPolarHBondContact ND1-CZ 3.49Å; H297-F428 AromaticContact NE2-CZ 3.99Å |
| 298 | A | 77.6 | Confident | 85.6 | Confident | 4 Ų | 4 | 11.9 Ų | 11.9 | 3% | 0.033 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 13.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R260 S294 C295 S296 F300 F428 | R260-A298 PolarHBondContact NH1-O 2.93Å; S294-A298 WeakPolarHBondContact O-CB 3.27Å; S294-A298 PolarHBondContact O-N 2.66Å; C295-A298 CarbonylContact O-C 3.53Å; C295-A298 VanDerWaalsContact O-C 3.27Å; C295-A298 WeakPolarHBondContact O-CA 3.47Å; C295-A298 WeakPolarHBondContact O-CB 3.47Å; C295-A298 PolarHBondContact O-N 2.99Å; C295-A298 VanDerWaalsContact O-N 3.11Å; S296-A298 PolarHBondContact O-N 3.24Å; A298-F300 HydrophobicContact CB-CD2 4.01Å; A298-F300 HydrophobicContact CB-CE2 4.08Å; A298-F300 WeakPolarHBondContact O-CD2 3.47Å; A298-F300 WeakPolarHBondContact O-CE2 3.36Å; A298-F428 HydrophobicContact CB-CD2 4.35Å; A298-F428 HydrophobicContact CB-CE2 4.43Å |
| 299 | S | 82.3 | Confident | 86.1 | Confident | 6 Ų | 6 | 11.8 Ų | 11.8 | 4% | 0.042 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 8.9 | 175.1 | -14.9 | 0 | 0 | 0 | 0 | 117.1 | P107 N108 R109 R110 C295 S296 H297 K301 | P107-S299 WeakPolarHBondContact CB-OG 3.49Å; P107-S299 WeakPolarHBondContact CG-OG 3.15Å; N108-S299 WeakPolarHBondContact O-CB 3.38Å; N108-S299 PolarHBondContact O-OG 3.47Å; R109-S299 CarbonylContact C-O 3.43Å; R110-S299 PolarHBondContact N-O 3.12Å; C295-S299 PolarHBondContact O-N 3.21Å; S296-S299 VanDerWaalsContact O-CA 3.32Å; S296-S299 WeakPolarHBondContact O-CA 3.27Å; S296-S299 PolarHBondContact O-N 2.96Å; H297-S299 PolarHBondContact O-N 3.47Å; H297-S299 VanDerWaalsContact O-N 3.12Å; S299-K301 PolarHBondContact O-N 3.48Å |
| 300 | F | 86.5 | Confident | 86.3 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -81 | 105.9 | 177.2 | -65.2 | -88.4 | 0 | 0 | 0 | 109.6 | R110 I112 R260 L261 C264 C295 A298 E302 F303 | R110-F300 HydrophobicContact CB-CD1 4.1Å; R110-F300 HydrophobicContact CB-CE1 4.04Å; R110-F300 HydrophobicContact CB-CZ 4.43Å; R110-F300 WeakPolarHBondContact O-CA 3.22Å; I112-F300 HydrophobicContact CG1-CB 4.45Å; I112-F300 HydrophobicContact CG1-CD1 3.82Å; I112-F300 HydrophobicContact CG1-CG 4.49Å; R260-F300 HydrophobicContact CG-CE2 3.89Å; R260-F300 HydrophobicContact CG-CZ 4.22Å; L261-F300 HydrophobicContact CB-CZ 4.48Å; L261-F300 HydrophobicContact CD1-CE1 3.7Å; L261-F300 HydrophobicContact CD1-CZ 4.23Å; C264-F300 HydrophobicContact CB-CD1 4.19Å; C264-F300 HydrophobicContact CB-CD2 3.53Å; C264-F300 HydrophobicContact CB-CE1 4.19Å; C264-F300 HydrophobicContact CB-CE2 3.56Å; C264-F300 HydrophobicContact CB-CG 3.87Å; C264-F300 HydrophobicContact CB-CZ 3.9Å; C295-F300 HydrophobicContact CB-CB 4.44Å; C295-F300 HydrophobicContact CB-CD2 4.38Å; C295-F300 WeakPolarHBondContact O-CB 3.45Å; C295-F300 WeakPolarHBondContact O-CD2 3.28Å; C295-F300 PolarHBondContact O-N 2.84Å; A298-F300 HydrophobicContact CB-CD2 4.01Å; A298-F300 HydrophobicContact CB-CE2 4.08Å; A298-F300 WeakPolarHBondContact O-CD2 3.47Å; A298-F300 WeakPolarHBondContact O-CE2 3.36Å; F300-E302 PolarHBondContact O-N 3.38Å; F300-F303 HydrophobicContact CB-CD2 3.69Å; F300-F303 HydrophobicContact CB-CE2 4.15Å; F300-F303 PolarHBondContact O-N 3.37Å |
| 301 | K | 88.6 | Confident | 86.6 | Confident | 72 Ų | 72 | 14.4 Ų | 14.4 | 31% | 0.313 | 8% | 0.081 | S | C | . | . | G | 310 helix | trans | -66.5 | -27.3 | -172.9 | 66 | -179.9 | -176.7 | 173.4 | 0 | 112.9 | R110 S111 S299 F303 L304 | R110-K301 PolarHBondContact O-N 3.12Å; S111-K301 VanDerWaalsContact OG-CE 3.24Å; S111-K301 WeakPolarHBondContact OG-CE 3.37Å; S299-K301 PolarHBondContact O-N 3.48Å; K301-F303 PolarHBondContact O-N 3.25Å; K301-F303 VanDerWaalsContact O-N 3.16Å; K301-L304 PolarHBondContact O-N 3.17Å |
| 302 | E | 89.6 | Confident | 87.2 | Confident | 22 Ų | 22 | 14.2 Ų | 14.2 | 10% | 0.103 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -63.7 | -20 | 179.6 | -60.7 | 83.2 | 174.4 | 0 | 0 | 112.3 | S111 I112 F268 F300 L304 R305 W308 D362 | S111-E302 WeakPolarHBondContact CA-OE1 3.39Å; S111-E302 WeakPolarHBondContact CB-OE1 3.07Å; S111-E302 PolarHBondContact OG-OE1 3.07Å; I112-E302 HydrophobicContact CB-CG 4.4Å; I112-E302 HydrophobicContact CD1-CB 3.62Å; I112-E302 HydrophobicContact CD1-CG 4.02Å; I112-E302 HydrophobicContact CG1-CB 4.28Å; I112-E302 HydrophobicContact CG1-CG 4.27Å; I112-E302 VanDerWaalsContact N-CD 3.35Å; I112-E302 PolarHBondContact N-OE1 2.85Å; I112-E302 PolarHBondContact N-OE2 2.96Å; F268-E302 HydrophobicContact CD2-CB 3.97Å; F268-E302 HydrophobicContact CE2-CB 3.48Å; F268-E302 VanDerWaalsContact CE2-CB 3.48Å; F268-E302 WeakPolarHBondContact CE2-O 3.47Å; F268-E302 HydrophobicContact CZ-CB 3.92Å; F300-E302 PolarHBondContact O-N 3.38Å; E302-L304 PolarHBondContact O-N 3.18Å; E302-R305 WeakPolarHBondContact O-CG 3.39Å; E302-W308 WeakPolarHBondContact O-CZ3 2.91Å; E302-D362 WeakPolarHBondContact CA-OD2 3.35Å |
| 303 | F | 91 | Very high | 87.4 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -77 | -6.5 | 173.5 | -78 | -91.5 | 0 | 0 | 0 | 114 | I112 C264 L267 F268 M271 M291 Q292 C295 F300 K301 | I112-F303 HydrophobicContact CD1-CD2 4.2Å; I112-F303 HydrophobicContact CD1-CE2 3.83Å; I112-F303 HydrophobicContact CG1-CE2 4.49Å; C264-F303 HydrophobicContact CB-CE2 4.08Å; C264-F303 HydrophobicContact CB-CZ 4.5Å; C264-F303 VanDerWaalsContact O-CE2 3.27Å; C264-F303 WeakPolarHBondContact O-CE2 3.36Å; C264-F303 WeakPolarHBondContact O-CZ 3.39Å; L267-F303 HydrophobicContact CB-CE1 4.2Å; L267-F303 HydrophobicContact CB-CZ 3.8Å; F268-F303 VanDerWaalsContact CA-CZ 3.47Å; F268-F303 HydrophobicContact CB-CE1 4.27Å; F268-F303 HydrophobicContact CB-CE2 3.7Å; F268-F303 HydrophobicContact CB-CZ 3.55Å; F268-F303 HydrophobicContact CD2-CD2 4.34Å; F268-F303 HydrophobicContact CD2-CE2 4.24Å; F268-F303 HydrophobicContact CD2-CZ 4.43Å; F268-F303 HydrophobicContact CG-CE2 4.44Å; F268-F303 VanDerWaalsContact N-CZ 3.3Å; M271-F303 HydrophobicContact CE-CD1 3.3Å; M271-F303 HydrophobicContact CE-CE1 3.48Å; M271-F303 VanDerWaalsContact CE-CE1 3.48Å; M271-F303 HydrophobicContact CE-CG 4.19Å; M271-F303 HydrophobicContact CE-CZ 4.45Å; M271-F303 HydrophobicContact SD-CD1 3.68Å; M271-F303 HydrophobicContact SD-CE1 3.9Å; M291-F303 HydrophobicContact CB-CE1 4.34Å; Q292-F303 HydrophobicContact CG-CD1 4.42Å; Q292-F303 WeakPolarHBondContact CG-O 2.99Å; C295-F303 HydrophobicContact CB-CB 4.38Å; C295-F303 HydrophobicContact CB-CD1 3.84Å; C295-F303 HydrophobicContact CB-CD2 3.29Å; C295-F303 HydrophobicContact CB-CE1 3.76Å; C295-F303 HydrophobicContact CB-CE2 3.2Å; C295-F303 HydrophobicContact CB-CG 3.57Å; C295-F303 HydrophobicContact CB-CZ 3.41Å; C295-F303 VanDerWaalsContact CB-CZ 3.41Å; F300-F303 HydrophobicContact CB-CD2 3.69Å; F300-F303 HydrophobicContact CB-CE2 4.15Å; F300-F303 PolarHBondContact O-N 3.37Å; K301-F303 PolarHBondContact O-N 3.25Å; K301-F303 VanDerWaalsContact O-N 3.16Å |
| 304 | L | 91.3 | Very high | 87.6 | Confident | 10 Ų | 10 | 21.7 Ų | 21.7 | 5% | 0.052 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -118.8 | 51.1 | 176.6 | -60 | 177.4 | 0 | 0 | 0 | 110.5 | S296 K301 E302 L348 C351 Y352 C355 D362 | S296-L304 VanDerWaalsContact CB-CG 3.42Å; K301-L304 PolarHBondContact O-N 3.17Å; E302-L304 PolarHBondContact O-N 3.18Å; L304-L348 HydrophobicContact CD2-CD1 3.86Å; L304-C351 HydrophobicContact CD1-CB 4.05Å; L304-C351 HydrophobicContact CD2-CB 3.81Å; L304-Y352 HydrophobicContact CB-CD1 4.36Å; L304-Y352 HydrophobicContact CB-CE1 4Å; L304-Y352 HydrophobicContact CD2-CD1 4.29Å; L304-Y352 HydrophobicContact CD2-CD2 4.12Å; L304-Y352 HydrophobicContact CD2-CE1 4.14Å; L304-Y352 HydrophobicContact CD2-CE2 3.95Å; L304-Y352 HydrophobicContact CD2-CG 4.28Å; L304-C355 HydrophobicContact CB-CB 4.5Å; L304-C355 HydrophobicContact CD1-CB 3.76Å; L304-D362 PolarHBondContact O-N 3.23Å |
| 305 | R | 90.4 | Very high | 88.1 | Confident | 11 Ų | 11 | 23.9 Ų | 23.9 | 4% | 0.042 | 13% | 0.128 | C | C | . | . | B | Isolated β-bridge | trans | -65.8 | 132.4 | 173.2 | -82.8 | 173.2 | 172.5 | 179.2 | -8.5 | 110.9 | F268 E272 E302 S307 W308 Y352 D362 G366 | F268-R305 VanDerWaalsContact CZ-CZ 3.47Å; E272-R305 IonicContact OE1-CZ 3.37Å; E272-R305 IonicContact OE1-NH1 3.19Å; E272-R305 PolarHBondContact OE1-NH1 3.06Å; E272-R305 IonicContact OE1-NH2 3.38Å; E272-R305 PolarHBondContact OE1-NH2 3.01Å; E302-R305 WeakPolarHBondContact O-CG 3.39Å; R305-S307 PolarHBondContact O-N 3.44Å; R305-W308 HydrophobicContact CB-CD2 3.82Å; R305-W308 HydrophobicContact CB-CE3 3.9Å; R305-W308 HydrophobicContact CB-CG 4.16Å; R305-W308 HydrophobicContact CB-CZ3 4.24Å; R305-W308 HydrophobicContact CG-CH2 4.43Å; R305-W308 HydrophobicContact CG-CZ3 4.41Å; R305-W308 PolarHBondContact O-N 3.45Å; R305-Y352 PolarHBondContact O-OH 3.41Å; R305-D362 WeakPolarHBondContact CA-O 3.35Å; R305-D362 HydrophobicContact CG-CB 3.81Å; R305-D362 VanDerWaalsContact CG-OD2 3.31Å; R305-D362 WeakPolarHBondContact CG-OD2 3.26Å; R305-D362 IonicContact NE-OD2 2.9Å; R305-D362 PolarHBondContact NE-OD2 3.41Å; R305-G366 PolarHBondContact NH1-O 2.71Å; R305-G366 PolarHBondContact NH2-O 3.34Å |
| 306 | L | 89.2 | Confident | 88.5 | Confident | 22 Ų | 22 | 25.7 Ų | 25.7 | 12% | 0.115 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -60.3 | -31.7 | 179 | -71.9 | -176.6 | 0 | 0 | 0 | 112.6 | L8 W308 L309 P310 L356 C361 D362 T363 | L8-L306 HydrophobicContact CD1-CD2 4.46Å; L306-W308 PolarHBondContact O-N 2.92Å; L306-L309 PolarHBondContact O-N 3.22Å; L306-P310 WeakPolarHBondContact O-CD 3.4Å; L306-L356 HydrophobicContact CD2-CD2 3.62Å; L306-L356 HydrophobicContact CD2-CG 4.47Å; L306-C361 HydrophobicContact CD1-CB 4.18Å; L306-C361 HydrophobicContact CD2-CB 3.39Å; L306-C361 HydrophobicContact CG-CB 3.54Å; L306-D362 PolarHBondContact N-O 2.93Å; L306-T363 HydrophobicContact CD1-CG2 3.9Å |
| 307 | S | 86.9 | Confident | 88.8 | Confident | 43 Ų | 43 | 28.4 Ų | 28.4 | 30% | 0.301 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -66.1 | -14.2 | 177 | 57.4 | 0 | 0 | 0 | 0 | 114.2 | R305 | R305-S307 PolarHBondContact O-N 3.44Š|
| 308 | W | 88.7 | Confident | 89.4 | Confident | 3 Ų | 3 | 33.6 Ų | 33.6 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -96.6 | -16.5 | 177.9 | -63.4 | -11.3 | 0 | 0 | 0 | 113.9 | F268 M271 Q292 E302 R305 L306 P311 L312 | F268-W308 HydrophobicContact CD2-CH2 4.19Å; F268-W308 AromaticContact CE2-CH2 3.74Å; F268-W308 HydrophobicContact CE2-CH2 3.74Å; M271-W308 HydrophobicContact CE-CE3 4.23Å; M271-W308 HydrophobicContact CE-CH2 3.12Å; M271-W308 HydrophobicContact CE-CZ2 4.16Å; M271-W308 HydrophobicContact CE-CZ3 3.17Å; M271-W308 HydrophobicContact SD-CH2 4.28Å; M271-W308 HydrophobicContact SD-CZ3 3.97Å; Q292-W308 HydrophobicContact CG-CE3 4.31Å; Q292-W308 HydrophobicContact CG-CZ3 4.47Å; E302-W308 WeakPolarHBondContact O-CZ3 2.91Å; R305-W308 HydrophobicContact CB-CD2 3.82Å; R305-W308 HydrophobicContact CB-CE3 3.9Å; R305-W308 HydrophobicContact CB-CG 4.16Å; R305-W308 HydrophobicContact CB-CZ3 4.24Å; R305-W308 HydrophobicContact CG-CH2 4.43Å; R305-W308 HydrophobicContact CG-CZ3 4.41Å; R305-W308 PolarHBondContact O-N 3.45Å; L306-W308 PolarHBondContact O-N 2.92Å; W308-P311 WeakPolarHBondContact O-CD 3.4Å; W308-P311 WeakPolarHBondContact O-CG 3.48Å; W308-L312 PolarHBondContact O-N 2.83Å |
| 309 | L | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.2 | -48 | 178.9 | 175 | 62.3 | 0 | 0 | 0 | 113 | L8 T12 L306 L312 L313 L349 Y352 L356 | L8-L309 HydrophobicContact CD2-CD2 4.34Å; T12-L309 HydrophobicContact CG2-CD1 4.34Å; L306-L309 PolarHBondContact O-N 3.22Å; L309-L312 HydrophobicContact CD1-CD2 4.41Å; L309-L312 WeakPolarHBondContact O-CA 3.1Å; L309-L312 WeakPolarHBondContact O-CB 3.49Å; L309-L312 PolarHBondContact O-N 3.24Å; L309-L313 HydrophobicContact CD1-CD1 4.1Å; L309-L313 HydrophobicContact CD1-CD2 4.15Å; L309-L313 HydrophobicContact CD1-CG 3.89Å; L309-L313 HydrophobicContact CG-CD1 3.96Å; L309-L313 HydrophobicContact CG-CG 4.21Å; L309-L313 WeakPolarHBondContact O-CG 3.29Å; L309-L313 PolarHBondContact O-N 3.38Å; L309-L349 HydrophobicContact CD1-CD2 4.39Å; L309-Y352 HydrophobicContact CB-CD1 3.99Å; L309-Y352 HydrophobicContact CB-CE1 3.84Å; L309-Y352 HydrophobicContact CB-CG 4.45Å; L309-Y352 HydrophobicContact CD1-CD1 4.18Å; L309-Y352 HydrophobicContact CD1-CD2 3.91Å; L309-Y352 HydrophobicContact CD1-CE2 4.39Å; L309-Y352 HydrophobicContact CD1-CG 3.8Å; L309-Y352 HydrophobicContact CD2-CD1 4.11Å; L309-Y352 HydrophobicContact CD2-CG 4.36Å; L309-Y352 HydrophobicContact CG-CD1 4.33Å; L309-Y352 HydrophobicContact CG-CG 4.43Å; L309-L356 HydrophobicContact CD2-CD1 3.8Å |
| 310 | P | 90.2 | Very high | 90.9 | Very high | 51 Ų | 51 | 36.5 Ų | 36.5 | 33% | 0.331 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -52.6 | -48.5 | 179.9 | -24.6 | 30.9 | 0 | 0 | 0 | 113.6 | L306 L312 L313 D314 | L306-P310 WeakPolarHBondContact O-CD 3.4Å; P310-L312 VanDerWaalsContact C-N 3.34Å; P310-L312 PolarHBondContact O-N 3.4Å; P310-L313 CarbonylContact O-C 3.57Å; P310-L313 WeakPolarHBondContact O-CA 3.15Å; P310-L313 WeakPolarHBondContact O-CB 3.26Å; P310-L313 PolarHBondContact O-N 2.66Å; P310-D314 PolarHBondContact O-N 2.97Å |
| 311 | P | 87.4 | Confident | 91.3 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 7% | 0.071 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -34.4 | 176.1 | 12.5 | -18.4 | 0 | 0 | 0 | 113.7 | P281 W308 L313 D314 H315 | P281-P311 VanDerWaalsContact C-CB 3.4Å; P281-P311 VanDerWaalsContact C-CG 3.47Å; P281-P311 HydrophobicContact CB-CB 4.33Å; P281-P311 HydrophobicContact CB-CG 3.38Å; P281-P311 HydrophobicContact CG-CG 3.76Å; P281-P311 WeakPolarHBondContact O-CB 3.02Å; P281-P311 WeakPolarHBondContact O-CG 2.78Å; W308-P311 WeakPolarHBondContact O-CD 3.4Å; W308-P311 WeakPolarHBondContact O-CG 3.48Å; P311-L313 PolarHBondContact O-N 2.83Å; P311-D314 PolarHBondContact O-N 3.15Å; P311-H315 PolarHBondContact O-N 3.15Å; P311-H315 PolarHBondContact O-ND1 3.13Å |
| 312 | L | 91.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.6 | -36.9 | 170.5 | 176.3 | 66.4 | 0 | 0 | 0 | 111.5 | W289 W308 L309 P310 Y322 A345 L348 L349 Y352 | W289-L312 HydrophobicContact CD2-CD1 4.09Å; W289-L312 HydrophobicContact CG-CD1 4.45Å; W289-L312 HydrophobicContact CZ2-CD1 3.99Å; W308-L312 PolarHBondContact O-N 2.83Å; L309-L312 HydrophobicContact CD1-CD2 4.41Å; L309-L312 WeakPolarHBondContact O-CA 3.1Å; L309-L312 WeakPolarHBondContact O-CB 3.49Å; L309-L312 PolarHBondContact O-N 3.24Å; P310-L312 VanDerWaalsContact C-N 3.34Å; P310-L312 PolarHBondContact O-N 3.4Å; L312-Y322 HydrophobicContact CD1-CE1 3.97Å; L312-Y322 WeakPolarHBondContact O-CE1 3.2Å; L312-Y322 PolarHBondContact O-OH 2.85Å; L312-A345 HydrophobicContact CD1-CB 4.07Å; L312-L348 HydrophobicContact CD1-CD2 4.46Å; L312-L348 HydrophobicContact CD2-CB 4.44Å; L312-L348 HydrophobicContact CD2-CD2 3.77Å; L312-L348 HydrophobicContact CD2-CG 3.87Å; L312-L349 HydrophobicContact CD2-CD2 3.95Å; L312-L349 HydrophobicContact CD2-CG 4.32Å; L312-L349 HydrophobicContact CG-CD2 4.36Å; L312-Y352 HydrophobicContact CD2-CD2 4.09Å; L312-Y352 HydrophobicContact CD2-CE2 4.02Å |
| 313 | L | 93.7 | Very high | 91.4 | Very high | 28 Ų | 28 | 33.6 Ų | 33.6 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.9 | -42 | 175.4 | -61.2 | 174.4 | 0 | 0 | 0 | 111.5 | L11 A15 L309 P310 P311 H315 Q316 L349 | L11-L313 HydrophobicContact CB-CD1 4.39Å; A15-L313 HydrophobicContact CB-CD2 3.6Å; L309-L313 HydrophobicContact CD1-CD1 4.1Å; L309-L313 HydrophobicContact CD1-CD2 4.15Å; L309-L313 HydrophobicContact CD1-CG 3.89Å; L309-L313 HydrophobicContact CG-CD1 3.96Å; L309-L313 HydrophobicContact CG-CG 4.21Å; L309-L313 WeakPolarHBondContact O-CG 3.29Å; L309-L313 PolarHBondContact O-N 3.38Å; P310-L313 CarbonylContact O-C 3.57Å; P310-L313 WeakPolarHBondContact O-CA 3.15Å; P310-L313 WeakPolarHBondContact O-CB 3.26Å; P310-L313 PolarHBondContact O-N 2.66Å; P311-L313 PolarHBondContact O-N 2.83Å; L313-H315 VanDerWaalsContact C-N 3.28Å; L313-H315 PolarHBondContact O-N 3Å; L313-Q316 VanDerWaalsContact O-CB 3.27Å; L313-Q316 WeakPolarHBondContact O-CB 3.16Å; L313-Q316 PolarHBondContact O-N 2.88Å; L313-Q316 VanDerWaalsContact O-N 3.1Å; L313-L349 HydrophobicContact CD2-CD2 3.72Å |
| 314 | D | 90.3 | Very high | 90.7 | Very high | 132 Ų | 132 | 35 Ų | 35 | 71% | 0.706 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -68 | -25.5 | -178.8 | -64.3 | -26.2 | 0 | 0 | 0 | 113 | P310 P311 Q316 | P310-D314 PolarHBondContact O-N 2.97Å; P311-D314 PolarHBondContact O-N 3.15Å; D314-Q316 PolarHBondContact O-N 3.25Å |
| 315 | H | 89.9 | Confident | 89.5 | Confident | 60 Ų | 60 | 37.8 Ų | 37.8 | 28% | 0.278 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -10.6 | 174.3 | -79 | 68.9 | 0 | 0 | 0 | 113.5 | G282 W289 P311 L313 H317 Y322 | G282-H315 PolarHBondContact O-CE1 3.38Å; G282-H315 PolarHBondContact O-NE2 3.38Å; G282-H315 VanDerWaalsContact O-NE2 3.12Å; W289-H315 HydrophobicContact CH2-CB 4.41Å; W289-H315 HydrophobicContact CZ2-CB 4.26Å; P311-H315 PolarHBondContact O-N 3.15Å; P311-H315 PolarHBondContact O-ND1 3.13Å; L313-H315 VanDerWaalsContact C-N 3.28Å; L313-H315 PolarHBondContact O-N 3Å; H315-H317 PolarHBondContact O-N 3.12Å; H315-Y322 HydrophobicContact CB-CD1 4.18Å; H315-Y322 HydrophobicContact CB-CE1 4.1Å |
| 316 | Q | 93.6 | Very high | 87.7 | Confident | 39 Ų | 39 | 41.7 Ų | 41.7 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -71.1 | 123.8 | 179 | -166.9 | 175.9 | 39.7 | 0 | 0 | 109.9 | A15 V19 L313 D314 G320 Y322 | A15-Q316 PolarHBondContact O-NE2 3.24Å; V19-Q316 VanDerWaalsContact CG2-NE2 3.31Å; L313-Q316 VanDerWaalsContact O-CB 3.27Å; L313-Q316 WeakPolarHBondContact O-CB 3.16Å; L313-Q316 PolarHBondContact O-N 2.88Å; L313-Q316 VanDerWaalsContact O-N 3.1Å; D314-Q316 PolarHBondContact O-N 3.25Å; Q316-G320 PolarHBondContact NE2-O 2.98Å; Q316-Y322 HydrophobicContact CB-CE1 4.01Å; Q316-Y322 HydrophobicContact CB-CE2 4.21Å; Q316-Y322 HydrophobicContact CG-CE2 3.94Å |
| 317 | H | 93.7 | Very high | 85.9 | Confident | 71 Ų | 71 | 45.8 Ų | 45.8 | 33% | 0.329 | 28% | 0.277 | S | S | . | . | trans | -65.2 | 152.2 | 173.6 | -169.6 | -97.3 | 0 | 0 | 0 | 110.3 | H315 T319 G320 C321 | H315-H317 PolarHBondContact O-N 3.12Å; H317-T319 PolarHBondContact ND1-N 2.99Å; H317-T319 PolarHBondContact ND1-OG1 3.38Å; H317-T319 PolarHBondContact O-N 3.1Å; H317-G320 WeakPolarHBondContact O-CA 3.06Å; H317-G320 PolarHBondContact O-N 2.76Å; H317-C321 WeakPolarHBondContact CB-O 3.27Å; H317-C321 PolarHBondContact N-O 3.3Å | ||
| 318 | P | 94 | Very high | 83.8 | Confident | 121 Ų | 121 | 51 Ų | 51 | 79% | 0.786 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -22.2 | 177.4 | -31.2 | 36.7 | 0 | 0 | 0 | 115.7 | G320 | P318-G320 VanDerWaalsContact C-N 3.27Š|
| 319 | T | 94.8 | Very high | 81.8 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 43% | 0.429 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -13.6 | 174.4 | 54.1 | 0 | 0 | 0 | 0 | 113.5 | F22 H317 C321 | F22-T319 WeakPolarHBondContact CB-O 3.38Å; H317-T319 PolarHBondContact ND1-N 2.99Å; H317-T319 PolarHBondContact ND1-OG1 3.38Å; H317-T319 PolarHBondContact O-N 3.1Å; T319-C321 PolarHBondContact OG1-SG 3.39Å |
| 320 | G | 95.3 | Very high | 79.8 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 37% | 0.365 | C | S | . | . | S | Bend | trans | 100 | -8.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S18 V19 Q316 H317 P318 | S18-G320 WeakPolarHBondContact OG-CA 3.29Å; V19-G320 WeakPolarHBondContact CA-O 3.02Å; V19-G320 VanDerWaalsContact CG2-O 3.28Å; V19-G320 WeakPolarHBondContact CG2-O 3.4Å; Q316-G320 PolarHBondContact NE2-O 2.98Å; H317-G320 WeakPolarHBondContact O-CA 3.06Å; H317-G320 PolarHBondContact O-N 2.76Å; P318-G320 VanDerWaalsContact C-N 3.27Å |
| 321 | C | 95.2 | Very high | 77.8 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 39% | 0.39 | C | S | . | . | trans | -83.9 | 170 | -179 | 81.5 | 0 | 0 | 0 | 0 | 113 | F22 H317 T319 C337 | F22-C321 HydrophobicContact CD1-CB 3.64Å; F22-C321 HydrophobicContact CD2-CB 3.84Å; F22-C321 HydrophobicContact CE1-CB 3.48Å; F22-C321 VanDerWaalsContact CE1-CB 3.48Å; F22-C321 HydrophobicContact CE2-CB 3.71Å; F22-C321 HydrophobicContact CG-CB 3.82Å; F22-C321 HydrophobicContact CZ-CB 3.54Å; H317-C321 WeakPolarHBondContact CB-O 3.27Å; H317-C321 PolarHBondContact N-O 3.3Å; T319-C321 PolarHBondContact OG1-SG 3.39Å; C321-C337 HydrophobicContact CB-CB 3.53Å; C321-C337 WeakPolarHBondContact CB-SG 2.86Å; C321-C337 VanDerWaalsContact SG-CA 3.56Å; C321-C337 WeakPolarHBondContact SG-CB 3.49Å; C321-C337 CovalentContact SG-SG 2.02Å; C321-C337 PolarHBondContact SG-SG 3Å | ||
| 322 | Y | 92.9 | Very high | 76 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 43% | 0.431 | C | S | . | . | trans | -118.8 | 149.7 | 170.2 | -72.6 | -92.9 | 0 | 0 | 0 | 110.4 | V19 W289 L312 H315 Q316 D338 T342 A345 | V19-Y322 HydrophobicContact CG2-CD2 4.38Å; V19-Y322 HydrophobicContact CG2-CE2 3.86Å; W289-Y322 AromaticContact CH2-CD1 3.57Å; W289-Y322 HydrophobicContact CH2-CD1 3.57Å; W289-Y322 HydrophobicContact CH2-CE1 4.25Å; W289-Y322 HydrophobicContact CH2-CG 4.33Å; W289-Y322 HydrophobicContact CZ2-CD1 4.37Å; W289-Y322 AromaticContact CZ3-CD1 3.93Å; W289-Y322 HydrophobicContact CZ3-CD1 3.93Å; W289-Y322 HydrophobicContact CZ3-CG 4.27Å; L312-Y322 HydrophobicContact CD1-CE1 3.97Å; L312-Y322 WeakPolarHBondContact O-CE1 3.2Å; L312-Y322 PolarHBondContact O-OH 2.85Å; H315-Y322 HydrophobicContact CB-CD1 4.18Å; H315-Y322 HydrophobicContact CB-CE1 4.1Å; Q316-Y322 HydrophobicContact CB-CE1 4.01Å; Q316-Y322 HydrophobicContact CB-CE2 4.21Å; Q316-Y322 HydrophobicContact CG-CE2 3.94Å; Y322-D338 PolarHBondContact O-N 3.03Å; Y322-T342 PolarHBondContact N-OG1 3.23Å; Y322-T342 PolarHBondContact O-OG1 2.95Å; Y322-A345 HydrophobicContact CD1-CB 4.02Å; Y322-A345 HydrophobicContact CD2-CB 3.45Å; Y322-A345 VanDerWaalsContact CD2-CB 3.45Å; Y322-A345 HydrophobicContact CE1-CB 4.04Å; Y322-A345 HydrophobicContact CE2-CB 3.48Å; Y322-A345 VanDerWaalsContact CE2-CB 3.48Å; Y322-A345 HydrophobicContact CG-CB 3.71Å | ||
| 323 | T | 87.4 | Confident | 74.3 | Confident | 34 Ų | 34 | 81.2 Ų | 81.2 | 21% | 0.209 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 137 | 174.8 | 57.7 | 0 | 0 | 0 | 0 | 110 | A325 P335 K336 | T323-A325 PolarHBondContact O-N 3Å; T323-P335 HydrophobicContact CG2-CB 3.63Å; T323-K336 VanDerWaalsContact CG2-O 3.26Å; T323-K336 WeakPolarHBondContact CG2-O 3.39Å |
| 324 | A | 76.5 | Confident | 72.7 | Confident | 29 Ų | 29 | 85.6 Ų | 85.6 | 24% | 0.24 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 136.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | I326 D338 | A324-I326 PolarHBondContact O-N 2.85Å; A324-D338 HydrophobicContact CB-CB 3.99Å |
| 325 | A | 65.5 | Low | 71.6 | Confident | 69 Ų | 69 | 82.6 Ų | 82.6 | 57% | 0.57 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 116.1 | 178 | 0 | 0 | 0 | 0 | 0 | 109.5 | D285 T323 S327 | D285-A325 HydrophobicContact CB-CB 4Å; T323-A325 PolarHBondContact O-N 3Å; A325-S327 PolarHBondContact O-N 3.09Å |
| 326 | I | 53.5 | Low | 71.3 | Confident | 92 Ų | 92 | 88.1 Ų | 88.1 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 120.1 | -175 | -59.4 | 173.5 | 0 | 0 | 0 | 107.6 | A324 T328 P335 | A324-I326 PolarHBondContact O-N 2.85Å; I326-T328 PolarHBondContact O-N 2.64Å; I326-T328 VanDerWaalsContact O-N 3.11Å; I326-P335 HydrophobicContact CD1-CB 4.33Å |
| 327 | S | 49.9 | Very low | 71.2 | Confident | 108 Ų | 108 | 88 Ų | 88 | 76% | 0.755 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -48.5 | 119.8 | 166.4 | 173.8 | 0 | 0 | 0 | 0 | 108.3 | A325 G329 | A325-S327 PolarHBondContact O-N 3.09Å; S327-G329 PolarHBondContact O-N 3.3Å |
| 328 | T | 44.6 | Very low | 71 | Confident | 152 Ų | 152 | 86.2 Ų | 86.2 | 93% | 0.933 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -67.3 | 29.9 | -166.2 | 46.1 | 0 | 0 | 0 | 0 | 115.2 | I326 | I326-T328 PolarHBondContact O-N 2.64Å; I326-T328 VanDerWaalsContact O-N 3.11Å |
| 329 | G | 45.7 | Very low | 70.8 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 65% | 0.649 | 46% | 0.463 | S | S | * | . | trans | -131.4 | 72.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S327 | S327-G329 PolarHBondContact O-N 3.3Š| ||
| 330 | S | 49.5 | Very low | 70.4 | Confident | 84 Ų | 84 | 78.3 Ų | 78.3 | 59% | 0.587 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 170.4 | 126.7 | 143.2 | -175 | 0 | 0 | 0 | 0 | 110.3 | ||
| 331 | N | 48.9 | Very low | 70.1 | Confident | 157 Ų | 157 | 78.3 Ų | 78.3 | 84% | 0.84 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 133.3 | -178.5 | -75.5 | -37.3 | 0 | 0 | 0 | 112.2 | ||
| 332 | R | 49.8 | Very low | 70.1 | Confident | 247 Ų | 247 | 78.3 Ų | 78.3 | 93% | 0.932 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 36.7 | 168.6 | -60.1 | -174.2 | -178.1 | 176.2 | 1.2 | 119.2 | T334 | R332-T334 PolarHBondContact O-N 3.32Š|
| 333 | F | 55.3 | Low | 70 | Confident | 149 Ų | 149 | 78.4 Ų | 78.4 | 65% | 0.654 | 45% | 0.445 | S | S | * | . | trans | -81.9 | 116.5 | 158.8 | -79.9 | -80.7 | 0 | 0 | 0 | 110.3 | ||||
| 334 | T | 60.5 | Low | 70 | Confident | 120 Ų | 120 | 76.8 Ų | 76.8 | 74% | 0.736 | 44% | 0.435 | S | S | * | . | trans | -54.5 | 125.6 | 162.8 | 46.4 | 0 | 0 | 0 | 0 | 107.7 | R332 K336 | R332-T334 PolarHBondContact O-N 3.32Å; T334-K336 PolarHBondContact O-N 3.11Å | ||
| 335 | P | 67.8 | Low | 70.8 | Confident | 70 Ų | 70 | 75.4 Ų | 75.4 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | trans | -57 | 108.2 | -177.7 | 22.2 | -31.9 | 0 | 0 | 0 | 109.1 | T323 I326 | T323-P335 HydrophobicContact CG2-CB 3.63Å; I326-P335 HydrophobicContact CD1-CB 4.33Å | ||
| 336 | K | 83.8 | Confident | 72.3 | Confident | 175 Ų | 175 | 72.1 Ų | 72.1 | 76% | 0.761 | 40% | 0.397 | S | S | * | . | trans | -82 | 130.2 | 179.5 | -168.2 | 178.6 | 178.5 | -177.2 | 0 | 108.1 | T323 T334 D338 | T323-K336 VanDerWaalsContact CG2-O 3.26Å; T323-K336 WeakPolarHBondContact CG2-O 3.39Å; T334-K336 PolarHBondContact O-N 3.11Å; K336-D338 PolarHBondContact O-N 3.39Å | ||
| 337 | C | 89.8 | Confident | 74.2 | Confident | 37 Ų | 37 | 67.8 Ų | 67.8 | 25% | 0.25 | 38% | 0.375 | C | S | . | . | trans | -52.9 | 132.7 | 170 | -65 | 0 | 0 | 0 | 0 | 110 | F22 C321 | F22-C337 HydrophobicContact CE1-CB 4.34Å; F22-C337 HydrophobicContact CE2-CB 4.1Å; F22-C337 HydrophobicContact CZ-CB 3.56Å; C321-C337 HydrophobicContact CB-CB 3.53Å; C321-C337 WeakPolarHBondContact CB-SG 2.86Å; C321-C337 VanDerWaalsContact SG-CA 3.56Å; C321-C337 WeakPolarHBondContact SG-CB 3.49Å; C321-C337 CovalentContact SG-SG 2.02Å; C321-C337 PolarHBondContact SG-SG 3Å | ||
| 338 | D | 90 | Very high | 76.3 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | trans | -112.5 | 117.6 | 175.8 | -179.1 | -109.6 | 0 | 0 | 0 | 109.3 | Y322 A324 K336 F340 A341 T342 | Y322-D338 PolarHBondContact O-N 3.03Å; A324-D338 HydrophobicContact CB-CB 3.99Å; K336-D338 PolarHBondContact O-N 3.39Å; D338-F340 PolarHBondContact O-N 3.32Å; D338-F340 WeakPolarHBondContact OD1-CB 3.48Å; D338-F340 PolarHBondContact OD1-N 2.83Å; D338-A341 HydrophobicContact CB-CB 4Å; D338-A341 PolarHBondContact O-N 3.37Å; D338-A341 VanDerWaalsContact OD1-CB 3.26Å; D338-A341 WeakPolarHBondContact OD1-CB 3.05Å; D338-A341 PolarHBondContact OD1-N 3.08Å; D338-T342 VanDerWaalsContact O-CB 3.27Å; D338-T342 WeakPolarHBondContact O-CB 3.37Å; D338-T342 PolarHBondContact O-N 3.47Å; D338-T342 PolarHBondContact O-OG1 3.4Å | ||
| 339 | M | 90.2 | Very high | 78.8 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.2 | -31.4 | -176.2 | -77.4 | -61.9 | -72.2 | 0 | 0 | 112.5 | F22 E29 V30 A343 | F22-M339 HydrophobicContact CD1-SD 4.44Å; F22-M339 HydrophobicContact CE1-SD 3.59Å; F22-M339 VanDerWaalsContact CE1-SD 3.59Å; F22-M339 HydrophobicContact CZ-SD 4.31Å; E29-M339 HydrophobicContact CB-CG 4.14Å; V30-M339 HydrophobicContact CB-CE 4.36Å; V30-M339 HydrophobicContact CG2-CE 3.67Å; M339-A343 WeakPolarHBondContact O-CB 3.43Å; M339-A343 PolarHBondContact O-N 2.96Å |
| 340 | F | 86.8 | Confident | 81.1 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -71.7 | -51.3 | 178.5 | 177.5 | -99.3 | 0 | 0 | 0 | 111.4 | L196 M200 L204 T286 L290 D338 T342 A343 V344 | L196-F340 HydrophobicContact CD2-CE2 3.91Å; L196-F340 WeakPolarHBondContact O-CE2 3.48Å; M200-F340 HydrophobicContact CE-CE1 3.55Å; M200-F340 HydrophobicContact CE-CE2 4.06Å; M200-F340 HydrophobicContact CE-CZ 3.19Å; M200-F340 HydrophobicContact CG-CE2 3.92Å; M200-F340 HydrophobicContact CG-CZ 3.99Å; M200-F340 HydrophobicContact SD-CZ 4.42Å; L204-F340 HydrophobicContact CD1-CD1 4.45Å; T286-F340 HydrophobicContact CG2-CD1 3.82Å; T286-F340 HydrophobicContact CG2-CE1 3.61Å; L290-F340 HydrophobicContact CD1-CE1 4.03Å; L290-F340 HydrophobicContact CD1-CZ 3.94Å; L290-F340 HydrophobicContact CD2-CZ 4.09Å; L290-F340 HydrophobicContact CG-CZ 4.43Å; D338-F340 PolarHBondContact O-N 3.32Å; D338-F340 WeakPolarHBondContact OD1-CB 3.48Å; D338-F340 PolarHBondContact OD1-N 2.83Å; F340-T342 VanDerWaalsContact C-N 3.25Å; F340-T342 PolarHBondContact O-N 3.45Å; F340-A343 WeakPolarHBondContact O-CB 3.49Å; F340-A343 PolarHBondContact O-N 3.35Å; F340-A343 VanDerWaalsContact O-N 3.11Å; F340-V344 HydrophobicContact CD1-CG2 4.37Å; F340-V344 HydrophobicContact CE1-CG2 3.8Å; F340-V344 HydrophobicContact CE2-CG2 4.07Å; F340-V344 HydrophobicContact CZ-CG2 3.6Å; F340-V344 WeakPolarHBondContact O-CG2 3.23Å; F340-V344 PolarHBondContact O-N 3.37Å |
| 341 | A | 89.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.4 | -41.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T286 W289 D338 A343 V344 A345 | T286-A341 HydrophobicContact CG2-CB 4.06Å; W289-A341 HydrophobicContact CZ3-CB 4.22Å; D338-A341 HydrophobicContact CB-CB 4Å; D338-A341 PolarHBondContact O-N 3.37Å; D338-A341 VanDerWaalsContact OD1-CB 3.26Å; D338-A341 WeakPolarHBondContact OD1-CB 3.05Å; D338-A341 PolarHBondContact OD1-N 3.08Å; A341-A343 PolarHBondContact O-N 3.38Å; A341-V344 PolarHBondContact O-N 3.04Å; A341-A345 VanDerWaalsContact O-CB 3.27Å; A341-A345 WeakPolarHBondContact O-CB 3.09Å; A341-A345 PolarHBondContact O-N 3.08Å |
| 342 | T | 94 | Very high | 85.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | V19 F22 Y322 D338 F340 S346 | V19-T342 HydrophobicContact CB-CG2 4.49Å; V19-T342 HydrophobicContact CG1-CG2 3.38Å; F22-T342 HydrophobicContact CD1-CG2 4.09Å; F22-T342 HydrophobicContact CE1-CG2 4.39Å; Y322-T342 PolarHBondContact N-OG1 3.23Å; Y322-T342 PolarHBondContact O-OG1 2.95Å; D338-T342 VanDerWaalsContact O-CB 3.27Å; D338-T342 WeakPolarHBondContact O-CB 3.37Å; D338-T342 PolarHBondContact O-N 3.47Å; D338-T342 PolarHBondContact O-OG1 3.4Å; F340-T342 VanDerWaalsContact C-N 3.25Å; F340-T342 PolarHBondContact O-N 3.45Å; T342-S346 WeakPolarHBondContact O-CB 3.46Å; T342-S346 PolarHBondContact O-N 3.48Å; T342-S346 PolarHBondContact O-OG 3.26Å |
| 343 | A | 91.3 | Very high | 87.5 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.7 | -47.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A37 M339 F340 A341 A345 S346 A347 | A37-A343 HydrophobicContact CB-CB 3.88Å; M339-A343 WeakPolarHBondContact O-CB 3.43Å; M339-A343 PolarHBondContact O-N 2.96Å; F340-A343 WeakPolarHBondContact O-CB 3.49Å; F340-A343 PolarHBondContact O-N 3.35Å; F340-A343 VanDerWaalsContact O-N 3.11Å; A341-A343 PolarHBondContact O-N 3.38Å; A343-A345 PolarHBondContact O-N 2.77Å; A343-S346 PolarHBondContact O-N 3.39Å; A343-S346 PolarHBondContact O-OG 3.38Å; A343-A347 PolarHBondContact O-N 2.91Å; A343-A347 VanDerWaalsContact O-N 3.07Å |
| 344 | V | 87.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.6 | -47.8 | 177.9 | 174.5 | 0 | 0 | 0 | 0 | 111 | L196 T286 W289 L290 L293 F340 A341 S346 A347 L348 | L196-V344 HydrophobicContact CD2-CG2 4.18Å; T286-V344 HydrophobicContact CG2-CB 4.44Å; T286-V344 HydrophobicContact CG2-CG2 4.34Å; W289-V344 HydrophobicContact CB-CG1 3.65Å; L290-V344 HydrophobicContact CD2-CB 4.41Å; L290-V344 HydrophobicContact CD2-CG1 3.91Å; L290-V344 HydrophobicContact CD2-CG2 3.53Å; L290-V344 HydrophobicContact CG-CG1 3.94Å; L290-V344 HydrophobicContact CG-CG2 4.02Å; L293-V344 HydrophobicContact CD2-CG1 4.42Å; F340-V344 HydrophobicContact CD1-CG2 4.37Å; F340-V344 HydrophobicContact CE1-CG2 3.8Å; F340-V344 HydrophobicContact CE2-CG2 4.07Å; F340-V344 HydrophobicContact CZ-CG2 3.6Å; F340-V344 WeakPolarHBondContact O-CG2 3.23Å; F340-V344 PolarHBondContact O-N 3.37Å; A341-V344 PolarHBondContact O-N 3.04Å; V344-S346 VanDerWaalsContact C-N 3.34Å; V344-S346 PolarHBondContact O-N 2.91Å; V344-A347 PolarHBondContact O-N 2.85Å; V344-L348 WeakPolarHBondContact O-CB 3.44Å; V344-L348 PolarHBondContact O-N 3.03Å |
| 345 | A | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | W289 L312 Y322 A341 A343 A347 L348 L349 | W289-A345 HydrophobicContact CE3-CB 4.2Å; W289-A345 HydrophobicContact CZ3-CB 4.26Å; L312-A345 HydrophobicContact CD1-CB 4.07Å; Y322-A345 HydrophobicContact CD1-CB 4.02Å; Y322-A345 HydrophobicContact CD2-CB 3.45Å; Y322-A345 VanDerWaalsContact CD2-CB 3.45Å; Y322-A345 HydrophobicContact CE1-CB 4.04Å; Y322-A345 HydrophobicContact CE2-CB 3.48Å; Y322-A345 VanDerWaalsContact CE2-CB 3.48Å; Y322-A345 HydrophobicContact CG-CB 3.71Å; A341-A345 VanDerWaalsContact O-CB 3.27Å; A341-A345 WeakPolarHBondContact O-CB 3.09Å; A341-A345 PolarHBondContact O-N 3.08Å; A343-A345 PolarHBondContact O-N 2.77Å; A345-A347 PolarHBondContact O-N 3.24Å; A345-L348 CarbonylContact O-C 3.55Å; A345-L348 PolarHBondContact O-N 3.19Å; A345-L349 VanDerWaalsContact O-CG 3.3Å; A345-L349 WeakPolarHBondContact O-CG 3.45Å; A345-L349 PolarHBondContact O-N 3.3Å |
| 346 | S | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.3 | -40.1 | 178 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | I41 T342 A343 V344 L349 V350 | I41-S346 WeakPolarHBondContact CD1-OG 3.29Å; T342-S346 WeakPolarHBondContact O-CB 3.46Å; T342-S346 PolarHBondContact O-N 3.48Å; T342-S346 PolarHBondContact O-OG 3.26Å; A343-S346 PolarHBondContact O-N 3.39Å; A343-S346 PolarHBondContact O-OG 3.38Å; V344-S346 VanDerWaalsContact C-N 3.34Å; V344-S346 PolarHBondContact O-N 2.91Å; S346-L349 PolarHBondContact O-N 3.42Å; S346-V350 PolarHBondContact O-N 2.75Å |
| 347 | A | 94 | Very high | 92.1 | Very high | 1 Ų | 1 | 8.3 Ų | 8.3 | 1% | 0.008 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A37 F40 L293 A343 V344 A345 V350 C351 | A37-A347 HydrophobicContact CB-CB 4.39Å; F40-A347 HydrophobicContact CD1-CB 3.77Å; F40-A347 HydrophobicContact CE1-CB 4.05Å; L293-A347 HydrophobicContact CD1-CB 3.72Å; L293-A347 HydrophobicContact CD2-CB 3.7Å; L293-A347 HydrophobicContact CG-CB 4.37Å; A343-A347 PolarHBondContact O-N 2.91Å; A343-A347 VanDerWaalsContact O-N 3.07Å; V344-A347 PolarHBondContact O-N 2.85Å; A345-A347 PolarHBondContact O-N 3.24Å; A347-V350 PolarHBondContact O-N 2.71Å; A347-C351 PolarHBondContact O-N 3.16Å; A347-C351 PolarHBondContact O-SG 3.47Å |
| 348 | L | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -65.5 | -39.6 | 175.8 | -178 | 57.8 | 0 | 0 | 0 | 112.3 | W289 Q292 L304 L312 V344 A345 V350 C351 Y352 | W289-L348 HydrophobicContact CB-CD2 3.96Å; W289-L348 HydrophobicContact CG-CD2 4.15Å; Q292-L348 HydrophobicContact CB-CD1 3.67Å; Q292-L348 HydrophobicContact CB-CD2 3.97Å; L304-L348 HydrophobicContact CD2-CD1 3.86Å; L312-L348 HydrophobicContact CD1-CD2 4.46Å; L312-L348 HydrophobicContact CD2-CB 4.44Å; L312-L348 HydrophobicContact CD2-CD2 3.77Å; L312-L348 HydrophobicContact CD2-CG 3.87Å; V344-L348 WeakPolarHBondContact O-CB 3.44Å; V344-L348 PolarHBondContact O-N 3.03Å; A345-L348 CarbonylContact O-C 3.55Å; A345-L348 PolarHBondContact O-N 3.19Å; L348-V350 VanDerWaalsContact C-N 3.27Å; L348-V350 PolarHBondContact O-N 2.97Å; L348-C351 HydrophobicContact CD1-CB 4.48Å; L348-C351 WeakPolarHBondContact O-CA 3.47Å; L348-C351 VanDerWaalsContact O-CB 3.32Å; L348-C351 WeakPolarHBondContact O-CB 3.36Å; L348-C351 PolarHBondContact O-N 3.5Å; L348-Y352 HydrophobicContact CD1-CD2 4.1Å; L348-Y352 HydrophobicContact CD1-CE2 3.78Å; L348-Y352 HydrophobicContact CD2-CE2 4.25Å; L348-Y352 HydrophobicContact CG-CD2 3.99Å; L348-Y352 HydrophobicContact CG-CE2 3.77Å; L348-Y352 WeakPolarHBondContact O-CD2 3.37Å; L348-Y352 PolarHBondContact O-N 3.45Å |
| 349 | L | 96.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -57.4 | -40.2 | 173.9 | -73.7 | 171.8 | 0 | 0 | 0 | 111.2 | T12 A15 L16 V19 L309 L312 L313 A345 S346 Y352 I353 | T12-L349 HydrophobicContact CG2-CB 4.26Å; T12-L349 HydrophobicContact CG2-CD2 3.72Å; A15-L349 HydrophobicContact CB-CD1 4.09Å; A15-L349 HydrophobicContact CB-CD2 4.35Å; L16-L349 HydrophobicContact CB-CD1 4.44Å; V19-L349 HydrophobicContact CG2-CD1 4.23Å; L309-L349 HydrophobicContact CD1-CD2 4.39Å; L312-L349 HydrophobicContact CD2-CD2 3.95Å; L312-L349 HydrophobicContact CD2-CG 4.32Å; L312-L349 HydrophobicContact CG-CD2 4.36Å; L313-L349 HydrophobicContact CD2-CD2 3.72Å; A345-L349 VanDerWaalsContact O-CG 3.3Å; A345-L349 WeakPolarHBondContact O-CG 3.45Å; A345-L349 PolarHBondContact O-N 3.3Å; S346-L349 PolarHBondContact O-N 3.42Å; L349-Y352 CarbonylContact O-C 3.25Å; L349-Y352 PolarHBondContact O-N 3.27Å; L349-I353 VanDerWaalsContact O-CG1 3.31Å; L349-I353 WeakPolarHBondContact O-CG1 3.26Å; L349-I353 PolarHBondContact O-N 3.02Å |
| 350 | V | 95.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.9 | -38 | 174.3 | 165.7 | 0 | 0 | 0 | 0 | 112.7 | L16 F40 I41 Q44 I48 S346 A347 L348 Y352 I353 R354 | L16-V350 HydrophobicContact CD1-CG2 4.34Å; L16-V350 HydrophobicContact CD2-CG2 3.56Å; F40-V350 HydrophobicContact CE1-CG1 4.3Å; I41-V350 HydrophobicContact CB-CG2 4.03Å; I41-V350 HydrophobicContact CG1-CB 4.42Å; I41-V350 HydrophobicContact CG1-CG2 3.64Å; I41-V350 HydrophobicContact CG2-CG2 3.75Å; Q44-V350 HydrophobicContact CB-CG1 3.51Å; Q44-V350 HydrophobicContact CG-CG1 4.02Å; I48-V350 HydrophobicContact CD1-CG1 4.08Å; S346-V350 PolarHBondContact O-N 2.75Å; A347-V350 PolarHBondContact O-N 2.71Å; L348-V350 VanDerWaalsContact C-N 3.27Å; L348-V350 PolarHBondContact O-N 2.97Å; V350-Y352 VanDerWaalsContact C-N 3.3Å; V350-Y352 PolarHBondContact O-N 3.47Å; V350-I353 PolarHBondContact O-N 2.76Å; V350-R354 PolarHBondContact O-N 3.32Å |
| 351 | C | 93.4 | Very high | 91.5 | Very high | 13 Ų | 13 | 13.5 Ų | 13.5 | 9% | 0.088 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 172.4 | -63 | 0 | 0 | 0 | 0 | 111.1 | L304 A347 L348 R354 C355 | L304-C351 HydrophobicContact CD1-CB 4.05Å; L304-C351 HydrophobicContact CD2-CB 3.81Å; A347-C351 PolarHBondContact O-N 3.16Å; A347-C351 PolarHBondContact O-SG 3.47Å; L348-C351 HydrophobicContact CD1-CB 4.48Å; L348-C351 WeakPolarHBondContact O-CA 3.47Å; L348-C351 VanDerWaalsContact O-CB 3.32Å; L348-C351 WeakPolarHBondContact O-CB 3.36Å; L348-C351 PolarHBondContact O-N 3.5Å; C351-R354 PolarHBondContact O-N 3.33Å; C351-C355 WeakPolarHBondContact O-CB 3.47Å; C351-C355 PolarHBondContact O-N 2.96Å |
| 352 | Y | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 173.8 | -80.8 | -72.9 | 0 | 0 | 0 | 113.1 | Q292 L304 R305 L309 L312 L348 L349 V350 R354 C355 L356 | Q292-Y352 PolarHBondContact OE1-OH 3Å; L304-Y352 HydrophobicContact CB-CD1 4.36Å; L304-Y352 HydrophobicContact CB-CE1 4Å; L304-Y352 HydrophobicContact CD2-CD1 4.29Å; L304-Y352 HydrophobicContact CD2-CD2 4.12Å; L304-Y352 HydrophobicContact CD2-CE1 4.14Å; L304-Y352 HydrophobicContact CD2-CE2 3.95Å; L304-Y352 HydrophobicContact CD2-CG 4.28Å; R305-Y352 PolarHBondContact O-OH 3.41Å; L309-Y352 HydrophobicContact CB-CD1 3.99Å; L309-Y352 HydrophobicContact CB-CE1 3.84Å; L309-Y352 HydrophobicContact CB-CG 4.45Å; L309-Y352 HydrophobicContact CD1-CD1 4.18Å; L309-Y352 HydrophobicContact CD1-CD2 3.91Å; L309-Y352 HydrophobicContact CD1-CE2 4.39Å; L309-Y352 HydrophobicContact CD1-CG 3.8Å; L309-Y352 HydrophobicContact CD2-CD1 4.11Å; L309-Y352 HydrophobicContact CD2-CG 4.36Å; L309-Y352 HydrophobicContact CG-CD1 4.33Å; L309-Y352 HydrophobicContact CG-CG 4.43Å; L312-Y352 HydrophobicContact CD2-CD2 4.09Å; L312-Y352 HydrophobicContact CD2-CE2 4.02Å; L348-Y352 HydrophobicContact CD1-CD2 4.1Å; L348-Y352 HydrophobicContact CD1-CE2 3.78Å; L348-Y352 HydrophobicContact CD2-CE2 4.25Å; L348-Y352 HydrophobicContact CG-CD2 3.99Å; L348-Y352 HydrophobicContact CG-CE2 3.77Å; L348-Y352 WeakPolarHBondContact O-CD2 3.37Å; L348-Y352 PolarHBondContact O-N 3.45Å; L349-Y352 CarbonylContact O-C 3.25Å; L349-Y352 PolarHBondContact O-N 3.27Å; V350-Y352 VanDerWaalsContact C-N 3.3Å; V350-Y352 PolarHBondContact O-N 3.47Å; Y352-R354 VanDerWaalsContact C-N 3.33Å; Y352-R354 PolarHBondContact O-N 3.01Å; Y352-C355 WeakPolarHBondContact O-CB 3.25Å; Y352-C355 PolarHBondContact O-N 3.04Å; Y352-L356 WeakPolarHBondContact O-CB 3.34Å; Y352-L356 VanDerWaalsContact O-CG 3.31Å; Y352-L356 WeakPolarHBondContact O-CG 3.19Å; Y352-L356 PolarHBondContact O-N 3.23Å |
| 353 | I | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.3 | -48.4 | 174.8 | -72 | 167.1 | 0 | 0 | 0 | 110.1 | L9 T12 I13 L16 I48 L66 L349 V350 C355 L356 A357 | L9-I353 HydrophobicContact CD1-CB 4.3Å; L9-I353 HydrophobicContact CD1-CG1 4.39Å; L9-I353 HydrophobicContact CD1-CG2 3.93Å; T12-I353 HydrophobicContact CG2-CD1 4.31Å; T12-I353 HydrophobicContact CG2-CG1 3.62Å; I13-I353 HydrophobicContact CG1-CD1 3.88Å; I13-I353 HydrophobicContact CG1-CG1 4.03Å; I13-I353 HydrophobicContact CG1-CG2 4.4Å; L16-I353 HydrophobicContact CB-CD1 4.29Å; L16-I353 HydrophobicContact CD2-CD1 3.63Å; I48-I353 HydrophobicContact CD1-CG2 4.27Å; I48-I353 HydrophobicContact CG2-CG2 4.28Å; L66-I353 HydrophobicContact CD2-CG2 3.83Å; L349-I353 VanDerWaalsContact O-CG1 3.31Å; L349-I353 WeakPolarHBondContact O-CG1 3.26Å; L349-I353 PolarHBondContact O-N 3.02Å; V350-I353 PolarHBondContact O-N 2.76Å; I353-C355 VanDerWaalsContact C-N 3.32Å; I353-C355 PolarHBondContact O-N 3.4Å; I353-L356 PolarHBondContact O-N 2.6Å; I353-A357 WeakPolarHBondContact O-CB 3.29Å; I353-A357 PolarHBondContact O-N 3.23Å |
| 354 | R | 91.6 | Very high | 89.9 | Confident | 44 Ų | 44 | 21.9 Ų | 21.9 | 17% | 0.166 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.6 | -48 | 176 | -177 | 169.8 | 179.5 | 100.5 | 6.6 | 111.3 | I48 E51 Y106 V350 C351 Y352 A357 M358 | I48-R354 HydrophobicContact CD1-CB 3.66Å; I48-R354 HydrophobicContact CD1-CG 4.37Å; I48-R354 HydrophobicContact CG1-CB 3.71Å; I48-R354 HydrophobicContact CG1-CG 3.88Å; E51-R354 IonicContact OE1-CZ 3.97Å; E51-R354 IonicContact OE1-NH1 3.07Å; E51-R354 PolarHBondContact OE1-NH1 3.4Å; E51-R354 IonicContact OE1-NH2 2.92Å; E51-R354 PolarHBondContact OE1-NH2 3.2Å; E51-R354 IonicContact OE2-CZ 3.1Å; E51-R354 IonicContact OE2-NE 2.84Å; E51-R354 IonicContact OE2-NH1 3.85Å; E51-R354 PolarHBondContact OE2-NH1 2.64Å; E51-R354 IonicContact OE2-NH2 3.3Å; E51-R354 PolarHBondContact OE2-NH2 3.37Å; Y106-R354 VanDerWaalsContact CD1-NH1 3.3Å; V350-R354 PolarHBondContact O-N 3.32Å; C351-R354 PolarHBondContact O-N 3.33Å; Y352-R354 VanDerWaalsContact C-N 3.33Å; Y352-R354 PolarHBondContact O-N 3.01Å; R354-A357 PolarHBondContact O-N 2.86Å; R354-M358 WeakPolarHBondContact O-CB 3.17Å; R354-M358 WeakPolarHBondContact O-CG 3.39Å; R354-M358 PolarHBondContact O-N 3.38Å |
| 355 | C | 90.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.5 | -47.4 | -178.1 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | L304 C351 Y352 I353 M358 A359 D360 C361 | L304-C355 HydrophobicContact CB-CB 4.5Å; L304-C355 HydrophobicContact CD1-CB 3.76Å; C351-C355 WeakPolarHBondContact O-CB 3.47Å; C351-C355 PolarHBondContact O-N 2.96Å; Y352-C355 WeakPolarHBondContact O-CB 3.25Å; Y352-C355 PolarHBondContact O-N 3.04Å; I353-C355 VanDerWaalsContact C-N 3.32Å; I353-C355 PolarHBondContact O-N 3.4Å; C355-M358 PolarHBondContact O-N 3.29Å; C355-A359 PolarHBondContact O-N 3.39Å; C355-D360 PolarHBondContact O-N 3.26Å; C355-C361 HydrophobicContact CB-CB 4.46Å; C355-C361 WeakPolarHBondContact CB-SG 3.39Å; C355-C361 WeakPolarHBondContact SG-CA 3.42Å; C355-C361 WeakPolarHBondContact SG-CB 3.22Å; C355-C361 PolarHBondContact SG-N 2.89Å; C355-C361 VanDerWaalsContact SG-N 3.44Å; C355-C361 CovalentContact SG-SG 2.03Å; C355-C361 PolarHBondContact SG-SG 3.03Å |
| 356 | L | 91.9 | Very high | 86.9 | Confident | 7 Ų | 7 | 30.7 Ų | 30.7 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.9 | -45.5 | 177.7 | -73.7 | 166.9 | 0 | 0 | 0 | 111.8 | L8 L9 L306 L309 Y352 I353 M358 A359 C361 | L8-L356 HydrophobicContact CB-CD1 4.09Å; L8-L356 HydrophobicContact CB-CD2 4.09Å; L8-L356 HydrophobicContact CD1-CD2 4.26Å; L9-L356 HydrophobicContact CB-CB 4.23Å; L9-L356 HydrophobicContact CB-CD1 4.4Å; L9-L356 HydrophobicContact CD1-CB 4.07Å; L306-L356 HydrophobicContact CD2-CD2 3.62Å; L306-L356 HydrophobicContact CD2-CG 4.47Å; L309-L356 HydrophobicContact CD2-CD1 3.8Å; Y352-L356 WeakPolarHBondContact O-CB 3.34Å; Y352-L356 VanDerWaalsContact O-CG 3.31Å; Y352-L356 WeakPolarHBondContact O-CG 3.19Å; Y352-L356 PolarHBondContact O-N 3.23Å; I353-L356 PolarHBondContact O-N 2.6Å; L356-M358 PolarHBondContact O-N 3.39Å; L356-A359 PolarHBondContact O-N 2.87Å; L356-C361 PolarHBondContact N-SG 3.33Å; L356-C361 VanDerWaalsContact N-SG 3.4Å |
| 357 | A | 89.5 | Confident | 84.9 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 9% | 0.091 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.8 | -32.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L9 I48 L55 L62 I353 R354 | L9-A357 HydrophobicContact CD2-CB 4.38Å; I48-A357 HydrophobicContact CG2-CB 3.78Å; L55-A357 WeakPolarHBondContact CD1-O 3.39Å; L62-A357 HydrophobicContact CD2-CB 4.16Å; I353-A357 WeakPolarHBondContact O-CB 3.29Å; I353-A357 PolarHBondContact O-N 3.23Å; R354-A357 PolarHBondContact O-N 2.86Å |
| 358 | M | 85.8 | Confident | 82.9 | Confident | 57 Ų | 57 | 37.3 Ų | 37.3 | 28% | 0.281 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 3.1 | 179.1 | -60.4 | -57.8 | -70.9 | 0 | 0 | 114.3 | E51 L55 R354 C355 L356 D360 | E51-M358 HydrophobicContact CB-CE 3.9Å; E51-M358 HydrophobicContact CB-SD 3.56Å; E51-M358 VanDerWaalsContact CB-SD 3.56Å; L55-M358 HydrophobicContact CD1-CE 4.48Å; L55-M358 HydrophobicContact CD1-SD 3.8Å; R354-M358 WeakPolarHBondContact O-CB 3.17Å; R354-M358 WeakPolarHBondContact O-CG 3.39Å; R354-M358 PolarHBondContact O-N 3.38Å; C355-M358 PolarHBondContact O-N 3.29Å; L356-M358 PolarHBondContact O-N 3.39Å; M358-D360 HydrophobicContact CB-CB 4.22Å; M358-D360 PolarHBondContact O-N 2.84Å; M358-D360 VanDerWaalsContact O-N 3.16Å |
| 359 | A | 85.5 | Confident | 80.6 | Confident | 78 Ų | 78 | 45.1 Ų | 45.1 | 65% | 0.645 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 38.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C355 L356 | C355-A359 PolarHBondContact O-N 3.39Å; L356-A359 PolarHBondContact O-N 2.87Å |
| 360 | D | 85.8 | Confident | 78.1 | Confident | 59 Ų | 59 | 50 Ų | 50 | 32% | 0.316 | 29% | 0.293 | S | S | . | . | trans | -128.8 | 32.1 | -169.8 | -175.9 | 17.5 | 0 | 0 | 0 | 109.8 | R109 C355 M358 | R109-D360 WeakPolarHBondContact CD-OD2 3.3Å; R109-D360 IonicContact CZ-OD1 3.37Å; R109-D360 IonicContact CZ-OD2 3.08Å; R109-D360 IonicContact NE-OD1 3.45Å; R109-D360 IonicContact NE-OD2 2.98Å; R109-D360 PolarHBondContact NE-OD2 2.79Å; R109-D360 PolarHBondContact NH1-O 3.37Å; R109-D360 IonicContact NH1-OD1 3.3Å; R109-D360 IonicContact NH1-OD2 3.85Å; R109-D360 VanDerWaalsContact NH2-CB 3.27Å; R109-D360 VanDerWaalsContact NH2-CG 3.35Å; R109-D360 PolarHBondContact NH2-O 2.66Å; R109-D360 IonicContact NH2-OD2 3.82Å; R109-D360 PolarHBondContact NH2-OD2 3.47Å; R109-D360 VanDerWaalsContact NH2-OD2 3.13Å; C355-D360 PolarHBondContact O-N 3.26Å; M358-D360 HydrophobicContact CB-CB 4.22Å; M358-D360 PolarHBondContact O-N 2.84Å; M358-D360 VanDerWaalsContact O-N 3.16Å | ||
| 361 | C | 86.6 | Confident | 75.6 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 8% | 0.081 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -79.5 | 150.9 | 168.8 | -64.1 | 0 | 0 | 0 | 0 | 111.6 | L306 C355 L356 T363 | L306-C361 HydrophobicContact CD1-CB 4.18Å; L306-C361 HydrophobicContact CD2-CB 3.39Å; L306-C361 HydrophobicContact CG-CB 3.54Å; C355-C361 HydrophobicContact CB-CB 4.46Å; C355-C361 WeakPolarHBondContact CB-SG 3.39Å; C355-C361 WeakPolarHBondContact SG-CA 3.42Å; C355-C361 WeakPolarHBondContact SG-CB 3.22Å; C355-C361 PolarHBondContact SG-N 2.89Å; C355-C361 VanDerWaalsContact SG-N 3.44Å; C355-C361 CovalentContact SG-SG 2.03Å; C355-C361 PolarHBondContact SG-SG 3.03Å; L356-C361 PolarHBondContact N-SG 3.33Å; L356-C361 VanDerWaalsContact N-SG 3.4Å; C361-T363 PolarHBondContact O-N 2.84Å |
| 362 | D | 84.7 | Confident | 73 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 9% | 0.086 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -70.7 | 108.1 | 172.2 | -175 | 8.7 | 0 | 0 | 0 | 108.1 | E302 L304 R305 L306 T364 | E302-D362 WeakPolarHBondContact CA-OD2 3.35Å; L304-D362 PolarHBondContact O-N 3.23Å; R305-D362 WeakPolarHBondContact CA-O 3.35Å; R305-D362 HydrophobicContact CG-CB 3.81Å; R305-D362 VanDerWaalsContact CG-OD2 3.31Å; R305-D362 WeakPolarHBondContact CG-OD2 3.26Å; R305-D362 IonicContact NE-OD2 2.9Å; R305-D362 PolarHBondContact NE-OD2 3.41Å; L306-D362 PolarHBondContact N-O 2.93Å; D362-T364 VanDerWaalsContact C-N 3.26Å; D362-T364 VanDerWaalsContact OD1-CB 3.31Å; D362-T364 WeakPolarHBondContact OD1-CB 3.48Å; D362-T364 VanDerWaalsContact OD1-CG2 3.28Å; D362-T364 WeakPolarHBondContact OD1-CG2 3.4Å; D362-T364 PolarHBondContact OD1-N 2.58Å; D362-T364 PolarHBondContact OD1-OG1 2.64Å; D362-T364 PolarHBondContact OD2-OG1 3.49Å |
| 363 | T | 81.3 | Confident | 70.3 | Confident | 91 Ų | 91 | 57 Ų | 57 | 56% | 0.558 | 34% | 0.344 | S | S | * | . | trans | -88.8 | 7.7 | 177.9 | 67.1 | 0 | 0 | 0 | 0 | 111.8 | L306 C361 D365 | L306-T363 HydrophobicContact CD1-CG2 3.9Å; C361-T363 PolarHBondContact O-N 2.84Å; T363-D365 PolarHBondContact O-N 3.29Å | ||
| 364 | T | 75.1 | Confident | 67.7 | Low | 69 Ų | 69 | 63.9 Ų | 63.9 | 42% | 0.423 | 37% | 0.371 | S | S | . | . | trans | -64.5 | 104.8 | 176.9 | 54.2 | 0 | 0 | 0 | 0 | 109.8 | D362 G366 | D362-T364 VanDerWaalsContact C-N 3.26Å; D362-T364 VanDerWaalsContact OD1-CB 3.31Å; D362-T364 WeakPolarHBondContact OD1-CB 3.48Å; D362-T364 VanDerWaalsContact OD1-CG2 3.28Å; D362-T364 WeakPolarHBondContact OD1-CG2 3.4Å; D362-T364 PolarHBondContact OD1-N 2.58Å; D362-T364 PolarHBondContact OD1-OG1 2.64Å; D362-T364 PolarHBondContact OD2-OG1 3.49Å; T364-G366 PolarHBondContact O-N 2.92Å | ||
| 365 | D | 63.1 | Low | 65.1 | Low | 146 Ų | 146 | 65.8 Ų | 65.8 | 78% | 0.781 | 38% | 0.384 | S | S | * | . | trans | -76.8 | 100.2 | 164.7 | -72.5 | -26.3 | 0 | 0 | 0 | 107.1 | T363 | T363-D365 PolarHBondContact O-N 3.29Š| ||
| 366 | G | 54.8 | Low | 62.8 | Low | 40 Ų | 40 | 72.9 Ų | 72.9 | 41% | 0.412 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 152.2 | 147.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R305 T364 | R305-G366 PolarHBondContact NH1-O 2.71Å; R305-G366 PolarHBondContact NH2-O 3.34Å; T364-G366 PolarHBondContact O-N 2.92Å |
| 367 | F | 53.3 | Low | 60.9 | Low | 115 Ų | 115 | 80.1 Ų | 80.1 | 50% | 0.504 | 45% | 0.451 | S | S | . | . | trans | -74.1 | 131.8 | 167.2 | -53.5 | -65.7 | 0 | 0 | 0 | 107.1 | E272 V276 | E272-F367 HydrophobicContact CG-CB 4.44Å; E272-F367 HydrophobicContact CG-CD1 4.07Å; E272-F367 WeakPolarHBondContact OE1-CA 3.5Å; V276-F367 HydrophobicContact CB-CD1 4.4Å; V276-F367 HydrophobicContact CB-CE1 4.14Å; V276-F367 HydrophobicContact CB-CZ 4.29Å; V276-F367 HydrophobicContact CG1-CE2 4.33Å; V276-F367 HydrophobicContact CG1-CZ 4.35Å; V276-F367 HydrophobicContact CG2-CB 4.27Å; V276-F367 HydrophobicContact CG2-CD1 3.06Å; V276-F367 HydrophobicContact CG2-CD2 3.99Å; V276-F367 HydrophobicContact CG2-CE1 3.13Å; V276-F367 HydrophobicContact CG2-CE2 4.06Å; V276-F367 HydrophobicContact CG2-CG 3.5Å; V276-F367 VanDerWaalsContact CG2-CG 3.5Å; V276-F367 HydrophobicContact CG2-CZ 3.65Å | ||
| 368 | G | 52.2 | Low | 58.8 | Low | 24 Ų | 24 | 81.4 Ų | 81.4 | 25% | 0.247 | 46% | 0.461 | C | S | . | . | trans | -50.5 | 149.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | E272 P370 | E272-G368 PolarHBondContact OE1-N 2.71Å; G368-P370 VanDerWaalsContact O-N 3.15Å | ||
| 369 | E | 45.9 | Very low | 56.6 | Low | 165 Ų | 165 | 83 Ų | 83 | 77% | 0.771 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -39.7 | 126.2 | -174.9 | -73.6 | -169.5 | 158 | 0 | 0 | 110.9 | A371 | E369-A371 PolarHBondContact O-N 3.07Š|
| 370 | P | 45.1 | Very low | 54.4 | Low | 103 Ų | 103 | 81.6 Ų | 81.6 | 67% | 0.669 | 49% | 0.485 | S | S | * | . | trans | -53.7 | 142.7 | -178.5 | 22.2 | -31.9 | 0 | 0 | 0 | 108.3 | G368 V372 | G368-P370 VanDerWaalsContact O-N 3.15Å; P370-V372 PolarHBondContact O-N 3.47Å | ||
| 371 | A | 42.3 | Very low | 52.3 | Low | 38 Ų | 38 | 83.4 Ų | 83.4 | 31% | 0.314 | 51% | 0.509 | S | S | . | . | trans | -48.3 | 98.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | E369 A373 | E369-A371 PolarHBondContact O-N 3.07Å; A371-A373 PolarHBondContact O-N 3.04Å | ||
| 372 | V | 39.4 | Very low | 50.1 | Low | 75 Ų | 75 | 86.4 Ų | 86.4 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | trans | -71 | 106.7 | 171.7 | -174.3 | 0 | 0 | 0 | 0 | 107.1 | P370 Y374 | P370-V372 PolarHBondContact O-N 3.47Å; V372-Y374 HydrophobicContact CB-CE2 4.45Å; V372-Y374 HydrophobicContact CG1-CE2 4.4Å; V372-Y374 PolarHBondContact O-N 3.49Å | ||
| 373 | A | 37.8 | Very low | 48 | Very low | 46 Ų | 46 | 94.4 Ų | 94.4 | 38% | 0.38 | 57% | 0.567 | S | S | . | * | trans | -71.3 | 117.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | A371 D375 N392 | A371-A373 PolarHBondContact O-N 3.04Å; A373-D375 PolarHBondContact O-N 3.12Å; A373-N392 WeakPolarHBondContact CB-OD1 3.46Å | ||
| 374 | Y | 38.5 | Very low | 46 | Very low | 146 Ų | 146 | 95.3 Ų | 95.3 | 57% | 0.573 | 57% | 0.568 | S | S | * | * | trans | -82.3 | 110.6 | 169.2 | -69.6 | -88.3 | 0 | 0 | 0 | 107.6 | V372 Y376 | V372-Y374 HydrophobicContact CB-CE2 4.45Å; V372-Y374 HydrophobicContact CG1-CE2 4.4Å; V372-Y374 PolarHBondContact O-N 3.49Å; Y374-Y376 HydrophobicContact CG-CE2 4.48Å; Y374-Y376 PolarHBondContact O-N 3.35Å | ||
| 375 | D | 38.7 | Very low | 44.4 | Very low | 84 Ų | 84 | 96.8 Ų | 96.8 | 45% | 0.449 | 57% | 0.573 | S | S | . | * | trans | -76 | 101.2 | 164.3 | -174.2 | -3.9 | 0 | 0 | 0 | 108 | A373 N377 L384 | A373-D375 PolarHBondContact O-N 3.12Å; D375-N377 VanDerWaalsContact C-N 3.28Å; D375-N377 WeakPolarHBondContact OD1-CB 3.41Å; D375-N377 PolarHBondContact OD1-N 3.03Å; D375-L384 HydrophobicContact CB-CD1 4.48Å | ||
| 376 | Y | 42.3 | Very low | 43.6 | Very low | 148 Ų | 148 | 94.4 Ų | 94.4 | 58% | 0.58 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -77.7 | -12.8 | 179.7 | -79.7 | -80.4 | 0 | 0 | 0 | 113.2 | R119 Y374 A378 | R119-Y376 PolarHBondContact NH1-OH 2.06Å; Y374-Y376 HydrophobicContact CG-CE2 4.48Å; Y374-Y376 PolarHBondContact O-N 3.35Å; Y376-A378 VanDerWaalsContact C-N 3.34Å |
| 377 | N | 50.2 | Low | 42.9 | Very low | 160 Ų | 160 | 98.8 Ų | 98.8 | 86% | 0.856 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -76.1 | -28.4 | 176.3 | -69.9 | -21.6 | 0 | 0 | 0 | 111.2 | D375 G379 | D375-N377 VanDerWaalsContact C-N 3.28Å; D375-N377 WeakPolarHBondContact OD1-CB 3.41Å; D375-N377 PolarHBondContact OD1-N 3.03Å; N377-G379 PolarHBondContact O-N 2.78Å |
| 378 | A | 46.4 | Very low | 42 | Very low | 37 Ų | 37 | 97.5 Ų | 97.5 | 31% | 0.306 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -79.5 | 101.1 | 164 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y376 G380 | Y376-A378 VanDerWaalsContact C-N 3.34Å; A378-G380 PolarHBondContact O-N 3.39Å |
| 379 | G | 40.5 | Very low | 41.1 | Very low | 92 Ų | 92 | 104.5 Ų | 104.5 | 95% | 0.948 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -65.4 | 52 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N377 | N377-G379 PolarHBondContact O-N 2.78Š|
| 380 | G | 39.4 | Very low | 40.5 | Very low | 47 Ų | 47 | 104.2 Ų | 104.2 | 49% | 0.485 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -177.8 | 149.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | A378 S382 | A378-G380 PolarHBondContact O-N 3.39Å; G380-S382 PolarHBondContact O-N 2.94Å |
| 381 | A | 41.8 | Very low | 40.1 | Very low | 98 Ų | 98 | 105 Ų | 105 | 81% | 0.81 | 60% | 0.598 | S | S | * | * | trans | -70 | 54.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q383 | A381-Q383 VanDerWaalsContact C-N 3.32Å; A381-Q383 PolarHBondContact O-N 3.49Å | ||
| 382 | S | 40.3 | Very low | 40.1 | Very low | 75 Ų | 75 | 104.2 Ų | 104.2 | 52% | 0.524 | 59% | 0.589 | S | S | . | * | trans | -68.6 | 95.5 | 169.3 | 51.1 | 0 | 0 | 0 | 0 | 107.9 | G380 L384 | G380-S382 PolarHBondContact O-N 2.94Å; S382-L384 PolarHBondContact O-N 2.81Å | ||
| 383 | Q | 39.9 | Very low | 39.8 | Very low | 184 Ų | 184 | 107.8 Ų | 107.8 | 86% | 0.86 | 59% | 0.594 | S | S | * | * | trans | -53.1 | 106.6 | 163 | -163.4 | 175.5 | 18 | 0 | 0 | 106.6 | A381 D385 | A381-Q383 VanDerWaalsContact C-N 3.32Å; A381-Q383 PolarHBondContact O-N 3.49Å; Q383-D385 PolarHBondContact O-N 3.16Å | ||
| 384 | L | 39.8 | Very low | 39.8 | Very low | 109 Ų | 109 | 108.3 Ų | 108.3 | 57% | 0.571 | 59% | 0.593 | S | S | * | * | trans | -60.3 | 133.9 | -178.2 | -90.6 | 117 | 0 | 0 | 0 | 109.7 | D375 S382 | D375-L384 HydrophobicContact CB-CD1 4.48Å; S382-L384 PolarHBondContact O-N 2.81Å | ||
| 385 | D | 41.8 | Very low | 39.7 | Very low | 100 Ų | 100 | 103.9 Ų | 103.9 | 54% | 0.535 | 58% | 0.581 | S | S | . | * | trans | -48.4 | 135.4 | -174.3 | -172.2 | 2.3 | 0 | 0 | 0 | 112.3 | Q383 N387 N388 | Q383-D385 PolarHBondContact O-N 3.16Å; D385-N387 PolarHBondContact O-N 3.33Å; D385-N388 WeakPolarHBondContact O-CB 3.34Å; D385-N388 PolarHBondContact O-N 3.37Å | ||
| 386 | S | 45 | Very low | 39.6 | Very low | 96 Ų | 96 | 104.3 Ų | 104.3 | 67% | 0.671 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.4 | -23.9 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 115.8 | N388 | S386-N388 VanDerWaalsContact C-N 3.32Š|
| 387 | N | 39.8 | Very low | 39.3 | Very low | 133 Ų | 133 | 100 Ų | 100 | 71% | 0.711 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -17.3 | 177.7 | -67.6 | -37.4 | 0 | 0 | 0 | 113.4 | D385 M389 | D385-N387 PolarHBondContact O-N 3.33Å; N387-M389 PolarHBondContact O-N 3.47Å; N387-M389 VanDerWaalsContact O-N 3.16Å |
| 388 | N | 36.1 | Very low | 38.6 | Very low | 88 Ų | 88 | 95 Ų | 95 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | trans | -87.8 | 67.9 | 169.6 | -85.9 | -25.3 | 0 | 0 | 0 | 108.6 | D385 S386 W390 | D385-N388 WeakPolarHBondContact O-CB 3.34Å; D385-N388 PolarHBondContact O-N 3.37Å; S386-N388 VanDerWaalsContact C-N 3.32Å; N388-W390 PolarHBondContact O-N 2.77Å; N388-W390 PolarHBondContact OD1-NE1 2.94Å | ||
| 389 | M | 33.2 | Very low | 38.2 | Very low | 170 Ų | 170 | 97.4 Ų | 97.4 | 84% | 0.837 | 55% | 0.547 | S | S | * | . | trans | -62.6 | 59.3 | 158.9 | -87.1 | -169.8 | -65.8 | 0 | 0 | 110.1 | N387 L391 | N387-M389 PolarHBondContact O-N 3.47Å; N387-M389 VanDerWaalsContact O-N 3.16Å; M389-L391 PolarHBondContact O-N 3.34Å | ||
| 390 | W | 31.9 | Very low | 38.1 | Very low | 160 Ų | 160 | 96.5 Ų | 96.5 | 61% | 0.606 | 52% | 0.518 | S | S | * | . | trans | -87 | 74.9 | 160.1 | -64 | 81.1 | 0 | 0 | 0 | 105 | N388 N392 R393 | N388-W390 PolarHBondContact O-N 2.77Å; N388-W390 PolarHBondContact OD1-NE1 2.94Å; W390-N392 PolarHBondContact O-N 2.89Å; W390-R393 HydrophobicContact CE3-CB 4.07Å; W390-R393 HydrophobicContact CZ3-CB 4.43Å | ||
| 391 | L | 36.7 | Very low | 37.8 | Very low | 118 Ų | 118 | 96.2 Ų | 96.2 | 62% | 0.618 | 51% | 0.511 | S | S | * | . | trans | -63.2 | 88.3 | 162.1 | -122.4 | 150.7 | 0 | 0 | 0 | 105.6 | M389 R393 | M389-L391 PolarHBondContact O-N 3.34Å; L391-R393 VanDerWaalsContact C-N 3.32Å; L391-R393 PolarHBondContact O-N 3.28Å | ||
| 392 | N | 42 | Very low | 37.5 | Very low | 22 Ų | 22 | 95 Ų | 95 | 12% | 0.118 | 49% | 0.49 | C | S | . | . | trans | 16.7 | 72.9 | 178.2 | -90.4 | -41.5 | 0 | 0 | 0 | 112.5 | A373 W390 T394 V395 L396 | A373-N392 WeakPolarHBondContact CB-OD1 3.46Å; W390-N392 PolarHBondContact O-N 2.89Å; N392-T394 PolarHBondContact O-N 3.29Å; N392-T394 PolarHBondContact OD1-OG1 3.4Å; N392-V395 HydrophobicContact CB-CB 3.66Å; N392-V395 HydrophobicContact CB-CG2 3.63Å; N392-V395 PolarHBondContact O-N 3Å; N392-L396 PolarHBondContact O-N 3.35Å | ||
| 393 | R | 33.7 | Very low | 37.1 | Very low | 150 Ų | 150 | 93.5 Ų | 93.5 | 57% | 0.566 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -48.4 | -28.5 | 159.5 | -150.3 | -174.7 | -176.1 | 166.6 | 4.1 | 108.5 | W390 L391 L396 E397 | W390-R393 HydrophobicContact CE3-CB 4.07Å; W390-R393 HydrophobicContact CZ3-CB 4.43Å; L391-R393 VanDerWaalsContact C-N 3.32Å; L391-R393 PolarHBondContact O-N 3.28Å; R393-L396 CarbonylContact O-C 3.13Å; R393-E397 WeakPolarHBondContact CD-OE1 3.1Å; R393-E397 HydrophobicContact CG-CG 4.11Å; R393-E397 VanDerWaalsContact CG-OE1 3.3Å; R393-E397 WeakPolarHBondContact CG-OE1 3.49Å; R393-E397 IonicContact NE-OE1 2.68Å; R393-E397 PolarHBondContact NE-OE1 3.2Å; R393-E397 WeakPolarHBondContact O-CA 3.39Å; R393-E397 WeakPolarHBondContact O-CB 3.47Å; R393-E397 VanDerWaalsContact O-CD 3.27Å; R393-E397 WeakPolarHBondContact O-CG 3.35Å; R393-E397 PolarHBondContact O-N 3.42Å |
| 394 | T | 38.6 | Very low | 36.6 | Very low | 58 Ų | 58 | 91.5 Ų | 91.5 | 36% | 0.356 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -74.4 | -26.3 | 170.9 | 50.7 | 0 | 0 | 0 | 0 | 118 | N392 E397 Q398 | N392-T394 PolarHBondContact O-N 3.29Å; N392-T394 PolarHBondContact OD1-OG1 3.4Å; T394-E397 CarbonylContact O-C 3.46Å; T394-Q398 VanDerWaalsContact O-CA 3.31Å; T394-Q398 WeakPolarHBondContact O-CA 3.29Å; T394-Q398 WeakPolarHBondContact O-CB 3.34Å; T394-Q398 WeakPolarHBondContact O-CG 3.37Å; T394-Q398 PolarHBondContact O-N 3.18Å |
| 395 | V | 35.3 | Very low | 36 | Very low | 53 Ų | 53 | 90 Ų | 90 | 32% | 0.321 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -85.5 | -38 | 173 | 172.7 | 0 | 0 | 0 | 0 | 109.1 | N392 Q398 L399 | N392-V395 HydrophobicContact CB-CB 3.66Å; N392-V395 HydrophobicContact CB-CG2 3.63Å; N392-V395 PolarHBondContact O-N 3Å; V395-Q398 PolarHBondContact O-N 2.95Å; V395-L399 HydrophobicContact CG1-CD1 4.36Å; V395-L399 WeakPolarHBondContact O-CB 3.35Å; V395-L399 WeakPolarHBondContact O-CG 3.47Å; V395-L399 PolarHBondContact O-N 3.36Å |
| 396 | L | 36.2 | Very low | 35.2 | Very low | 92 Ų | 92 | 94 Ų | 94 | 48% | 0.482 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.4 | -36.1 | 166.7 | -101.3 | 157.7 | 0 | 0 | 0 | 111.3 | N392 R393 Q398 L399 E400 | N392-L396 PolarHBondContact O-N 3.35Å; R393-L396 CarbonylContact O-C 3.13Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; L396-L399 CarbonylContact O-C 3.09Å; L396-E400 WeakPolarHBondContact O-CA 3.45Å; L396-E400 WeakPolarHBondContact O-CB 3.47Å; L396-E400 PolarHBondContact O-N 2.95Å |
| 397 | E | 36.9 | Very low | 34.3 | Very low | 59 Ų | 59 | 92.1 Ų | 92.1 | 28% | 0.276 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -80.7 | -6.8 | 169.8 | -73.5 | 162.1 | 172.7 | 0 | 0 | 111.3 | R393 T394 E400 A401 | R393-E397 WeakPolarHBondContact CD-OE1 3.1Å; R393-E397 HydrophobicContact CG-CG 4.11Å; R393-E397 VanDerWaalsContact CG-OE1 3.3Å; R393-E397 WeakPolarHBondContact CG-OE1 3.49Å; R393-E397 IonicContact NE-OE1 2.68Å; R393-E397 PolarHBondContact NE-OE1 3.2Å; R393-E397 WeakPolarHBondContact O-CA 3.39Å; R393-E397 WeakPolarHBondContact O-CB 3.47Å; R393-E397 VanDerWaalsContact O-CD 3.27Å; R393-E397 WeakPolarHBondContact O-CG 3.35Å; R393-E397 PolarHBondContact O-N 3.42Å; T394-E397 CarbonylContact O-C 3.46Å; E397-E400 CarbonylContact O-C 3.5Å; E397-A401 WeakPolarHBondContact O-CA 3.42Å; E397-A401 WeakPolarHBondContact O-CB 3.14Å; E397-A401 PolarHBondContact O-N 3.32Å |
| 398 | Q | 36 | Very low | 33.7 | Very low | 53 Ų | 53 | 97.4 Ų | 97.4 | 25% | 0.248 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -96.6 | -36.2 | 167.8 | -86.9 | 176.9 | 5 | 0 | 0 | 109.5 | M120 T394 V395 L396 A401 I402 | M120-Q398 PolarHBondContact SD-NE2 3.45Å; T394-Q398 VanDerWaalsContact O-CA 3.31Å; T394-Q398 WeakPolarHBondContact O-CA 3.29Å; T394-Q398 WeakPolarHBondContact O-CB 3.34Å; T394-Q398 WeakPolarHBondContact O-CG 3.37Å; T394-Q398 PolarHBondContact O-N 3.18Å; V395-Q398 PolarHBondContact O-N 2.95Å; L396-Q398 VanDerWaalsContact C-N 3.33Å; Q398-A401 PolarHBondContact O-N 3.29Å; Q398-I402 WeakPolarHBondContact O-CA 3.43Å; Q398-I402 WeakPolarHBondContact O-CB 3.41Å; Q398-I402 WeakPolarHBondContact O-CD1 3.45Å; Q398-I402 WeakPolarHBondContact O-CG1 3.48Å; Q398-I402 PolarHBondContact O-N 3.13Å |
| 399 | L | 38.1 | Very low | 33.3 | Very low | 89 Ų | 89 | 101 Ų | 101 | 47% | 0.466 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.2 | -34.8 | 162.6 | -74.3 | 166.7 | 0 | 0 | 0 | 110.2 | V395 L396 I402 S403 | V395-L399 HydrophobicContact CG1-CD1 4.36Å; V395-L399 WeakPolarHBondContact O-CB 3.35Å; V395-L399 WeakPolarHBondContact O-CG 3.47Å; V395-L399 PolarHBondContact O-N 3.36Å; L396-L399 CarbonylContact O-C 3.09Å; L399-I402 CarbonylContact O-C 3.59Å; L399-S403 VanDerWaalsContact O-CB 3.26Å; L399-S403 WeakPolarHBondContact O-CB 3.09Å; L399-S403 PolarHBondContact O-N 3.16Å |
| 400 | E | 37.4 | Very low | 32.9 | Very low | 73 Ų | 73 | 96.5 Ų | 96.5 | 34% | 0.341 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -87.1 | -19.1 | 176.2 | -171.1 | -171.6 | -168.5 | 0 | 0 | 111.6 | L396 E397 S403 R404 | L396-E400 WeakPolarHBondContact O-CA 3.45Å; L396-E400 WeakPolarHBondContact O-CB 3.47Å; L396-E400 PolarHBondContact O-N 2.95Å; E397-E400 CarbonylContact O-C 3.5Å; E400-S403 WeakPolarHBondContact CA-OG 3.28Å; E400-S403 WeakPolarHBondContact CG-OG 3.31Å; E400-S403 CarbonylContact O-C 3.55Å; E400-S403 PolarHBondContact O-N 3.37Å; E400-S403 PolarHBondContact O-OG 3.33Å; E400-R404 HydrophobicContact CG-CG 3.88Å; E400-R404 VanDerWaalsContact O-CA 3.26Å; E400-R404 WeakPolarHBondContact O-CA 3.45Å; E400-R404 WeakPolarHBondContact O-CB 3.4Å; E400-R404 WeakPolarHBondContact O-CD 3.25Å; E400-R404 WeakPolarHBondContact O-CG 3.23Å; E400-R404 PolarHBondContact O-N 3Å; E400-R404 IonicContact OE1-CZ 3.81Å; E400-R404 IonicContact OE1-NE 3.51Å; E400-R404 PolarHBondContact OE1-NE 3.35Å; E400-R404 IonicContact OE1-NH2 3.82Å; E400-R404 PolarHBondContact OE1-NH2 2.92Å; E400-R404 IonicContact OE2-CZ 2.72Å; E400-R404 IonicContact OE2-NE 3.3Å; E400-R404 IonicContact OE2-NH2 2.97Å; E400-R404 PolarHBondContact OE2-NH2 2.87Å; E400-R404 VanDerWaalsContact OE2-NH2 3.07Å |
| 401 | A | 33.8 | Very low | 32.8 | Very low | 41 Ų | 41 | 97.5 Ų | 97.5 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -86.5 | -27.2 | 165 | 0 | 0 | 0 | 0 | 0 | 110.5 | E397 Q398 R404 M405 | E397-A401 WeakPolarHBondContact O-CA 3.42Å; E397-A401 WeakPolarHBondContact O-CB 3.14Å; E397-A401 PolarHBondContact O-N 3.32Å; Q398-A401 PolarHBondContact O-N 3.29Å; A401-R404 CarbonylContact O-C 3.27Å; A401-M405 VanDerWaalsContact O-CA 3.3Å; A401-M405 WeakPolarHBondContact O-CA 3.5Å; A401-M405 WeakPolarHBondContact O-CB 3.16Å; A401-M405 WeakPolarHBondContact O-CG 3.48Å; A401-M405 PolarHBondContact O-N 3.41Å |
| 402 | I | 34.7 | Very low | 32.6 | Very low | 71 Ų | 71 | 97.8 Ų | 97.8 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.6 | -29.4 | 162.3 | -70.1 | 162.9 | 0 | 0 | 0 | 108.8 | Q398 L399 T416 | Q398-I402 WeakPolarHBondContact O-CA 3.43Å; Q398-I402 WeakPolarHBondContact O-CB 3.41Å; Q398-I402 WeakPolarHBondContact O-CD1 3.45Å; Q398-I402 WeakPolarHBondContact O-CG1 3.48Å; Q398-I402 PolarHBondContact O-N 3.13Å; L399-I402 CarbonylContact O-C 3.59Å; I402-T416 HydrophobicContact CG2-CG2 3.85Å |
| 403 | S | 32.7 | Very low | 32.5 | Very low | 44 Ų | 44 | 98.4 Ų | 98.4 | 31% | 0.308 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -85.2 | -28.7 | 171.1 | 89.6 | 0 | 0 | 0 | 0 | 115.3 | L399 E400 L412 | L399-S403 VanDerWaalsContact O-CB 3.26Å; L399-S403 WeakPolarHBondContact O-CB 3.09Å; L399-S403 PolarHBondContact O-N 3.16Å; E400-S403 WeakPolarHBondContact CA-OG 3.28Å; E400-S403 WeakPolarHBondContact CG-OG 3.31Å; E400-S403 CarbonylContact O-C 3.55Å; E400-S403 PolarHBondContact O-N 3.37Å; E400-S403 PolarHBondContact O-OG 3.33Å; S403-L412 VanDerWaalsContact CB-CG 3.48Å |
| 404 | R | 28.6 | Very low | 32.8 | Very low | 142 Ų | 142 | 94.5 Ų | 94.5 | 54% | 0.536 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -97.6 | 2.6 | 177.9 | -70.2 | 169.7 | -177.8 | 173.7 | 5.2 | 110.6 | E400 A401 Q406 | E400-R404 HydrophobicContact CG-CG 3.88Å; E400-R404 VanDerWaalsContact O-CA 3.26Å; E400-R404 WeakPolarHBondContact O-CA 3.45Å; E400-R404 WeakPolarHBondContact O-CB 3.4Å; E400-R404 WeakPolarHBondContact O-CD 3.25Å; E400-R404 WeakPolarHBondContact O-CG 3.23Å; E400-R404 PolarHBondContact O-N 3Å; E400-R404 IonicContact OE1-CZ 3.81Å; E400-R404 IonicContact OE1-NE 3.51Å; E400-R404 PolarHBondContact OE1-NE 3.35Å; E400-R404 IonicContact OE1-NH2 3.82Å; E400-R404 PolarHBondContact OE1-NH2 2.92Å; E400-R404 IonicContact OE2-CZ 2.72Å; E400-R404 IonicContact OE2-NE 3.3Å; E400-R404 IonicContact OE2-NH2 2.97Å; E400-R404 PolarHBondContact OE2-NH2 2.87Å; E400-R404 VanDerWaalsContact OE2-NH2 3.07Å; A401-R404 CarbonylContact O-C 3.27Å; R404-Q406 WeakPolarHBondContact O-CG 3.17Å; R404-Q406 PolarHBondContact O-N 3.19Å |
| 405 | M | 27.2 | Very low | 32.6 | Very low | 77 Ų | 77 | 94 Ų | 94 | 38% | 0.379 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -59.6 | 93.9 | 161.4 | -99.6 | 176.5 | -157.6 | 0 | 0 | 103.7 | L126 A401 V407 | L126-M405 HydrophobicContact CB-CE 3.57Å; L126-M405 HydrophobicContact CD1-CE 4.14Å; L126-M405 HydrophobicContact CD2-CE 3.46Å; L126-M405 VanDerWaalsContact CD2-CE 3.46Å; L126-M405 HydrophobicContact CG-CE 3.88Å; A401-M405 VanDerWaalsContact O-CA 3.3Å; A401-M405 WeakPolarHBondContact O-CA 3.5Å; A401-M405 WeakPolarHBondContact O-CB 3.16Å; A401-M405 WeakPolarHBondContact O-CG 3.48Å; A401-M405 PolarHBondContact O-N 3.41Å; M405-V407 PolarHBondContact O-N 2.99Å |
| 406 | Q | 25.2 | Very low | 32.9 | Very low | 184 Ų | 184 | 95 Ų | 95 | 86% | 0.86 | 49% | 0.486 | S | S | * | . | trans | -67.9 | 43.4 | -173.7 | -78.6 | -176.2 | -14.6 | 0 | 0 | 111.1 | R404 R408 | R404-Q406 WeakPolarHBondContact O-CG 3.17Å; R404-Q406 PolarHBondContact O-N 3.19Å; Q406-R408 PolarHBondContact O-N 3.1Å | ||
| 407 | V | 27 | Very low | 33.2 | Very low | 57 Ų | 57 | 92.5 Ų | 92.5 | 35% | 0.345 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -65.9 | 111.1 | 146.9 | -161.9 | 0 | 0 | 0 | 0 | 103.9 | K129 M405 F409 | K129-V407 HydrophobicContact CD-CG2 4.4Å; M405-V407 PolarHBondContact O-N 2.99Å; V407-F409 HydrophobicContact CB-CD2 4.08Å; V407-F409 HydrophobicContact CB-CE2 4.49Å; V407-F409 HydrophobicContact CG1-CD2 3.46Å; V407-F409 VanDerWaalsContact CG1-CD2 3.46Å; V407-F409 HydrophobicContact CG1-CE2 3.42Å; V407-F409 VanDerWaalsContact CG1-CE2 3.42Å; V407-F409 PolarHBondContact O-N 3.48Å |
| 408 | R | 26.2 | Very low | 33.5 | Very low | 245 Ų | 245 | 91.4 Ų | 91.4 | 93% | 0.925 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -57.2 | 68.6 | -178.5 | -74.6 | -178.6 | 175.7 | 170.6 | -3.4 | 112.5 | Q406 | Q406-R408 PolarHBondContact O-N 3.1Š|
| 409 | F | 27.2 | Very low | 33.7 | Very low | 163 Ų | 163 | 92 Ų | 92 | 72% | 0.715 | 47% | 0.467 | S | S | * | . | trans | -121.3 | 86.8 | 167 | -68.5 | -65.4 | 0 | 0 | 0 | 104.6 | V407 H411 | V407-F409 HydrophobicContact CB-CD2 4.08Å; V407-F409 HydrophobicContact CB-CE2 4.49Å; V407-F409 HydrophobicContact CG1-CD2 3.46Å; V407-F409 VanDerWaalsContact CG1-CD2 3.46Å; V407-F409 HydrophobicContact CG1-CE2 3.42Å; V407-F409 VanDerWaalsContact CG1-CE2 3.42Å; V407-F409 PolarHBondContact O-N 3.48Å; F409-H411 PolarHBondContact O-N 2.87Å | ||
| 410 | G | 24.7 | Very low | 34.2 | Very low | 76 Ų | 76 | 89.9 Ų | 89.9 | 78% | 0.784 | 45% | 0.453 | S | S | * | . | trans | -56.1 | 133.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 411 | H | 31.1 | Very low | 34.6 | Very low | 180 Ų | 180 | 86.8 Ų | 86.8 | 83% | 0.833 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 70 | 116.6 | -168.9 | -77.4 | -84.2 | 0 | 0 | 0 | 114.4 | F409 S413 | F409-H411 PolarHBondContact O-N 2.87Å; H411-S413 PolarHBondContact O-N 3.19Å |
| 412 | L | 32.7 | Very low | 35.2 | Very low | 125 Ų | 125 | 85.1 Ų | 85.1 | 65% | 0.654 | 43% | 0.425 | S | S | * | . | trans | -39.5 | 91.2 | 159.2 | -94.3 | 138.1 | 0 | 0 | 0 | 108.9 | S403 | S403-L412 VanDerWaalsContact CB-CG 3.48Š| ||
| 413 | S | 40.1 | Very low | 35.9 | Very low | 35 Ų | 35 | 83.9 Ų | 83.9 | 25% | 0.245 | 43% | 0.425 | C | S | . | . | trans | -74.5 | 143.3 | 168.7 | 58.9 | 0 | 0 | 0 | 0 | 105.8 | H411 V415 | H411-S413 PolarHBondContact O-N 3.19Å; S413-V415 PolarHBondContact O-N 2.83Å; S413-V415 WeakPolarHBondContact OG-CB 3.17Å; S413-V415 WeakPolarHBondContact OG-CG2 2.91Å | ||
| 414 | D | 39.3 | Very low | 36.6 | Very low | 67 Ų | 67 | 82.2 Ų | 82.2 | 36% | 0.358 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | 2.7 | 169.7 | -60 | -83.2 | 0 | 0 | 0 | 114.8 | F205 Y418 | F205-D414 HydrophobicContact CD1-CB 3.14Å; F205-D414 WeakPolarHBondContact CD1-OD2 3.47Å; F205-D414 HydrophobicContact CE1-CB 3.13Å; F205-D414 HydrophobicContact CG-CB 3.92Å; F205-D414 HydrophobicContact CZ-CB 3.96Å; D414-Y418 WeakPolarHBondContact O-CA 3.44Å; D414-Y418 WeakPolarHBondContact O-CB 3.45Å; D414-Y418 PolarHBondContact O-N 3.46Å |
| 415 | V | 35.1 | Very low | 37.5 | Very low | 48 Ų | 48 | 75.6 Ų | 75.6 | 29% | 0.291 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.1 | -47.7 | 176 | 176.6 | 0 | 0 | 0 | 0 | 113.1 | S413 L417 Y418 W419 | S413-V415 PolarHBondContact O-N 2.83Å; S413-V415 WeakPolarHBondContact OG-CB 3.17Å; S413-V415 WeakPolarHBondContact OG-CG2 2.91Å; V415-L417 VanDerWaalsContact C-N 3.31Å; V415-L417 PolarHBondContact O-N 3.4Å; V415-Y418 CarbonylContact O-C 3.54Å; V415-Y418 WeakPolarHBondContact O-CB 3.13Å; V415-Y418 PolarHBondContact O-N 2.91Å; V415-W419 PolarHBondContact O-N 3.24Å |
| 416 | T | 40.4 | Very low | 38.4 | Very low | 75 Ų | 75 | 73.8 Ų | 73.8 | 46% | 0.46 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.8 | -35.7 | -178.9 | -43.8 | 0 | 0 | 0 | 0 | 112.1 | I402 W419 F420 | I402-T416 HydrophobicContact CG2-CG2 3.85Å; T416-W419 WeakPolarHBondContact O-CB 3.37Å; T416-W419 PolarHBondContact O-N 3.27Å; T416-F420 PolarHBondContact O-N 3.38Å |
| 417 | L | 43.6 | Very low | 39.4 | Very low | 38 Ų | 38 | 65.3 Ų | 65.3 | 20% | 0.199 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.3 | -41.1 | 173.7 | -178.4 | 63.8 | 0 | 0 | 0 | 111.2 | L287 M291 V415 W419 F420 V421 | L287-L417 HydrophobicContact CB-CD2 4.31Å; L287-L417 HydrophobicContact CD1-CD1 3.69Å; L287-L417 HydrophobicContact CD1-CD2 3.38Å; L287-L417 HydrophobicContact CD1-CG 3.48Å; L287-L417 VanDerWaalsContact CD1-CG 3.48Å; L287-L417 HydrophobicContact CD2-CD1 3.54Å; L287-L417 HydrophobicContact CD2-CD2 3.07Å; L287-L417 HydrophobicContact CD2-CG 3.75Å; L287-L417 HydrophobicContact CG-CD1 4.05Å; L287-L417 HydrophobicContact CG-CD2 3.61Å; L287-L417 HydrophobicContact CG-CG 4.09Å; M291-L417 HydrophobicContact CE-CD1 3.64Å; V415-L417 VanDerWaalsContact C-N 3.31Å; V415-L417 PolarHBondContact O-N 3.4Å; L417-W419 VanDerWaalsContact C-N 3.31Å; L417-W419 PolarHBondContact O-N 2.91Å; L417-F420 CarbonylContact O-C 3.6Å; L417-F420 WeakPolarHBondContact O-CA 3.43Å; L417-F420 WeakPolarHBondContact O-CB 3.5Å; L417-F420 PolarHBondContact O-N 3.37Å; L417-V421 VanDerWaalsContact O-CG2 3.32Å; L417-V421 WeakPolarHBondContact O-CG2 3.19Å; L417-V421 PolarHBondContact O-N 2.8Å |
| 418 | Y | 42 | Very low | 40.3 | Very low | 36 Ų | 36 | 63.1 Ų | 63.1 | 14% | 0.141 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 169.6 | 175 | -95.2 | 0 | 0 | 0 | 109.9 | T138 I197 D414 V415 F420 V421 L422 | T138-Y418 PolarHBondContact OG1-OH 3.13Å; I197-Y418 HydrophobicContact CG2-CD2 3.77Å; I197-Y418 HydrophobicContact CG2-CE2 3.44Å; I197-Y418 VanDerWaalsContact CG2-CE2 3.44Å; D414-Y418 WeakPolarHBondContact O-CA 3.44Å; D414-Y418 WeakPolarHBondContact O-CB 3.45Å; D414-Y418 PolarHBondContact O-N 3.46Å; V415-Y418 CarbonylContact O-C 3.54Å; V415-Y418 WeakPolarHBondContact O-CB 3.13Å; V415-Y418 PolarHBondContact O-N 2.91Å; Y418-F420 VanDerWaalsContact C-N 3.26Å; Y418-F420 PolarHBondContact O-N 2.9Å; Y418-V421 PolarHBondContact O-N 3.47Å; Y418-L422 HydrophobicContact CD1-CD2 4.19Å; Y418-L422 HydrophobicContact CE1-CD2 3.61Å; Y418-L422 HydrophobicContact CE1-CG 4.5Å; Y418-L422 WeakPolarHBondContact O-CA 3.49Å; Y418-L422 WeakPolarHBondContact O-CB 3.46Å; Y418-L422 PolarHBondContact O-N 3.24Å |
| 419 | W | 40.8 | Very low | 41.3 | Very low | 67 Ų | 67 | 52.1 Ų | 52.1 | 25% | 0.254 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.1 | -40.8 | 172.5 | -77.8 | 111.7 | 0 | 0 | 0 | 111.8 | T132 G134 L137 V415 T416 L417 A423 | T132-W419 WeakPolarHBondContact O-CH2 3.5Å; T132-W419 WeakPolarHBondContact O-CZ2 3.44Å; G134-W419 VanDerWaalsContact CA-CZ2 3.44Å; L137-W419 HydrophobicContact CB-CH2 3.74Å; L137-W419 HydrophobicContact CB-CZ3 3.83Å; L137-W419 HydrophobicContact CD2-CE3 3.6Å; L137-W419 HydrophobicContact CD2-CH2 3.97Å; L137-W419 HydrophobicContact CD2-CZ3 3.13Å; L137-W419 HydrophobicContact CG-CH2 4.45Å; L137-W419 HydrophobicContact CG-CZ3 4.02Å; V415-W419 PolarHBondContact O-N 3.24Å; T416-W419 WeakPolarHBondContact O-CB 3.37Å; T416-W419 PolarHBondContact O-N 3.27Å; L417-W419 VanDerWaalsContact C-N 3.31Å; L417-W419 PolarHBondContact O-N 2.91Å; W419-A423 WeakPolarHBondContact O-CB 3.43Å; W419-A423 PolarHBondContact O-N 3.42Å |
| 420 | F | 47.7 | Very low | 42.1 | Very low | 43 Ų | 43 | 45.1 Ų | 45.1 | 19% | 0.189 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.5 | -46.6 | 178.9 | -159.6 | -63.4 | 0 | 0 | 0 | 111.6 | W118 L263 L267 T416 L417 Y418 L422 A423 A424 | W118-F420 HydrophobicContact CH2-CD2 4.07Å; W118-F420 AromaticContact CH2-CE2 3.16Å; W118-F420 HydrophobicContact CH2-CE2 3.16Å; W118-F420 AromaticContact CH2-CZ 3.72Å; W118-F420 HydrophobicContact CH2-CZ 3.72Å; W118-F420 HydrophobicContact CZ2-CE2 4.08Å; W118-F420 HydrophobicContact CZ2-CZ 4.22Å; W118-F420 AromaticContact CZ3-CE2 3.6Å; W118-F420 HydrophobicContact CZ3-CE2 3.6Å; W118-F420 HydrophobicContact CZ3-CZ 4.3Å; L263-F420 HydrophobicContact CD1-CD1 3.94Å; L263-F420 HydrophobicContact CD1-CE1 3.14Å; L263-F420 HydrophobicContact CD1-CE2 4.41Å; L263-F420 HydrophobicContact CD1-CZ 3.46Å; L263-F420 VanDerWaalsContact CD1-CZ 3.46Å; L263-F420 HydrophobicContact CD2-CE1 4.49Å; L263-F420 HydrophobicContact CG-CE1 3.71Å; L263-F420 HydrophobicContact CG-CZ 4.27Å; L267-F420 HydrophobicContact CD1-CD1 4.3Å; L267-F420 HydrophobicContact CD1-CE1 3.81Å; L267-F420 HydrophobicContact CD2-CD1 3.51Å; L267-F420 HydrophobicContact CD2-CE1 3.17Å; L267-F420 HydrophobicContact CD2-CG 4.47Å; L267-F420 HydrophobicContact CD2-CZ 3.84Å; L267-F420 HydrophobicContact CG-CD1 4.03Å; L267-F420 HydrophobicContact CG-CE1 3.29Å; L267-F420 HydrophobicContact CG-CZ 3.96Å; T416-F420 PolarHBondContact O-N 3.38Å; L417-F420 CarbonylContact O-C 3.6Å; L417-F420 WeakPolarHBondContact O-CA 3.43Å; L417-F420 WeakPolarHBondContact O-CB 3.5Å; L417-F420 PolarHBondContact O-N 3.37Å; Y418-F420 VanDerWaalsContact C-N 3.26Å; Y418-F420 PolarHBondContact O-N 2.9Å; F420-L422 VanDerWaalsContact C-N 3.32Å; F420-A423 WeakPolarHBondContact O-CB 3.33Å; F420-A423 PolarHBondContact O-N 2.86Å; F420-A424 WeakPolarHBondContact O-CB 3.42Å; F420-A424 PolarHBondContact O-N 3.38Å |
| 421 | V | 46.2 | Very low | 43 | Very low | 9 Ų | 9 | 41.6 Ų | 41.6 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.1 | -32.5 | 178.5 | -166.2 | 0 | 0 | 0 | 0 | 110.8 | I197 L287 L417 Y418 A424 L425 | I197-V421 HydrophobicContact CD1-CB 4.05Å; I197-V421 HydrophobicContact CD1-CG1 3.1Å; L287-V421 HydrophobicContact CD1-CG2 4.09Å; L417-V421 VanDerWaalsContact O-CG2 3.32Å; L417-V421 WeakPolarHBondContact O-CG2 3.19Å; L417-V421 PolarHBondContact O-N 2.8Å; Y418-V421 PolarHBondContact O-N 3.47Å; V421-A424 CarbonylContact O-C 3.57Å; V421-A424 VanDerWaalsContact O-CB 3.32Å; V421-A424 WeakPolarHBondContact O-CB 3.22Å; V421-A424 PolarHBondContact O-N 2.64Å; V421-L425 VanDerWaalsContact O-CB 3.27Å; V421-L425 WeakPolarHBondContact O-CB 3.39Å; V421-L425 VanDerWaalsContact O-CG 3.31Å; V421-L425 WeakPolarHBondContact O-CG 3.21Å; V421-L425 PolarHBondContact O-N 3.33Å |
| 422 | L | 47.5 | Very low | 43.7 | Very low | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.026 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.7 | -38.6 | 173.7 | -167.9 | 69 | 0 | 0 | 0 | 111.4 | L137 I141 Y418 F420 L425 L426 | L137-L422 HydrophobicContact CD2-CD2 3.33Å; L137-L422 HydrophobicContact CD2-CG 4.15Å; L137-L422 HydrophobicContact CG-CD2 3.9Å; I141-L422 HydrophobicContact CD1-CD1 3.28Å; I141-L422 HydrophobicContact CD1-CD2 3.57Å; I141-L422 HydrophobicContact CD1-CG 3.34Å; Y418-L422 HydrophobicContact CD1-CD2 4.19Å; Y418-L422 HydrophobicContact CE1-CD2 3.61Å; Y418-L422 HydrophobicContact CE1-CG 4.5Å; Y418-L422 WeakPolarHBondContact O-CA 3.49Å; Y418-L422 WeakPolarHBondContact O-CB 3.46Å; Y418-L422 PolarHBondContact O-N 3.24Å; F420-L422 VanDerWaalsContact C-N 3.32Å; L422-L425 HydrophobicContact CD1-CD1 4.43Å; L422-L425 WeakPolarHBondContact O-CB 3.45Å; L422-L425 PolarHBondContact O-N 2.86Å; L422-L426 WeakPolarHBondContact O-CB 3.35Å; L422-L426 PolarHBondContact O-N 3.13Å |
| 423 | A | 48 | Very low | 44.1 | Very low | 45 Ų | 45 | 29.5 Ų | 29.5 | 37% | 0.372 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.4 | -49.4 | 168 | 0 | 0 | 0 | 0 | 0 | 109 | W419 F420 L425 L426 F427 | W419-A423 WeakPolarHBondContact O-CB 3.43Å; W419-A423 PolarHBondContact O-N 3.42Å; F420-A423 WeakPolarHBondContact O-CB 3.33Å; F420-A423 PolarHBondContact O-N 2.86Å; A423-L425 PolarHBondContact O-N 3.1Å; A423-L425 VanDerWaalsContact O-N 3.17Å; A423-L426 PolarHBondContact O-N 3.27Å; A423-F427 WeakPolarHBondContact O-CA 3.35Å; A423-F427 WeakPolarHBondContact O-CB 3.13Å; A423-F427 PolarHBondContact O-N 2.84Å |
| 424 | A | 48.5 | Very low | 44 | Very low | 10 Ų | 10 | 30.6 Ų | 30.6 | 8% | 0.083 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.2 | -35.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L263 F420 V421 F427 F428 | L263-A424 HydrophobicContact CD2-CB 3.3Å; L263-A424 HydrophobicContact CG-CB 4.45Å; F420-A424 WeakPolarHBondContact O-CB 3.42Å; F420-A424 PolarHBondContact O-N 3.38Å; V421-A424 CarbonylContact O-C 3.57Å; V421-A424 VanDerWaalsContact O-CB 3.32Å; V421-A424 WeakPolarHBondContact O-CB 3.22Å; V421-A424 PolarHBondContact O-N 2.64Å; A424-F427 WeakPolarHBondContact O-CB 3.35Å; A424-F428 WeakPolarHBondContact O-CB 3.31Å; A424-F428 PolarHBondContact O-N 3.05Å |
| 425 | L | 47.2 | Very low | 44.2 | Very low | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -74.1 | -53.9 | 179 | -91.2 | -179.5 | 0 | 0 | 0 | 113.9 | V193 L194 I197 V421 L422 A423 F427 F428 V429 | V193-L425 HydrophobicContact CB-CD2 3.44Å; V193-L425 VanDerWaalsContact CB-CD2 3.44Å; V193-L425 HydrophobicContact CG1-CD2 3.64Å; V193-L425 WeakPolarHBondContact O-CD2 3.48Å; L194-L425 HydrophobicContact CB-CD2 4.31Å; L194-L425 HydrophobicContact CD1-CB 3.72Å; L194-L425 HydrophobicContact CD1-CD2 4.03Å; L194-L425 HydrophobicContact CD1-CG 4.42Å; L194-L425 WeakPolarHBondContact CD1-O 3.48Å; L194-L425 HydrophobicContact CG-CB 4.21Å; L194-L425 HydrophobicContact CG-CD1 4.43Å; L194-L425 HydrophobicContact CG-CD2 4.21Å; I197-L425 HydrophobicContact CB-CD1 3.47Å; I197-L425 VanDerWaalsContact CB-CD1 3.47Å; I197-L425 HydrophobicContact CD1-CD1 3.32Å; I197-L425 HydrophobicContact CD1-CG 3.95Å; I197-L425 HydrophobicContact CG1-CD1 3.75Å; I197-L425 HydrophobicContact CG2-CD1 3.94Å; V421-L425 VanDerWaalsContact O-CB 3.27Å; V421-L425 WeakPolarHBondContact O-CB 3.39Å; V421-L425 VanDerWaalsContact O-CG 3.31Å; V421-L425 WeakPolarHBondContact O-CG 3.21Å; V421-L425 PolarHBondContact O-N 3.33Å; L422-L425 HydrophobicContact CD1-CD1 4.43Å; L422-L425 WeakPolarHBondContact O-CB 3.45Å; L422-L425 PolarHBondContact O-N 2.86Å; A423-L425 PolarHBondContact O-N 3.1Å; A423-L425 VanDerWaalsContact O-N 3.17Å; L425-F427 PolarHBondContact O-N 3.39Å; L425-F428 WeakPolarHBondContact O-CB 3.34Å; L425-F428 PolarHBondContact O-N 3.46Å; L425-F428 VanDerWaalsContact O-N 3.08Å; L425-V429 PolarHBondContact O-N 2.73Å |
| 426 | L | 46.7 | Very low | 44.5 | Very low | 38 Ų | 38 | 29.4 Ų | 29.4 | 20% | 0.199 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -52 | -43.7 | 172.4 | -92.9 | 166.8 | 0 | 0 | 0 | 109.4 | L137 I141 L422 A423 V429 L430 | L137-L426 HydrophobicContact CD1-CD1 4.38Å; L137-L426 HydrophobicContact CD2-CD1 4.33Å; I141-L426 HydrophobicContact CD1-CD1 3.71Å; I141-L426 HydrophobicContact CD1-CD2 4.38Å; I141-L426 HydrophobicContact CD1-CG 3.83Å; I141-L426 HydrophobicContact CG1-CD1 4.05Å; I141-L426 HydrophobicContact CG1-CD2 4Å; I141-L426 HydrophobicContact CG1-CG 4.01Å; L422-L426 WeakPolarHBondContact O-CB 3.35Å; L422-L426 PolarHBondContact O-N 3.13Å; A423-L426 PolarHBondContact O-N 3.27Å; L426-V429 PolarHBondContact O-N 3.46Å; L426-L430 VanDerWaalsContact O-CD1 3.25Å; L426-L430 WeakPolarHBondContact O-CD1 3.36Å; L426-L430 VanDerWaalsContact O-CG 3.26Å; L426-L430 WeakPolarHBondContact O-CG 3.43Å; L426-L430 PolarHBondContact O-N 3.19Å |
| 427 | F | 45.2 | Very low | 44.6 | Very low | 6 Ų | 6 | 31.7 Ų | 31.7 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 179.1 | -170.7 | -86.7 | 0 | 0 | 0 | 113.1 | F256 L259 R260 A423 A424 L425 L430 T431 | F256-F427 HydrophobicContact CB-CZ 4.36Å; F256-F427 HydrophobicContact CD1-CD2 4.36Å; F256-F427 AromaticContact CD1-CE2 3.88Å; F256-F427 HydrophobicContact CD1-CE2 3.88Å; F256-F427 HydrophobicContact CD1-CZ 4.41Å; F256-F427 WeakPolarHBondContact O-CE1 3.1Å; F256-F427 WeakPolarHBondContact O-CZ 3.34Å; L259-F427 HydrophobicContact CB-CD2 3.87Å; L259-F427 HydrophobicContact CB-CE2 3.16Å; L259-F427 HydrophobicContact CB-CZ 3.63Å; L259-F427 HydrophobicContact CD1-CD2 4.5Å; L259-F427 HydrophobicContact CD2-CD2 3.09Å; L259-F427 HydrophobicContact CD2-CE2 3.26Å; L259-F427 HydrophobicContact CD2-CG 4.16Å; L259-F427 HydrophobicContact CD2-CZ 4.4Å; L259-F427 HydrophobicContact CG-CD2 3.21Å; L259-F427 HydrophobicContact CG-CE2 3.09Å; L259-F427 HydrophobicContact CG-CG 4.02Å; L259-F427 HydrophobicContact CG-CZ 3.83Å; R260-F427 HydrophobicContact CB-CD1 4.13Å; R260-F427 HydrophobicContact CB-CE1 3.09Å; R260-F427 HydrophobicContact CB-CZ 3.56Å; R260-F427 HydrophobicContact CG-CD1 4.18Å; R260-F427 HydrophobicContact CG-CE1 3.5Å; R260-F427 VanDerWaalsContact CG-CE1 3.5Å; R260-F427 HydrophobicContact CG-CZ 4.44Å; A423-F427 WeakPolarHBondContact O-CA 3.35Å; A423-F427 WeakPolarHBondContact O-CB 3.13Å; A423-F427 PolarHBondContact O-N 2.84Å; A424-F427 WeakPolarHBondContact O-CB 3.35Å; L425-F427 PolarHBondContact O-N 3.39Å; F427-L430 PolarHBondContact O-N 3.42Å; F427-T431 VanDerWaalsContact CE1-OG1 3.23Å; F427-T431 WeakPolarHBondContact CE1-OG1 3.17Å; F427-T431 PolarHBondContact O-N 3.11Å; F427-T431 VanDerWaalsContact O-N 3.11Å; F427-T431 PolarHBondContact O-OG1 3.03Å |
| 428 | F | 46.7 | Very low | 44.3 | Very low | 11 Ų | 11 | 39 Ų | 39 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.5 | -48 | 175.2 | -176.2 | -109.4 | 0 | 0 | 0 | 111.9 | Y105 V193 H297 A298 A424 L425 L430 T431 L432 | Y105-F428 HydrophobicContact CE1-CE2 4.27Å; Y105-F428 HydrophobicContact CE1-CZ 4.19Å; V193-F428 HydrophobicContact CB-CD1 4.39Å; V193-F428 HydrophobicContact CG2-CD1 4.13Å; V193-F428 HydrophobicContact CG2-CE1 3.9Å; H297-F428 AromaticContact CE1-CZ 3.31Å; H297-F428 WeakPolarHBondContact CE1-CZ 3.31Å; H297-F428 AromaticContact ND1-CE2 3.79Å; H297-F428 AromaticContact ND1-CZ 3.39Å; H297-F428 WeakPolarHBondContact ND1-CZ 3.49Å; H297-F428 AromaticContact NE2-CZ 3.99Å; A298-F428 HydrophobicContact CB-CD2 4.35Å; A298-F428 HydrophobicContact CB-CE2 4.43Å; A424-F428 WeakPolarHBondContact O-CB 3.31Å; A424-F428 PolarHBondContact O-N 3.05Å; L425-F428 WeakPolarHBondContact O-CB 3.34Å; L425-F428 PolarHBondContact O-N 3.46Å; L425-F428 VanDerWaalsContact O-N 3.08Å; F428-L430 PolarHBondContact O-N 3.45Å; F428-T431 PolarHBondContact O-N 3.16Å; F428-L432 HydrophobicContact CD1-CD1 3.58Å; F428-L432 HydrophobicContact CD2-CD1 4.28Å; F428-L432 HydrophobicContact CE1-CD1 3.28Å; F428-L432 HydrophobicContact CE1-CG 4.46Å; F428-L432 HydrophobicContact CE2-CD1 4Å; F428-L432 HydrophobicContact CE2-CD2 4.47Å; F428-L432 HydrophobicContact CE2-CG 4.44Å; F428-L432 HydrophobicContact CG-CD1 4.06Å; F428-L432 HydrophobicContact CZ-CD1 3.46Å; F428-L432 VanDerWaalsContact CZ-CD1 3.46Å; F428-L432 HydrophobicContact CZ-CD2 4.2Å; F428-L432 HydrophobicContact CZ-CG 4.24Å; F428-L432 VanDerWaalsContact O-CD1 3.23Å; F428-L432 WeakPolarHBondContact O-CD1 3.34Å; F428-L432 WeakPolarHBondContact O-CG 3.22Å; F428-L432 PolarHBondContact O-N 3.12Å |
| 429 | V | 47.2 | Very low | 44.2 | Very low | 14 Ų | 14 | 45.5 Ų | 45.5 | 9% | 0.085 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.4 | -36.3 | 179.4 | 152.1 | 0 | 0 | 0 | 0 | 112.4 | L194 L425 L426 | L194-V429 HydrophobicContact CB-CG2 4.31Å; L194-V429 HydrophobicContact CD1-CB 3.89Å; L194-V429 HydrophobicContact CD1-CG2 3.28Å; L194-V429 HydrophobicContact CG-CG2 4.28Å; L425-V429 PolarHBondContact O-N 2.73Å; L426-V429 PolarHBondContact O-N 3.46Å |
| 430 | L | 43.4 | Very low | 44.2 | Very low | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.084 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -84.3 | -30.6 | -176.6 | -65.3 | 160.8 | 0 | 0 | 0 | 113.3 | F243 F256 L426 F427 F428 L432 R433 | F243-L430 HydrophobicContact CB-CD1 4.01Å; F243-L430 HydrophobicContact CB-CD2 4.34Å; F243-L430 HydrophobicContact CD1-CD1 3.39Å; F243-L430 HydrophobicContact CD2-CD1 3.43Å; F243-L430 VanDerWaalsContact CD2-CD1 3.43Å; F243-L430 HydrophobicContact CE1-CD1 3.48Å; F243-L430 VanDerWaalsContact CE1-CD1 3.48Å; F243-L430 HydrophobicContact CE2-CD1 3.55Å; F243-L430 HydrophobicContact CG-CD1 3.32Å; F243-L430 HydrophobicContact CZ-CD1 3.54Å; F256-L430 HydrophobicContact CD1-CB 3.4Å; F256-L430 VanDerWaalsContact CD1-CB 3.4Å; F256-L430 HydrophobicContact CD1-CD1 4.4Å; F256-L430 HydrophobicContact CD2-CB 4.29Å; F256-L430 HydrophobicContact CE1-CB 2.96Å; F256-L430 HydrophobicContact CE1-CD1 3.34Å; F256-L430 HydrophobicContact CE1-CD2 4.32Å; F256-L430 HydrophobicContact CE1-CG 3.67Å; F256-L430 HydrophobicContact CE2-CB 3.87Å; F256-L430 HydrophobicContact CG-CB 4.06Å; F256-L430 HydrophobicContact CZ-CB 3.23Å; F256-L430 HydrophobicContact CZ-CD1 3.64Å; F256-L430 HydrophobicContact CZ-CD2 3.9Å; F256-L430 HydrophobicContact CZ-CG 3.77Å; L426-L430 VanDerWaalsContact O-CD1 3.25Å; L426-L430 WeakPolarHBondContact O-CD1 3.36Å; L426-L430 VanDerWaalsContact O-CG 3.26Å; L426-L430 WeakPolarHBondContact O-CG 3.43Å; L426-L430 PolarHBondContact O-N 3.19Å; F427-L430 PolarHBondContact O-N 3.42Å; F428-L430 PolarHBondContact O-N 3.45Å; L430-L432 VanDerWaalsContact C-N 3.26Å; L430-L432 PolarHBondContact O-N 3.32Å; L430-R433 PolarHBondContact O-N 3.31Å |
| 431 | T | 43.1 | Very low | 43.9 | Very low | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.012 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -33.6 | 176.5 | -49.2 | 0 | 0 | 0 | 0 | 112.5 | F256 R260 F427 F428 R433 M434 | F256-T431 HydrophobicContact CB-CG2 4.29Å; F256-T431 WeakPolarHBondContact O-CG2 3.32Å; F256-T431 PolarHBondContact O-OG1 3.11Å; R260-T431 VanDerWaalsContact NH2-CG2 3.29Å; F427-T431 VanDerWaalsContact CE1-OG1 3.23Å; F427-T431 WeakPolarHBondContact CE1-OG1 3.17Å; F427-T431 PolarHBondContact O-N 3.11Å; F427-T431 VanDerWaalsContact O-N 3.11Å; F427-T431 PolarHBondContact O-OG1 3.03Å; F428-T431 PolarHBondContact O-N 3.16Å; T431-R433 VanDerWaalsContact C-N 3.35Å; T431-R433 PolarHBondContact O-N 3.33Å; T431-M434 PolarHBondContact O-N 3.17Å |
| 432 | L | 45.4 | Very low | 43.9 | Very low | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.6 | -38.3 | -178.9 | -73.4 | 158.8 | 0 | 0 | 0 | 112.4 | Y105 A190 F428 L430 M434 R435 | Y105-L432 HydrophobicContact CD2-CD2 3.76Å; Y105-L432 HydrophobicContact CE1-CD2 4.19Å; Y105-L432 HydrophobicContact CE2-CD2 2.99Å; Y105-L432 HydrophobicContact CE2-CG 4.5Å; Y105-L432 VanDerWaalsContact OH-CD2 3.24Å; Y105-L432 WeakPolarHBondContact OH-CD2 3.14Å; A190-L432 HydrophobicContact CB-CB 3.67Å; A190-L432 HydrophobicContact CB-CD2 3.92Å; A190-L432 HydrophobicContact CB-CG 4.25Å; A190-L432 WeakPolarHBondContact O-CB 3.4Å; A190-L432 WeakPolarHBondContact O-CD1 3.06Å; A190-L432 VanDerWaalsContact O-CG 3.27Å; A190-L432 WeakPolarHBondContact O-CG 3.39Å; F428-L432 HydrophobicContact CD1-CD1 3.58Å; F428-L432 HydrophobicContact CD2-CD1 4.28Å; F428-L432 HydrophobicContact CE1-CD1 3.28Å; F428-L432 HydrophobicContact CE1-CG 4.46Å; F428-L432 HydrophobicContact CE2-CD1 4Å; F428-L432 HydrophobicContact CE2-CD2 4.47Å; F428-L432 HydrophobicContact CE2-CG 4.44Å; F428-L432 HydrophobicContact CG-CD1 4.06Å; F428-L432 HydrophobicContact CZ-CD1 3.46Å; F428-L432 VanDerWaalsContact CZ-CD1 3.46Å; F428-L432 HydrophobicContact CZ-CD2 4.2Å; F428-L432 HydrophobicContact CZ-CG 4.24Å; F428-L432 VanDerWaalsContact O-CD1 3.23Å; F428-L432 WeakPolarHBondContact O-CD1 3.34Å; F428-L432 WeakPolarHBondContact O-CG 3.22Å; F428-L432 PolarHBondContact O-N 3.12Å; L430-L432 VanDerWaalsContact C-N 3.26Å; L430-L432 PolarHBondContact O-N 3.32Å; L432-M434 VanDerWaalsContact C-N 3.3Å; L432-M434 PolarHBondContact O-N 3.03Å; L432-R435 PolarHBondContact O-N 3.49Å |
| 433 | R | 42.6 | Very low | 43.9 | Very low | 47 Ų | 47 | 58.4 Ų | 58.4 | 18% | 0.177 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.9 | -32.8 | 176.4 | -165.8 | 178.1 | -179.1 | 165.3 | 3.1 | 113 | V236 T240 L430 T431 R435 | V236-R433 PolarHBondContact O-NH1 3.43Å; V236-R433 PolarHBondContact O-NH2 3.33Å; T240-R433 WeakPolarHBondContact OG1-CD 3.12Å; T240-R433 PolarHBondContact OG1-NH1 2.73Å; L430-R433 PolarHBondContact O-N 3.31Å; T431-R433 VanDerWaalsContact C-N 3.35Å; T431-R433 PolarHBondContact O-N 3.33Å; R433-R435 PolarHBondContact O-N 2.7Å |
| 434 | M | 38.3 | Very low | 44 | Very low | 58 Ų | 58 | 59.8 Ų | 59.8 | 29% | 0.286 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67 | -34.1 | -178.5 | -75.7 | -64.2 | -96 | 0 | 0 | 113.6 | E244 F256 T431 L432 | E244-M434 WeakPolarHBondContact OE1-CE 3.38Å; F256-M434 HydrophobicContact CB-CG 4.27Å; F256-M434 HydrophobicContact CD2-CG 3.6Å; F256-M434 HydrophobicContact CD2-SD 4.42Å; F256-M434 HydrophobicContact CE2-CG 4.44Å; F256-M434 HydrophobicContact CG-CG 4.34Å; T431-M434 PolarHBondContact O-N 3.17Å; L432-M434 VanDerWaalsContact C-N 3.3Å; L432-M434 PolarHBondContact O-N 3.03Å |
| 435 | R | 42.5 | Very low | 44 | Very low | 64 Ų | 64 | 67.6 Ų | 67.6 | 24% | 0.242 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -76.3 | -31.1 | -178.8 | -76.7 | -165.7 | -172.3 | 178.3 | 4.5 | 113.1 | P107 R110 E257 L432 R433 R437 R438 | P107-R435 VanDerWaalsContact CB-NH1 3.33Å; R110-R435 VanDerWaalsContact NE-NH2 3.13Å; E257-R435 IonicContact OE1-NE 3.79Å; E257-R435 PolarHBondContact OE1-NE 3.42Å; L432-R435 PolarHBondContact O-N 3.49Å; R433-R435 PolarHBondContact O-N 2.7Å; R435-R437 VanDerWaalsContact C-N 3.33Å; R435-R437 PolarHBondContact O-N 2.99Å; R435-R438 PolarHBondContact O-N 2.74Å; R435-R438 VanDerWaalsContact O-N 3.14Å |
| 436 | V | 41.8 | Very low | 44.2 | Very low | 26 Ų | 26 | 75.1 Ų | 75.1 | 16% | 0.158 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 177.7 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | F183 I187 R438 K439 | F183-V436 HydrophobicContact CD2-CG1 3.95Å; F183-V436 HydrophobicContact CE2-CB 4.16Å; F183-V436 HydrophobicContact CE2-CG1 3.24Å; F183-V436 HydrophobicContact CZ-CB 4.28Å; F183-V436 HydrophobicContact CZ-CG1 3.71Å; I187-V436 HydrophobicContact CB-CG1 4.44Å; I187-V436 HydrophobicContact CD1-CG1 4.05Å; I187-V436 HydrophobicContact CG1-CB 3.97Å; I187-V436 HydrophobicContact CG1-CG1 3.24Å; I187-V436 HydrophobicContact CG1-CG2 4.06Å; V436-R438 PolarHBondContact O-N 3.26Å; V436-K439 PolarHBondContact O-N 3.11Å |
| 437 | R | 41.3 | Very low | 44.2 | Very low | 123 Ų | 123 | 80.9 Ų | 80.9 | 46% | 0.464 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.9 | -23 | 175.2 | -76.8 | -174.5 | 170 | 170.4 | -3.9 | 114.8 | F183 R435 | F183-R437 HydrophobicContact CZ-CG 4.24Å; R435-R437 VanDerWaalsContact C-N 3.33Å; R435-R437 PolarHBondContact O-N 2.99Å |
| 438 | R | 39.3 | Very low | 44.1 | Very low | 192 Ų | 192 | 90.9 Ų | 90.9 | 73% | 0.725 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -82.3 | -28.3 | -176.1 | -132.1 | -178.3 | -163.3 | -178.9 | 5.3 | 112.8 | R435 V436 D440 | R435-R438 PolarHBondContact O-N 2.74Å; R435-R438 VanDerWaalsContact O-N 3.14Å; V436-R438 PolarHBondContact O-N 3.26Å; R438-D440 VanDerWaalsContact C-N 3.27Å; R438-D440 PolarHBondContact O-N 3.15Å |
| 439 | K | 39.8 | Very low | 43.9 | Very low | 171 Ų | 171 | 94.9 Ų | 94.9 | 74% | 0.743 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.1 | -34.6 | 175.5 | -82.8 | -170.3 | 173.4 | -177.7 | 0 | 111.5 | V436 I442 A443 | V436-K439 PolarHBondContact O-N 3.11Å; K439-I442 PolarHBondContact O-N 3.49Å; K439-A443 PolarHBondContact O-N 2.96Å; K439-A443 VanDerWaalsContact O-N 3.13Å |
| 440 | D | 40.1 | Very low | 43.8 | Very low | 68 Ų | 68 | 99.1 Ų | 99.1 | 36% | 0.364 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73 | -36.3 | -177.7 | -53.6 | -31.1 | 0 | 0 | 0 | 113.2 | F183 R438 I442 A443 V444 | F183-D440 WeakPolarHBondContact CD2-OD2 3.47Å; F183-D440 WeakPolarHBondContact CE2-OD2 3.45Å; R438-D440 VanDerWaalsContact C-N 3.27Å; R438-D440 PolarHBondContact O-N 3.15Å; D440-I442 PolarHBondContact O-N 2.76Å; D440-A443 PolarHBondContact O-N 3.2Å; D440-V444 WeakPolarHBondContact O-CG2 3.42Å; D440-V444 PolarHBondContact O-N 2.82Å |
| 441 | K | 41.4 | Very low | 43.8 | Very low | 164 Ų | 164 | 103.7 Ų | 103.7 | 71% | 0.713 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.8 | -25.9 | 177.1 | -73.7 | -165.5 | 176.1 | -173.7 | 0 | 113 | ||
| 442 | I | 46.6 | Very low | 43.8 | Very low | 108 Ų | 108 | 109.7 Ų | 109.7 | 55% | 0.554 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -81.5 | -39.9 | 175.7 | -60 | 172.4 | 0 | 0 | 0 | 109.9 | K439 D440 V444 K445 H446 | K439-I442 PolarHBondContact O-N 3.49Å; D440-I442 PolarHBondContact O-N 2.76Å; I442-V444 PolarHBondContact O-N 3.11Å; I442-K445 PolarHBondContact O-N 2.97Å; I442-H446 PolarHBondContact O-N 3.27Å |
| 443 | A | 47.3 | Very low | 43.7 | Very low | 55 Ų | 55 | 116.3 Ų | 116.3 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K439 D440 H446 K447 | K439-A443 PolarHBondContact O-N 2.96Å; K439-A443 VanDerWaalsContact O-N 3.13Å; D440-A443 PolarHBondContact O-N 3.2Å; A443-H446 PolarHBondContact O-N 3.38Å; A443-K447 PolarHBondContact O-N 3.16Å |
| 444 | V | 50 | Low | 43.8 | Very low | 75 Ų | 75 | 120.9 Ų | 120.9 | 46% | 0.455 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.4 | -35 | 177.3 | 175.8 | 0 | 0 | 0 | 0 | 111.7 | D440 I442 H446 K447 M448 | D440-V444 WeakPolarHBondContact O-CG2 3.42Å; D440-V444 PolarHBondContact O-N 2.82Å; I442-V444 PolarHBondContact O-N 3.11Å; V444-H446 PolarHBondContact O-N 3.44Å; V444-K447 PolarHBondContact O-N 3.19Å; V444-M448 PolarHBondContact O-N 2.89Å |
| 445 | K | 49.2 | Very low | 44.2 | Very low | 173 Ų | 173 | 125.4 Ų | 125.4 | 75% | 0.752 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69 | -14.8 | 175.5 | -89 | -167.8 | 174.5 | -169.3 | 0 | 114.6 | I442 | I442-K445 PolarHBondContact O-N 2.97Å |
| 446 | H | 49.5 | Very low | 44.3 | Very low | 162 Ų | 162 | 130.1 Ų | 130.1 | 75% | 0.75 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -7.5 | 174.9 | -87.6 | -59.8 | 0 | 0 | 0 | 113.6 | I442 A443 V444 | I442-H446 PolarHBondContact O-N 3.27Å; A443-H446 PolarHBondContact O-N 3.38Å; V444-H446 PolarHBondContact O-N 3.44Å |
| 447 | K | 48.2 | Very low | 44.5 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 69% | 0.691 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -8.1 | 176.8 | -76.4 | -173.8 | -178.4 | 177.8 | 0 | 113.9 | E179 A443 V444 | E179-K447 IonicContact OE1-NZ 3.88Å; E179-K447 PolarHBondContact OE1-NZ 2.72Å; A443-K447 PolarHBondContact O-N 3.16Å; V444-K447 PolarHBondContact O-N 3.19Å |
| 448 | M | 42 | Very low | 44.8 | Very low | 215 Ų | 215 | 140.2 Ų | 140.2 | 100% | 1.059 | 66% | 0.66 | S | S | * | * | trans | -99.8 | 0 | 164.7 | -73.5 | -177.9 | 162.7 | 0 | 0 | 108.5 | V444 | V444-M448 PolarHBondContact O-N 2.89Š|
Retrieved 448 of 448 residues in 1058.3 ms
(Link to these results)