| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.6 | Very low | 80.2 | Confident | 212 Ų | 212 | 79.9 Ų | 79.9 | 100% | 1.044 | 46% | 0.46 | S | S | * | . | 0 | 123.5 | 0 | -101.7 | 179.6 | -124.3 | 0 | 0 | 106.1 | |||||
| 2 | D | 59.6 | Low | 81.6 | Confident | 128 Ų | 128 | 82.4 Ų | 82.4 | 68% | 0.684 | 47% | 0.465 | S | S | * | . | trans | -63 | 145 | 173.7 | -75 | -33.7 | 0 | 0 | 0 | 109.6 | D4 S5 A6 | D2-D4 PolarHBondContact O-N 3.37Å; D2-D4 VanDerWaalsContact O-N 3.15Å; D2-S5 PolarHBondContact N-OG 2.93Å; D2-S5 PolarHBondContact O-N 2.89Å; D2-S5 PolarHBondContact O-OG 3.25Å; D2-A6 PolarHBondContact O-N 3.07Å | ||
| 3 | V | 61.6 | Low | 82.8 | Confident | 101 Ų | 101 | 76.5 Ų | 76.5 | 61% | 0.612 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -56.5 | -32.4 | -179.2 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | S7 | V3-S7 WeakPolarHBondContact O-CB 3.36Å; V3-S7 PolarHBondContact O-N 3.11Å; V3-S7 PolarHBondContact O-OG 3.06Å |
| 4 | D | 73.1 | Confident | 83.9 | Confident | 134 Ų | 134 | 71 Ų | 71 | 72% | 0.717 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -70.7 | -37.3 | 176.9 | -63.3 | -27 | 0 | 0 | 0 | 112.3 | D2 S7 S8 | D2-D4 PolarHBondContact O-N 3.37Å; D2-D4 VanDerWaalsContact O-N 3.15Å; D4-S7 PolarHBondContact O-N 3.44Å; D4-S8 PolarHBondContact O-N 3.29Å |
| 5 | S | 81.8 | Confident | 84.8 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 35% | 0.35 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69 | -42.1 | 177.2 | 79.1 | 0 | 0 | 0 | 0 | 111.2 | D2 S8 V9 | D2-S5 PolarHBondContact N-OG 2.93Å; D2-S5 PolarHBondContact O-N 2.89Å; D2-S5 PolarHBondContact O-OG 3.25Å; S5-S8 PolarHBondContact O-N 3.49Å; S5-V9 WeakPolarHBondContact O-CG2 3.48Å; S5-V9 PolarHBondContact O-N 3.43Å |
| 6 | A | 85.1 | Confident | 85.5 | Confident | 30 Ų | 30 | 71.4 Ų | 71.4 | 25% | 0.248 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D2 S8 V9 V10 | D2-A6 PolarHBondContact O-N 3.07Å; A6-S8 PolarHBondContact O-N 3.41Å; A6-V9 PolarHBondContact O-N 3.11Å; A6-V10 WeakPolarHBondContact O-CG2 3.19Å; A6-V10 PolarHBondContact O-N 2.94Å; A6-V10 VanDerWaalsContact O-N 3.07Å |
| 7 | S | 89.7 | Confident | 86.2 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 177.5 | -61.1 | 0 | 0 | 0 | 0 | 112.3 | V3 D4 V9 L11 | V3-S7 WeakPolarHBondContact O-CB 3.36Å; V3-S7 PolarHBondContact O-N 3.11Å; V3-S7 PolarHBondContact O-OG 3.06Å; D4-S7 PolarHBondContact O-N 3.44Å; S7-V9 PolarHBondContact O-N 2.93Å; S7-L11 WeakPolarHBondContact O-CB 3.3Å; S7-L11 PolarHBondContact O-N 3.19Å |
| 8 | S | 92.9 | Very high | 86.7 | Confident | 72 Ų | 72 | 66.8 Ų | 66.8 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 176.7 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | D4 S5 A6 L11 Q12 | D4-S8 PolarHBondContact O-N 3.29Å; S5-S8 PolarHBondContact O-N 3.49Å; A6-S8 PolarHBondContact O-N 3.41Å; S8-L11 PolarHBondContact O-N 3.15Å; S8-Q12 WeakPolarHBondContact O-CB 3.49Å; S8-Q12 PolarHBondContact O-N 3.46Å |
| 9 | V | 95.8 | Very high | 87.1 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 42% | 0.418 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -71.5 | -41.7 | -175.3 | 172 | 0 | 0 | 0 | 0 | 111.4 | S5 A6 S7 Q12 A13 W35 | S5-V9 WeakPolarHBondContact O-CG2 3.48Å; S5-V9 PolarHBondContact O-N 3.43Å; A6-V9 PolarHBondContact O-N 3.11Å; S7-V9 PolarHBondContact O-N 2.93Å; V9-Q12 PolarHBondContact O-N 2.78Å; V9-A13 PolarHBondContact O-N 3.32Å; V9-W35 HydrophobicContact CG1-CH2 3.35Å; V9-W35 HydrophobicContact CG1-CZ2 3.72Å; V9-W35 HydrophobicContact CG1-CZ3 4.23Å |
| 10 | V | 97.1 | Very high | 87.4 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 6% | 0.061 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 111 | A6 Q12 A13 L14 L32 W35 F41 V44 L45 I48 | A6-V10 WeakPolarHBondContact O-CG2 3.19Å; A6-V10 PolarHBondContact O-N 2.94Å; A6-V10 VanDerWaalsContact O-N 3.07Å; V10-Q12 VanDerWaalsContact C-N 3.34Å; V10-Q12 PolarHBondContact O-N 2.93Å; V10-A13 PolarHBondContact O-N 2.87Å; V10-L14 HydrophobicContact CG1-CD1 4Å; V10-L14 HydrophobicContact CG1-CG 4.42Å; V10-L14 WeakPolarHBondContact O-CG 3.45Å; V10-L14 PolarHBondContact O-N 3.22Å; V10-L32 HydrophobicContact CG1-CD2 4.29Å; V10-W35 HydrophobicContact CG2-CE3 3.94Å; V10-W35 HydrophobicContact CG2-CZ3 4.13Å; V10-F41 HydrophobicContact CG1-CE2 4.04Å; V10-F41 HydrophobicContact CG2-CD2 4.24Å; V10-F41 HydrophobicContact CG2-CE2 4.36Å; V10-V44 HydrophobicContact CB-CG1 3.69Å; V10-V44 HydrophobicContact CG1-CG1 3.85Å; V10-V44 HydrophobicContact CG2-CG1 3.98Å; V10-L45 HydrophobicContact CG1-CD2 4.1Å; V10-I48 HydrophobicContact CB-CD1 4.33Å; V10-I48 HydrophobicContact CG1-CD1 3.87Å |
| 11 | L | 97.1 | Very high | 87.8 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 176.4 | 177.4 | 59.3 | 0 | 0 | 0 | 111.8 | S7 S8 L14 T15 I48 L54 V58 | S7-L11 WeakPolarHBondContact O-CB 3.3Å; S7-L11 PolarHBondContact O-N 3.19Å; S8-L11 PolarHBondContact O-N 3.15Å; L11-L14 PolarHBondContact O-N 3.46Å; L11-T15 WeakPolarHBondContact O-CB 3.47Å; L11-T15 PolarHBondContact O-N 2.88Å; L11-T15 PolarHBondContact O-OG1 2.92Å; L11-I48 HydrophobicContact CB-CD1 4.13Å; L11-I48 HydrophobicContact CD1-CG2 4.34Å; L11-L54 HydrophobicContact CD1-CD1 3.8Å; L11-L54 HydrophobicContact CD1-CD2 4.23Å; L11-L54 HydrophobicContact CD2-CD1 4.38Å; L11-L54 HydrophobicContact CD2-CD2 3.96Å; L11-V58 HydrophobicContact CD1-CG1 3.62Å |
| 12 | Q | 96.9 | Very high | 89.9 | Confident | 110 Ų | 110 | 66.3 Ų | 66.3 | 51% | 0.514 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 176.7 | -176 | 178.7 | 3.2 | 0 | 0 | 111.4 | S8 V9 V10 T15 Q16 | S8-Q12 WeakPolarHBondContact O-CB 3.49Å; S8-Q12 PolarHBondContact O-N 3.46Å; V9-Q12 PolarHBondContact O-N 2.78Å; V10-Q12 VanDerWaalsContact C-N 3.34Å; V10-Q12 PolarHBondContact O-N 2.93Å; Q12-T15 WeakPolarHBondContact O-CB 3.48Å; Q12-T15 PolarHBondContact O-N 3.21Å; Q12-Q16 WeakPolarHBondContact O-CG 3.41Å; Q12-Q16 PolarHBondContact O-N 3.23Å |
| 13 | A | 97.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | V9 V10 T15 Q16 A17 A28 L32 W35 | V9-A13 PolarHBondContact O-N 3.32Å; V10-A13 PolarHBondContact O-N 2.87Å; A13-T15 VanDerWaalsContact C-N 3.3Å; A13-T15 PolarHBondContact O-N 2.91Å; A13-Q16 PolarHBondContact O-N 3.33Å; A13-A17 WeakPolarHBondContact O-CB 3.12Å; A13-A17 PolarHBondContact O-N 3.2Å; A13-A28 WeakPolarHBondContact O-CB 3.42Å; A13-L32 HydrophobicContact CB-CD2 3.99Å; A13-L32 HydrophobicContact CB-CG 4.02Å; A13-W35 HydrophobicContact CB-CH2 4.2Å; A13-W35 HydrophobicContact CB-CZ3 3.67Å |
| 14 | L | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.5 | -73.5 | 166.7 | 0 | 0 | 0 | 112.1 | V10 L11 Q16 A17 T18 L32 L45 I48 V58 L61 A62 Y65 | V10-L14 HydrophobicContact CG1-CD1 4Å; V10-L14 HydrophobicContact CG1-CG 4.42Å; V10-L14 WeakPolarHBondContact O-CG 3.45Å; V10-L14 PolarHBondContact O-N 3.22Å; L11-L14 PolarHBondContact O-N 3.46Å; L14-Q16 VanDerWaalsContact C-N 3.34Å; L14-A17 PolarHBondContact O-N 3.4Å; L14-T18 WeakPolarHBondContact O-CG2 3.35Å; L14-T18 PolarHBondContact O-N 3.21Å; L14-L32 HydrophobicContact CD2-CD1 3.84Å; L14-L32 HydrophobicContact CD2-CD2 4.08Å; L14-L32 HydrophobicContact CG-CD1 4.32Å; L14-L32 HydrophobicContact CG-CD2 4.02Å; L14-L45 HydrophobicContact CD1-CD2 3.93Å; L14-I48 HydrophobicContact CD1-CD1 3.7Å; L14-I48 HydrophobicContact CD1-CG2 4.1Å; L14-V58 HydrophobicContact CB-CG1 3.94Å; L14-L61 HydrophobicContact CD2-CB 4.3Å; L14-L61 HydrophobicContact CD2-CD2 3.9Å; L14-L61 HydrophobicContact CD2-CG 3.83Å; L14-A62 HydrophobicContact CD1-CB 3.92Å; L14-Y65 HydrophobicContact CD2-CD2 4.05Å; L14-Y65 HydrophobicContact CD2-CE2 4.3Å |
| 15 | T | 97.3 | Very high | 94.3 | Very high | 72 Ų | 72 | 57 Ų | 57 | 44% | 0.442 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66 | -37.7 | 176.5 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | L11 Q12 A13 T18 | L11-T15 WeakPolarHBondContact O-CB 3.47Å; L11-T15 PolarHBondContact O-N 2.88Å; L11-T15 PolarHBondContact O-OG1 2.92Å; Q12-T15 WeakPolarHBondContact O-CB 3.48Å; Q12-T15 PolarHBondContact O-N 3.21Å; A13-T15 VanDerWaalsContact C-N 3.3Å; A13-T15 PolarHBondContact O-N 2.91Å; T15-T18 PolarHBondContact O-N 3.06Å; T15-T18 PolarHBondContact O-OG1 3.31Å |
| 16 | Q | 97 | Very high | 95 | Very high | 76 Ų | 76 | 61 Ų | 61 | 36% | 0.355 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.9 | -36.7 | 174.6 | -73.8 | 174.7 | -14 | 0 | 0 | 112 | Q12 A13 L14 T18 S19 V24 A28 | Q12-Q16 WeakPolarHBondContact O-CG 3.41Å; Q12-Q16 PolarHBondContact O-N 3.23Å; A13-Q16 PolarHBondContact O-N 3.33Å; L14-Q16 VanDerWaalsContact C-N 3.34Å; Q16-T18 PolarHBondContact O-N 3.39Å; Q16-S19 WeakPolarHBondContact O-CB 3.48Å; Q16-S19 PolarHBondContact O-N 3.4Å; Q16-V24 HydrophobicContact CB-CG1 3.65Å; Q16-V24 HydrophobicContact CG-CG1 3.76Å; Q16-A28 HydrophobicContact CB-CB 3.62Å |
| 17 | A | 96.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 63.3 Ų | 63.3 | 7% | 0.066 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.6 | -14.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | A13 L14 L25 A28 E29 L32 L61 | A13-A17 WeakPolarHBondContact O-CB 3.12Å; A13-A17 PolarHBondContact O-N 3.2Å; L14-A17 PolarHBondContact O-N 3.4Å; A17-L25 WeakPolarHBondContact O-CD1 3.39Å; A17-A28 HydrophobicContact CB-CB 4.11Å; A17-E29 HydrophobicContact CB-CG 4.27Å; A17-L32 HydrophobicContact CB-CD1 3.95Å; A17-L61 HydrophobicContact CB-CD2 3.64Å |
| 18 | T | 95 | Very high | 95.9 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1.9 | 170.6 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | L14 T15 Q16 N57 V58 L61 | L14-T18 WeakPolarHBondContact O-CG2 3.35Å; L14-T18 PolarHBondContact O-N 3.21Å; T15-T18 PolarHBondContact O-N 3.06Å; T15-T18 PolarHBondContact O-OG1 3.31Å; Q16-T18 PolarHBondContact O-N 3.39Å; T18-N57 HydrophobicContact CG2-CB 3.94Å; T18-V58 HydrophobicContact CG2-CG2 4.26Å; T18-L61 HydrophobicContact CG2-CD2 4.01Å |
| 19 | S | 94.7 | Very high | 96 | Very high | 42 Ų | 42 | 62.9 Ų | 62.9 | 29% | 0.294 | 35% | 0.346 | S | S | . | . | trans | -67.1 | 147.9 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | Q16 D21 L25 | Q16-S19 WeakPolarHBondContact O-CB 3.48Å; Q16-S19 PolarHBondContact O-N 3.4Å; S19-D21 VanDerWaalsContact C-N 3.29Å; S19-D21 PolarHBondContact OG-N 3.05Å; S19-D21 VanDerWaalsContact OG-N 3.11Å; S19-L25 WeakPolarHBondContact O-CD1 3.45Å | ||
| 20 | Q | 92.9 | Very high | 96 | Very high | 197 Ų | 197 | 64 Ų | 64 | 92% | 0.921 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -78 | -16.3 | 169.8 | -64.1 | -178.9 | -1.6 | 0 | 0 | 112.5 | T22 | Q20-T22 PolarHBondContact O-N 2.93Š|
| 21 | D | 95.7 | Very high | 96 | Very high | 85 Ų | 85 | 66.7 Ų | 66.7 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | trans | -78.5 | 112.7 | 176.2 | -175.6 | -3.1 | 0 | 0 | 0 | 110.8 | S19 A23 V24 L25 | S19-D21 VanDerWaalsContact C-N 3.29Å; S19-D21 PolarHBondContact OG-N 3.05Å; S19-D21 VanDerWaalsContact OG-N 3.11Å; D21-A23 PolarHBondContact O-N 3.46Å; D21-A23 WeakPolarHBondContact OD1-CB 3.46Å; D21-A23 PolarHBondContact OD1-N 2.85Å; D21-V24 HydrophobicContact CB-CB 4.4Å; D21-V24 HydrophobicContact CB-CG2 4.25Å; D21-V24 PolarHBondContact O-N 3.28Å; D21-V24 VanDerWaalsContact O-N 3.07Å; D21-L25 WeakPolarHBondContact O-CB 3.4Å; D21-L25 PolarHBondContact O-N 3.45Å | ||
| 22 | T | 94 | Very high | 96 | Very high | 78 Ų | 78 | 64.5 Ų | 64.5 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.1 | -27.9 | 180 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | Q20 V24 K26 | Q20-T22 PolarHBondContact O-N 2.93Å; T22-V24 VanDerWaalsContact C-N 3.25Å; T22-V24 PolarHBondContact O-N 3.41Å; T22-K26 HydrophobicContact CG2-CD 3.67Å; T22-K26 VanDerWaalsContact CG2-CE 3.41Å; T22-K26 HydrophobicContact CG2-CG 3.92Å; T22-K26 WeakPolarHBondContact O-CB 3.46Å; T22-K26 PolarHBondContact O-N 3.33Å |
| 23 | A | 95.8 | Very high | 95.9 | Very high | 74 Ų | 74 | 66.7 Ų | 66.7 | 61% | 0.612 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.5 | -25.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D21 P27 | D21-A23 PolarHBondContact O-N 3.46Å; D21-A23 WeakPolarHBondContact OD1-CB 3.46Å; D21-A23 PolarHBondContact OD1-N 2.85Å; A23-P27 WeakPolarHBondContact O-CD 3.37Å; A23-P27 VanDerWaalsContact O-CG 3.3Å; A23-P27 WeakPolarHBondContact O-CG 3.5Å |
| 24 | V | 95.4 | Very high | 95.8 | Very high | 52 Ų | 52 | 71.2 Ų | 71.2 | 32% | 0.315 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -93.3 | -41.7 | 177.1 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | Q16 D21 T22 P27 A28 | Q16-V24 HydrophobicContact CB-CG1 3.65Å; Q16-V24 HydrophobicContact CG-CG1 3.76Å; D21-V24 HydrophobicContact CB-CB 4.4Å; D21-V24 HydrophobicContact CB-CG2 4.25Å; D21-V24 PolarHBondContact O-N 3.28Å; D21-V24 VanDerWaalsContact O-N 3.07Å; T22-V24 VanDerWaalsContact C-N 3.25Å; T22-V24 PolarHBondContact O-N 3.41Å; V24-P27 WeakPolarHBondContact O-CD 3.29Å; V24-A28 PolarHBondContact O-N 3.03Å |
| 25 | L | 95.1 | Very high | 95.8 | Very high | 40 Ų | 40 | 73.9 Ų | 73.9 | 21% | 0.209 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.9 | -49.5 | -177.7 | 176.6 | 158.6 | 0 | 0 | 0 | 112.3 | A17 S19 D21 A28 E29 | A17-L25 WeakPolarHBondContact O-CD1 3.39Å; S19-L25 WeakPolarHBondContact O-CD1 3.45Å; D21-L25 WeakPolarHBondContact O-CB 3.4Å; D21-L25 PolarHBondContact O-N 3.45Å; L25-A28 WeakPolarHBondContact O-CB 3.38Å; L25-A28 PolarHBondContact O-N 3.47Å; L25-A28 VanDerWaalsContact O-N 3.15Å; L25-E29 HydrophobicContact CD2-CG 3.91Å; L25-E29 WeakPolarHBondContact CD2-OE2 3.5Å; L25-E29 HydrophobicContact CG-CG 4.34Å; L25-E29 PolarHBondContact O-N 3.25Å |
| 26 | K | 95.4 | Very high | 95.7 | Very high | 134 Ų | 134 | 70.7 Ų | 70.7 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -61.1 | -47.7 | -172.7 | -77.8 | -178.4 | 175.7 | 175.7 | 0 | 113.5 | T22 A28 E29 E30 | T22-K26 HydrophobicContact CG2-CD 3.67Å; T22-K26 VanDerWaalsContact CG2-CE 3.41Å; T22-K26 HydrophobicContact CG2-CG 3.92Å; T22-K26 WeakPolarHBondContact O-CB 3.46Å; T22-K26 PolarHBondContact O-N 3.33Å; K26-A28 VanDerWaalsContact C-N 3.27Å; K26-A28 PolarHBondContact O-N 3.47Å; K26-E29 PolarHBondContact O-N 2.93Å; K26-E30 PolarHBondContact O-N 3.39Å; K26-E30 VanDerWaalsContact O-N 3.11Å |
| 27 | P | 96.9 | Very high | 95.6 | Very high | 80 Ų | 80 | 69.5 Ų | 69.5 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.1 | -37.6 | 175.6 | -24 | 35 | 0 | 0 | 0 | 112.5 | A23 V24 E30 Q31 | A23-P27 WeakPolarHBondContact O-CD 3.37Å; A23-P27 VanDerWaalsContact O-CG 3.3Å; A23-P27 WeakPolarHBondContact O-CG 3.5Å; V24-P27 WeakPolarHBondContact O-CD 3.29Å; P27-E30 PolarHBondContact O-N 2.98Å; P27-Q31 WeakPolarHBondContact O-CB 3.4Å; P27-Q31 PolarHBondContact O-N 3.38Å |
| 28 | A | 96.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 74.1 Ų | 74.1 | 2% | 0.017 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.7 | -43.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A13 Q16 A17 V24 L25 K26 Q31 L32 | A13-A28 WeakPolarHBondContact O-CB 3.42Å; Q16-A28 HydrophobicContact CB-CB 3.62Å; A17-A28 HydrophobicContact CB-CB 4.11Å; V24-A28 PolarHBondContact O-N 3.03Å; L25-A28 WeakPolarHBondContact O-CB 3.38Å; L25-A28 PolarHBondContact O-N 3.47Å; L25-A28 VanDerWaalsContact O-N 3.15Å; K26-A28 VanDerWaalsContact C-N 3.27Å; K26-A28 PolarHBondContact O-N 3.47Å; A28-Q31 PolarHBondContact O-N 3.34Å; A28-L32 WeakPolarHBondContact O-CB 3.34Å; A28-L32 VanDerWaalsContact O-CG 3.29Å; A28-L32 WeakPolarHBondContact O-CG 3.19Å; A28-L32 PolarHBondContact O-N 3.23Å |
| 29 | E | 95.8 | Very high | 95.6 | Very high | 86 Ų | 86 | 77 Ų | 77 | 40% | 0.402 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 175 | -73.9 | -171.1 | 150.7 | 0 | 0 | 112.4 | A17 L25 K26 Q31 L32 R33 | A17-E29 HydrophobicContact CB-CG 4.27Å; L25-E29 HydrophobicContact CD2-CG 3.91Å; L25-E29 WeakPolarHBondContact CD2-OE2 3.5Å; L25-E29 HydrophobicContact CG-CG 4.34Å; L25-E29 PolarHBondContact O-N 3.25Å; K26-E29 PolarHBondContact O-N 2.93Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; E29-L32 PolarHBondContact O-N 2.97Å; E29-R33 WeakPolarHBondContact O-CB 3.23Å; E29-R33 PolarHBondContact O-N 3.47Å |
| 30 | E | 96.1 | Very high | 95.6 | Very high | 92 Ų | 92 | 76.3 Ų | 76.3 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65 | -40.2 | 177.3 | -174.2 | 58.7 | -150.3 | 0 | 0 | 110.9 | K26 P27 R33 Q34 | K26-E30 PolarHBondContact O-N 3.39Å; K26-E30 VanDerWaalsContact O-N 3.11Å; P27-E30 PolarHBondContact O-N 2.98Å; E30-R33 WeakPolarHBondContact O-CB 3.39Å; E30-R33 PolarHBondContact O-N 2.89Å; E30-Q34 WeakPolarHBondContact O-CG 3.45Å; E30-Q34 PolarHBondContact O-N 3.38Å |
| 31 | Q | 96.4 | Very high | 95.8 | Very high | 68 Ų | 68 | 67.3 Ų | 67.3 | 32% | 0.318 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 175.7 | -171.5 | 61.8 | 62.4 | 0 | 0 | 112.1 | P27 A28 E29 R33 Q34 W35 | P27-Q31 WeakPolarHBondContact O-CB 3.4Å; P27-Q31 PolarHBondContact O-N 3.38Å; A28-Q31 PolarHBondContact O-N 3.34Å; E29-Q31 VanDerWaalsContact C-N 3.33Å; Q31-R33 VanDerWaalsContact C-N 3.27Å; Q31-R33 PolarHBondContact O-N 3.05Å; Q31-Q34 PolarHBondContact O-N 3.47Å; Q31-W35 HydrophobicContact CG-CD2 4.19Å; Q31-W35 HydrophobicContact CG-CE3 4.19Å; Q31-W35 HydrophobicContact CG-CH2 3.31Å; Q31-W35 HydrophobicContact CG-CZ2 3.35Å; Q31-W35 HydrophobicContact CG-CZ3 3.79Å; Q31-W35 VanDerWaalsContact NE2-CZ2 3.35Å; Q31-W35 PolarHBondContact O-N 3.44Å |
| 32 | L | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.2 | -40 | 175.3 | -72.8 | 165.8 | 0 | 0 | 0 | 111.2 | V10 A13 L14 A17 A28 E29 Q34 W35 E36 F41 Y65 | V10-L32 HydrophobicContact CG1-CD2 4.29Å; A13-L32 HydrophobicContact CB-CD2 3.99Å; A13-L32 HydrophobicContact CB-CG 4.02Å; L14-L32 HydrophobicContact CD2-CD1 3.84Å; L14-L32 HydrophobicContact CD2-CD2 4.08Å; L14-L32 HydrophobicContact CG-CD1 4.32Å; L14-L32 HydrophobicContact CG-CD2 4.02Å; A17-L32 HydrophobicContact CB-CD1 3.95Å; A28-L32 WeakPolarHBondContact O-CB 3.34Å; A28-L32 VanDerWaalsContact O-CG 3.29Å; A28-L32 WeakPolarHBondContact O-CG 3.19Å; A28-L32 PolarHBondContact O-N 3.23Å; E29-L32 PolarHBondContact O-N 2.97Å; L32-Q34 VanDerWaalsContact C-N 3.34Å; L32-Q34 PolarHBondContact O-N 3.4Å; L32-W35 HydrophobicContact CD2-CE3 4.18Å; L32-W35 HydrophobicContact CD2-CZ3 4.35Å; L32-W35 PolarHBondContact O-N 2.89Å; L32-W35 VanDerWaalsContact O-N 3.15Å; L32-E36 PolarHBondContact O-N 3.45Å; L32-F41 HydrophobicContact CD2-CE2 4.18Å; L32-F41 HydrophobicContact CD2-CZ 4.35Å; L32-Y65 HydrophobicContact CB-CE1 3.82Å; L32-Y65 HydrophobicContact CB-CE2 4.4Å; L32-Y65 HydrophobicContact CD1-CE2 3.73Å |
| 33 | R | 95.4 | Very high | 96.1 | Very high | 157 Ų | 157 | 61.5 Ų | 61.5 | 59% | 0.592 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.2 | -39.3 | 176.7 | -171.9 | -177.5 | -178.7 | -174.4 | 0.2 | 112.5 | E29 E30 Q31 W35 E36 | E29-R33 WeakPolarHBondContact O-CB 3.23Å; E29-R33 PolarHBondContact O-N 3.47Å; E30-R33 WeakPolarHBondContact O-CB 3.39Å; E30-R33 PolarHBondContact O-N 2.89Å; Q31-R33 VanDerWaalsContact C-N 3.27Å; Q31-R33 PolarHBondContact O-N 3.05Å; R33-W35 VanDerWaalsContact C-N 3.27Å; R33-W35 PolarHBondContact O-N 3.33Å; R33-E36 WeakPolarHBondContact O-CB 3.4Å; R33-E36 PolarHBondContact O-N 3.07Å |
| 34 | Q | 95 | Very high | 96.2 | Very high | 99 Ų | 99 | 58.4 Ų | 58.4 | 46% | 0.463 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.9 | -29.1 | 176 | -68.9 | 171.2 | 19.5 | 0 | 0 | 112.5 | E30 Q31 L32 | E30-Q34 WeakPolarHBondContact O-CG 3.45Å; E30-Q34 PolarHBondContact O-N 3.38Å; Q31-Q34 PolarHBondContact O-N 3.47Å; L32-Q34 VanDerWaalsContact C-N 3.34Å; L32-Q34 PolarHBondContact O-N 3.4Å |
| 35 | W | 97 | Very high | 96.3 | Very high | 56 Ų | 56 | 56 Ų | 56 | 21% | 0.212 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -83.2 | -12.8 | 177.9 | -64.7 | -28.6 | 0 | 0 | 0 | 114.6 | V9 V10 A13 Q31 L32 R33 T37 Q38 F41 | V9-W35 HydrophobicContact CG1-CH2 3.35Å; V9-W35 HydrophobicContact CG1-CZ2 3.72Å; V9-W35 HydrophobicContact CG1-CZ3 4.23Å; V10-W35 HydrophobicContact CG2-CE3 3.94Å; V10-W35 HydrophobicContact CG2-CZ3 4.13Å; A13-W35 HydrophobicContact CB-CH2 4.2Å; A13-W35 HydrophobicContact CB-CZ3 3.67Å; Q31-W35 HydrophobicContact CG-CD2 4.19Å; Q31-W35 HydrophobicContact CG-CE3 4.19Å; Q31-W35 HydrophobicContact CG-CH2 3.31Å; Q31-W35 HydrophobicContact CG-CZ2 3.35Å; Q31-W35 HydrophobicContact CG-CZ3 3.79Å; Q31-W35 VanDerWaalsContact NE2-CZ2 3.35Å; Q31-W35 PolarHBondContact O-N 3.44Å; L32-W35 HydrophobicContact CD2-CE3 4.18Å; L32-W35 HydrophobicContact CD2-CZ3 4.35Å; L32-W35 PolarHBondContact O-N 2.89Å; L32-W35 VanDerWaalsContact O-N 3.15Å; R33-W35 VanDerWaalsContact C-N 3.27Å; R33-W35 PolarHBondContact O-N 3.33Å; W35-T37 PolarHBondContact O-N 3.45Å; W35-Q38 WeakPolarHBondContact O-CB 3.35Å; W35-Q38 PolarHBondContact O-N 2.98Å; W35-F41 HydrophobicContact CB-CD2 3.63Å; W35-F41 HydrophobicContact CB-CE2 3.79Å; W35-F41 HydrophobicContact CB-CG 4.25Å; W35-F41 HydrophobicContact CE3-CE2 4.46Å; W35-F41 VanDerWaalsContact O-CB 3.29Å; W35-F41 WeakPolarHBondContact O-CB 3.4Å; W35-F41 VanDerWaalsContact O-CG 3.27Å; W35-F41 WeakPolarHBondContact O-CG 3.49Å |
| 36 | E | 96.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 54.6 Ų | 54.6 | 2% | 0.023 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -21 | 179.4 | -73.5 | -173.9 | -170.8 | 0 | 0 | 114.2 | L32 R33 F41 Y42 Y65 R72 Y73 | L32-E36 PolarHBondContact O-N 3.45Å; R33-E36 WeakPolarHBondContact O-CB 3.4Å; R33-E36 PolarHBondContact O-N 3.07Å; E36-F41 HydrophobicContact CB-CE1 4.48Å; E36-F41 HydrophobicContact CG-CE1 4.05Å; E36-Y42 VanDerWaalsContact O-CE2 3.24Å; E36-Y42 WeakPolarHBondContact O-CE2 3.48Å; E36-Y42 PolarHBondContact O-OH 2.92Å; E36-Y65 HydrophobicContact CG-CD1 4.45Å; E36-R72 VanDerWaalsContact CD-NH1 3.28Å; E36-R72 IonicContact OE1-NH1 3.91Å; E36-R72 PolarHBondContact OE1-NH1 2.97Å; E36-R72 IonicContact OE2-CZ 3.06Å; E36-R72 IonicContact OE2-NH1 3.75Å; E36-R72 PolarHBondContact OE2-NH1 2.93Å; E36-Y73 HydrophobicContact CB-CE2 3.82Å; E36-Y73 WeakPolarHBondContact OE2-CE2 3.39Å; E36-Y73 PolarHBondContact OE2-OH 3.1Å |
| 37 | T | 95 | Very high | 96.4 | Very high | 52 Ų | 52 | 52.4 Ų | 52.4 | 32% | 0.319 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -0 | 179.3 | 59.3 | 0 | 0 | 0 | 0 | 113.8 | W35 Y73 H80 | W35-T37 PolarHBondContact O-N 3.45Å; T37-Y73 HydrophobicContact CG2-CD1 4.48Å; T37-Y73 HydrophobicContact CG2-CE1 3.78Å; T37-H80 HydrophobicContact CG2-CB 3.66Å |
| 38 | Q | 95.7 | Very high | 96.4 | Very high | 105 Ų | 105 | 48.9 Ų | 48.9 | 49% | 0.491 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -83.4 | 134.4 | 179.8 | -62 | -58.5 | -44.3 | 0 | 0 | 110.5 | W35 G40 F41 | W35-Q38 WeakPolarHBondContact O-CB 3.35Å; W35-Q38 PolarHBondContact O-N 2.98Å; Q38-G40 PolarHBondContact O-N 3.39Å; Q38-F41 WeakPolarHBondContact O-CB 3.44Å; Q38-F41 PolarHBondContact O-N 3.06Å |
| 39 | P | 94.2 | Very high | 96.4 | Very high | 114 Ų | 114 | 48.9 Ų | 48.9 | 74% | 0.74 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 133.6 | 177 | -25.6 | 34.2 | 0 | 0 | 0 | 112.2 | F41 | P39-F41 VanDerWaalsContact C-N 3.3Å; P39-F41 PolarHBondContact O-N 2.96Å |
| 40 | G | 95.4 | Very high | 96.4 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | -5.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | Q38 Y42 S43 V44 E86 | Q38-G40 PolarHBondContact O-N 3.39Å; G40-Y42 VanDerWaalsContact C-N 3.3Å; G40-Y42 PolarHBondContact O-N 3.21Å; G40-S43 WeakPolarHBondContact O-CB 3.27Å; G40-S43 PolarHBondContact O-N 3.45Å; G40-S43 VanDerWaalsContact O-N 3.12Å; G40-V44 PolarHBondContact O-N 3.15Å; G40-E86 WeakPolarHBondContact CA-OE1 3.46Å; G40-E86 PolarHBondContact N-OE1 3.44Å |
| 41 | F | 97.6 | Very high | 96.4 | Very high | 8 Ų | 8 | 46.6 Ų | 46.6 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.8 | -45.7 | 175.3 | 174.9 | -110 | 0 | 0 | 0 | 111.9 | V10 L32 W35 E36 Q38 P39 S43 V44 L45 | V10-F41 HydrophobicContact CG1-CE2 4.04Å; V10-F41 HydrophobicContact CG2-CD2 4.24Å; V10-F41 HydrophobicContact CG2-CE2 4.36Å; L32-F41 HydrophobicContact CD2-CE2 4.18Å; L32-F41 HydrophobicContact CD2-CZ 4.35Å; W35-F41 HydrophobicContact CB-CD2 3.63Å; W35-F41 HydrophobicContact CB-CE2 3.79Å; W35-F41 HydrophobicContact CB-CG 4.25Å; W35-F41 HydrophobicContact CE3-CE2 4.46Å; W35-F41 VanDerWaalsContact O-CB 3.29Å; W35-F41 WeakPolarHBondContact O-CB 3.4Å; W35-F41 VanDerWaalsContact O-CG 3.27Å; W35-F41 WeakPolarHBondContact O-CG 3.49Å; E36-F41 HydrophobicContact CB-CE1 4.48Å; E36-F41 HydrophobicContact CG-CE1 4.05Å; Q38-F41 WeakPolarHBondContact O-CB 3.44Å; Q38-F41 PolarHBondContact O-N 3.06Å; P39-F41 VanDerWaalsContact C-N 3.3Å; P39-F41 PolarHBondContact O-N 2.96Å; F41-S43 VanDerWaalsContact C-N 3.33Å; F41-S43 PolarHBondContact O-N 3.38Å; F41-V44 WeakPolarHBondContact O-CB 3.35Å; F41-V44 PolarHBondContact O-N 2.66Å; F41-L45 HydrophobicContact CD1-CD1 4.08Å; F41-L45 HydrophobicContact CD1-CG 4.48Å; F41-L45 HydrophobicContact CE1-CD1 3.55Å; F41-L45 HydrophobicContact CE1-CG 4.16Å; F41-L45 HydrophobicContact CE2-CD2 4.29Å; F41-L45 HydrophobicContact CE2-CG 4.43Å; F41-L45 HydrophobicContact CZ-CD1 3.86Å; F41-L45 HydrophobicContact CZ-CD2 4.09Å; F41-L45 HydrophobicContact CZ-CG 4.13Å; F41-L45 WeakPolarHBondContact O-CG 3.19Å; F41-L45 PolarHBondContact O-N 3.4Å |
| 42 | Y | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.3 | -30.9 | 179.2 | -64.4 | -77.5 | 0 | 0 | 0 | 112.9 | E36 G40 V44 L45 L46 F66 G69 Y73 L82 | E36-Y42 VanDerWaalsContact O-CE2 3.24Å; E36-Y42 WeakPolarHBondContact O-CE2 3.48Å; E36-Y42 PolarHBondContact O-OH 2.92Å; G40-Y42 VanDerWaalsContact C-N 3.3Å; G40-Y42 PolarHBondContact O-N 3.21Å; Y42-V44 VanDerWaalsContact C-N 3.33Å; Y42-L45 HydrophobicContact CD1-CD1 4.12Å; Y42-L45 HydrophobicContact CE1-CD1 4.44Å; Y42-L45 PolarHBondContact O-N 3.11Å; Y42-L46 WeakPolarHBondContact O-CB 3.47Å; Y42-L46 PolarHBondContact O-N 3.08Å; Y42-F66 HydrophobicContact CD1-CB 4.43Å; Y42-F66 HydrophobicContact CD1-CD1 4.23Å; Y42-F66 HydrophobicContact CD1-CD2 4.12Å; Y42-F66 HydrophobicContact CD1-CE2 4.45Å; Y42-F66 HydrophobicContact CD1-CG 4.01Å; Y42-F66 VanDerWaalsContact O-CE1 3.22Å; Y42-F66 WeakPolarHBondContact O-CE1 3.2Å; Y42-G69 WeakPolarHBondContact OH-CA 3.36Å; Y42-Y73 WeakPolarHBondContact OH-CD2 3.45Å; Y42-Y73 VanDerWaalsContact OH-CE2 3.29Å; Y42-Y73 WeakPolarHBondContact OH-CE2 3.27Å; Y42-L82 HydrophobicContact CD2-CD1 3.93Å; Y42-L82 HydrophobicContact CD2-CD2 3.6Å; Y42-L82 HydrophobicContact CD2-CG 4.38Å; Y42-L82 HydrophobicContact CE2-CD1 4.26Å; Y42-L82 HydrophobicContact CE2-CD2 3.71Å; Y42-L82 HydrophobicContact CE2-CG 4.45Å; Y42-L82 HydrophobicContact CG-CD1 4.45Å |
| 43 | S | 96.9 | Very high | 96.4 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 172.8 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | G40 F41 L46 N47 | G40-S43 WeakPolarHBondContact O-CB 3.27Å; G40-S43 PolarHBondContact O-N 3.45Å; G40-S43 VanDerWaalsContact O-N 3.12Å; F41-S43 VanDerWaalsContact C-N 3.33Å; F41-S43 PolarHBondContact O-N 3.38Å; S43-L46 WeakPolarHBondContact O-CB 3.45Å; S43-L46 PolarHBondContact O-N 3.24Å; S43-N47 VanDerWaalsContact O-CG 3.28Å; S43-N47 PolarHBondContact O-N 3.13Å; S43-N47 PolarHBondContact O-ND2 2.76Å |
| 44 | V | 97.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 6% | 0.061 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 173 | 173 | 0 | 0 | 0 | 0 | 110.9 | V10 G40 F41 Y42 L46 N47 I48 | V10-V44 HydrophobicContact CB-CG1 3.69Å; V10-V44 HydrophobicContact CG1-CG1 3.85Å; V10-V44 HydrophobicContact CG2-CG1 3.98Å; G40-V44 PolarHBondContact O-N 3.15Å; F41-V44 WeakPolarHBondContact O-CB 3.35Å; F41-V44 PolarHBondContact O-N 2.66Å; Y42-V44 VanDerWaalsContact C-N 3.33Å; V44-L46 VanDerWaalsContact C-N 3.31Å; V44-L46 PolarHBondContact O-N 3.03Å; V44-N47 PolarHBondContact O-N 3.2Å; V44-I48 HydrophobicContact CG1-CD1 3.75Å; V44-I48 HydrophobicContact CG1-CG1 4.34Å; V44-I48 VanDerWaalsContact O-CG1 3.32Å; V44-I48 WeakPolarHBondContact O-CG1 3.32Å; V44-I48 PolarHBondContact O-N 2.61Å |
| 45 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -43.6 | 176.2 | -66.1 | -177 | 0 | 0 | 0 | 112.1 | V10 L14 F41 Y42 N47 I48 F49 A62 F66 | V10-L45 HydrophobicContact CG1-CD2 4.1Å; L14-L45 HydrophobicContact CD1-CD2 3.93Å; F41-L45 HydrophobicContact CD1-CD1 4.08Å; F41-L45 HydrophobicContact CD1-CG 4.48Å; F41-L45 HydrophobicContact CE1-CD1 3.55Å; F41-L45 HydrophobicContact CE1-CG 4.16Å; F41-L45 HydrophobicContact CE2-CD2 4.29Å; F41-L45 HydrophobicContact CE2-CG 4.43Å; F41-L45 HydrophobicContact CZ-CD1 3.86Å; F41-L45 HydrophobicContact CZ-CD2 4.09Å; F41-L45 HydrophobicContact CZ-CG 4.13Å; F41-L45 WeakPolarHBondContact O-CG 3.19Å; F41-L45 PolarHBondContact O-N 3.4Å; Y42-L45 HydrophobicContact CD1-CD1 4.12Å; Y42-L45 HydrophobicContact CE1-CD1 4.44Å; Y42-L45 PolarHBondContact O-N 3.11Å; L45-N47 PolarHBondContact O-N 3.34Å; L45-I48 PolarHBondContact O-N 3.46Å; L45-F49 WeakPolarHBondContact O-CD1 3.23Å; L45-F49 WeakPolarHBondContact O-CG 3.44Å; L45-F49 PolarHBondContact O-N 3.15Å; L45-A62 HydrophobicContact CD2-CB 4.04Å; L45-F66 HydrophobicContact CB-CD1 4.05Å; L45-F66 HydrophobicContact CD1-CB 4.13Å |
| 46 | L | 97.5 | Very high | 96.6 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.5 | -48 | 175.2 | 177.1 | 65.5 | 0 | 0 | 0 | 111.8 | Y42 S43 V44 I48 F49 N50 F66 L90 L94 | Y42-L46 WeakPolarHBondContact O-CB 3.47Å; Y42-L46 PolarHBondContact O-N 3.08Å; S43-L46 WeakPolarHBondContact O-CB 3.45Å; S43-L46 PolarHBondContact O-N 3.24Å; V44-L46 VanDerWaalsContact C-N 3.31Å; V44-L46 PolarHBondContact O-N 3.03Å; L46-I48 VanDerWaalsContact C-N 3.34Å; L46-I48 PolarHBondContact O-N 3Å; L46-F49 VanDerWaalsContact CA-CE1 3.48Å; L46-F49 HydrophobicContact CB-CE1 4.34Å; L46-F49 HydrophobicContact CB-CZ 4.19Å; L46-F49 HydrophobicContact CD1-CE1 4.29Å; L46-F49 HydrophobicContact CD1-CE2 3.52Å; L46-F49 HydrophobicContact CD1-CZ 3.34Å; L46-F49 HydrophobicContact CG-CZ 4.34Å; L46-N50 WeakPolarHBondContact CD1-ND2 3.27Å; L46-N50 VanDerWaalsContact O-CB 3.29Å; L46-N50 WeakPolarHBondContact O-CB 3.46Å; L46-N50 VanDerWaalsContact O-CG 3.26Å; L46-N50 PolarHBondContact O-N 2.89Å; L46-N50 PolarHBondContact O-ND2 3.06Å; L46-F66 HydrophobicContact CB-CE1 4.04Å; L46-L90 HydrophobicContact CD2-CD2 4.36Å; L46-L94 HydrophobicContact CD1-CD2 4.2Å |
| 47 | N | 96.3 | Very high | 96.6 | Very high | 88 Ų | 88 | 50.6 Ų | 50.6 | 47% | 0.471 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63 | -41.7 | 177.7 | -67.9 | -18 | 0 | 0 | 0 | 111.7 | S43 V44 L45 N50 N51 | S43-N47 VanDerWaalsContact O-CG 3.28Å; S43-N47 PolarHBondContact O-N 3.13Å; S43-N47 PolarHBondContact O-ND2 2.76Å; V44-N47 PolarHBondContact O-N 3.2Å; L45-N47 PolarHBondContact O-N 3.34Å; N47-N50 PolarHBondContact O-N 3.3Å; N47-N51 WeakPolarHBondContact O-CB 3.29Å; N47-N51 PolarHBondContact O-N 3.47Å |
| 48 | I | 97 | Very high | 96.8 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 4% | 0.036 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.6 | -52.6 | 179.2 | -71.6 | 172.3 | 0 | 0 | 0 | 110.7 | V10 L11 L14 V44 L45 L46 N50 N51 L54 V58 A62 | V10-I48 HydrophobicContact CB-CD1 4.33Å; V10-I48 HydrophobicContact CG1-CD1 3.87Å; L11-I48 HydrophobicContact CB-CD1 4.13Å; L11-I48 HydrophobicContact CD1-CG2 4.34Å; L14-I48 HydrophobicContact CD1-CD1 3.7Å; L14-I48 HydrophobicContact CD1-CG2 4.1Å; V44-I48 HydrophobicContact CG1-CD1 3.75Å; V44-I48 HydrophobicContact CG1-CG1 4.34Å; V44-I48 VanDerWaalsContact O-CG1 3.32Å; V44-I48 WeakPolarHBondContact O-CG1 3.32Å; V44-I48 PolarHBondContact O-N 2.61Å; L45-I48 PolarHBondContact O-N 3.46Å; L46-I48 VanDerWaalsContact C-N 3.34Å; L46-I48 PolarHBondContact O-N 3Å; I48-N50 VanDerWaalsContact C-N 3.26Å; I48-N50 PolarHBondContact O-N 3.07Å; I48-N51 PolarHBondContact O-N 2.97Å; I48-N51 VanDerWaalsContact O-N 3.13Å; I48-L54 HydrophobicContact CB-CD1 4.39Å; I48-L54 HydrophobicContact CG2-CD1 3.87Å; I48-V58 HydrophobicContact CG2-CG1 4.28Å; I48-A62 HydrophobicContact CB-CB 4.37Å; I48-A62 HydrophobicContact CG2-CB 3.86Å |
| 49 | F | 96.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.2 | -20.5 | -178.1 | 67.2 | -118 | 0 | 0 | 0 | 113.3 | L45 L46 R59 A62 V63 F66 L94 I109 L112 | L45-F49 WeakPolarHBondContact O-CD1 3.23Å; L45-F49 WeakPolarHBondContact O-CG 3.44Å; L45-F49 PolarHBondContact O-N 3.15Å; L46-F49 VanDerWaalsContact CA-CE1 3.48Å; L46-F49 HydrophobicContact CB-CE1 4.34Å; L46-F49 HydrophobicContact CB-CZ 4.19Å; L46-F49 HydrophobicContact CD1-CE1 4.29Å; L46-F49 HydrophobicContact CD1-CE2 3.52Å; L46-F49 HydrophobicContact CD1-CZ 3.34Å; L46-F49 HydrophobicContact CG-CZ 4.34Å; F49-R59 HydrophobicContact CB-CB 4.39Å; F49-R59 PolarHBondContact O-NE 3.3Å; F49-R59 PolarHBondContact O-NH2 3.46Å; F49-A62 HydrophobicContact CB-CB 4.25Å; F49-A62 HydrophobicContact CD1-CB 4.37Å; F49-V63 HydrophobicContact CB-CG2 3.46Å; F49-V63 VanDerWaalsContact CB-CG2 3.46Å; F49-V63 HydrophobicContact CD1-CB 4.33Å; F49-V63 HydrophobicContact CD1-CG2 3.58Å; F49-V63 HydrophobicContact CD2-CG2 4Å; F49-V63 HydrophobicContact CE1-CG2 4.23Å; F49-V63 HydrophobicContact CG-CG2 3.45Å; F49-V63 VanDerWaalsContact CG-CG2 3.45Å; F49-F66 HydrophobicContact CE1-CB 4.32Å; F49-F66 AromaticContact CE1-CD1 3.69Å; F49-F66 HydrophobicContact CE1-CD1 3.69Å; F49-F66 HydrophobicContact CE1-CE1 4.37Å; F49-F66 HydrophobicContact CE1-CG 4.28Å; F49-F66 HydrophobicContact CZ-CD1 4.29Å; F49-L94 HydrophobicContact CZ-CD2 4.15Å; F49-I109 HydrophobicContact CD2-CD1 4.08Å; F49-I109 HydrophobicContact CD2-CG1 4.37Å; F49-I109 HydrophobicContact CE2-CD1 4.27Å; F49-I109 HydrophobicContact CE2-CG1 4.31Å; F49-L112 HydrophobicContact CE1-CD2 4.3Å; F49-L112 HydrophobicContact CZ-CD2 4.13Å |
| 50 | N | 95.8 | Very high | 97.1 | Very high | 65 Ų | 65 | 41.6 Ų | 41.6 | 35% | 0.348 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -80.8 | -14.2 | 171.4 | -74.1 | -19.6 | 0 | 0 | 0 | 113.6 | L46 N47 I48 H52 | L46-N50 WeakPolarHBondContact CD1-ND2 3.27Å; L46-N50 VanDerWaalsContact O-CB 3.29Å; L46-N50 WeakPolarHBondContact O-CB 3.46Å; L46-N50 VanDerWaalsContact O-CG 3.26Å; L46-N50 PolarHBondContact O-N 2.89Å; L46-N50 PolarHBondContact O-ND2 3.06Å; N47-N50 PolarHBondContact O-N 3.3Å; I48-N50 VanDerWaalsContact C-N 3.26Å; I48-N50 PolarHBondContact O-N 3.07Å; N50-H52 PolarHBondContact O-CD2 2.93Å; N50-H52 PolarHBondContact O-N 3.09Å |
| 51 | N | 95.8 | Very high | 97.2 | Very high | 65 Ų | 65 | 41.5 Ų | 41.5 | 35% | 0.348 | 22% | 0.223 | S | C | . | . | trans | -83.1 | 98.3 | 176.5 | -175.5 | -5.5 | 0 | 0 | 0 | 110.9 | N47 I48 T53 L54 R59 | N47-N51 WeakPolarHBondContact O-CB 3.29Å; N47-N51 PolarHBondContact O-N 3.47Å; I48-N51 PolarHBondContact O-N 2.97Å; I48-N51 VanDerWaalsContact O-N 3.13Å; N51-T53 PolarHBondContact ND2-OG1 2.99Å; N51-T53 PolarHBondContact O-N 3.39Å; N51-T53 VanDerWaalsContact O-N 3.11Å; N51-T53 WeakPolarHBondContact OD1-CB 3.45Å; N51-T53 PolarHBondContact OD1-N 3.34Å; N51-T53 VanDerWaalsContact OD1-N 3.08Å; N51-T53 PolarHBondContact OD1-OG1 3.4Å; N51-L54 HydrophobicContact CB-CD1 3.91Å; N51-L54 HydrophobicContact CB-CG 4.04Å; N51-L54 PolarHBondContact O-N 3.37Å; N51-R59 VanDerWaalsContact O-CD 3.27Å; N51-R59 WeakPolarHBondContact O-CD 3.5Å; N51-R59 PolarHBondContact O-NE 3.27Å | ||
| 52 | H | 96.6 | Very high | 97.2 | Very high | 69 Ų | 69 | 41.1 Ų | 41.1 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -7.6 | -176.9 | -61.5 | -179.7 | 0 | 0 | 0 | 114.4 | N50 L54 R59 N99 P101 | N50-H52 PolarHBondContact O-CD2 2.93Å; N50-H52 PolarHBondContact O-N 3.09Å; H52-L54 VanDerWaalsContact C-N 3.33Å; H52-R59 PolarHBondContact CD2-NH2 3.45Å; H52-N99 PolarHBondContact CE1-O 3.01Å; H52-N99 VanDerWaalsContact CE1-O 3.31Å; H52-N99 PolarHBondContact CE1-OD1 3.2Å; H52-P101 WeakPolarHBondContact CE1-CD 3.28Å; H52-P101 WeakPolarHBondContact ND1-CD 3.33Å |
| 53 | T | 96.6 | Very high | 97.2 | Very high | 124 Ų | 124 | 41 Ų | 41 | 76% | 0.761 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -13.8 | 175.5 | 68.6 | 0 | 0 | 0 | 0 | 113.1 | N51 | N51-T53 PolarHBondContact ND2-OG1 2.99Å; N51-T53 PolarHBondContact O-N 3.39Å; N51-T53 VanDerWaalsContact O-N 3.11Å; N51-T53 WeakPolarHBondContact OD1-CB 3.45Å; N51-T53 PolarHBondContact OD1-N 3.34Å; N51-T53 VanDerWaalsContact OD1-N 3.08Å; N51-T53 PolarHBondContact OD1-OG1 3.4Å |
| 54 | L | 96.9 | Very high | 97.3 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 20% | 0.199 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -84.2 | 157.3 | 179.6 | -59.4 | 179.3 | 0 | 0 | 0 | 112.3 | L11 I48 N51 H52 R59 | L11-L54 HydrophobicContact CD1-CD1 3.8Å; L11-L54 HydrophobicContact CD1-CD2 4.23Å; L11-L54 HydrophobicContact CD2-CD1 4.38Å; L11-L54 HydrophobicContact CD2-CD2 3.96Å; I48-L54 HydrophobicContact CB-CD1 4.39Å; I48-L54 HydrophobicContact CG2-CD1 3.87Å; N51-L54 HydrophobicContact CB-CD1 3.91Å; N51-L54 HydrophobicContact CB-CG 4.04Å; N51-L54 PolarHBondContact O-N 3.37Å; H52-L54 VanDerWaalsContact C-N 3.33Å; L54-R59 HydrophobicContact CB-CG 3.86Å; L54-R59 VanDerWaalsContact O-CD 3.27Å; L54-R59 WeakPolarHBondContact O-CD 3.13Å |
| 55 | D | 97.2 | Very high | 97.3 | Very high | 86 Ų | 86 | 41.1 Ų | 41.1 | 46% | 0.46 | 22% | 0.216 | S | C | . | . | trans | -56.5 | 141 | 177.8 | 178.9 | -100.6 | 0 | 0 | 0 | 112.5 | N57 V58 R59 | D55-N57 VanDerWaalsContact C-N 3.3Å; D55-N57 PolarHBondContact O-N 3.28Å; D55-N57 WeakPolarHBondContact OD1-CA 3.02Å; D55-N57 VanDerWaalsContact OD1-CB 3.23Å; D55-N57 WeakPolarHBondContact OD1-CB 3.47Å; D55-N57 PolarHBondContact OD1-N 3.07Å; D55-N57 PolarHBondContact OD1-ND2 3.43Å; D55-V58 HydrophobicContact CB-CB 4.35Å; D55-V58 HydrophobicContact CB-CG2 4.04Å; D55-V58 PolarHBondContact O-N 3.08Å; D55-V58 PolarHBondContact OD1-N 3.49Å; D55-R59 WeakPolarHBondContact O-CG 3.29Å; D55-R59 PolarHBondContact O-N 2.89Å | ||
| 56 | V | 97.3 | Very high | 97.3 | Very high | 58 Ų | 58 | 41.1 Ų | 41.1 | 35% | 0.352 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60 | -39.6 | -176.2 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | W60 V102 I105 | V56-W60 WeakPolarHBondContact O-CB 3.5Å; V56-W60 PolarHBondContact O-N 3.03Å; V56-V102 HydrophobicContact CG1-CG1 4.1Å; V56-V102 HydrophobicContact CG2-CG2 4.15Å; V56-I105 HydrophobicContact CG1-CD1 4.07Å |
| 57 | N | 97.1 | Very high | 97.3 | Very high | 94 Ų | 94 | 42.3 Ų | 42.3 | 50% | 0.503 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -71.1 | -38.3 | -178.1 | -59.2 | -54.2 | 0 | 0 | 0 | 111.2 | T18 D55 W60 L61 | T18-N57 HydrophobicContact CG2-CB 3.94Å; D55-N57 VanDerWaalsContact C-N 3.3Å; D55-N57 PolarHBondContact O-N 3.28Å; D55-N57 WeakPolarHBondContact OD1-CA 3.02Å; D55-N57 VanDerWaalsContact OD1-CB 3.23Å; D55-N57 WeakPolarHBondContact OD1-CB 3.47Å; D55-N57 PolarHBondContact OD1-N 3.07Å; D55-N57 PolarHBondContact OD1-ND2 3.43Å; N57-W60 PolarHBondContact O-N 3.34Å; N57-L61 WeakPolarHBondContact O-CB 3.24Å; N57-L61 PolarHBondContact O-N 3.44Å |
| 58 | V | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.4 | -49.7 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | L11 L14 T18 I48 D55 W60 L61 A62 | L11-V58 HydrophobicContact CD1-CG1 3.62Å; L14-V58 HydrophobicContact CB-CG1 3.94Å; T18-V58 HydrophobicContact CG2-CG2 4.26Å; I48-V58 HydrophobicContact CG2-CG1 4.28Å; D55-V58 HydrophobicContact CB-CB 4.35Å; D55-V58 HydrophobicContact CB-CG2 4.04Å; D55-V58 PolarHBondContact O-N 3.08Å; D55-V58 PolarHBondContact OD1-N 3.49Å; V58-W60 VanDerWaalsContact C-N 3.33Å; V58-W60 PolarHBondContact O-N 3.23Å; V58-L61 PolarHBondContact O-N 3Å; V58-A62 PolarHBondContact O-N 2.91Å |
| 59 | R | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 177 | -65 | 173 | 68.5 | -139.1 | -7.2 | 111.3 | F49 N51 H52 L54 D55 A62 V63 E100 I105 | F49-R59 HydrophobicContact CB-CB 4.39Å; F49-R59 PolarHBondContact O-NE 3.3Å; F49-R59 PolarHBondContact O-NH2 3.46Å; N51-R59 VanDerWaalsContact O-CD 3.27Å; N51-R59 WeakPolarHBondContact O-CD 3.5Å; N51-R59 PolarHBondContact O-NE 3.27Å; H52-R59 PolarHBondContact CD2-NH2 3.45Å; L54-R59 HydrophobicContact CB-CG 3.86Å; L54-R59 VanDerWaalsContact O-CD 3.27Å; L54-R59 WeakPolarHBondContact O-CD 3.13Å; D55-R59 WeakPolarHBondContact O-CG 3.29Å; D55-R59 PolarHBondContact O-N 2.89Å; R59-A62 WeakPolarHBondContact O-CB 3.39Å; R59-A62 PolarHBondContact O-N 3.2Å; R59-V63 WeakPolarHBondContact O-CG2 3.49Å; R59-V63 PolarHBondContact O-N 3.27Å; R59-V63 VanDerWaalsContact O-N 3.09Å; R59-E100 IonicContact CZ-OE1 2.8Å; R59-E100 IonicContact CZ-OE2 2.66Å; R59-E100 IonicContact NH1-OE1 3.75Å; R59-E100 PolarHBondContact NH1-OE1 2.84Å; R59-E100 IonicContact NH1-OE2 3.71Å; R59-E100 VanDerWaalsContact NH2-CD 3.3Å; R59-E100 IonicContact NH2-OE1 2.65Å; R59-E100 PolarHBondContact NH2-OE1 3.23Å; R59-E100 IonicContact NH2-OE2 2.62Å; R59-E100 PolarHBondContact NH2-OE2 2.89Å; R59-I105 HydrophobicContact CB-CD1 3.79Å |
| 60 | W | 97.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 41 Ų | 41 | 28% | 0.28 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62 | -44.8 | 177.8 | -175.6 | 85.5 | 0 | 0 | 0 | 112.2 | V56 N57 V58 A62 V63 L64 Q104 I105 | V56-W60 WeakPolarHBondContact O-CB 3.5Å; V56-W60 PolarHBondContact O-N 3.03Å; N57-W60 PolarHBondContact O-N 3.34Å; V58-W60 VanDerWaalsContact C-N 3.33Å; V58-W60 PolarHBondContact O-N 3.23Å; W60-A62 VanDerWaalsContact C-N 3.33Å; W60-A62 PolarHBondContact O-N 3.21Å; W60-V63 PolarHBondContact O-N 2.82Å; W60-L64 HydrophobicContact CD2-CD1 4.21Å; W60-L64 HydrophobicContact CD2-CG 4.22Å; W60-L64 HydrophobicContact CE3-CD1 3.72Å; W60-L64 HydrophobicContact CE3-CG 4.12Å; W60-L64 HydrophobicContact CH2-CD1 3.25Å; W60-L64 HydrophobicContact CH2-CG 4.17Å; W60-L64 HydrophobicContact CZ2-CD1 3.72Å; W60-L64 HydrophobicContact CZ2-CD2 4.26Å; W60-L64 HydrophobicContact CZ2-CG 4.19Å; W60-L64 HydrophobicContact CZ3-CD1 3.22Å; W60-L64 HydrophobicContact CZ3-CG 4.1Å; W60-L64 PolarHBondContact O-N 3.15Å; W60-L64 VanDerWaalsContact O-N 3.08Å; W60-Q104 VanDerWaalsContact NE1-NE2 3.11Å; W60-I105 HydrophobicContact CB-CG1 4.25Å |
| 61 | L | 97.9 | Very high | 97.2 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 13% | 0.131 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | 176.4 | -173.7 | 59.6 | 0 | 0 | 0 | 111.4 | L14 A17 T18 N57 V58 V63 L64 Y65 | L14-L61 HydrophobicContact CD2-CB 4.3Å; L14-L61 HydrophobicContact CD2-CD2 3.9Å; L14-L61 HydrophobicContact CD2-CG 3.83Å; A17-L61 HydrophobicContact CB-CD2 3.64Å; T18-L61 HydrophobicContact CG2-CD2 4.01Å; N57-L61 WeakPolarHBondContact O-CB 3.24Å; N57-L61 PolarHBondContact O-N 3.44Å; V58-L61 PolarHBondContact O-N 3Å; L61-V63 PolarHBondContact O-N 2.62Å; L61-L64 WeakPolarHBondContact O-CB 3.4Å; L61-L64 PolarHBondContact O-N 3.49Å; L61-L64 VanDerWaalsContact O-N 3.1Å; L61-Y65 HydrophobicContact CD1-CD2 3.98Å; L61-Y65 HydrophobicContact CD1-CE2 3.75Å; L61-Y65 HydrophobicContact CD2-CE2 4.28Å; L61-Y65 HydrophobicContact CG-CD2 3.93Å; L61-Y65 HydrophobicContact CG-CE2 3.84Å; L61-Y65 WeakPolarHBondContact O-CD2 3.22Å; L61-Y65 PolarHBondContact O-N 3.42Å |
| 62 | A | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -44.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L14 L45 I48 F49 V58 R59 W60 L64 Y65 F66 | L14-A62 HydrophobicContact CD1-CB 3.92Å; L45-A62 HydrophobicContact CD2-CB 4.04Å; I48-A62 HydrophobicContact CB-CB 4.37Å; I48-A62 HydrophobicContact CG2-CB 3.86Å; F49-A62 HydrophobicContact CB-CB 4.25Å; F49-A62 HydrophobicContact CD1-CB 4.37Å; V58-A62 PolarHBondContact O-N 2.91Å; R59-A62 WeakPolarHBondContact O-CB 3.39Å; R59-A62 PolarHBondContact O-N 3.2Å; W60-A62 VanDerWaalsContact C-N 3.33Å; W60-A62 PolarHBondContact O-N 3.21Å; A62-L64 VanDerWaalsContact C-N 3.27Å; A62-L64 PolarHBondContact O-N 2.88Å; A62-Y65 PolarHBondContact O-N 3.47Å; A62-F66 PolarHBondContact O-N 3.33Å |
| 63 | V | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.1 | -36.8 | 175 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | F49 R59 W60 L61 F66 K67 I105 Q108 I109 L112 | F49-V63 HydrophobicContact CB-CG2 3.46Å; F49-V63 VanDerWaalsContact CB-CG2 3.46Å; F49-V63 HydrophobicContact CD1-CB 4.33Å; F49-V63 HydrophobicContact CD1-CG2 3.58Å; F49-V63 HydrophobicContact CD2-CG2 4Å; F49-V63 HydrophobicContact CE1-CG2 4.23Å; F49-V63 HydrophobicContact CG-CG2 3.45Å; F49-V63 VanDerWaalsContact CG-CG2 3.45Å; R59-V63 WeakPolarHBondContact O-CG2 3.49Å; R59-V63 PolarHBondContact O-N 3.27Å; R59-V63 VanDerWaalsContact O-N 3.09Å; W60-V63 PolarHBondContact O-N 2.82Å; L61-V63 PolarHBondContact O-N 2.62Å; V63-F66 PolarHBondContact O-N 3.39Å; V63-K67 VanDerWaalsContact O-CB 3.23Å; V63-K67 WeakPolarHBondContact O-CB 3.49Å; V63-K67 PolarHBondContact O-N 3.22Å; V63-I105 HydrophobicContact CG2-CG2 3.93Å; V63-Q108 HydrophobicContact CB-CB 4.2Å; V63-Q108 HydrophobicContact CG1-CB 3.47Å; V63-Q108 VanDerWaalsContact CG1-CB 3.47Å; V63-I109 HydrophobicContact CG1-CG1 4.17Å; V63-I109 HydrophobicContact CG2-CG1 3.98Å; V63-L112 HydrophobicContact CG1-CD2 4.28Å |
| 64 | L | 97.4 | Very high | 97.3 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 15% | 0.147 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -46.6 | 177.6 | -71.7 | -164.7 | 0 | 0 | 0 | 113.2 | W60 L61 A62 F66 K67 N68 Q108 | W60-L64 HydrophobicContact CD2-CD1 4.21Å; W60-L64 HydrophobicContact CD2-CG 4.22Å; W60-L64 HydrophobicContact CE3-CD1 3.72Å; W60-L64 HydrophobicContact CE3-CG 4.12Å; W60-L64 HydrophobicContact CH2-CD1 3.25Å; W60-L64 HydrophobicContact CH2-CG 4.17Å; W60-L64 HydrophobicContact CZ2-CD1 3.72Å; W60-L64 HydrophobicContact CZ2-CD2 4.26Å; W60-L64 HydrophobicContact CZ2-CG 4.19Å; W60-L64 HydrophobicContact CZ3-CD1 3.22Å; W60-L64 HydrophobicContact CZ3-CG 4.1Å; W60-L64 PolarHBondContact O-N 3.15Å; W60-L64 VanDerWaalsContact O-N 3.08Å; L61-L64 WeakPolarHBondContact O-CB 3.4Å; L61-L64 PolarHBondContact O-N 3.49Å; L61-L64 VanDerWaalsContact O-N 3.1Å; A62-L64 VanDerWaalsContact C-N 3.27Å; A62-L64 PolarHBondContact O-N 2.88Å; L64-F66 VanDerWaalsContact C-N 3.3Å; L64-F66 PolarHBondContact O-N 3.13Å; L64-K67 VanDerWaalsContact CD2-NZ 3.29Å; L64-K67 PolarHBondContact O-N 3.19Å; L64-N68 WeakPolarHBondContact O-CB 3.49Å; L64-N68 PolarHBondContact O-N 2.72Å; L64-N68 PolarHBondContact O-ND2 3.43Å; L64-Q108 HydrophobicContact CD2-CG 4.35Å |
| 65 | Y | 98.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 9% | 0.09 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 175.5 | -90 | -82.4 | 0 | 0 | 0 | 110.9 | L14 L32 E36 L61 A62 K67 N68 G69 | L14-Y65 HydrophobicContact CD2-CD2 4.05Å; L14-Y65 HydrophobicContact CD2-CE2 4.3Å; L32-Y65 HydrophobicContact CB-CE1 3.82Å; L32-Y65 HydrophobicContact CB-CE2 4.4Å; L32-Y65 HydrophobicContact CD1-CE2 3.73Å; E36-Y65 HydrophobicContact CG-CD1 4.45Å; L61-Y65 HydrophobicContact CD1-CD2 3.98Å; L61-Y65 HydrophobicContact CD1-CE2 3.75Å; L61-Y65 HydrophobicContact CD2-CE2 4.28Å; L61-Y65 HydrophobicContact CG-CD2 3.93Å; L61-Y65 HydrophobicContact CG-CE2 3.84Å; L61-Y65 WeakPolarHBondContact O-CD2 3.22Å; L61-Y65 PolarHBondContact O-N 3.42Å; A62-Y65 PolarHBondContact O-N 3.47Å; Y65-K67 PolarHBondContact O-N 2.58Å; Y65-N68 PolarHBondContact O-N 3.16Å; Y65-G69 PolarHBondContact O-N 3.25Å |
| 66 | F | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.3 | -52.2 | 176.2 | -158.9 | 130 | 0 | 0 | 0 | 110.8 | Y42 L45 L46 F49 A62 V63 L64 N68 G69 I70 W74 L90 L112 | Y42-F66 HydrophobicContact CD1-CB 4.43Å; Y42-F66 HydrophobicContact CD1-CD1 4.23Å; Y42-F66 HydrophobicContact CD1-CD2 4.12Å; Y42-F66 HydrophobicContact CD1-CE2 4.45Å; Y42-F66 HydrophobicContact CD1-CG 4.01Å; Y42-F66 VanDerWaalsContact O-CE1 3.22Å; Y42-F66 WeakPolarHBondContact O-CE1 3.2Å; L45-F66 HydrophobicContact CB-CD1 4.05Å; L45-F66 HydrophobicContact CD1-CB 4.13Å; L46-F66 HydrophobicContact CB-CE1 4.04Å; F49-F66 HydrophobicContact CE1-CB 4.32Å; F49-F66 AromaticContact CE1-CD1 3.69Å; F49-F66 HydrophobicContact CE1-CD1 3.69Å; F49-F66 HydrophobicContact CE1-CE1 4.37Å; F49-F66 HydrophobicContact CE1-CG 4.28Å; F49-F66 HydrophobicContact CZ-CD1 4.29Å; A62-F66 PolarHBondContact O-N 3.33Å; V63-F66 PolarHBondContact O-N 3.39Å; L64-F66 VanDerWaalsContact C-N 3.3Å; L64-F66 PolarHBondContact O-N 3.13Å; F66-N68 VanDerWaalsContact C-N 3.27Å; F66-N68 PolarHBondContact O-N 3.06Å; F66-G69 WeakPolarHBondContact O-CA 3.29Å; F66-G69 PolarHBondContact O-N 2.93Å; F66-I70 HydrophobicContact CD2-CD1 3.89Å; F66-I70 HydrophobicContact CD2-CG1 4.29Å; F66-I70 HydrophobicContact CE2-CD1 3.66Å; F66-I70 HydrophobicContact CE2-CG1 4.5Å; F66-I70 PolarHBondContact O-N 3.34Å; F66-I70 VanDerWaalsContact O-N 3.12Å; F66-W74 HydrophobicContact CE2-CZ3 4.48Å; F66-L90 HydrophobicContact CE1-CD2 3.88Å; F66-L90 HydrophobicContact CZ-CB 4.12Å; F66-L90 HydrophobicContact CZ-CD1 3.88Å; F66-L90 HydrophobicContact CZ-CD2 3.79Å; F66-L90 HydrophobicContact CZ-CG 4.13Å; F66-L112 HydrophobicContact CB-CD2 4.07Å; F66-L112 HydrophobicContact CD1-CD2 4.42Å; F66-L112 HydrophobicContact CD2-CD1 3.42Å; F66-L112 VanDerWaalsContact CD2-CD1 3.42Å; F66-L112 HydrophobicContact CD2-CD2 3.79Å; F66-L112 HydrophobicContact CD2-CG 4.22Å; F66-L112 HydrophobicContact CE2-CD1 3.91Å; F66-L112 HydrophobicContact CE2-CD2 4.34Å; F66-L112 HydrophobicContact CG-CD1 4.22Å; F66-L112 HydrophobicContact CG-CD2 3.83Å |
| 67 | K | 97.6 | Very high | 96.8 | Very high | 36 Ų | 36 | 47.5 Ų | 47.5 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.5 | -40.6 | -179.8 | -173.7 | -171.2 | 65.7 | -176.9 | 0 | 112.5 | V63 L64 Y65 I70 V111 L112 K115 | V63-K67 VanDerWaalsContact O-CB 3.23Å; V63-K67 WeakPolarHBondContact O-CB 3.49Å; V63-K67 PolarHBondContact O-N 3.22Å; L64-K67 VanDerWaalsContact CD2-NZ 3.29Å; L64-K67 PolarHBondContact O-N 3.19Å; Y65-K67 PolarHBondContact O-N 2.58Å; K67-I70 PolarHBondContact O-N 3.02Å; K67-V111 HydrophobicContact CD-CG1 4Å; K67-L112 HydrophobicContact CB-CB 4.49Å; K67-L112 HydrophobicContact CB-CD1 4.39Å; K67-K115 HydrophobicContact CD-CD 4.36Å; K67-K115 HydrophobicContact CG-CD 3.61Å |
| 68 | N | 96.5 | Very high | 96.6 | Very high | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.342 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -70.2 | -37.6 | 177.1 | -67.6 | -16.1 | 0 | 0 | 0 | 111.5 | L64 Y65 F66 I70 D71 R72 | L64-N68 WeakPolarHBondContact O-CB 3.49Å; L64-N68 PolarHBondContact O-N 2.72Å; L64-N68 PolarHBondContact O-ND2 3.43Å; Y65-N68 PolarHBondContact O-N 3.16Å; F66-N68 VanDerWaalsContact C-N 3.27Å; F66-N68 PolarHBondContact O-N 3.06Å; N68-I70 VanDerWaalsContact C-N 3.25Å; N68-I70 PolarHBondContact O-N 3.04Å; N68-D71 PolarHBondContact O-N 3.41Å; N68-R72 PolarHBondContact O-N 3.13Å |
| 69 | G | 97.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.7 | -32.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y42 Y65 F66 D71 R72 Y73 | Y42-G69 WeakPolarHBondContact OH-CA 3.36Å; Y65-G69 PolarHBondContact O-N 3.25Å; F66-G69 WeakPolarHBondContact O-CA 3.29Å; F66-G69 PolarHBondContact O-N 2.93Å; G69-D71 VanDerWaalsContact C-N 3.31Å; G69-D71 PolarHBondContact O-N 2.74Å; G69-R72 PolarHBondContact O-N 2.84Å; G69-Y73 WeakPolarHBondContact O-CD2 2.94Å; G69-Y73 PolarHBondContact O-N 2.94Å |
| 70 | I | 97.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 175.3 | -57.7 | -52.6 | 0 | 0 | 0 | 112 | F66 K67 N68 R72 W74 L112 K115 V116 L119 | F66-I70 HydrophobicContact CD2-CD1 3.89Å; F66-I70 HydrophobicContact CD2-CG1 4.29Å; F66-I70 HydrophobicContact CE2-CD1 3.66Å; F66-I70 HydrophobicContact CE2-CG1 4.5Å; F66-I70 PolarHBondContact O-N 3.34Å; F66-I70 VanDerWaalsContact O-N 3.12Å; K67-I70 PolarHBondContact O-N 3.02Å; N68-I70 VanDerWaalsContact C-N 3.25Å; N68-I70 PolarHBondContact O-N 3.04Å; I70-R72 VanDerWaalsContact C-N 3.27Å; I70-R72 PolarHBondContact O-N 3.02Å; I70-W74 HydrophobicContact CD1-CD2 3.97Å; I70-W74 HydrophobicContact CD1-CE3 3.28Å; I70-W74 HydrophobicContact CD1-CZ3 3.63Å; I70-W74 HydrophobicContact CG2-CB 4.12Å; I70-W74 HydrophobicContact CG2-CG 4.34Å; I70-W74 WeakPolarHBondContact O-CB 3.47Å; I70-W74 PolarHBondContact O-N 3.05Å; I70-L112 HydrophobicContact CD1-CD1 3.98Å; I70-L112 HydrophobicContact CG1-CD1 3.48Å; I70-L112 VanDerWaalsContact CG1-CD1 3.48Å; I70-K115 HydrophobicContact CG2-CB 4.07Å; I70-V116 HydrophobicContact CD1-CG2 3.48Å; I70-V116 VanDerWaalsContact CD1-CG2 3.48Å; I70-V116 HydrophobicContact CG1-CG2 3.93Å; I70-V116 HydrophobicContact CG2-CG2 4.28Å; I70-L119 HydrophobicContact CG2-CD1 3.96Å |
| 71 | D | 93.6 | Very high | 96.2 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 40% | 0.401 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.1 | -30.2 | -176.8 | -65.2 | -41.3 | 0 | 0 | 0 | 111.9 | N68 G69 R75 K115 | N68-D71 PolarHBondContact O-N 3.41Å; G69-D71 VanDerWaalsContact C-N 3.31Å; G69-D71 PolarHBondContact O-N 2.74Å; D71-R75 PolarHBondContact O-NH1 3.06Å; D71-K115 IonicContact OD1-NZ 3.47Å; D71-K115 PolarHBondContact OD1-NZ 2.83Å; D71-K115 IonicContact OD2-NZ 2.58Å; D71-K115 PolarHBondContact OD2-NZ 3.06Å |
| 72 | R | 95.8 | Very high | 96.1 | Very high | 116 Ų | 116 | 52.6 Ų | 52.6 | 44% | 0.438 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -88.9 | -46.1 | -174.1 | -65.7 | 178.9 | -173.4 | 173.6 | 4.7 | 113.2 | E36 N68 G69 I70 A78 | E36-R72 VanDerWaalsContact CD-NH1 3.28Å; E36-R72 IonicContact OE1-NH1 3.91Å; E36-R72 PolarHBondContact OE1-NH1 2.97Å; E36-R72 IonicContact OE2-CZ 3.06Å; E36-R72 IonicContact OE2-NH1 3.75Å; E36-R72 PolarHBondContact OE2-NH1 2.93Å; N68-R72 PolarHBondContact O-N 3.13Å; G69-R72 PolarHBondContact O-N 2.84Å; I70-R72 VanDerWaalsContact C-N 3.27Å; I70-R72 PolarHBondContact O-N 3.02Å; R72-A78 WeakPolarHBondContact O-CB 3.39Å |
| 73 | Y | 97.4 | Very high | 96 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 13% | 0.125 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -122.7 | -3.7 | -163 | -48.6 | -70.6 | 0 | 0 | 0 | 114.7 | E36 T37 Y42 G69 P79 H80 A81 L82 | E36-Y73 HydrophobicContact CB-CE2 3.82Å; E36-Y73 WeakPolarHBondContact OE2-CE2 3.39Å; E36-Y73 PolarHBondContact OE2-OH 3.1Å; T37-Y73 HydrophobicContact CG2-CD1 4.48Å; T37-Y73 HydrophobicContact CG2-CE1 3.78Å; Y42-Y73 WeakPolarHBondContact OH-CD2 3.45Å; Y42-Y73 VanDerWaalsContact OH-CE2 3.29Å; Y42-Y73 WeakPolarHBondContact OH-CE2 3.27Å; G69-Y73 WeakPolarHBondContact O-CD2 2.94Å; G69-Y73 PolarHBondContact O-N 2.94Å; Y73-P79 WeakPolarHBondContact CD1-O 3.15Å; Y73-H80 HydrophobicContact CD1-CB 4.29Å; Y73-H80 HydrophobicContact CE1-CB 4.5Å; Y73-A81 VanDerWaalsContact O-CA 3.27Å; Y73-A81 WeakPolarHBondContact O-CA 3.5Å; Y73-L82 PolarHBondContact O-N 3.48Å |
| 74 | W | 97.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -77.7 | -32.4 | -176.3 | -159.7 | -89.5 | 0 | 0 | 0 | 113.9 | F66 I70 L82 K87 L90 R91 V116 L119 D120 | F66-W74 HydrophobicContact CE2-CZ3 4.48Å; I70-W74 HydrophobicContact CD1-CD2 3.97Å; I70-W74 HydrophobicContact CD1-CE3 3.28Å; I70-W74 HydrophobicContact CD1-CZ3 3.63Å; I70-W74 HydrophobicContact CG2-CB 4.12Å; I70-W74 HydrophobicContact CG2-CG 4.34Å; I70-W74 WeakPolarHBondContact O-CB 3.47Å; I70-W74 PolarHBondContact O-N 3.05Å; W74-L82 HydrophobicContact CE3-CD1 3.8Å; W74-L82 HydrophobicContact CZ3-CD1 4.04Å; W74-K87 HydrophobicContact CD2-CD 4.35Å; W74-K87 HydrophobicContact CD2-CG 4.19Å; W74-K87 HydrophobicContact CE3-CG 4.24Å; W74-K87 HydrophobicContact CH2-CB 3.98Å; W74-K87 HydrophobicContact CH2-CG 3.92Å; W74-K87 HydrophobicContact CZ2-CB 3.87Å; W74-K87 HydrophobicContact CZ2-CD 4.3Å; W74-K87 HydrophobicContact CZ2-CG 3.82Å; W74-K87 HydrophobicContact CZ3-CG 4.12Å; W74-K87 WeakPolarHBondContact O-CE 3.49Å; W74-K87 PolarHBondContact O-NZ 2.92Å; W74-L90 HydrophobicContact CH2-CB 4.19Å; W74-L90 HydrophobicContact CH2-CD1 4.41Å; W74-L90 HydrophobicContact CZ3-CB 4.45Å; W74-L90 HydrophobicContact CZ3-CD1 3.91Å; W74-R91 HydrophobicContact CH2-CG 4.25Å; W74-R91 HydrophobicContact CZ2-CG 4.02Å; W74-V116 HydrophobicContact CH2-CG1 4Å; W74-V116 HydrophobicContact CH2-CG2 4.24Å; W74-V116 HydrophobicContact CZ2-CB 4.46Å; W74-V116 HydrophobicContact CZ2-CG1 3.39Å; W74-V116 HydrophobicContact CZ2-CG2 4.26Å; W74-V116 HydrophobicContact CZ3-CG2 4.42Å; W74-L119 HydrophobicContact CB-CD1 3.88Å; W74-L119 VanDerWaalsContact CD1-CD1 3.44Å; W74-L119 HydrophobicContact CG-CD1 3.84Å; W74-D120 WeakPolarHBondContact CZ2-OD2 3.44Å; W74-D120 VanDerWaalsContact NE1-CG 3.3Å; W74-D120 PolarHBondContact NE1-OD1 3.25Å; W74-D120 PolarHBondContact NE1-OD2 3.49Å |
| 75 | R | 95.3 | Very high | 95.8 | Very high | 138 Ų | 138 | 63 Ų | 63 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -73.6 | 137.4 | -178.8 | -63.5 | -170.9 | -169.7 | 88.2 | 2.4 | 110 | D71 A77 A78 A81 | D71-R75 PolarHBondContact O-NH1 3.06Å; R75-A77 PolarHBondContact O-N 3.3Å; R75-A77 VanDerWaalsContact O-N 3.12Å; R75-A78 WeakPolarHBondContact O-CB 3.26Å; R75-A78 PolarHBondContact O-N 2.93Å; R75-A81 WeakPolarHBondContact O-CB 3.47Å |
| 76 | R | 91.8 | Very high | 95.7 | Very high | 173 Ų | 173 | 63.1 Ų | 63.1 | 65% | 0.653 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -31.1 | 179.2 | -67.4 | -176.3 | -179.4 | 174.9 | 1.9 | 114.3 | A78 E84 | R76-A78 VanDerWaalsContact C-N 3.31Å; R76-E84 IonicContact CZ-OE1 3.63Å; R76-E84 IonicContact CZ-OE2 3.49Å; R76-E84 IonicContact NE-OE1 2.77Å; R76-E84 PolarHBondContact NE-OE1 3.21Å; R76-E84 IonicContact NE-OE2 3.53Å; R76-E84 PolarHBondContact NE-OE2 2.58Å; R76-E84 VanDerWaalsContact NH2-CD 3.33Å; R76-E84 IonicContact NH2-OE1 3.55Å; R76-E84 IonicContact NH2-OE2 2.69Å; R76-E84 PolarHBondContact NH2-OE2 3.08Å |
| 77 | A | 93.8 | Very high | 95.7 | Very high | 103 Ų | 103 | 63.4 Ų | 63.4 | 85% | 0.851 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R75 | R75-A77 PolarHBondContact O-N 3.3Å; R75-A77 VanDerWaalsContact O-N 3.12Å |
| 78 | A | 93.6 | Very high | 95.7 | Very high | 21 Ų | 21 | 65 Ų | 65 | 17% | 0.174 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -72.3 | 144.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | R72 R75 R76 H80 A81 | R72-A78 WeakPolarHBondContact O-CB 3.39Å; R75-A78 WeakPolarHBondContact O-CB 3.26Å; R75-A78 PolarHBondContact O-N 2.93Å; R76-A78 VanDerWaalsContact C-N 3.31Å; A78-H80 PolarHBondContact O-N 3.41Å; A78-A81 HydrophobicContact CB-CB 4.29Å; A78-A81 WeakPolarHBondContact O-CB 3.29Å; A78-A81 PolarHBondContact O-N 3Å |
| 79 | P | 93.1 | Very high | 95.7 | Very high | 102 Ų | 102 | 65.5 Ų | 65.5 | 66% | 0.662 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 133.8 | 164.6 | -20.9 | 32.7 | 0 | 0 | 0 | 110 | Y73 A81 | Y73-P79 WeakPolarHBondContact CD1-O 3.15Å; P79-A81 PolarHBondContact O-N 3.21Å |
| 80 | H | 94.6 | Very high | 95.8 | Very high | 134 Ų | 134 | 65.5 Ų | 65.5 | 62% | 0.62 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 38.7 | -177.1 | -47.9 | -73.7 | 0 | 0 | 0 | 113.2 | T37 Y73 A78 | T37-H80 HydrophobicContact CG2-CB 3.66Å; Y73-H80 HydrophobicContact CD1-CB 4.29Å; Y73-H80 HydrophobicContact CE1-CB 4.5Å; A78-H80 PolarHBondContact O-N 3.41Å |
| 81 | A | 96.2 | Very high | 95.8 | Very high | 37 Ų | 37 | 66.1 Ų | 66.1 | 31% | 0.306 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 141.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y73 R75 A78 P79 | Y73-A81 VanDerWaalsContact O-CA 3.27Å; Y73-A81 WeakPolarHBondContact O-CA 3.5Å; R75-A81 WeakPolarHBondContact O-CB 3.47Å; A78-A81 HydrophobicContact CB-CB 4.29Å; A78-A81 WeakPolarHBondContact O-CB 3.29Å; A78-A81 PolarHBondContact O-N 3Å; P79-A81 PolarHBondContact O-N 3.21Å |
| 82 | L | 96.6 | Very high | 96 | Very high | 14 Ų | 14 | 64.9 Ų | 64.9 | 7% | 0.073 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 144.1 | 173 | -60 | 177.2 | 0 | 0 | 0 | 110.4 | Y42 Y73 W74 K87 L90 | Y42-L82 HydrophobicContact CD2-CD1 3.93Å; Y42-L82 HydrophobicContact CD2-CD2 3.6Å; Y42-L82 HydrophobicContact CD2-CG 4.38Å; Y42-L82 HydrophobicContact CE2-CD1 4.26Å; Y42-L82 HydrophobicContact CE2-CD2 3.71Å; Y42-L82 HydrophobicContact CE2-CG 4.45Å; Y42-L82 HydrophobicContact CG-CD1 4.45Å; Y73-L82 PolarHBondContact O-N 3.48Å; W74-L82 HydrophobicContact CE3-CD1 3.8Å; W74-L82 HydrophobicContact CZ3-CD1 4.04Å; L82-K87 HydrophobicContact CB-CG 4.04Å; L82-K87 WeakPolarHBondContact O-CE 3.47Å; L82-K87 PolarHBondContact O-NZ 3.12Å; L82-L90 HydrophobicContact CD1-CD1 4.09Å |
| 83 | S | 96.2 | Very high | 96.1 | Very high | 54 Ų | 54 | 60.1 Ų | 60.1 | 38% | 0.378 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 157.7 | 174.5 | 78.3 | 0 | 0 | 0 | 0 | 111 | E85 E86 K87 | S83-E85 VanDerWaalsContact C-N 3.27Å; S83-E85 VanDerWaalsContact CB-OE2 3.3Å; S83-E85 WeakPolarHBondContact CB-OE2 3.27Å; S83-E85 PolarHBondContact O-N 3.49Å; S83-E85 PolarHBondContact OG-OE2 2.78Å; S83-E86 PolarHBondContact O-N 3.19Å; S83-E86 WeakPolarHBondContact OG-CB 3.36Å; S83-E86 PolarHBondContact OG-N 3.29Å; S83-E86 VanDerWaalsContact OG-N 3.13Å; S83-K87 WeakPolarHBondContact O-CG 3.46Å; S83-K87 PolarHBondContact O-N 3.28Å |
| 84 | E | 95.4 | Very high | 96.1 | Very high | 56 Ų | 56 | 58.9 Ų | 58.9 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.3 | -29.1 | 179.4 | -63.4 | -68.1 | 126 | 0 | 0 | 111.3 | R76 K87 T88 | R76-E84 IonicContact CZ-OE1 3.63Å; R76-E84 IonicContact CZ-OE2 3.49Å; R76-E84 IonicContact NE-OE1 2.77Å; R76-E84 PolarHBondContact NE-OE1 3.21Å; R76-E84 IonicContact NE-OE2 3.53Å; R76-E84 PolarHBondContact NE-OE2 2.58Å; R76-E84 VanDerWaalsContact NH2-CD 3.33Å; R76-E84 IonicContact NH2-OE1 3.55Å; R76-E84 IonicContact NH2-OE2 2.69Å; R76-E84 PolarHBondContact NH2-OE2 3.08Å; E84-K87 IonicContact OE1-NZ 3.74Å; E84-K87 PolarHBondContact OE1-NZ 3.01Å; E84-T88 WeakPolarHBondContact O-CB 3.46Å; E84-T88 PolarHBondContact O-N 3.39Å; E84-T88 PolarHBondContact O-OG1 3.12Å |
| 85 | E | 96.4 | Very high | 96 | Very high | 138 Ų | 138 | 59.3 Ų | 59.3 | 65% | 0.645 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 173.2 | -60.7 | 72.2 | -155.2 | 0 | 0 | 111 | S83 T88 S89 | S83-E85 VanDerWaalsContact C-N 3.27Å; S83-E85 VanDerWaalsContact CB-OE2 3.3Å; S83-E85 WeakPolarHBondContact CB-OE2 3.27Å; S83-E85 PolarHBondContact O-N 3.49Å; S83-E85 PolarHBondContact OG-OE2 2.78Å; E85-T88 PolarHBondContact O-N 3.06Å; E85-S89 PolarHBondContact O-N 2.8Å; E85-S89 VanDerWaalsContact O-N 3.12Å; E85-S89 PolarHBondContact O-OG 2.96Å |
| 86 | E | 96.7 | Very high | 95.8 | Very high | 24 Ų | 24 | 57.9 Ų | 57.9 | 11% | 0.112 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.2 | -48.4 | 176.9 | -174.9 | 169.5 | -169.1 | 0 | 0 | 110.3 | G40 S83 T88 S89 L90 | G40-E86 WeakPolarHBondContact CA-OE1 3.46Å; G40-E86 PolarHBondContact N-OE1 3.44Å; S83-E86 PolarHBondContact O-N 3.19Å; S83-E86 WeakPolarHBondContact OG-CB 3.36Å; S83-E86 PolarHBondContact OG-N 3.29Å; S83-E86 VanDerWaalsContact OG-N 3.13Å; E86-T88 VanDerWaalsContact C-N 3.27Å; E86-T88 PolarHBondContact O-N 2.88Å; E86-S89 PolarHBondContact O-N 3.48Å; E86-S89 VanDerWaalsContact O-N 3.13Å; E86-L90 HydrophobicContact CG-CD1 3.96Å; E86-L90 HydrophobicContact CG-CG 4.25Å; E86-L90 VanDerWaalsContact O-CG 3.26Å; E86-L90 WeakPolarHBondContact O-CG 3.12Å; E86-L90 PolarHBondContact O-N 3.2Å |
| 87 | K | 97.9 | Very high | 95.4 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -56.3 | -41 | 176.3 | -71.1 | 173.3 | -165.1 | 164.9 | 0 | 112.7 | W74 L82 S83 E84 L90 R91 | W74-K87 HydrophobicContact CD2-CD 4.35Å; W74-K87 HydrophobicContact CD2-CG 4.19Å; W74-K87 HydrophobicContact CE3-CG 4.24Å; W74-K87 HydrophobicContact CH2-CB 3.98Å; W74-K87 HydrophobicContact CH2-CG 3.92Å; W74-K87 HydrophobicContact CZ2-CB 3.87Å; W74-K87 HydrophobicContact CZ2-CD 4.3Å; W74-K87 HydrophobicContact CZ2-CG 3.82Å; W74-K87 HydrophobicContact CZ3-CG 4.12Å; W74-K87 WeakPolarHBondContact O-CE 3.49Å; W74-K87 PolarHBondContact O-NZ 2.92Å; L82-K87 HydrophobicContact CB-CG 4.04Å; L82-K87 WeakPolarHBondContact O-CE 3.47Å; L82-K87 PolarHBondContact O-NZ 3.12Å; S83-K87 WeakPolarHBondContact O-CG 3.46Å; S83-K87 PolarHBondContact O-N 3.28Å; E84-K87 IonicContact OE1-NZ 3.74Å; E84-K87 PolarHBondContact OE1-NZ 3.01Å; K87-L90 PolarHBondContact O-N 3.33Å; K87-R91 WeakPolarHBondContact O-CB 3.22Å; K87-R91 VanDerWaalsContact O-CG 3.25Å; K87-R91 WeakPolarHBondContact O-CG 3.41Å; K87-R91 PolarHBondContact O-N 2.9Å; K87-R91 PolarHBondContact O-NE 2.84Å |
| 88 | T | 97.3 | Very high | 95.4 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 179 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | E84 E85 E86 R91 A92 | E84-T88 WeakPolarHBondContact O-CB 3.46Å; E84-T88 PolarHBondContact O-N 3.39Å; E84-T88 PolarHBondContact O-OG1 3.12Å; E85-T88 PolarHBondContact O-N 3.06Å; E86-T88 VanDerWaalsContact C-N 3.27Å; E86-T88 PolarHBondContact O-N 2.88Å; T88-R91 PolarHBondContact O-N 3.12Å; T88-R91 PolarHBondContact OG1-NH2 3.43Å; T88-R91 VanDerWaalsContact OG1-NH2 3.13Å; T88-A92 PolarHBondContact O-N 3.41Å |
| 89 | S | 97.1 | Very high | 95.5 | Very high | 75 Ų | 75 | 50.8 Ų | 50.8 | 52% | 0.524 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.4 | -55 | 0 | 0 | 0 | 0 | 111.9 | E85 E86 A92 G93 | E85-S89 PolarHBondContact O-N 2.8Å; E85-S89 VanDerWaalsContact O-N 3.12Å; E85-S89 PolarHBondContact O-OG 2.96Å; E86-S89 PolarHBondContact O-N 3.48Å; E86-S89 VanDerWaalsContact O-N 3.13Å; S89-A92 PolarHBondContact O-N 3.35Å; S89-G93 PolarHBondContact O-N 3.43Å |
| 90 | L | 98 | Very high | 95.7 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 177.4 | -67.8 | 177 | 0 | 0 | 0 | 112.1 | L46 F66 W74 L82 E86 K87 G93 L94 | L46-L90 HydrophobicContact CD2-CD2 4.36Å; F66-L90 HydrophobicContact CE1-CD2 3.88Å; F66-L90 HydrophobicContact CZ-CB 4.12Å; F66-L90 HydrophobicContact CZ-CD1 3.88Å; F66-L90 HydrophobicContact CZ-CD2 3.79Å; F66-L90 HydrophobicContact CZ-CG 4.13Å; W74-L90 HydrophobicContact CH2-CB 4.19Å; W74-L90 HydrophobicContact CH2-CD1 4.41Å; W74-L90 HydrophobicContact CZ3-CB 4.45Å; W74-L90 HydrophobicContact CZ3-CD1 3.91Å; L82-L90 HydrophobicContact CD1-CD1 4.09Å; E86-L90 HydrophobicContact CG-CD1 3.96Å; E86-L90 HydrophobicContact CG-CG 4.25Å; E86-L90 VanDerWaalsContact O-CG 3.26Å; E86-L90 WeakPolarHBondContact O-CG 3.12Å; E86-L90 PolarHBondContact O-N 3.2Å; K87-L90 PolarHBondContact O-N 3.33Å; L90-G93 PolarHBondContact O-N 3.31Å; L90-L94 WeakPolarHBondContact O-CB 3.32Å; L90-L94 VanDerWaalsContact O-CG 3.24Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 3.31Å |
| 91 | R | 98.4 | Very high | 95.8 | Very high | 15 Ų | 15 | 43.2 Ų | 43.2 | 6% | 0.057 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -49.1 | 175.4 | -78.8 | -176 | -60.9 | 117.6 | -13.2 | 111.4 | W74 K87 T88 G93 L94 V116 Q124 W125 E127 | W74-R91 HydrophobicContact CH2-CG 4.25Å; W74-R91 HydrophobicContact CZ2-CG 4.02Å; K87-R91 WeakPolarHBondContact O-CB 3.22Å; K87-R91 VanDerWaalsContact O-CG 3.25Å; K87-R91 WeakPolarHBondContact O-CG 3.41Å; K87-R91 PolarHBondContact O-N 2.9Å; K87-R91 PolarHBondContact O-NE 2.84Å; T88-R91 PolarHBondContact O-N 3.12Å; T88-R91 PolarHBondContact OG1-NH2 3.43Å; T88-R91 VanDerWaalsContact OG1-NH2 3.13Å; R91-G93 VanDerWaalsContact C-N 3.32Å; R91-G93 PolarHBondContact O-N 3.15Å; R91-L94 PolarHBondContact O-N 3.41Å; R91-V116 HydrophobicContact CG-CG1 4.08Å; R91-Q124 PolarHBondContact NH1-O 3.2Å; R91-Q124 PolarHBondContact NH2-O 3.42Å; R91-W125 HydrophobicContact CB-CD2 4.1Å; R91-W125 HydrophobicContact CB-CG 4.45Å; R91-W125 HydrophobicContact CB-CH2 4.48Å; R91-W125 HydrophobicContact CB-CZ2 3.8Å; R91-W125 HydrophobicContact CG-CD2 3.77Å; R91-W125 HydrophobicContact CG-CE3 4.04Å; R91-W125 HydrophobicContact CG-CG 4.22Å; R91-W125 HydrophobicContact CG-CH2 4.27Å; R91-W125 HydrophobicContact CG-CZ2 4.01Å; R91-W125 HydrophobicContact CG-CZ3 4.3Å; R91-W125 WeakPolarHBondContact O-CZ2 3.27Å; R91-E127 IonicContact NH1-OE1 2.78Å |
| 92 | A | 97.1 | Very high | 95.9 | Very high | 49 Ų | 49 | 43.4 Ų | 43.4 | 41% | 0.405 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.6 | -47.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T88 S89 L94 I95 T96 | T88-A92 PolarHBondContact O-N 3.41Å; S89-A92 PolarHBondContact O-N 3.35Å; A92-L94 PolarHBondContact O-N 3.4Å; A92-I95 WeakPolarHBondContact O-CG1 3.18Å; A92-I95 PolarHBondContact O-N 2.9Å; A92-T96 PolarHBondContact O-N 3.48Å; A92-T96 PolarHBondContact O-OG1 3.3Å |
| 93 | G | 97.2 | Very high | 95.9 | Very high | 17 Ų | 17 | 47 Ų | 47 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63 | -36.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S89 L90 R91 I95 T96 | S89-G93 PolarHBondContact O-N 3.43Å; L90-G93 PolarHBondContact O-N 3.31Å; R91-G93 VanDerWaalsContact C-N 3.32Å; R91-G93 PolarHBondContact O-N 3.15Å; G93-I95 PolarHBondContact O-N 2.84Å; G93-T96 WeakPolarHBondContact CA-OG1 3.37Å; G93-T96 PolarHBondContact O-N 2.71Å |
| 94 | L | 97.7 | Very high | 95.9 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -22 | 178.4 | -79.5 | 171 | 0 | 0 | 0 | 114.2 | L46 F49 L90 R91 A92 L112 I113 V116 W125 | L46-L94 HydrophobicContact CD1-CD2 4.2Å; F49-L94 HydrophobicContact CZ-CD2 4.15Å; L90-L94 WeakPolarHBondContact O-CB 3.32Å; L90-L94 VanDerWaalsContact O-CG 3.24Å; L90-L94 WeakPolarHBondContact O-CG 3.38Å; L90-L94 PolarHBondContact O-N 3.31Å; R91-L94 PolarHBondContact O-N 3.41Å; A92-L94 PolarHBondContact O-N 3.4Å; L94-L112 HydrophobicContact CD2-CD2 3.72Å; L94-L112 HydrophobicContact CD2-CG 4.1Å; L94-I113 HydrophobicContact CB-CG1 4.15Å; L94-I113 HydrophobicContact CD2-CG1 4.19Å; L94-I113 WeakPolarHBondContact O-CD1 3.3Å; L94-V116 HydrophobicContact CD1-CG2 4.24Å; L94-W125 HydrophobicContact CB-CH2 4.09Å; L94-W125 HydrophobicContact CB-CZ2 4.34Å; L94-W125 HydrophobicContact CD1-CH2 4.1Å |
| 95 | I | 95.8 | Very high | 96 | Very high | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 9.6 | -178.6 | 63.8 | -177.4 | 0 | 0 | 0 | 113 | A92 G93 F98 W125 E127 L128 I131 | A92-I95 WeakPolarHBondContact O-CG1 3.18Å; A92-I95 PolarHBondContact O-N 2.9Å; G93-I95 PolarHBondContact O-N 2.84Å; I95-F98 HydrophobicContact CB-CZ 4.25Å; I95-F98 HydrophobicContact CG2-CZ 4.25Å; I95-W125 HydrophobicContact CD1-CZ2 4.19Å; I95-W125 HydrophobicContact CG1-CZ2 4.45Å; I95-W125 HydrophobicContact CG2-CH2 4.13Å; I95-W125 HydrophobicContact CG2-CZ2 3.55Å; I95-E127 HydrophobicContact CD1-CG 3.71Å; I95-L128 HydrophobicContact CG2-CD1 3.56Å; I95-I131 HydrophobicContact CB-CG2 4.28Å; I95-I131 HydrophobicContact CD1-CD1 3.48Å; I95-I131 VanDerWaalsContact CD1-CD1 3.48Å; I95-I131 HydrophobicContact CG1-CD1 4.19Å |
| 96 | T | 91.1 | Very high | 96.1 | Very high | 109 Ų | 109 | 40.7 Ų | 40.7 | 67% | 0.669 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -71.6 | -34 | -178.4 | -61.8 | 0 | 0 | 0 | 0 | 112 | A92 G93 | A92-T96 PolarHBondContact O-N 3.48Å; A92-T96 PolarHBondContact O-OG1 3.3Å; G93-T96 WeakPolarHBondContact CA-OG1 3.37Å; G93-T96 PolarHBondContact O-N 2.71Å |
| 97 | N | 84.1 | Confident | 96.2 | Very high | 83 Ų | 83 | 42 Ų | 42 | 44% | 0.444 | 25% | 0.25 | S | C | . | . | trans | -152.6 | 130.8 | -176.4 | -159.7 | -6.9 | 0 | 0 | 0 | 112.4 | N99 | N97-N99 VanDerWaalsContact CG-OD1 3.29Å; N97-N99 PolarHBondContact ND2-ND2 3.01Å; N97-N99 PolarHBondContact ND2-OD1 2.89Å; N97-N99 WeakPolarHBondContact OD1-CB 3.32Å; N97-N99 VanDerWaalsContact OD1-CG 3.28Å; N97-N99 PolarHBondContact OD1-OD1 2.65Å | ||
| 98 | F | 93.8 | Very high | 96.2 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | trans | -107.5 | 45.8 | 178.4 | -62.5 | -71.4 | 0 | 0 | 0 | 111.6 | I95 I113 I131 L132 L143 R146 A147 T150 | I95-F98 HydrophobicContact CB-CZ 4.25Å; I95-F98 HydrophobicContact CG2-CZ 4.25Å; F98-I113 HydrophobicContact CE1-CD1 4.15Å; F98-I131 HydrophobicContact CE2-CG2 3.99Å; F98-L132 HydrophobicContact CE1-CD2 3.82Å; F98-L132 HydrophobicContact CE2-CD2 4.07Å; F98-L132 HydrophobicContact CZ-CD2 3.44Å; F98-L132 VanDerWaalsContact CZ-CD2 3.44Å; F98-L132 HydrophobicContact CZ-CG 4.34Å; F98-L143 VanDerWaalsContact C-CD2 3.47Å; F98-L143 HydrophobicContact CB-CD2 3.8Å; F98-L143 WeakPolarHBondContact O-CA 3.3Å; F98-L143 WeakPolarHBondContact O-CD2 3.43Å; F98-R146 HydrophobicContact CB-CB 3.81Å; F98-R146 WeakPolarHBondContact O-CB 3.33Å; F98-R146 WeakPolarHBondContact O-CG 3.43Å; F98-A147 HydrophobicContact CD2-CB 4.3Å; F98-A147 HydrophobicContact CG-CB 4.4Å; F98-T150 HydrophobicContact CE1-CG2 4.22Å | ||
| 99 | N | 95.5 | Very high | 96.3 | Very high | 53 Ų | 53 | 41.1 Ų | 41.1 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | trans | -108.5 | 16 | -170.3 | 69.4 | -22.2 | 0 | 0 | 0 | 114.8 | H52 N97 P101 L142 L143 | H52-N99 PolarHBondContact CE1-O 3.01Å; H52-N99 VanDerWaalsContact CE1-O 3.31Å; H52-N99 PolarHBondContact CE1-OD1 3.2Å; N97-N99 VanDerWaalsContact CG-OD1 3.29Å; N97-N99 PolarHBondContact ND2-ND2 3.01Å; N97-N99 PolarHBondContact ND2-OD1 2.89Å; N97-N99 WeakPolarHBondContact OD1-CB 3.32Å; N97-N99 VanDerWaalsContact OD1-CG 3.28Å; N97-N99 PolarHBondContact OD1-OD1 2.65Å; N99-P101 WeakPolarHBondContact O-CD 3.12Å; N99-P101 VanDerWaalsContact O-N 3.17Å; N99-L142 WeakPolarHBondContact O-CD2 3.41Å; N99-L143 HydrophobicContact CB-CD2 4.44Å | ||
| 100 | E | 97.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | trans | -57.9 | 117 | -178.8 | 171.3 | 61 | -111.9 | 0 | 0 | 111.9 | R59 V102 I105 A106 I109 R146 | R59-E100 IonicContact CZ-OE1 2.8Å; R59-E100 IonicContact CZ-OE2 2.66Å; R59-E100 IonicContact NH1-OE1 3.75Å; R59-E100 PolarHBondContact NH1-OE1 2.84Å; R59-E100 IonicContact NH1-OE2 3.71Å; R59-E100 VanDerWaalsContact NH2-CD 3.3Å; R59-E100 IonicContact NH2-OE1 2.65Å; R59-E100 PolarHBondContact NH2-OE1 3.23Å; R59-E100 IonicContact NH2-OE2 2.62Å; R59-E100 PolarHBondContact NH2-OE2 2.89Å; E100-V102 WeakPolarHBondContact CG-O 3.39Å; E100-V102 WeakPolarHBondContact OE1-CB 3.4Å; E100-V102 PolarHBondContact OE1-N 3.27Å; E100-I105 HydrophobicContact CG-CB 4.04Å; E100-I105 HydrophobicContact CG-CG2 4.23Å; E100-I105 WeakPolarHBondContact OE2-CG2 3.44Å; E100-A106 HydrophobicContact CB-CB 4.11Å; E100-A106 HydrophobicContact CG-CB 3.72Å; E100-I109 HydrophobicContact CB-CD1 4.44Å; E100-R146 PolarHBondContact O-NE 3.42Å; E100-R146 PolarHBondContact O-NH2 3.13Å; E100-R146 VanDerWaalsContact O-NH2 3.15Å | ||
| 101 | P | 96.9 | Very high | 96.4 | Very high | 69 Ų | 69 | 39.2 Ų | 39.2 | 45% | 0.448 | 23% | 0.227 | S | C | . | . | trans | -71.2 | -32.8 | 178.7 | 26.8 | -35.1 | 0 | 0 | 0 | 112.8 | H52 N99 N103 R146 | H52-P101 WeakPolarHBondContact CE1-CD 3.28Å; H52-P101 WeakPolarHBondContact ND1-CD 3.33Å; N99-P101 WeakPolarHBondContact O-CD 3.12Å; N99-P101 VanDerWaalsContact O-N 3.17Å; P101-N103 PolarHBondContact O-N 2.65Å; P101-R146 PolarHBondContact O-NH2 3.4Å; P101-R146 VanDerWaalsContact O-NH2 3.13Å | ||
| 102 | V | 97.6 | Very high | 96.4 | Very high | 41 Ų | 41 | 38.5 Ų | 38.5 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | trans | -88.1 | 113 | -172.5 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | V56 E100 Q104 I105 A106 | V56-V102 HydrophobicContact CG1-CG1 4.1Å; V56-V102 HydrophobicContact CG2-CG2 4.15Å; E100-V102 WeakPolarHBondContact CG-O 3.39Å; E100-V102 WeakPolarHBondContact OE1-CB 3.4Å; E100-V102 PolarHBondContact OE1-N 3.27Å; V102-Q104 VanDerWaalsContact C-N 3.25Å; V102-Q104 HydrophobicContact CG1-CB 4.34Å; V102-Q104 PolarHBondContact O-N 3.18Å; V102-Q104 VanDerWaalsContact O-N 3.13Å; V102-I105 HydrophobicContact CB-CB 4.33Å; V102-I105 HydrophobicContact CB-CD1 4.08Å; V102-I105 HydrophobicContact CB-CG1 4.11Å; V102-I105 HydrophobicContact CG1-CD1 4.34Å; V102-I105 HydrophobicContact CG1-CG1 4.08Å; V102-I105 HydrophobicContact CG2-CD1 4.42Å; V102-I105 PolarHBondContact O-N 2.93Å; V102-A106 PolarHBondContact O-N 3.01Å | ||
| 103 | N | 95.8 | Very high | 96.5 | Very high | 88 Ų | 88 | 36.2 Ų | 36.2 | 47% | 0.471 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -52.3 | -38.9 | -178.2 | -78 | -19.1 | 0 | 0 | 0 | 114.1 | P101 T107 R146 | P101-N103 PolarHBondContact O-N 2.65Å; N103-T107 WeakPolarHBondContact O-CB 3.32Å; N103-T107 PolarHBondContact O-N 2.92Å; N103-T107 PolarHBondContact O-OG1 3.12Å; N103-R146 PolarHBondContact OD1-NH1 3.47Å; N103-R146 PolarHBondContact OD1-NH2 2.91Å |
| 104 | Q | 96.8 | Very high | 96.5 | Very high | 111 Ų | 111 | 35.4 Ų | 35.4 | 52% | 0.519 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.8 | -43.4 | 179.7 | 179.8 | 175.5 | -26.8 | 0 | 0 | 111.9 | W60 V102 Q108 | W60-Q104 VanDerWaalsContact NE1-NE2 3.11Å; V102-Q104 VanDerWaalsContact C-N 3.25Å; V102-Q104 HydrophobicContact CG1-CB 4.34Å; V102-Q104 PolarHBondContact O-N 3.18Å; V102-Q104 VanDerWaalsContact O-N 3.13Å; Q104-Q108 PolarHBondContact O-N 3.34Å |
| 105 | I | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.7 | -44.6 | 177.5 | -57.7 | 179.7 | 0 | 0 | 0 | 109.6 | V56 R59 W60 V63 E100 V102 T107 Q108 I109 | V56-I105 HydrophobicContact CG1-CD1 4.07Å; R59-I105 HydrophobicContact CB-CD1 3.79Å; W60-I105 HydrophobicContact CB-CG1 4.25Å; V63-I105 HydrophobicContact CG2-CG2 3.93Å; E100-I105 HydrophobicContact CG-CB 4.04Å; E100-I105 HydrophobicContact CG-CG2 4.23Å; E100-I105 WeakPolarHBondContact OE2-CG2 3.44Å; V102-I105 HydrophobicContact CB-CB 4.33Å; V102-I105 HydrophobicContact CB-CD1 4.08Å; V102-I105 HydrophobicContact CB-CG1 4.11Å; V102-I105 HydrophobicContact CG1-CD1 4.34Å; V102-I105 HydrophobicContact CG1-CG1 4.08Å; V102-I105 HydrophobicContact CG2-CD1 4.42Å; V102-I105 PolarHBondContact O-N 2.93Å; I105-T107 PolarHBondContact O-N 2.92Å; I105-Q108 WeakPolarHBondContact O-CA 3.43Å; I105-Q108 PolarHBondContact O-N 3.3Å; I105-I109 HydrophobicContact CG2-CD1 3.86Å; I105-I109 HydrophobicContact CG2-CG1 4.23Å; I105-I109 WeakPolarHBondContact O-CG1 3.4Å; I105-I109 PolarHBondContact O-N 2.93Å |
| 106 | A | 98.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.8 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E100 V102 I109 A110 L149 | E100-A106 HydrophobicContact CB-CB 4.11Å; E100-A106 HydrophobicContact CG-CB 3.72Å; V102-A106 PolarHBondContact O-N 3.01Å; A106-I109 PolarHBondContact O-N 3.31Å; A106-A110 WeakPolarHBondContact O-CB 3.37Å; A106-A110 PolarHBondContact O-N 2.98Å; A106-L149 HydrophobicContact CB-CD2 4.26Å |
| 107 | T | 98.3 | Very high | 97 | Very high | 52 Ų | 52 | 31.9 Ų | 31.9 | 32% | 0.319 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.2 | -41 | 176.1 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | N103 I105 A110 V111 | N103-T107 WeakPolarHBondContact O-CB 3.32Å; N103-T107 PolarHBondContact O-N 2.92Å; N103-T107 PolarHBondContact O-OG1 3.12Å; I105-T107 PolarHBondContact O-N 2.92Å; T107-A110 PolarHBondContact O-N 3.4Å; T107-V111 VanDerWaalsContact O-CG2 3.27Å; T107-V111 WeakPolarHBondContact O-CG2 3.46Å; T107-V111 PolarHBondContact O-N 2.91Å |
| 108 | Q | 98.3 | Very high | 97.7 | Very high | 37 Ų | 37 | 32.8 Ų | 32.8 | 17% | 0.173 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.5 | -40.3 | 176.5 | -64.3 | -56.9 | -43.7 | 0 | 0 | 111.9 | V63 L64 Q104 I105 V111 L112 | V63-Q108 HydrophobicContact CB-CB 4.2Å; V63-Q108 HydrophobicContact CG1-CB 3.47Å; V63-Q108 VanDerWaalsContact CG1-CB 3.47Å; L64-Q108 HydrophobicContact CD2-CG 4.35Å; Q104-Q108 PolarHBondContact O-N 3.34Å; I105-Q108 WeakPolarHBondContact O-CA 3.43Å; I105-Q108 PolarHBondContact O-N 3.3Å; Q108-V111 PolarHBondContact O-N 3.11Å; Q108-L112 WeakPolarHBondContact O-CB 3.48Å; Q108-L112 PolarHBondContact O-N 2.86Å |
| 109 | I | 98.5 | Very high | 97.8 | Very high | 19 Ų | 19 | 35.1 Ų | 35.1 | 10% | 0.097 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 174.6 | -66.3 | 171.7 | 0 | 0 | 0 | 110.3 | F49 V63 E100 I105 A106 V111 L112 I113 | F49-I109 HydrophobicContact CD2-CD1 4.08Å; F49-I109 HydrophobicContact CD2-CG1 4.37Å; F49-I109 HydrophobicContact CE2-CD1 4.27Å; F49-I109 HydrophobicContact CE2-CG1 4.31Å; V63-I109 HydrophobicContact CG1-CG1 4.17Å; V63-I109 HydrophobicContact CG2-CG1 3.98Å; E100-I109 HydrophobicContact CB-CD1 4.44Å; I105-I109 HydrophobicContact CG2-CD1 3.86Å; I105-I109 HydrophobicContact CG2-CG1 4.23Å; I105-I109 WeakPolarHBondContact O-CG1 3.4Å; I105-I109 PolarHBondContact O-N 2.93Å; A106-I109 PolarHBondContact O-N 3.31Å; I109-V111 VanDerWaalsContact C-N 3.29Å; I109-V111 PolarHBondContact O-N 3.37Å; I109-L112 WeakPolarHBondContact O-CB 3.49Å; I109-L112 PolarHBondContact O-N 3.42Å; I109-L112 VanDerWaalsContact O-N 3.11Å; I109-I113 HydrophobicContact CG2-CD1 3.77Å; I109-I113 HydrophobicContact CG2-CG1 4.33Å; I109-I113 WeakPolarHBondContact O-CG1 3.36Å; I109-I113 PolarHBondContact O-N 2.88Å |
| 110 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.9 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A106 T107 A114 L149 H153 | A106-A110 WeakPolarHBondContact O-CB 3.37Å; A106-A110 PolarHBondContact O-N 2.98Å; T107-A110 PolarHBondContact O-N 3.4Å; A110-A114 VanDerWaalsContact O-CB 3.3Å; A110-A114 WeakPolarHBondContact O-CB 3.44Å; A110-A114 PolarHBondContact O-N 3Å; A110-L149 HydrophobicContact CB-CD2 4.38Å; A110-L149 HydrophobicContact CB-CG 4.02Å; A110-H153 HydrophobicContact CB-CB 4.26Å |
| 111 | V | 98.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 22% | 0.224 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.5 | -39.6 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | K67 T107 Q108 I109 A114 K115 H153 | K67-V111 HydrophobicContact CD-CG1 4Å; T107-V111 VanDerWaalsContact O-CG2 3.27Å; T107-V111 WeakPolarHBondContact O-CG2 3.46Å; T107-V111 PolarHBondContact O-N 2.91Å; Q108-V111 PolarHBondContact O-N 3.11Å; I109-V111 VanDerWaalsContact C-N 3.29Å; I109-V111 PolarHBondContact O-N 3.37Å; V111-A114 PolarHBondContact O-N 3.37Å; V111-K115 HydrophobicContact CG1-CD 4.5Å; V111-K115 PolarHBondContact O-N 3.39Å; V111-H153 VanDerWaalsContact CG2-CE1 3.49Å; V111-H153 WeakPolarHBondContact CG2-CE1 3.24Å; V111-H153 WeakPolarHBondContact CG2-ND1 3.34Å |
| 112 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.2 | -52 | 175.1 | 165.4 | 59.8 | 0 | 0 | 0 | 110.8 | F49 V63 F66 K67 I70 L94 Q108 I109 A114 K115 V116 | F49-L112 HydrophobicContact CE1-CD2 4.3Å; F49-L112 HydrophobicContact CZ-CD2 4.13Å; V63-L112 HydrophobicContact CG1-CD2 4.28Å; F66-L112 HydrophobicContact CB-CD2 4.07Å; F66-L112 HydrophobicContact CD1-CD2 4.42Å; F66-L112 HydrophobicContact CD2-CD1 3.42Å; F66-L112 VanDerWaalsContact CD2-CD1 3.42Å; F66-L112 HydrophobicContact CD2-CD2 3.79Å; F66-L112 HydrophobicContact CD2-CG 4.22Å; F66-L112 HydrophobicContact CE2-CD1 3.91Å; F66-L112 HydrophobicContact CE2-CD2 4.34Å; F66-L112 HydrophobicContact CG-CD1 4.22Å; F66-L112 HydrophobicContact CG-CD2 3.83Å; K67-L112 HydrophobicContact CB-CB 4.49Å; K67-L112 HydrophobicContact CB-CD1 4.39Å; I70-L112 HydrophobicContact CD1-CD1 3.98Å; I70-L112 HydrophobicContact CG1-CD1 3.48Å; I70-L112 VanDerWaalsContact CG1-CD1 3.48Å; L94-L112 HydrophobicContact CD2-CD2 3.72Å; L94-L112 HydrophobicContact CD2-CG 4.1Å; Q108-L112 WeakPolarHBondContact O-CB 3.48Å; Q108-L112 PolarHBondContact O-N 2.86Å; I109-L112 WeakPolarHBondContact O-CB 3.49Å; I109-L112 PolarHBondContact O-N 3.42Å; I109-L112 VanDerWaalsContact O-N 3.11Å; L112-A114 VanDerWaalsContact C-N 3.29Å; L112-A114 PolarHBondContact O-N 3.4Å; L112-K115 WeakPolarHBondContact O-CB 3.42Å; L112-K115 PolarHBondContact O-N 2.99Å; L112-K115 VanDerWaalsContact O-N 3.09Å; L112-V116 HydrophobicContact CD1-CG2 4.42Å; L112-V116 PolarHBondContact O-N 2.93Å; L112-V116 VanDerWaalsContact O-N 3.08Å |
| 113 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.4 | -45 | 176.7 | -67.1 | 170.1 | 0 | 0 | 0 | 110.3 | L94 F98 I109 K115 V116 A117 W125 L128 T150 V154 | L94-I113 HydrophobicContact CB-CG1 4.15Å; L94-I113 HydrophobicContact CD2-CG1 4.19Å; L94-I113 WeakPolarHBondContact O-CD1 3.3Å; F98-I113 HydrophobicContact CE1-CD1 4.15Å; I109-I113 HydrophobicContact CG2-CD1 3.77Å; I109-I113 HydrophobicContact CG2-CG1 4.33Å; I109-I113 WeakPolarHBondContact O-CG1 3.36Å; I109-I113 PolarHBondContact O-N 2.88Å; I113-K115 VanDerWaalsContact C-N 3.31Å; I113-K115 PolarHBondContact O-N 3.5Å; I113-V116 PolarHBondContact O-N 3.27Å; I113-A117 WeakPolarHBondContact O-CB 3.26Å; I113-A117 PolarHBondContact O-N 3.37Å; I113-W125 HydrophobicContact CG2-CH2 4.06Å; I113-W125 HydrophobicContact CG2-CZ3 4.25Å; I113-L128 HydrophobicContact CG2-CD1 3.72Å; I113-L128 HydrophobicContact CG2-CD2 4.34Å; I113-T150 HydrophobicContact CB-CG2 3.98Å; I113-T150 HydrophobicContact CD1-CG2 3.7Å; I113-T150 HydrophobicContact CG1-CG2 4.45Å; I113-T150 HydrophobicContact CG2-CG2 3.72Å; I113-V154 HydrophobicContact CG2-CG2 4.02Å |
| 114 | A | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.8 | -34.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A110 V111 L112 A117 R118 H153 V154 T157 | A110-A114 VanDerWaalsContact O-CB 3.3Å; A110-A114 WeakPolarHBondContact O-CB 3.44Å; A110-A114 PolarHBondContact O-N 3Å; V111-A114 PolarHBondContact O-N 3.37Å; L112-A114 VanDerWaalsContact C-N 3.29Å; L112-A114 PolarHBondContact O-N 3.4Å; A114-A117 PolarHBondContact O-N 3.04Å; A114-R118 PolarHBondContact O-N 3.35Å; A114-H153 VanDerWaalsContact CB-C 3.48Å; A114-H153 HydrophobicContact CB-CB 3.85Å; A114-H153 WeakPolarHBondContact CB-O 3.18Å; A114-V154 HydrophobicContact CB-CG2 4.2Å; A114-T157 WeakPolarHBondContact O-CG2 3.48Å |
| 115 | K | 98.3 | Very high | 97.3 | Very high | 54 Ų | 54 | 33 Ų | 33 | 24% | 0.235 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 173.8 | -86 | 173.3 | 163.9 | -84.6 | 0 | 111.6 | K67 I70 D71 V111 L112 I113 R118 | K67-K115 HydrophobicContact CD-CD 4.36Å; K67-K115 HydrophobicContact CG-CD 3.61Å; I70-K115 HydrophobicContact CG2-CB 4.07Å; D71-K115 IonicContact OD1-NZ 3.47Å; D71-K115 PolarHBondContact OD1-NZ 2.83Å; D71-K115 IonicContact OD2-NZ 2.58Å; D71-K115 PolarHBondContact OD2-NZ 3.06Å; V111-K115 HydrophobicContact CG1-CD 4.5Å; V111-K115 PolarHBondContact O-N 3.39Å; L112-K115 WeakPolarHBondContact O-CB 3.42Å; L112-K115 PolarHBondContact O-N 2.99Å; L112-K115 VanDerWaalsContact O-N 3.09Å; I113-K115 VanDerWaalsContact C-N 3.31Å; I113-K115 PolarHBondContact O-N 3.5Å; K115-R118 VanDerWaalsContact O-CB 3.29Å; K115-R118 WeakPolarHBondContact O-CB 3.3Å; K115-R118 PolarHBondContact O-N 2.94Å |
| 116 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.3 | -46.2 | 175.1 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | I70 W74 R91 L94 L112 I113 R118 L119 D120 W125 | I70-V116 HydrophobicContact CD1-CG2 3.48Å; I70-V116 VanDerWaalsContact CD1-CG2 3.48Å; I70-V116 HydrophobicContact CG1-CG2 3.93Å; I70-V116 HydrophobicContact CG2-CG2 4.28Å; W74-V116 HydrophobicContact CH2-CG1 4Å; W74-V116 HydrophobicContact CH2-CG2 4.24Å; W74-V116 HydrophobicContact CZ2-CB 4.46Å; W74-V116 HydrophobicContact CZ2-CG1 3.39Å; W74-V116 HydrophobicContact CZ2-CG2 4.26Å; W74-V116 HydrophobicContact CZ3-CG2 4.42Å; R91-V116 HydrophobicContact CG-CG1 4.08Å; L94-V116 HydrophobicContact CD1-CG2 4.24Å; L112-V116 HydrophobicContact CD1-CG2 4.42Å; L112-V116 PolarHBondContact O-N 2.93Å; L112-V116 VanDerWaalsContact O-N 3.08Å; I113-V116 PolarHBondContact O-N 3.27Å; V116-R118 PolarHBondContact O-N 3.49Å; V116-R118 VanDerWaalsContact O-N 3.17Å; V116-L119 PolarHBondContact O-N 3.26Å; V116-D120 PolarHBondContact O-N 3.38Å; V116-W125 HydrophobicContact CB-CE3 4.25Å; V116-W125 HydrophobicContact CB-CZ3 3.65Å; V116-W125 HydrophobicContact CG1-CE3 3.56Å; V116-W125 HydrophobicContact CG1-CH2 4.24Å; V116-W125 HydrophobicContact CG1-CZ3 3.34Å |
| 117 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.8 | -34.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I113 A114 L119 D120 C121 L128 V154 | I113-A117 WeakPolarHBondContact O-CB 3.26Å; I113-A117 PolarHBondContact O-N 3.37Å; A114-A117 PolarHBondContact O-N 3.04Å; A117-L119 PolarHBondContact O-N 3.08Å; A117-D120 PolarHBondContact O-N 3.09Å; A117-C121 HydrophobicContact CB-CB 4.11Å; A117-C121 WeakPolarHBondContact O-CA 3.37Å; A117-C121 WeakPolarHBondContact O-CB 3.34Å; A117-C121 PolarHBondContact O-N 3.26Å; A117-L128 HydrophobicContact CB-CD2 3.45Å; A117-L128 VanDerWaalsContact CB-CD2 3.45Å; A117-V154 HydrophobicContact CB-CG1 4.1Å; A117-V154 HydrophobicContact CB-CG2 4.27Å |
| 118 | R | 97.5 | Very high | 97.2 | Very high | 102 Ų | 102 | 37.2 Ų | 37.2 | 39% | 0.385 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -57 | -37.6 | 176 | -168.1 | 179.5 | 175.9 | 78.8 | -2.7 | 112.7 | A114 K115 V116 T157 S160 K161 | A114-R118 PolarHBondContact O-N 3.35Å; K115-R118 VanDerWaalsContact O-CB 3.29Å; K115-R118 WeakPolarHBondContact O-CB 3.3Å; K115-R118 PolarHBondContact O-N 2.94Å; V116-R118 PolarHBondContact O-N 3.49Å; V116-R118 VanDerWaalsContact O-N 3.17Å; R118-T157 HydrophobicContact CB-CG2 3.6Å; R118-T157 HydrophobicContact CG-CG2 3.85Å; R118-T157 PolarHBondContact NH1-O 2.99Å; R118-S160 PolarHBondContact NH1-OG 3.46Å; R118-K161 WeakPolarHBondContact O-CE 3.46Å; R118-K161 PolarHBondContact O-NZ 3.46Å |
| 119 | L | 96.5 | Very high | 97.1 | Very high | 59 Ų | 59 | 36.2 Ų | 36.2 | 31% | 0.309 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -86.6 | -41.5 | -175.3 | -58.7 | 175.1 | 0 | 0 | 0 | 110.7 | I70 W74 V116 A117 | I70-L119 HydrophobicContact CG2-CD1 3.96Å; W74-L119 HydrophobicContact CB-CD1 3.88Å; W74-L119 VanDerWaalsContact CD1-CD1 3.44Å; W74-L119 HydrophobicContact CG-CD1 3.84Å; V116-L119 PolarHBondContact O-N 3.26Å; A117-L119 PolarHBondContact O-N 3.08Å |
| 120 | D | 96.9 | Very high | 97 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -110 | -22.2 | -163.1 | -70.4 | 4.4 | 0 | 0 | 0 | 114.1 | W74 V116 A117 P122 R123 Q124 W125 | W74-D120 WeakPolarHBondContact CZ2-OD2 3.44Å; W74-D120 VanDerWaalsContact NE1-CG 3.3Å; W74-D120 PolarHBondContact NE1-OD1 3.25Å; W74-D120 PolarHBondContact NE1-OD2 3.49Å; V116-D120 PolarHBondContact O-N 3.38Å; A117-D120 PolarHBondContact O-N 3.09Å; D120-P122 CarbonylContact O-C 3.54Å; D120-R123 PolarHBondContact O-N 3.13Å; D120-R123 VanDerWaalsContact O-N 3.14Å; D120-Q124 HydrophobicContact CB-CB 3.9Å; D120-Q124 PolarHBondContact O-N 3.38Å; D120-W125 HydrophobicContact CB-CB 4.01Å; D120-W125 PolarHBondContact O-N 3.41Å; D120-W125 VanDerWaalsContact O-N 3.15Å |
| 121 | C | 94.6 | Very high | 97 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 139.5 | -177.9 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | A117 L158 | A117-C121 HydrophobicContact CB-CB 4.11Å; A117-C121 WeakPolarHBondContact O-CA 3.37Å; A117-C121 WeakPolarHBondContact O-CB 3.34Å; A117-C121 PolarHBondContact O-N 3.26Å; C121-L158 HydrophobicContact CB-CD2 4.19Å |
| 122 | P | 93.1 | Very high | 96.9 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 34% | 0.344 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -90.7 | -6.7 | -6.2 | 34.9 | -33.6 | 0 | 0 | 0 | 114 | D120 W125 P126 L169 | D120-P122 CarbonylContact O-C 3.54Å; P122-W125 CarbonylContact O-C 3.59Å; P122-P126 VanDerWaalsContact O-CA 3.28Å; P122-P126 WeakPolarHBondContact O-CA 3.38Å; P122-P126 WeakPolarHBondContact O-CB 3.41Å; P122-P126 WeakPolarHBondContact O-CD 3.33Å; P122-P126 VanDerWaalsContact O-N 3.16Å; P122-L169 HydrophobicContact CG-CD1 4.35Å; P122-L169 HydrophobicContact CG-CD2 4.16Å |
| 123 | R | 92.1 | Very high | 96.8 | Very high | 156 Ų | 156 | 41 Ų | 41 | 59% | 0.589 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -47.9 | -164.9 | -65.8 | -177 | -178.4 | 162.1 | 5.2 | 114.5 | D120 | D120-R123 PolarHBondContact O-N 3.13Å; D120-R123 VanDerWaalsContact O-N 3.14Å |
| 124 | Q | 95.6 | Very high | 96.7 | Very high | 86 Ų | 86 | 46.3 Ų | 46.3 | 40% | 0.402 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -24.4 | -179.2 | -60.5 | -58.7 | -66.7 | 0 | 0 | 110.6 | R91 D120 P126 | R91-Q124 PolarHBondContact NH1-O 3.2Å; R91-Q124 PolarHBondContact NH2-O 3.42Å; D120-Q124 HydrophobicContact CB-CB 3.9Å; D120-Q124 PolarHBondContact O-N 3.38Å; Q124-P126 VanDerWaalsContact C-CD 3.45Å |
| 125 | W | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -127.9 | 63.3 | -177.6 | -156.8 | 9.1 | 0 | 0 | 0 | 113.8 | R91 L94 I95 I113 V116 D120 P122 E127 L128 | R91-W125 HydrophobicContact CB-CD2 4.1Å; R91-W125 HydrophobicContact CB-CG 4.45Å; R91-W125 HydrophobicContact CB-CH2 4.48Å; R91-W125 HydrophobicContact CB-CZ2 3.8Å; R91-W125 HydrophobicContact CG-CD2 3.77Å; R91-W125 HydrophobicContact CG-CE3 4.04Å; R91-W125 HydrophobicContact CG-CG 4.22Å; R91-W125 HydrophobicContact CG-CH2 4.27Å; R91-W125 HydrophobicContact CG-CZ2 4.01Å; R91-W125 HydrophobicContact CG-CZ3 4.3Å; R91-W125 WeakPolarHBondContact O-CZ2 3.27Å; L94-W125 HydrophobicContact CB-CH2 4.09Å; L94-W125 HydrophobicContact CB-CZ2 4.34Å; L94-W125 HydrophobicContact CD1-CH2 4.1Å; I95-W125 HydrophobicContact CD1-CZ2 4.19Å; I95-W125 HydrophobicContact CG1-CZ2 4.45Å; I95-W125 HydrophobicContact CG2-CH2 4.13Å; I95-W125 HydrophobicContact CG2-CZ2 3.55Å; I113-W125 HydrophobicContact CG2-CH2 4.06Å; I113-W125 HydrophobicContact CG2-CZ3 4.25Å; V116-W125 HydrophobicContact CB-CE3 4.25Å; V116-W125 HydrophobicContact CB-CZ3 3.65Å; V116-W125 HydrophobicContact CG1-CE3 3.56Å; V116-W125 HydrophobicContact CG1-CH2 4.24Å; V116-W125 HydrophobicContact CG1-CZ3 3.34Å; D120-W125 HydrophobicContact CB-CB 4.01Å; D120-W125 PolarHBondContact O-N 3.41Å; D120-W125 VanDerWaalsContact O-N 3.15Å; P122-W125 CarbonylContact O-C 3.59Å; W125-E127 PolarHBondContact NE1-OE1 3.46Å; W125-E127 PolarHBondContact O-N 3.26Å; W125-L128 HydrophobicContact CD2-CB 4.02Å; W125-L128 HydrophobicContact CD2-CD2 4.26Å; W125-L128 HydrophobicContact CE3-CD2 3.9Å; W125-L128 HydrophobicContact CG-CB 4.13Å; W125-L128 HydrophobicContact CH2-CD1 4.25Å; W125-L128 HydrophobicContact CZ2-CD1 4.21Å; W125-L128 HydrophobicContact CZ3-CD1 4.49Å; W125-L128 HydrophobicContact CZ3-CD2 4.07Å | ||
| 126 | P | 96.4 | Very high | 96.4 | Very high | 79 Ų | 79 | 45.1 Ų | 45.1 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -28.4 | -175.4 | 27.1 | -36 | 0 | 0 | 0 | 114.6 | P122 Q124 L128 P130 | P122-P126 VanDerWaalsContact O-CA 3.28Å; P122-P126 WeakPolarHBondContact O-CA 3.38Å; P122-P126 WeakPolarHBondContact O-CB 3.41Å; P122-P126 WeakPolarHBondContact O-CD 3.33Å; P122-P126 VanDerWaalsContact O-N 3.16Å; Q124-P126 VanDerWaalsContact C-CD 3.45Å; P126-L128 VanDerWaalsContact C-N 3.33Å; P126-L128 PolarHBondContact O-N 3.49Å; P126-P130 VanDerWaalsContact O-CD 3.27Å; P126-P130 WeakPolarHBondContact O-CD 3.35Å |
| 127 | E | 96.8 | Very high | 96.1 | Very high | 67 Ų | 67 | 50.6 Ų | 50.6 | 31% | 0.313 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -16.8 | -174.3 | 68.4 | -84.3 | -166.1 | 0 | 0 | 114.1 | R91 I95 W125 I129 P130 I131 | R91-E127 IonicContact NH1-OE1 2.78Å; I95-E127 HydrophobicContact CD1-CG 3.71Å; W125-E127 PolarHBondContact NE1-OE1 3.46Å; W125-E127 PolarHBondContact O-N 3.26Å; E127-I129 PolarHBondContact O-N 2.78Å; E127-P130 WeakPolarHBondContact O-CD 3.25Å; E127-I131 HydrophobicContact CB-CD1 4Å; E127-I131 HydrophobicContact CG-CD1 4.01Å; E127-I131 WeakPolarHBondContact O-CB 3.43Å; E127-I131 WeakPolarHBondContact O-CG1 3.3Å; E127-I131 PolarHBondContact O-N 2.99Å |
| 128 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.6 | -53.1 | -175.1 | 173.2 | 63.4 | 0 | 0 | 0 | 112.9 | I95 I113 A117 W125 P126 L132 V154 | I95-L128 HydrophobicContact CG2-CD1 3.56Å; I113-L128 HydrophobicContact CG2-CD1 3.72Å; I113-L128 HydrophobicContact CG2-CD2 4.34Å; A117-L128 HydrophobicContact CB-CD2 3.45Å; A117-L128 VanDerWaalsContact CB-CD2 3.45Å; W125-L128 HydrophobicContact CD2-CB 4.02Å; W125-L128 HydrophobicContact CD2-CD2 4.26Å; W125-L128 HydrophobicContact CE3-CD2 3.9Å; W125-L128 HydrophobicContact CG-CB 4.13Å; W125-L128 HydrophobicContact CH2-CD1 4.25Å; W125-L128 HydrophobicContact CZ2-CD1 4.21Å; W125-L128 HydrophobicContact CZ3-CD1 4.49Å; W125-L128 HydrophobicContact CZ3-CD2 4.07Å; P126-L128 VanDerWaalsContact C-N 3.33Å; P126-L128 PolarHBondContact O-N 3.49Å; L128-L132 HydrophobicContact CD1-CD1 3.77Å; L128-L132 HydrophobicContact CD1-CG 4.19Å; L128-L132 HydrophobicContact CG-CD1 4.02Å; L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 3.22Å; L128-L132 VanDerWaalsContact O-N 3.09Å; L128-V154 HydrophobicContact CD2-CG1 4.15Å; L128-V154 HydrophobicContact CD2-CG2 4.15Å |
| 129 | I | 97.1 | Very high | 95.1 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.1 | -50.1 | -176.9 | -61.1 | -61.9 | 0 | 0 | 0 | 111 | E127 I131 L132 L133 F151 V154 L173 | E127-I129 PolarHBondContact O-N 2.78Å; I129-I131 VanDerWaalsContact C-N 3.33Å; I129-I131 PolarHBondContact O-N 3.3Å; I129-L132 PolarHBondContact O-N 2.8Å; I129-L133 HydrophobicContact CG2-CD1 3.94Å; I129-L133 HydrophobicContact CG2-CG 4.17Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 3.24Å; I129-F151 HydrophobicContact CD1-CD2 4.48Å; I129-F151 HydrophobicContact CD1-CE2 4.29Å; I129-F151 HydrophobicContact CG2-CE2 4.46Å; I129-V154 HydrophobicContact CD1-CG1 3.69Å; I129-L173 HydrophobicContact CD1-CD2 4.46Å; I129-L173 HydrophobicContact CG1-CD1 4.28Å; I129-L173 HydrophobicContact CG2-CD1 3.77Å |
| 130 | P | 96.9 | Very high | 95 | Very high | 71 Ų | 71 | 57.9 Ų | 57.9 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -51.9 | -47.8 | 175.1 | -28.7 | 35.1 | 0 | 0 | 0 | 113.5 | P126 E127 L132 L133 E134 | P126-P130 VanDerWaalsContact O-CD 3.27Å; P126-P130 WeakPolarHBondContact O-CD 3.35Å; E127-P130 WeakPolarHBondContact O-CD 3.25Å; P130-L132 VanDerWaalsContact C-N 3.34Å; P130-L132 PolarHBondContact O-N 2.82Å; P130-L133 PolarHBondContact O-N 3.03Å; P130-E134 WeakPolarHBondContact O-CG 3.29Å; P130-E134 PolarHBondContact O-N 2.65Å |
| 131 | I | 97.5 | Very high | 94.8 | Very high | 59 Ų | 59 | 58.4 Ų | 58.4 | 30% | 0.303 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | -179.3 | -74.3 | 166.4 | 0 | 0 | 0 | 111.7 | I95 F98 E127 I129 S135 | I95-I131 HydrophobicContact CB-CG2 4.28Å; I95-I131 HydrophobicContact CD1-CD1 3.48Å; I95-I131 VanDerWaalsContact CD1-CD1 3.48Å; I95-I131 HydrophobicContact CG1-CD1 4.19Å; F98-I131 HydrophobicContact CE2-CG2 3.99Å; E127-I131 HydrophobicContact CB-CD1 4Å; E127-I131 HydrophobicContact CG-CD1 4.01Å; E127-I131 WeakPolarHBondContact O-CB 3.43Å; E127-I131 WeakPolarHBondContact O-CG1 3.3Å; E127-I131 PolarHBondContact O-N 2.99Å; I129-I131 VanDerWaalsContact C-N 3.33Å; I129-I131 PolarHBondContact O-N 3.3Å; I131-S135 WeakPolarHBondContact O-CB 3.08Å; I131-S135 PolarHBondContact O-N 2.78Å; I131-S135 PolarHBondContact O-OG 3.34Å |
| 132 | L | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -43.7 | 175.3 | -73 | 170.3 | 0 | 0 | 0 | 111.9 | F98 L128 I129 P130 S135 V136 T150 F151 V154 | F98-L132 HydrophobicContact CE1-CD2 3.82Å; F98-L132 HydrophobicContact CE2-CD2 4.07Å; F98-L132 HydrophobicContact CZ-CD2 3.44Å; F98-L132 VanDerWaalsContact CZ-CD2 3.44Å; F98-L132 HydrophobicContact CZ-CG 4.34Å; L128-L132 HydrophobicContact CD1-CD1 3.77Å; L128-L132 HydrophobicContact CD1-CG 4.19Å; L128-L132 HydrophobicContact CG-CD1 4.02Å; L128-L132 VanDerWaalsContact O-CG 3.29Å; L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 3.22Å; L128-L132 VanDerWaalsContact O-N 3.09Å; I129-L132 PolarHBondContact O-N 2.8Å; P130-L132 VanDerWaalsContact C-N 3.34Å; P130-L132 PolarHBondContact O-N 2.82Å; L132-S135 PolarHBondContact O-N 3.33Å; L132-V136 VanDerWaalsContact O-CG2 3.25Å; L132-V136 WeakPolarHBondContact O-CG2 3.11Å; L132-V136 PolarHBondContact O-N 3.07Å; L132-T150 HydrophobicContact CD1-CG2 4.27Å; L132-T150 HydrophobicContact CD2-CG2 3.69Å; L132-F151 HydrophobicContact CB-CB 4.46Å; L132-F151 HydrophobicContact CB-CD2 4.38Å; L132-F151 HydrophobicContact CD1-CB 4.4Å; L132-F151 HydrophobicContact CD1-CD2 4.3Å; L132-V154 HydrophobicContact CD1-CG2 4.19Å |
| 133 | L | 96.1 | Very high | 95 | Very high | 26 Ų | 26 | 61 Ų | 61 | 14% | 0.136 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 179.2 | -65.7 | 177.5 | 0 | 0 | 0 | 111.7 | I129 P130 V136 K137 F151 I177 F180 | I129-L133 HydrophobicContact CG2-CD1 3.94Å; I129-L133 HydrophobicContact CG2-CG 4.17Å; I129-L133 WeakPolarHBondContact O-CG 3.34Å; I129-L133 PolarHBondContact O-N 3.24Å; P130-L133 PolarHBondContact O-N 3.03Å; L133-V136 PolarHBondContact O-N 3Å; L133-K137 WeakPolarHBondContact O-CG 3.45Å; L133-K137 PolarHBondContact O-N 3.13Å; L133-F151 HydrophobicContact CD2-CE1 4.04Å; L133-F151 HydrophobicContact CD2-CE2 4Å; L133-F151 HydrophobicContact CD2-CZ 3.61Å; L133-I177 HydrophobicContact CD1-CG2 3.84Å; L133-F180 HydrophobicContact CD2-CD1 3.71Å; L133-F180 HydrophobicContact CD2-CE1 3.51Å; L133-F180 HydrophobicContact CD2-CZ 4.47Å |
| 134 | E | 95.8 | Very high | 95.1 | Very high | 112 Ų | 112 | 54.9 Ų | 54.9 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 175.5 | -69.1 | -52.3 | 114.4 | 0 | 0 | 111.7 | P130 V136 K137 G138 | P130-E134 WeakPolarHBondContact O-CG 3.29Å; P130-E134 PolarHBondContact O-N 2.65Å; E134-V136 VanDerWaalsContact C-N 3.26Å; E134-V136 PolarHBondContact O-N 3.33Å; E134-K137 WeakPolarHBondContact O-CB 3.4Å; E134-K137 PolarHBondContact O-N 2.9Å; E134-K137 IonicContact OE1-NZ 2.7Å; E134-K137 PolarHBondContact OE1-NZ 2.8Å; E134-G138 PolarHBondContact O-N 2.9Å |
| 135 | S | 95.7 | Very high | 95.2 | Very high | 30 Ų | 30 | 51.7 Ų | 51.7 | 21% | 0.21 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.2 | -32.9 | 178.5 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | I131 L132 K137 G138 A147 | I131-S135 WeakPolarHBondContact O-CB 3.08Å; I131-S135 PolarHBondContact O-N 2.78Å; I131-S135 PolarHBondContact O-OG 3.34Å; L132-S135 PolarHBondContact O-N 3.33Å; S135-K137 VanDerWaalsContact C-N 3.3Å; S135-K137 PolarHBondContact O-N 3.46Å; S135-G138 PolarHBondContact O-N 3.5Å; S135-A147 VanDerWaalsContact CB-CB 3.41Å |
| 136 | V | 95.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.4 | -25.5 | 175.5 | 169.9 | 0 | 0 | 0 | 0 | 112.4 | L132 L133 E134 G138 Q144 A147 L148 F180 L184 | L132-V136 VanDerWaalsContact O-CG2 3.25Å; L132-V136 WeakPolarHBondContact O-CG2 3.11Å; L132-V136 PolarHBondContact O-N 3.07Å; L133-V136 PolarHBondContact O-N 3Å; E134-V136 VanDerWaalsContact C-N 3.26Å; E134-V136 PolarHBondContact O-N 3.33Å; V136-G138 VanDerWaalsContact C-N 3.29Å; V136-Q144 WeakPolarHBondContact O-CG 3.14Å; V136-Q144 PolarHBondContact O-NE2 2.92Å; V136-A147 HydrophobicContact CG2-CB 3.73Å; V136-L148 HydrophobicContact CG2-CB 4.01Å; V136-L148 HydrophobicContact CG2-CD1 4.48Å; V136-F180 HydrophobicContact CG1-CE1 4.47Å; V136-F180 HydrophobicContact CG1-CZ 4.12Å; V136-L184 HydrophobicContact CG1-CD1 3.56Å; V136-L184 HydrophobicContact CG1-CD2 3.4Å; V136-L184 VanDerWaalsContact CG1-CD2 3.4Å; V136-L184 HydrophobicContact CG1-CG 4.12Å |
| 137 | K | 92.3 | Very high | 95.3 | Very high | 116 Ų | 116 | 48.5 Ų | 48.5 | 50% | 0.504 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -78.2 | -14.1 | 175 | -65.3 | 169.9 | -173.4 | 170.8 | 0 | 113.3 | L133 E134 S135 F180 | L133-K137 WeakPolarHBondContact O-CG 3.45Å; L133-K137 PolarHBondContact O-N 3.13Å; E134-K137 WeakPolarHBondContact O-CB 3.4Å; E134-K137 PolarHBondContact O-N 2.9Å; E134-K137 IonicContact OE1-NZ 2.7Å; E134-K137 PolarHBondContact OE1-NZ 2.8Å; S135-K137 VanDerWaalsContact C-N 3.3Å; S135-K137 PolarHBondContact O-N 3.46Å; K137-F180 HydrophobicContact CD-CE2 4.27Å; K137-F180 HydrophobicContact CG-CE2 3.79Å; K137-F180 HydrophobicContact CG-CZ 4.05Å |
| 138 | G | 89 | Confident | 95.4 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 32% | 0.32 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -60.7 | 158.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E134 S135 V136 Q144 | E134-G138 PolarHBondContact O-N 2.9Å; S135-G138 PolarHBondContact O-N 3.5Å; V136-G138 VanDerWaalsContact C-N 3.29Å; G138-Q144 PolarHBondContact O-NE2 3.29Å |
| 139 | Q | 87 | Confident | 95.4 | Very high | 198 Ų | 198 | 46.1 Ų | 46.1 | 93% | 0.925 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -89.3 | -17.6 | 179.1 | -64 | -170.1 | -4.9 | 0 | 0 | 113.5 | G141 | Q139-G141 PolarHBondContact O-N 2.93Š|
| 140 | D | 93.6 | Very high | 95.5 | Very high | 85 Ų | 85 | 45.5 Ų | 45.5 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | trans | -68.9 | 115 | 174.7 | -179.5 | -53.8 | 0 | 0 | 0 | 109.5 | L142 L143 Q144 | D140-L142 VanDerWaalsContact C-N 3.31Å; D140-L142 PolarHBondContact O-N 3.3Å; D140-L142 WeakPolarHBondContact OD1-CA 3.38Å; D140-L142 WeakPolarHBondContact OD1-CB 3.45Å; D140-L142 PolarHBondContact OD1-N 2.83Å; D140-L143 HydrophobicContact CB-CB 3.97Å; D140-L143 HydrophobicContact CB-CD1 3.78Å; D140-L143 HydrophobicContact CB-CG 4.28Å; D140-L143 PolarHBondContact O-N 2.77Å; D140-L143 PolarHBondContact OD1-N 2.89Å; D140-Q144 VanDerWaalsContact O-CB 3.27Å; D140-Q144 WeakPolarHBondContact O-CB 3.34Å; D140-Q144 PolarHBondContact O-N 3.42Å | ||
| 141 | G | 92.8 | Very high | 95.6 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 32% | 0.32 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.3 | -37.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q139 H145 R210 | Q139-G141 PolarHBondContact O-N 2.93Å; G141-H145 WeakPolarHBondContact O-CB 3.16Å; G141-H145 PolarHBondContact O-N 3.3Å; G141-H145 VanDerWaalsContact O-N 3.09Å; G141-R210 VanDerWaalsContact C-NH2 3.32Å; G141-R210 PolarHBondContact O-NH2 2.65Å |
| 142 | L | 95.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 40.6 Ų | 40.6 | 34% | 0.34 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.3 | -54.1 | 179.5 | -179.9 | 62.7 | 0 | 0 | 0 | 109.7 | N99 D140 Q144 H145 R146 | N99-L142 WeakPolarHBondContact O-CD2 3.41Å; D140-L142 VanDerWaalsContact C-N 3.31Å; D140-L142 PolarHBondContact O-N 3.3Å; D140-L142 WeakPolarHBondContact OD1-CA 3.38Å; D140-L142 WeakPolarHBondContact OD1-CB 3.45Å; D140-L142 PolarHBondContact OD1-N 2.83Å; L142-Q144 VanDerWaalsContact C-N 3.34Å; L142-Q144 PolarHBondContact O-N 3.15Å; L142-H145 PolarHBondContact O-N 3.38Å; L142-H145 VanDerWaalsContact O-N 3.12Å; L142-R146 HydrophobicContact CD1-CG 4.16Å; L142-R146 HydrophobicContact CG-CG 4.39Å; L142-R146 VanDerWaalsContact O-CG 3.3Å; L142-R146 WeakPolarHBondContact O-CG 3.49Å; L142-R146 PolarHBondContact O-N 2.71Å |
| 143 | L | 95.8 | Very high | 95.7 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 27% | 0.272 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -54 | -49.7 | 178.3 | -82.7 | 164 | 0 | 0 | 0 | 111.7 | F98 N99 D140 H145 R146 A147 | F98-L143 VanDerWaalsContact C-CD2 3.47Å; F98-L143 HydrophobicContact CB-CD2 3.8Å; F98-L143 WeakPolarHBondContact O-CA 3.3Å; F98-L143 WeakPolarHBondContact O-CD2 3.43Å; N99-L143 HydrophobicContact CB-CD2 4.44Å; D140-L143 HydrophobicContact CB-CB 3.97Å; D140-L143 HydrophobicContact CB-CD1 3.78Å; D140-L143 HydrophobicContact CB-CG 4.28Å; D140-L143 PolarHBondContact O-N 2.77Å; D140-L143 PolarHBondContact OD1-N 2.89Å; L143-H145 VanDerWaalsContact C-N 3.32Å; L143-H145 PolarHBondContact O-N 2.87Å; L143-R146 PolarHBondContact O-N 2.94Å; L143-A147 WeakPolarHBondContact O-CB 3.4Å; L143-A147 PolarHBondContact O-N 2.9Å |
| 144 | Q | 95.8 | Very high | 95.8 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 13% | 0.131 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.6 | -45.8 | 178.2 | 176.3 | 179.9 | 80.9 | 0 | 0 | 111.5 | V136 G138 D140 L142 L148 H188 | V136-Q144 WeakPolarHBondContact O-CG 3.14Å; V136-Q144 PolarHBondContact O-NE2 2.92Å; G138-Q144 PolarHBondContact O-NE2 3.29Å; D140-Q144 VanDerWaalsContact O-CB 3.27Å; D140-Q144 WeakPolarHBondContact O-CB 3.34Å; D140-Q144 PolarHBondContact O-N 3.42Å; L142-Q144 VanDerWaalsContact C-N 3.34Å; L142-Q144 PolarHBondContact O-N 3.15Å; Q144-L148 WeakPolarHBondContact O-CB 3.43Å; Q144-L148 PolarHBondContact O-N 3.38Å; Q144-H188 PolarHBondContact OE1-CE1 3.12Å |
| 145 | H | 97.3 | Very high | 95.9 | Very high | 20 Ų | 20 | 35.1 Ų | 35.1 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.1 | -42.4 | -179.9 | 178.5 | -96.8 | 0 | 0 | 0 | 112 | G141 L142 L143 L148 L149 E209 | G141-H145 WeakPolarHBondContact O-CB 3.16Å; G141-H145 PolarHBondContact O-N 3.3Å; G141-H145 VanDerWaalsContact O-N 3.09Å; L142-H145 PolarHBondContact O-N 3.38Å; L142-H145 VanDerWaalsContact O-N 3.12Å; L143-H145 VanDerWaalsContact C-N 3.32Å; L143-H145 PolarHBondContact O-N 2.87Å; H145-L148 PolarHBondContact O-N 3.35Å; H145-L149 WeakPolarHBondContact O-CB 3.19Å; H145-L149 PolarHBondContact O-N 3.09Å; H145-E209 IonicContact NE2-OE2 3.03Å |
| 146 | R | 98.2 | Very high | 96.1 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 5% | 0.045 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.3 | -40.2 | 177.8 | -63.6 | -47.8 | 174.4 | -136.2 | -4.2 | 112.6 | F98 E100 P101 N103 L142 L143 L149 T150 | F98-R146 HydrophobicContact CB-CB 3.81Å; F98-R146 WeakPolarHBondContact O-CB 3.33Å; F98-R146 WeakPolarHBondContact O-CG 3.43Å; E100-R146 PolarHBondContact O-NE 3.42Å; E100-R146 PolarHBondContact O-NH2 3.13Å; E100-R146 VanDerWaalsContact O-NH2 3.15Å; P101-R146 PolarHBondContact O-NH2 3.4Å; P101-R146 VanDerWaalsContact O-NH2 3.13Å; N103-R146 PolarHBondContact OD1-NH1 3.47Å; N103-R146 PolarHBondContact OD1-NH2 2.91Å; L142-R146 HydrophobicContact CD1-CG 4.16Å; L142-R146 HydrophobicContact CG-CG 4.39Å; L142-R146 VanDerWaalsContact O-CG 3.3Å; L142-R146 WeakPolarHBondContact O-CG 3.49Å; L142-R146 PolarHBondContact O-N 2.71Å; L143-R146 PolarHBondContact O-N 2.94Å; R146-L149 PolarHBondContact O-N 3.29Å; R146-T150 WeakPolarHBondContact O-CB 3.37Å; R146-T150 PolarHBondContact O-N 3.47Å; R146-T150 PolarHBondContact O-OG1 3.47Å |
| 147 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -45.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.1 | F98 S135 V136 L143 L149 T150 F151 | F98-A147 HydrophobicContact CD2-CB 4.3Å; F98-A147 HydrophobicContact CG-CB 4.4Å; S135-A147 VanDerWaalsContact CB-CB 3.41Å; V136-A147 HydrophobicContact CG2-CB 3.73Å; L143-A147 WeakPolarHBondContact O-CB 3.4Å; L143-A147 PolarHBondContact O-N 2.9Å; A147-L149 PolarHBondContact O-N 2.85Å; A147-T150 PolarHBondContact O-N 3.41Å; A147-F151 VanDerWaalsContact O-CB 3.3Å; A147-F151 WeakPolarHBondContact O-CB 3.39Å; A147-F151 PolarHBondContact O-N 3.01Å |
| 148 | L | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -38.1 | 178.9 | -175 | 56.1 | 0 | 0 | 0 | 112.5 | V136 Q144 H145 F151 Y152 L184 R210 L213 | V136-L148 HydrophobicContact CG2-CB 4.01Å; V136-L148 HydrophobicContact CG2-CD1 4.48Å; Q144-L148 WeakPolarHBondContact O-CB 3.43Å; Q144-L148 PolarHBondContact O-N 3.38Å; H145-L148 PolarHBondContact O-N 3.35Å; L148-F151 HydrophobicContact CD1-CD1 4.29Å; L148-F151 PolarHBondContact O-N 3.17Å; L148-Y152 WeakPolarHBondContact O-CB 3.23Å; L148-Y152 PolarHBondContact O-N 3.41Å; L148-L184 HydrophobicContact CD1-CD2 3.79Å; L148-L184 HydrophobicContact CD2-CD2 4.38Å; L148-R210 HydrophobicContact CD2-CB 4.08Å; L148-R210 HydrophobicContact CD2-CG 4.4Å; L148-L213 HydrophobicContact CD2-CB 3.87Å; L148-L213 HydrophobicContact CD2-CD1 4.46Å; L148-L213 HydrophobicContact CG-CB 3.74Å; L148-L213 HydrophobicContact CG-CD1 4.24Å |
| 149 | L | 98.6 | Very high | 96.9 | Very high | 15 Ų | 15 | 33.6 Ų | 33.6 | 8% | 0.079 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 172.6 | 176.2 | 63.9 | 0 | 0 | 0 | 110.8 | A106 A110 H145 R146 A147 Y152 H153 L213 | A106-L149 HydrophobicContact CB-CD2 4.26Å; A110-L149 HydrophobicContact CB-CD2 4.38Å; A110-L149 HydrophobicContact CB-CG 4.02Å; H145-L149 WeakPolarHBondContact O-CB 3.19Å; H145-L149 PolarHBondContact O-N 3.09Å; R146-L149 PolarHBondContact O-N 3.29Å; A147-L149 PolarHBondContact O-N 2.85Å; L149-Y152 WeakPolarHBondContact O-CB 3.34Å; L149-Y152 PolarHBondContact O-N 3.33Å; L149-H153 PolarHBondContact O-CD2 3.41Å; L149-H153 VanDerWaalsContact O-CD2 3.28Å; L149-H153 PolarHBondContact O-N 3.14Å; L149-H153 VanDerWaalsContact O-N 3.11Å; L149-L213 HydrophobicContact CB-CD1 4.13Å; L149-L213 HydrophobicContact CD1-CD2 3.93Å |
| 150 | T | 98.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.025 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.2 | -45.8 | 178.2 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | F98 I113 L132 R146 A147 Y152 H153 V154 | F98-T150 HydrophobicContact CE1-CG2 4.22Å; I113-T150 HydrophobicContact CB-CG2 3.98Å; I113-T150 HydrophobicContact CD1-CG2 3.7Å; I113-T150 HydrophobicContact CG1-CG2 4.45Å; I113-T150 HydrophobicContact CG2-CG2 3.72Å; L132-T150 HydrophobicContact CD1-CG2 4.27Å; L132-T150 HydrophobicContact CD2-CG2 3.69Å; R146-T150 WeakPolarHBondContact O-CB 3.37Å; R146-T150 PolarHBondContact O-N 3.47Å; R146-T150 PolarHBondContact O-OG1 3.47Å; A147-T150 PolarHBondContact O-N 3.41Å; T150-Y152 VanDerWaalsContact C-N 3.34Å; T150-Y152 PolarHBondContact O-N 2.9Å; T150-H153 PolarHBondContact O-N 3.37Å; T150-H153 VanDerWaalsContact O-N 3.09Å; T150-V154 HydrophobicContact CG2-CG2 4.32Å; T150-V154 WeakPolarHBondContact O-CG2 3.47Å; T150-V154 PolarHBondContact O-N 3.22Å |
| 151 | F | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57 | -46.3 | 176 | -174.8 | -130.6 | 0 | 0 | 0 | 111.7 | I129 L132 L133 A147 L148 H153 V154 T155 I177 V217 | I129-F151 HydrophobicContact CD1-CD2 4.48Å; I129-F151 HydrophobicContact CD1-CE2 4.29Å; I129-F151 HydrophobicContact CG2-CE2 4.46Å; L132-F151 HydrophobicContact CB-CB 4.46Å; L132-F151 HydrophobicContact CB-CD2 4.38Å; L132-F151 HydrophobicContact CD1-CB 4.4Å; L132-F151 HydrophobicContact CD1-CD2 4.3Å; L133-F151 HydrophobicContact CD2-CE1 4.04Å; L133-F151 HydrophobicContact CD2-CE2 4Å; L133-F151 HydrophobicContact CD2-CZ 3.61Å; A147-F151 VanDerWaalsContact O-CB 3.3Å; A147-F151 WeakPolarHBondContact O-CB 3.39Å; A147-F151 PolarHBondContact O-N 3.01Å; L148-F151 HydrophobicContact CD1-CD1 4.29Å; L148-F151 PolarHBondContact O-N 3.17Å; F151-H153 PolarHBondContact O-N 2.72Å; F151-V154 PolarHBondContact O-N 2.87Å; F151-T155 WeakPolarHBondContact O-CB 3.36Å; F151-T155 PolarHBondContact O-N 2.87Å; F151-T155 PolarHBondContact O-OG1 3.27Å; F151-I177 HydrophobicContact CE2-CD1 4.2Å; F151-I177 HydrophobicContact CZ-CD1 3.61Å; F151-V217 HydrophobicContact CD1-CG1 4.15Å; F151-V217 HydrophobicContact CD1-CG2 3.92Å; F151-V217 HydrophobicContact CE1-CG1 3.66Å; F151-V217 HydrophobicContact CE1-CG2 4.29Å; F151-V217 HydrophobicContact CZ-CG1 4.33Å |
| 152 | Y | 98.7 | Very high | 97.4 | Very high | 25 Ų | 25 | 32.8 Ų | 32.8 | 10% | 0.098 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.8 | -47.9 | 173.2 | 161.7 | -110 | 0 | 0 | 0 | 112.8 | L148 L149 T150 K156 L213 K216 V217 | L148-Y152 WeakPolarHBondContact O-CB 3.23Å; L148-Y152 PolarHBondContact O-N 3.41Å; L149-Y152 WeakPolarHBondContact O-CB 3.34Å; L149-Y152 PolarHBondContact O-N 3.33Å; T150-Y152 VanDerWaalsContact C-N 3.34Å; T150-Y152 PolarHBondContact O-N 2.9Å; Y152-K156 HydrophobicContact CE2-CB 4.21Å; Y152-K156 WeakPolarHBondContact O-CB 3.32Å; Y152-K156 PolarHBondContact O-N 3.38Å; Y152-L213 HydrophobicContact CD1-CD2 4.05Å; Y152-L213 HydrophobicContact CG-CD2 4.21Å; Y152-K216 HydrophobicContact CD2-CB 3.54Å; Y152-K216 HydrophobicContact CE2-CB 3.52Å; Y152-K216 HydrophobicContact CE2-CD 4.26Å; Y152-K216 HydrophobicContact CE2-CG 4.31Å; Y152-K216 HydrophobicContact CG-CB 4.43Å; Y152-K216 VanDerWaalsContact CZ-NZ 3.3Å; Y152-K216 WeakPolarHBondContact OH-CE 3.39Å; Y152-K216 PolarHBondContact OH-NZ 3.47Å; Y152-V217 HydrophobicContact CD2-CG2 4.5Å |
| 153 | H | 98.8 | Very high | 97.4 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 11% | 0.111 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | -179.7 | -83.3 | -84.6 | 0 | 0 | 0 | 112.4 | A110 V111 A114 L149 T150 F151 T157 | A110-H153 HydrophobicContact CB-CB 4.26Å; V111-H153 VanDerWaalsContact CG2-CE1 3.49Å; V111-H153 WeakPolarHBondContact CG2-CE1 3.24Å; V111-H153 WeakPolarHBondContact CG2-ND1 3.34Å; A114-H153 VanDerWaalsContact CB-C 3.48Å; A114-H153 HydrophobicContact CB-CB 3.85Å; A114-H153 WeakPolarHBondContact CB-O 3.18Å; L149-H153 PolarHBondContact O-CD2 3.41Å; L149-H153 VanDerWaalsContact O-CD2 3.28Å; L149-H153 PolarHBondContact O-N 3.14Å; L149-H153 VanDerWaalsContact O-N 3.11Å; T150-H153 PolarHBondContact O-N 3.37Å; T150-H153 VanDerWaalsContact O-N 3.09Å; F151-H153 PolarHBondContact O-N 2.72Å; H153-T157 WeakPolarHBondContact O-CB 3.36Å; H153-T157 PolarHBondContact O-N 2.91Å; H153-T157 PolarHBondContact O-OG1 3.19Å |
| 154 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.7 | -54.3 | 174.7 | 172.4 | 0 | 0 | 0 | 0 | 110.3 | I113 A114 A117 L128 I129 L132 T150 F151 K156 T157 L158 | I113-V154 HydrophobicContact CG2-CG2 4.02Å; A114-V154 HydrophobicContact CB-CG2 4.2Å; A117-V154 HydrophobicContact CB-CG1 4.1Å; A117-V154 HydrophobicContact CB-CG2 4.27Å; L128-V154 HydrophobicContact CD2-CG1 4.15Å; L128-V154 HydrophobicContact CD2-CG2 4.15Å; I129-V154 HydrophobicContact CD1-CG1 3.69Å; L132-V154 HydrophobicContact CD1-CG2 4.19Å; T150-V154 HydrophobicContact CG2-CG2 4.32Å; T150-V154 WeakPolarHBondContact O-CG2 3.47Å; T150-V154 PolarHBondContact O-N 3.22Å; F151-V154 PolarHBondContact O-N 2.87Å; V154-K156 VanDerWaalsContact C-N 3.33Å; V154-K156 PolarHBondContact O-N 3.46Å; V154-T157 PolarHBondContact O-N 3.26Å; V154-L158 HydrophobicContact CG1-CD1 3.85Å; V154-L158 HydrophobicContact CG1-CG 4.26Å; V154-L158 WeakPolarHBondContact O-CG 3.4Å; V154-L158 PolarHBondContact O-N 3.02Å |
| 155 | T | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.2 | -46.3 | 177.9 | -53.6 | 0 | 0 | 0 | 0 | 111.3 | F151 T157 L158 A159 F170 V217 K220 L221 | F151-T155 WeakPolarHBondContact O-CB 3.36Å; F151-T155 PolarHBondContact O-N 2.87Å; F151-T155 PolarHBondContact O-OG1 3.27Å; T155-T157 PolarHBondContact O-N 3.06Å; T155-L158 PolarHBondContact O-N 3.4Å; T155-A159 WeakPolarHBondContact O-CB 3.44Å; T155-A159 PolarHBondContact O-N 3.26Å; T155-F170 HydrophobicContact CG2-CE2 3.96Å; T155-F170 HydrophobicContact CG2-CZ 3.95Å; T155-V217 HydrophobicContact CG2-CG1 4.33Å; T155-K220 HydrophobicContact CG2-CB 3.9Å; T155-L221 HydrophobicContact CG2-CD2 3.69Å; T155-L221 HydrophobicContact CG2-CG 4.3Å |
| 156 | K | 98.4 | Very high | 97.3 | Very high | 92 Ų | 92 | 40.9 Ų | 40.9 | 40% | 0.4 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.8 | -41.8 | 176.4 | 175.8 | -169.7 | 176.6 | -176.4 | 0 | 111.5 | Y152 V154 S160 | Y152-K156 HydrophobicContact CE2-CB 4.21Å; Y152-K156 WeakPolarHBondContact O-CB 3.32Å; Y152-K156 PolarHBondContact O-N 3.38Å; V154-K156 VanDerWaalsContact C-N 3.33Å; V154-K156 PolarHBondContact O-N 3.46Å; K156-S160 PolarHBondContact O-N 3.39Å |
| 157 | T | 98.4 | Very high | 97.2 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 18% | 0.178 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -75.6 | -44.6 | -174.2 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | A114 R118 H153 V154 T155 S160 | A114-T157 WeakPolarHBondContact O-CG2 3.48Å; R118-T157 HydrophobicContact CB-CG2 3.6Å; R118-T157 HydrophobicContact CG-CG2 3.85Å; R118-T157 PolarHBondContact NH1-O 2.99Å; H153-T157 WeakPolarHBondContact O-CB 3.36Å; H153-T157 PolarHBondContact O-N 2.91Å; H153-T157 PolarHBondContact O-OG1 3.19Å; V154-T157 PolarHBondContact O-N 3.26Å; T155-T157 PolarHBondContact O-N 3.06Å; T157-S160 PolarHBondContact O-N 3.37Å; T157-S160 PolarHBondContact O-OG 3.39Å |
| 158 | L | 97.8 | Very high | 97.1 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 175.7 | -61.7 | -179.6 | 0 | 0 | 0 | 111.6 | C121 V154 T155 S160 K161 F170 L173 | C121-L158 HydrophobicContact CB-CD2 4.19Å; V154-L158 HydrophobicContact CG1-CD1 3.85Å; V154-L158 HydrophobicContact CG1-CG 4.26Å; V154-L158 WeakPolarHBondContact O-CG 3.4Å; V154-L158 PolarHBondContact O-N 3.02Å; T155-L158 PolarHBondContact O-N 3.4Å; L158-S160 PolarHBondContact O-N 2.89Å; L158-K161 HydrophobicContact CD2-CD 4.39Å; L158-K161 WeakPolarHBondContact O-CB 3.39Å; L158-K161 PolarHBondContact O-N 3Å; L158-F170 HydrophobicContact CB-CD2 3.77Å; L158-F170 HydrophobicContact CB-CE2 4.14Å; L158-L173 HydrophobicContact CD1-CD2 4.04Å |
| 159 | A | 97.1 | Very high | 97 | Very high | 9 Ų | 9 | 57 Ų | 57 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T155 F170 K220 H224 | T155-A159 WeakPolarHBondContact O-CB 3.44Å; T155-A159 PolarHBondContact O-N 3.26Å; A159-F170 HydrophobicContact CB-CD2 4.29Å; A159-F170 HydrophobicContact CB-CE1 3.95Å; A159-F170 HydrophobicContact CB-CE2 3.66Å; A159-F170 HydrophobicContact CB-CZ 3.47Å; A159-F170 VanDerWaalsContact CB-CZ 3.47Å; A159-K220 HydrophobicContact CB-CB 4.38Å; A159-K220 HydrophobicContact CB-CD 4.17Å; A159-H224 HydrophobicContact CB-CB 4.1Å |
| 160 | S | 96.9 | Very high | 96.9 | Very high | 56 Ų | 56 | 56.7 Ų | 56.7 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -8.9 | -179.5 | 74.8 | 0 | 0 | 0 | 0 | 113.9 | R118 K156 T157 L158 | R118-S160 PolarHBondContact NH1-OG 3.46Å; K156-S160 PolarHBondContact O-N 3.39Å; T157-S160 PolarHBondContact O-N 3.37Å; T157-S160 PolarHBondContact O-OG 3.39Å; L158-S160 PolarHBondContact O-N 2.89Å |
| 161 | K | 95.6 | Very high | 96.8 | Very high | 37 Ų | 37 | 58.6 Ų | 58.6 | 16% | 0.161 | 28% | 0.277 | C | S | . | . | trans | -71.1 | 131.2 | 178.2 | -61.4 | -178.2 | 88.5 | -171.2 | 0 | 109.4 | R118 L158 D166 | R118-K161 WeakPolarHBondContact O-CE 3.46Å; R118-K161 PolarHBondContact O-NZ 3.46Å; L158-K161 HydrophobicContact CD2-CD 4.39Å; L158-K161 WeakPolarHBondContact O-CB 3.39Å; L158-K161 PolarHBondContact O-N 3Å; K161-D166 HydrophobicContact CB-CB 3.53Å; K161-D166 HydrophobicContact CD-CB 4.04Å; K161-D166 VanDerWaalsContact CE-OD1 3.25Å; K161-D166 WeakPolarHBondContact CE-OD1 3.48Å; K161-D166 WeakPolarHBondContact CE-OD2 3.3Å; K161-D166 HydrophobicContact CG-CB 4.41Å; K161-D166 VanDerWaalsContact NZ-CG 3.28Å; K161-D166 IonicContact NZ-OD1 3.43Å; K161-D166 PolarHBondContact NZ-OD1 2.79Å; K161-D166 IonicContact NZ-OD2 3.21Å | ||
| 162 | R | 92.9 | Very high | 96.7 | Very high | 203 Ų | 203 | 63.6 Ų | 63.6 | 77% | 0.766 | 30% | 0.304 | S | S | * | . | trans | -104.5 | -13.5 | -168.3 | -68.7 | -104.3 | -174.5 | 156.9 | 3.5 | 114 | R167 | R162-R167 VanDerWaalsContact O-CZ 3.27Å; R162-R167 PolarHBondContact O-NE 3.25Å; R162-R167 PolarHBondContact O-NH2 3.41Å | ||
| 163 | L | 95.3 | Very high | 96.6 | Very high | 124 Ų | 124 | 64 Ų | 64 | 65% | 0.649 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -68.3 | 145.1 | 178.7 | -60.2 | 177.3 | 0 | 0 | 0 | 110.6 | Q165 D166 R167 | L163-Q165 VanDerWaalsContact C-N 3.29Å; L163-Q165 PolarHBondContact O-N 2.98Å; L163-D166 HydrophobicContact CB-CB 4.44Å; L163-D166 PolarHBondContact O-N 3.11Å; L163-D166 VanDerWaalsContact O-N 3.13Å; L163-R167 WeakPolarHBondContact O-CG 3.43Å; L163-R167 PolarHBondContact O-N 3.49Å |
| 164 | A | 94.9 | Very high | 96.5 | Very high | 69 Ų | 69 | 62.9 Ų | 62.9 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -57.2 | -42.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R167 R168 | A164-R167 PolarHBondContact O-N 2.92Å; A164-R168 WeakPolarHBondContact O-CG 3.18Å; A164-R168 PolarHBondContact O-N 3.05Å; A164-R168 VanDerWaalsContact O-N 3.09Å |
| 165 | Q | 95.4 | Very high | 96.4 | Very high | 115 Ų | 115 | 66.1 Ų | 66.1 | 54% | 0.537 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 178.1 | -174.6 | 169.7 | 59.1 | 0 | 0 | 112.4 | L163 R167 R168 L169 | L163-Q165 VanDerWaalsContact C-N 3.29Å; L163-Q165 PolarHBondContact O-N 2.98Å; Q165-R167 VanDerWaalsContact C-N 3.33Å; Q165-R167 PolarHBondContact O-N 2.88Å; Q165-R168 PolarHBondContact O-N 3.33Å; Q165-L169 WeakPolarHBondContact O-CG 3.29Å; Q165-L169 PolarHBondContact O-N 3.28Å; Q165-L169 VanDerWaalsContact O-N 3.09Å |
| 166 | D | 95.1 | Very high | 96.3 | Very high | 27 Ų | 27 | 69 Ų | 69 | 14% | 0.144 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66 | -36.7 | 177.3 | -67.9 | -43 | 0 | 0 | 0 | 112.3 | K161 L163 L169 F170 | K161-D166 HydrophobicContact CB-CB 3.53Å; K161-D166 HydrophobicContact CD-CB 4.04Å; K161-D166 VanDerWaalsContact CE-OD1 3.25Å; K161-D166 WeakPolarHBondContact CE-OD1 3.48Å; K161-D166 WeakPolarHBondContact CE-OD2 3.3Å; K161-D166 HydrophobicContact CG-CB 4.41Å; K161-D166 VanDerWaalsContact NZ-CG 3.28Å; K161-D166 IonicContact NZ-OD1 3.43Å; K161-D166 PolarHBondContact NZ-OD1 2.79Å; K161-D166 IonicContact NZ-OD2 3.21Å; L163-D166 HydrophobicContact CB-CB 4.44Å; L163-D166 PolarHBondContact O-N 3.11Å; L163-D166 VanDerWaalsContact O-N 3.13Å; D166-L169 PolarHBondContact O-N 3.47Å; D166-F170 PolarHBondContact O-N 2.88Å |
| 167 | R | 95.8 | Very high | 96.2 | Very high | 125 Ų | 125 | 65 Ų | 65 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 175.3 | -70.6 | -176.7 | -167.7 | 178.3 | 11.6 | 111.3 | R162 L163 A164 Q165 F170 Q171 | R162-R167 VanDerWaalsContact O-CZ 3.27Å; R162-R167 PolarHBondContact O-NE 3.25Å; R162-R167 PolarHBondContact O-NH2 3.41Å; L163-R167 WeakPolarHBondContact O-CG 3.43Å; L163-R167 PolarHBondContact O-N 3.49Å; A164-R167 PolarHBondContact O-N 2.92Å; Q165-R167 VanDerWaalsContact C-N 3.33Å; Q165-R167 PolarHBondContact O-N 2.88Å; R167-F170 PolarHBondContact O-N 3.4Å; R167-Q171 VanDerWaalsContact O-CG 3.26Å; R167-Q171 WeakPolarHBondContact O-CG 3.43Å; R167-Q171 PolarHBondContact O-N 3.12Å |
| 168 | R | 96.2 | Very high | 96.1 | Very high | 172 Ų | 172 | 63.6 Ų | 63.6 | 65% | 0.649 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -58.9 | -48.6 | 176 | -71.6 | 179.3 | -177.3 | 176.6 | -0.1 | 111.3 | A164 Q165 F170 Q171 D172 | A164-R168 WeakPolarHBondContact O-CG 3.18Å; A164-R168 PolarHBondContact O-N 3.05Å; A164-R168 VanDerWaalsContact O-N 3.09Å; Q165-R168 PolarHBondContact O-N 3.33Å; R168-F170 VanDerWaalsContact C-N 3.25Å; R168-F170 PolarHBondContact O-N 3.13Å; R168-Q171 WeakPolarHBondContact O-CA 3.4Å; R168-Q171 WeakPolarHBondContact O-CB 3.45Å; R168-Q171 PolarHBondContact O-N 3.07Å; R168-D172 VanDerWaalsContact O-CG 3.29Å; R168-D172 PolarHBondContact O-N 2.88Å |
| 169 | L | 95.9 | Very high | 96.1 | Very high | 56 Ų | 56 | 65.7 Ų | 65.7 | 29% | 0.293 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.2 | -37.6 | 176.1 | -68.1 | 170.8 | 0 | 0 | 0 | 112.6 | P122 Q165 D166 L173 | P122-L169 HydrophobicContact CG-CD1 4.35Å; P122-L169 HydrophobicContact CG-CD2 4.16Å; Q165-L169 WeakPolarHBondContact O-CG 3.29Å; Q165-L169 PolarHBondContact O-N 3.28Å; Q165-L169 VanDerWaalsContact O-N 3.09Å; D166-L169 PolarHBondContact O-N 3.47Å; L169-L173 WeakPolarHBondContact O-CB 3.16Å; L169-L173 PolarHBondContact O-N 3.02Å |
| 170 | F | 97.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 67.5 Ų | 67.5 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -71.2 | -34.3 | 175.5 | -172.3 | -95 | 0 | 0 | 0 | 112.8 | T155 L158 A159 D166 R167 R168 L173 A174 L221 H224 | T155-F170 HydrophobicContact CG2-CE2 3.96Å; T155-F170 HydrophobicContact CG2-CZ 3.95Å; L158-F170 HydrophobicContact CB-CD2 3.77Å; L158-F170 HydrophobicContact CB-CE2 4.14Å; A159-F170 HydrophobicContact CB-CD2 4.29Å; A159-F170 HydrophobicContact CB-CE1 3.95Å; A159-F170 HydrophobicContact CB-CE2 3.66Å; A159-F170 HydrophobicContact CB-CZ 3.47Å; A159-F170 VanDerWaalsContact CB-CZ 3.47Å; D166-F170 PolarHBondContact O-N 2.88Å; R167-F170 PolarHBondContact O-N 3.4Å; R168-F170 VanDerWaalsContact C-N 3.25Å; R168-F170 PolarHBondContact O-N 3.13Å; F170-L173 HydrophobicContact CD2-CD2 4.41Å; F170-A174 VanDerWaalsContact O-CB 3.26Å; F170-A174 WeakPolarHBondContact O-CB 3.46Å; F170-A174 PolarHBondContact O-N 2.99Å; F170-L221 HydrophobicContact CE1-CD2 4.46Å; F170-L221 HydrophobicContact CE2-CD2 4.45Å; F170-L221 HydrophobicContact CZ-CD2 3.86Å; F170-H224 HydrophobicContact CD1-CB 3.92Å; F170-H224 WeakPolarHBondContact CD1-O 3.5Å; F170-H224 HydrophobicContact CE1-CB 3.56Å; F170-H224 HydrophobicContact CZ-CB 4.45Å |
| 171 | Q | 97 | Very high | 96.1 | Very high | 45 Ų | 45 | 65 Ų | 65 | 21% | 0.21 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66 | -44.6 | 174.5 | -69.9 | 169.4 | -20.3 | 0 | 0 | 111.2 | R167 R168 L173 A174 S175 G225 | R167-Q171 VanDerWaalsContact O-CG 3.26Å; R167-Q171 WeakPolarHBondContact O-CG 3.43Å; R167-Q171 PolarHBondContact O-N 3.12Å; R168-Q171 WeakPolarHBondContact O-CA 3.4Å; R168-Q171 WeakPolarHBondContact O-CB 3.45Å; R168-Q171 PolarHBondContact O-N 3.07Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; Q171-L173 PolarHBondContact O-N 3.16Å; Q171-A174 PolarHBondContact O-N 3.36Å; Q171-S175 PolarHBondContact O-N 2.96Å; Q171-S175 PolarHBondContact O-OG 3.25Å; Q171-G225 WeakPolarHBondContact CG-O 3.48Å |
| 172 | D | 96.3 | Very high | 96.2 | Very high | 105 Ų | 105 | 64.2 Ų | 64.2 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 175.4 | -60.6 | -27.3 | 0 | 0 | 0 | 111.4 | R168 S175 G176 | R168-D172 VanDerWaalsContact O-CG 3.29Å; R168-D172 PolarHBondContact O-N 2.88Å; D172-S175 PolarHBondContact O-OG 3.04Å; D172-G176 PolarHBondContact O-N 2.82Å |
| 173 | L | 96.2 | Very high | 96.4 | Very high | 34 Ų | 34 | 58.3 Ų | 58.3 | 18% | 0.178 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 172.7 | 172.2 | 62.4 | 0 | 0 | 0 | 110.8 | I129 L158 L169 F170 Q171 G176 I177 | I129-L173 HydrophobicContact CD1-CD2 4.46Å; I129-L173 HydrophobicContact CG1-CD1 4.28Å; I129-L173 HydrophobicContact CG2-CD1 3.77Å; L158-L173 HydrophobicContact CD1-CD2 4.04Å; L169-L173 WeakPolarHBondContact O-CB 3.16Å; L169-L173 PolarHBondContact O-N 3.02Å; F170-L173 HydrophobicContact CD2-CD2 4.41Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; Q171-L173 PolarHBondContact O-N 3.16Å; L173-G176 PolarHBondContact O-N 3.4Å; L173-I177 HydrophobicContact CD1-CD1 3.89Å; L173-I177 HydrophobicContact CD1-CG2 4.01Å; L173-I177 HydrophobicContact CG-CD1 3.94Å; L173-I177 VanDerWaalsContact O-CG1 3.26Å; L173-I177 WeakPolarHBondContact O-CG1 3.22Å; L173-I177 PolarHBondContact O-N 3.17Å |
| 174 | A | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -46.7 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | F170 Q171 G176 I177 Y178 L221 F226 | F170-A174 VanDerWaalsContact O-CB 3.26Å; F170-A174 WeakPolarHBondContact O-CB 3.46Å; F170-A174 PolarHBondContact O-N 2.99Å; Q171-A174 PolarHBondContact O-N 3.36Å; A174-G176 VanDerWaalsContact C-N 3.3Å; A174-G176 PolarHBondContact O-N 3.09Å; A174-I177 PolarHBondContact O-N 2.89Å; A174-Y178 VanDerWaalsContact O-CB 3.29Å; A174-Y178 WeakPolarHBondContact O-CB 3.49Å; A174-Y178 PolarHBondContact O-N 3.39Å; A174-L221 HydrophobicContact CB-CB 4.27Å; A174-L221 HydrophobicContact CB-CD2 3.95Å; A174-F226 HydrophobicContact CB-CE2 4.36Å |
| 175 | S | 95.8 | Very high | 96.6 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 48% | 0.483 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.6 | -38.2 | 177.5 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | Q171 D172 I177 | Q171-S175 PolarHBondContact O-N 2.96Å; Q171-S175 PolarHBondContact O-OG 3.25Å; D172-S175 PolarHBondContact O-OG 3.04Å; S175-I177 VanDerWaalsContact C-N 3.32Å; S175-I177 PolarHBondContact O-N 3.25Å |
| 176 | G | 95.9 | Very high | 96.7 | Very high | 59 Ų | 59 | 46.2 Ų | 46.2 | 61% | 0.608 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -70.2 | -21.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | D172 L173 A174 | D172-G176 PolarHBondContact O-N 2.82Å; L173-G176 PolarHBondContact O-N 3.4Å; A174-G176 VanDerWaalsContact C-N 3.3Å; A174-G176 PolarHBondContact O-N 3.09Å |
| 177 | I | 96.7 | Very high | 96.8 | Very high | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.046 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -121.3 | -3.7 | -173.2 | 73.2 | -176.5 | 0 | 0 | 0 | 114 | L133 F151 L173 A174 S175 F180 A181 L221 | L133-I177 HydrophobicContact CD1-CG2 3.84Å; F151-I177 HydrophobicContact CE2-CD1 4.2Å; F151-I177 HydrophobicContact CZ-CD1 3.61Å; L173-I177 HydrophobicContact CD1-CD1 3.89Å; L173-I177 HydrophobicContact CD1-CG2 4.01Å; L173-I177 HydrophobicContact CG-CD1 3.94Å; L173-I177 VanDerWaalsContact O-CG1 3.26Å; L173-I177 WeakPolarHBondContact O-CG1 3.22Å; L173-I177 PolarHBondContact O-N 3.17Å; A174-I177 PolarHBondContact O-N 2.89Å; S175-I177 VanDerWaalsContact C-N 3.32Å; S175-I177 PolarHBondContact O-N 3.25Å; I177-F180 PolarHBondContact O-N 2.89Å; I177-A181 WeakPolarHBondContact O-CB 3.46Å; I177-A181 PolarHBondContact O-N 2.73Å; I177-L221 HydrophobicContact CD1-CD1 3.86Å; I177-L221 HydrophobicContact CD1-CD2 3.78Å; I177-L221 HydrophobicContact CD1-CG 4.48Å; I177-L221 HydrophobicContact CG1-CD1 3.79Å; I177-L221 HydrophobicContact CG1-CD2 4.34Å |
| 178 | Y | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.7 | -50 | -168.9 | -162.1 | -97.2 | 0 | 0 | 0 | 112.7 | A174 F180 A181 C182 L218 L221 T222 F226 E234 V235 F238 | A174-Y178 VanDerWaalsContact O-CB 3.29Å; A174-Y178 WeakPolarHBondContact O-CB 3.49Å; A174-Y178 PolarHBondContact O-N 3.39Å; Y178-F180 VanDerWaalsContact C-N 3.34Å; Y178-F180 PolarHBondContact O-N 3.22Å; Y178-A181 PolarHBondContact O-N 2.74Å; Y178-C182 WeakPolarHBondContact CE1-SG 3.36Å; Y178-C182 PolarHBondContact O-N 2.95Å; Y178-C182 PolarHBondContact O-SG 2.92Å; Y178-L218 HydrophobicContact CD2-CD2 4.4Å; Y178-L218 HydrophobicContact CE2-CD2 4.1Å; Y178-L221 HydrophobicContact CD2-CB 3.78Å; Y178-L221 HydrophobicContact CD2-CD1 4.2Å; Y178-L221 HydrophobicContact CE2-CB 3.92Å; Y178-T222 PolarHBondContact OH-OG1 2.87Å; Y178-F226 AromaticContact CD2-CE2 3.42Å; Y178-F226 HydrophobicContact CD2-CE2 3.42Å; Y178-F226 VanDerWaalsContact CD2-CE2 3.42Å; Y178-F226 AromaticContact CD2-CZ 3.78Å; Y178-F226 HydrophobicContact CD2-CZ 3.78Å; Y178-F226 HydrophobicContact CE2-CD2 4.5Å; Y178-F226 AromaticContact CE2-CE2 3.65Å; Y178-F226 HydrophobicContact CE2-CE2 3.65Å; Y178-F226 HydrophobicContact CE2-CZ 4.32Å; Y178-F226 HydrophobicContact CG-CE2 4.02Å; Y178-F226 AromaticContact CG-CZ 3.89Å; Y178-F226 HydrophobicContact CG-CZ 3.89Å; Y178-E234 HydrophobicContact CD1-CB 3.9Å; Y178-E234 HydrophobicContact CE1-CB 4.2Å; Y178-V235 HydrophobicContact CD1-CG2 4.41Å; Y178-V235 HydrophobicContact CE1-CB 4.33Å; Y178-V235 HydrophobicContact CE1-CG2 3.79Å; Y178-V235 HydrophobicContact CE2-CG2 4.12Å; Y178-F238 HydrophobicContact CE1-CB 4.23Å; Y178-F238 WeakPolarHBondContact OH-CD1 3.44Å |
| 179 | S | 96.9 | Very high | 96.8 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 41% | 0.406 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.4 | -44.3 | 177.5 | 58.6 | 0 | 0 | 0 | 0 | 112 | C182 S183 | S179-C182 WeakPolarHBondContact O-CB 3.36Å; S179-C182 PolarHBondContact O-N 2.88Å; S179-S183 PolarHBondContact O-N 3.03Å; S179-S183 PolarHBondContact O-OG 3.41Å |
| 180 | F | 96.6 | Very high | 96.9 | Very high | 48 Ų | 48 | 36.7 Ų | 36.7 | 21% | 0.211 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 174.3 | 171.5 | -98.6 | 0 | 0 | 0 | 111.9 | L133 V136 K137 I177 Y178 C182 S183 L184 | L133-F180 HydrophobicContact CD2-CD1 3.71Å; L133-F180 HydrophobicContact CD2-CE1 3.51Å; L133-F180 HydrophobicContact CD2-CZ 4.47Å; V136-F180 HydrophobicContact CG1-CE1 4.47Å; V136-F180 HydrophobicContact CG1-CZ 4.12Å; K137-F180 HydrophobicContact CD-CE2 4.27Å; K137-F180 HydrophobicContact CG-CE2 3.79Å; K137-F180 HydrophobicContact CG-CZ 4.05Å; I177-F180 PolarHBondContact O-N 2.89Å; Y178-F180 VanDerWaalsContact C-N 3.34Å; Y178-F180 PolarHBondContact O-N 3.22Å; F180-C182 VanDerWaalsContact C-N 3.28Å; F180-C182 PolarHBondContact O-N 3.13Å; F180-S183 PolarHBondContact O-N 3.36Å; F180-L184 HydrophobicContact CE1-CD2 4.46Å; F180-L184 WeakPolarHBondContact O-CB 3.47Å; F180-L184 PolarHBondContact O-N 3.15Å |
| 181 | A | 97.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.5 | -36.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | I177 Y178 W185 V217 L218 L221 | I177-A181 WeakPolarHBondContact O-CB 3.46Å; I177-A181 PolarHBondContact O-N 2.73Å; Y178-A181 PolarHBondContact O-N 2.74Å; A181-W185 WeakPolarHBondContact O-CB 3.49Å; A181-W185 PolarHBondContact O-N 3.19Å; A181-V217 HydrophobicContact CB-CG1 4.44Å; A181-L218 HydrophobicContact CB-CD2 3.61Å; A181-L218 HydrophobicContact CB-CG 4.03Å; A181-L221 HydrophobicContact CB-CD1 3.99Å |
| 182 | C | 97.6 | Very high | 96.8 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 14% | 0.142 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64 | -50.4 | 174.8 | -70 | 0 | 0 | 0 | 0 | 111.2 | Y178 S179 F180 L184 W185 S186 L218 | Y178-C182 WeakPolarHBondContact CE1-SG 3.36Å; Y178-C182 PolarHBondContact O-N 2.95Å; Y178-C182 PolarHBondContact O-SG 2.92Å; S179-C182 WeakPolarHBondContact O-CB 3.36Å; S179-C182 PolarHBondContact O-N 2.88Å; F180-C182 VanDerWaalsContact C-N 3.28Å; F180-C182 PolarHBondContact O-N 3.13Å; C182-L184 VanDerWaalsContact C-N 3.3Å; C182-L184 PolarHBondContact O-N 3.46Å; C182-W185 PolarHBondContact O-N 3.32Å; C182-S186 PolarHBondContact O-N 3.39Å; C182-S186 PolarHBondContact O-OG 3.07Å; C182-L218 VanDerWaalsContact SG-CD2 3.51Å |
| 183 | S | 97.1 | Very high | 96.7 | Very high | 79 Ų | 79 | 31.7 Ų | 31.7 | 55% | 0.552 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -59.1 | -42.3 | 178.3 | -64 | 0 | 0 | 0 | 0 | 112 | S179 F180 S186 H187 | S179-S183 PolarHBondContact O-N 3.03Å; S179-S183 PolarHBondContact O-OG 3.41Å; F180-S183 PolarHBondContact O-N 3.36Å; S183-S186 PolarHBondContact O-N 3.29Å; S183-H187 VanDerWaalsContact O-CB 3.31Å; S183-H187 WeakPolarHBondContact O-CB 3.39Å; S183-H187 PolarHBondContact O-N 3Å |
| 184 | L | 96.3 | Very high | 96.7 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 176.6 | -175.2 | 73.2 | 0 | 0 | 0 | 112 | V136 L148 F180 C182 H188 | V136-L184 HydrophobicContact CG1-CD1 3.56Å; V136-L184 HydrophobicContact CG1-CD2 3.4Å; V136-L184 VanDerWaalsContact CG1-CD2 3.4Å; V136-L184 HydrophobicContact CG1-CG 4.12Å; L148-L184 HydrophobicContact CD1-CD2 3.79Å; L148-L184 HydrophobicContact CD2-CD2 4.38Å; F180-L184 HydrophobicContact CE1-CD2 4.46Å; F180-L184 WeakPolarHBondContact O-CB 3.47Å; F180-L184 PolarHBondContact O-N 3.15Å; C182-L184 VanDerWaalsContact C-N 3.3Å; C182-L184 PolarHBondContact O-N 3.46Å; L184-H188 WeakPolarHBondContact CD1-NE2 3.27Å; L184-H188 PolarHBondContact O-CD2 3.17Å; L184-H188 VanDerWaalsContact O-CD2 3.22Å; L184-H188 PolarHBondContact O-N 2.93Å; L184-H188 VanDerWaalsContact O-N 3.1Å |
| 185 | W | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 177.2 | 167.1 | 72.6 | 0 | 0 | 0 | 111.7 | A181 C182 H187 H188 T189 S214 L218 F238 A241 V242 R245 Y273 | A181-W185 WeakPolarHBondContact O-CB 3.49Å; A181-W185 PolarHBondContact O-N 3.19Å; C182-W185 PolarHBondContact O-N 3.32Å; W185-H187 PolarHBondContact O-N 3.33Å; W185-H188 PolarHBondContact O-N 3.47Å; W185-T189 PolarHBondContact NE1-OG1 3.49Å; W185-T189 VanDerWaalsContact O-CB 3.27Å; W185-T189 WeakPolarHBondContact O-CB 3.16Å; W185-T189 PolarHBondContact O-N 3.26Å; W185-T189 PolarHBondContact O-OG1 2.77Å; W185-S214 WeakPolarHBondContact CA-OG 3.26Å; W185-L218 HydrophobicContact CB-CD1 3.44Å; W185-L218 VanDerWaalsContact CB-CD1 3.44Å; W185-L218 HydrophobicContact CD2-CD1 4.18Å; W185-L218 HydrophobicContact CE3-CD1 4.39Å; W185-L218 HydrophobicContact CG-CD1 3.78Å; W185-F238 HydrophobicContact CD2-CE2 4.15Å; W185-F238 AromaticContact CE3-CD2 3.99Å; W185-F238 HydrophobicContact CE3-CD2 3.99Å; W185-F238 AromaticContact CE3-CE2 3.99Å; W185-F238 HydrophobicContact CE3-CE2 3.99Å; W185-F238 HydrophobicContact CH2-CE2 4.44Å; W185-F238 AromaticContact CZ3-CD2 3.98Å; W185-F238 HydrophobicContact CZ3-CD2 3.98Å; W185-F238 HydrophobicContact CZ3-CE2 4.13Å; W185-A241 HydrophobicContact CH2-CB 4.01Å; W185-A241 HydrophobicContact CZ3-CB 3.89Å; W185-V242 HydrophobicContact CH2-CG2 3.89Å; W185-V242 HydrophobicContact CZ2-CG2 3.95Å; W185-R245 HydrophobicContact CH2-CB 4.3Å; W185-R245 HydrophobicContact CH2-CG 3.62Å; W185-R245 HydrophobicContact CZ2-CB 4.12Å; W185-R245 HydrophobicContact CZ2-CG 3.81Å; W185-Y273 AromaticContact CE2-CE1 3.93Å; W185-Y273 AromaticContact CZ2-CE1 3.5Å; W185-Y273 HydrophobicContact CZ2-CE1 3.5Å; W185-Y273 VanDerWaalsContact CZ2-CE1 3.5Å; W185-Y273 AromaticContact CZ2-CZ 3.86Å; W185-Y273 WeakPolarHBondContact CZ2-OH 3.49Å; W185-Y273 AromaticContact NE1-CE1 3.83Å; W185-Y273 PolarHBondContact NE1-OH 2.88Å |
| 186 | S | 97.6 | Very high | 96.4 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 26% | 0.259 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.5 | -49.2 | 178.1 | -65.6 | 0 | 0 | 0 | 0 | 111 | C182 S183 H188 T189 D190 | C182-S186 PolarHBondContact O-N 3.39Å; C182-S186 PolarHBondContact O-OG 3.07Å; S183-S186 PolarHBondContact O-N 3.29Å; S186-H188 PolarHBondContact O-N 2.91Å; S186-T189 WeakPolarHBondContact O-CB 3.42Å; S186-T189 PolarHBondContact O-N 3.49Å; S186-D190 PolarHBondContact O-N 2.85Å |
| 187 | H | 96.6 | Very high | 96.2 | Very high | 107 Ų | 107 | 38.2 Ų | 38.2 | 50% | 0.495 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56 | -52.3 | 178.7 | 174 | 65.6 | 0 | 0 | 0 | 112.4 | S183 W185 T189 D190 C191 | S183-H187 VanDerWaalsContact O-CB 3.31Å; S183-H187 WeakPolarHBondContact O-CB 3.39Å; S183-H187 PolarHBondContact O-N 3Å; W185-H187 PolarHBondContact O-N 3.33Å; H187-T189 VanDerWaalsContact C-N 3.29Å; H187-T189 PolarHBondContact O-N 2.97Å; H187-D190 PolarHBondContact O-N 3.41Å; H187-C191 VanDerWaalsContact CE1-SG 3.56Å; H187-C191 PolarHBondContact O-N 3.04Å; H187-C191 PolarHBondContact O-SG 3.07Å; H187-C191 VanDerWaalsContact O-SG 3.32Å |
| 188 | H | 96.6 | Very high | 96 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.1 | -30.8 | -179.8 | -68.3 | -46.3 | 0 | 0 | 0 | 113 | Q144 L184 W185 S186 F192 R210 T211 | Q144-H188 PolarHBondContact OE1-CE1 3.12Å; L184-H188 WeakPolarHBondContact CD1-NE2 3.27Å; L184-H188 PolarHBondContact O-CD2 3.17Å; L184-H188 VanDerWaalsContact O-CD2 3.22Å; L184-H188 PolarHBondContact O-N 2.93Å; L184-H188 VanDerWaalsContact O-N 3.1Å; W185-H188 PolarHBondContact O-N 3.47Å; S186-H188 PolarHBondContact O-N 2.91Å; H188-F192 WeakPolarHBondContact O-CB 3.05Å; H188-F192 PolarHBondContact O-N 3.26Å; H188-R210 HydrophobicContact CB-CB 4.01Å; H188-T211 PolarHBondContact O-OG1 2.92Å |
| 189 | T | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 173.5 | -57.2 | 0 | 0 | 0 | 0 | 111 | W185 S186 H187 F192 L193 T211 R245 F249 | W185-T189 PolarHBondContact NE1-OG1 3.49Å; W185-T189 VanDerWaalsContact O-CB 3.27Å; W185-T189 WeakPolarHBondContact O-CB 3.16Å; W185-T189 PolarHBondContact O-N 3.26Å; W185-T189 PolarHBondContact O-OG1 2.77Å; S186-T189 WeakPolarHBondContact O-CB 3.42Å; S186-T189 PolarHBondContact O-N 3.49Å; H187-T189 VanDerWaalsContact C-N 3.29Å; H187-T189 PolarHBondContact O-N 2.97Å; T189-F192 PolarHBondContact O-N 2.69Å; T189-L193 HydrophobicContact CG2-CD1 4.41Å; T189-L193 WeakPolarHBondContact O-CG 3.49Å; T189-L193 PolarHBondContact O-N 2.98Å; T189-T211 WeakPolarHBondContact CA-OG1 3.43Å; T189-T211 PolarHBondContact N-OG1 2.99Å; T189-T211 VanDerWaalsContact OG1-CG2 3.26Å; T189-T211 WeakPolarHBondContact OG1-CG2 3.48Å; T189-R245 HydrophobicContact CG2-CB 4.47Å; T189-R245 HydrophobicContact CG2-CG 4.08Å; T189-F249 HydrophobicContact CG2-CE2 3.62Å; T189-F249 HydrophobicContact CG2-CZ 4.05Å |
| 190 | D | 97.4 | Very high | 95.5 | Very high | 68 Ų | 68 | 52.3 Ų | 52.3 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 176.2 | -71.1 | -35.6 | 0 | 0 | 0 | 111.5 | S186 H187 F192 L193 Q194 R245 | S186-D190 PolarHBondContact O-N 2.85Å; H187-D190 PolarHBondContact O-N 3.41Å; D190-F192 VanDerWaalsContact C-N 3.34Å; D190-F192 PolarHBondContact O-N 2.94Å; D190-L193 PolarHBondContact O-N 3.31Å; D190-Q194 WeakPolarHBondContact O-CB 3.16Å; D190-Q194 PolarHBondContact O-N 2.91Å; D190-R245 IonicContact OD1-CZ 3.11Å; D190-R245 IonicContact OD1-NH1 2.78Å; D190-R245 PolarHBondContact OD1-NH1 3.17Å; D190-R245 IonicContact OD1-NH2 2.7Å; D190-R245 PolarHBondContact OD1-NH2 3.38Å; D190-R245 IonicContact OD2-NH2 3.39Å; D190-R245 PolarHBondContact OD2-NH2 3.49Å |
| 191 | C | 96 | Very high | 95.2 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -56.8 | -47.5 | 172.6 | -69.3 | 0 | 0 | 0 | 0 | 111.5 | H187 L193 Q194 Q195 | H187-C191 VanDerWaalsContact CE1-SG 3.56Å; H187-C191 PolarHBondContact O-N 3.04Å; H187-C191 PolarHBondContact O-SG 3.07Å; H187-C191 VanDerWaalsContact O-SG 3.32Å; C191-L193 PolarHBondContact O-N 3.22Å; C191-Q194 PolarHBondContact O-N 3.47Å; C191-Q195 VanDerWaalsContact O-CG 3.27Å; C191-Q195 WeakPolarHBondContact O-CG 3.24Å; C191-Q195 PolarHBondContact O-N 3.36Å |
| 192 | F | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.7 | -49.8 | 178.1 | 166.3 | -109.3 | 0 | 0 | 0 | 112 | H188 T189 D190 Q194 Q195 V196 A204 L208 F249 L266 | H188-F192 WeakPolarHBondContact O-CB 3.05Å; H188-F192 PolarHBondContact O-N 3.26Å; T189-F192 PolarHBondContact O-N 2.69Å; D190-F192 VanDerWaalsContact C-N 3.34Å; D190-F192 PolarHBondContact O-N 2.94Å; F192-Q194 VanDerWaalsContact C-N 3.3Å; F192-Q194 PolarHBondContact O-N 3.19Å; F192-Q195 PolarHBondContact O-N 3.28Å; F192-V196 HydrophobicContact CD2-CG2 3.94Å; F192-V196 HydrophobicContact CE1-CG2 4.16Å; F192-V196 HydrophobicContact CE2-CG2 3.4Å; F192-V196 HydrophobicContact CZ-CG2 3.53Å; F192-V196 WeakPolarHBondContact O-CG2 3.47Å; F192-V196 PolarHBondContact O-N 3.12Å; F192-A204 HydrophobicContact CD2-CB 4.14Å; F192-A204 WeakPolarHBondContact CD2-O 3.27Å; F192-A204 HydrophobicContact CE2-CB 4.2Å; F192-L208 HydrophobicContact CD1-CD1 4.41Å; F192-L208 HydrophobicContact CD2-CB 3.69Å; F192-L208 HydrophobicContact CD2-CD1 4.28Å; F192-L208 HydrophobicContact CD2-CG 4.4Å; F192-L208 HydrophobicContact CE1-CD1 4.27Å; F192-L208 HydrophobicContact CE2-CB 3.9Å; F192-L208 HydrophobicContact CE2-CD1 4.13Å; F192-L208 HydrophobicContact CE2-CD2 3.95Å; F192-L208 HydrophobicContact CE2-CG 4.22Å; F192-L208 HydrophobicContact CG-CB 4.33Å; F192-L208 HydrophobicContact CG-CD1 4.4Å; F192-L208 HydrophobicContact CZ-CD1 4.12Å; F192-L208 HydrophobicContact CZ-CD2 4.29Å; F192-F249 AromaticContact CD1-CE1 3.99Å; F192-F249 HydrophobicContact CD1-CE1 3.99Å; F192-F249 AromaticContact CD1-CE2 3.85Å; F192-F249 HydrophobicContact CD1-CE2 3.85Å; F192-F249 AromaticContact CD1-CZ 3.39Å; F192-F249 HydrophobicContact CD1-CZ 3.39Å; F192-F249 HydrophobicContact CE1-CD1 4.34Å; F192-F249 AromaticContact CE1-CE1 3.77Å; F192-F249 HydrophobicContact CE1-CE1 3.77Å; F192-F249 HydrophobicContact CE1-CE2 4.04Å; F192-F249 AromaticContact CE1-CZ 3.61Å; F192-F249 HydrophobicContact CE1-CZ 3.61Å; F192-F249 HydrophobicContact CG-CZ 4.45Å; F192-L266 HydrophobicContact CE1-CD1 3.92Å; F192-L266 HydrophobicContact CZ-CD1 3.77Å |
| 193 | L | 94.9 | Very high | 94.7 | Very high | 24 Ų | 24 | 58.1 Ų | 58.1 | 13% | 0.126 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.2 | -41.2 | -180 | -65.7 | 171.7 | 0 | 0 | 0 | 111.5 | T189 D190 C191 V196 C197 Q248 F249 C252 | T189-L193 HydrophobicContact CG2-CD1 4.41Å; T189-L193 WeakPolarHBondContact O-CG 3.49Å; T189-L193 PolarHBondContact O-N 2.98Å; D190-L193 PolarHBondContact O-N 3.31Å; C191-L193 PolarHBondContact O-N 3.22Å; L193-V196 PolarHBondContact O-N 3.44Å; L193-C197 PolarHBondContact O-N 2.96Å; L193-C197 VanDerWaalsContact O-N 3.12Å; L193-C197 PolarHBondContact O-SG 2.92Å; L193-C197 VanDerWaalsContact O-SG 3.36Å; L193-Q248 HydrophobicContact CD1-CB 4.35Å; L193-Q248 HydrophobicContact CD2-CB 4.21Å; L193-F249 HydrophobicContact CD2-CD2 4.28Å; L193-F249 HydrophobicContact CD2-CE2 4.1Å; L193-F249 HydrophobicContact CG-CE2 4.44Å; L193-C252 VanDerWaalsContact CD2-SG 3.51Å |
| 194 | Q | 95.6 | Very high | 94.5 | Very high | 129 Ų | 129 | 54.5 Ų | 54.5 | 60% | 0.603 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.6 | -44.2 | 175.2 | -175.4 | -178.6 | -3.5 | 0 | 0 | 112 | D190 C191 F192 C197 A198 | D190-Q194 WeakPolarHBondContact O-CB 3.16Å; D190-Q194 PolarHBondContact O-N 2.91Å; C191-Q194 PolarHBondContact O-N 3.47Å; F192-Q194 VanDerWaalsContact C-N 3.3Å; F192-Q194 PolarHBondContact O-N 3.19Å; Q194-C197 WeakPolarHBondContact O-CB 3.36Å; Q194-C197 PolarHBondContact O-N 3.18Å; Q194-A198 WeakPolarHBondContact O-CB 3.25Å; Q194-A198 PolarHBondContact O-N 3.4Å |
| 195 | Q | 94.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69.7 | -33.5 | -179.2 | -63.1 | -53.1 | -19.2 | 0 | 0 | 112.7 | C191 F192 A198 R199 D200 A203 A204 | C191-Q195 VanDerWaalsContact O-CG 3.27Å; C191-Q195 WeakPolarHBondContact O-CG 3.24Å; C191-Q195 PolarHBondContact O-N 3.36Å; F192-Q195 PolarHBondContact O-N 3.28Å; Q195-A198 CarbonylContact O-C 3.55Å; Q195-A198 PolarHBondContact O-N 2.95Å; Q195-R199 PolarHBondContact O-N 3.43Å; Q195-D200 PolarHBondContact O-N 3.37Å; Q195-A203 HydrophobicContact CB-CB 4.2Å; Q195-A203 HydrophobicContact CG-CB 3.66Å; Q195-A204 HydrophobicContact CB-CB 3.84Å |
| 196 | V | 91.9 | Very high | 94.2 | Very high | 21 Ų | 21 | 59.1 Ų | 59.1 | 13% | 0.127 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -45 | 171.2 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | F192 L193 A198 R199 A204 V256 | F192-V196 HydrophobicContact CD2-CG2 3.94Å; F192-V196 HydrophobicContact CE1-CG2 4.16Å; F192-V196 HydrophobicContact CE2-CG2 3.4Å; F192-V196 HydrophobicContact CZ-CG2 3.53Å; F192-V196 WeakPolarHBondContact O-CG2 3.47Å; F192-V196 PolarHBondContact O-N 3.12Å; L193-V196 PolarHBondContact O-N 3.44Å; V196-A198 VanDerWaalsContact C-N 3.33Å; V196-A198 PolarHBondContact O-N 3.26Å; V196-R199 PolarHBondContact O-N 3.43Å; V196-R199 VanDerWaalsContact O-N 3.13Å; V196-A204 HydrophobicContact CG2-CB 4.09Å; V196-V256 HydrophobicContact CG1-CG2 4.49Å |
| 197 | C | 91.7 | Very high | 94.1 | Very high | 100 Ų | 100 | 58.1 Ų | 58.1 | 68% | 0.676 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.9 | -39.3 | 175.2 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | L193 Q194 R199 | L193-C197 PolarHBondContact O-N 2.96Å; L193-C197 VanDerWaalsContact O-N 3.12Å; L193-C197 PolarHBondContact O-SG 2.92Å; L193-C197 VanDerWaalsContact O-SG 3.36Å; Q194-C197 WeakPolarHBondContact O-CB 3.36Å; Q194-C197 PolarHBondContact O-N 3.18Å; C197-R199 PolarHBondContact O-N 2.91Å |
| 198 | A | 93.2 | Very high | 94.1 | Very high | 65 Ų | 65 | 53 Ų | 53 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.7 | -8.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q194 Q195 V196 D200 | Q194-A198 WeakPolarHBondContact O-CB 3.25Å; Q194-A198 PolarHBondContact O-N 3.4Å; Q195-A198 CarbonylContact O-C 3.55Å; Q195-A198 PolarHBondContact O-N 2.95Å; V196-A198 VanDerWaalsContact C-N 3.33Å; V196-A198 PolarHBondContact O-N 3.26Å; A198-D200 PolarHBondContact O-N 3.31Å |
| 199 | R | 90.4 | Very high | 94 | Very high | 226 Ų | 226 | 54.1 Ų | 54.1 | 85% | 0.853 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 30.1 | -175 | -54.1 | -175.1 | 177.1 | -162.9 | -1.2 | 113.7 | Q195 V196 C197 E201 | Q195-R199 PolarHBondContact O-N 3.43Å; V196-R199 PolarHBondContact O-N 3.43Å; V196-R199 VanDerWaalsContact O-N 3.13Å; C197-R199 PolarHBondContact O-N 2.91Å; R199-E201 PolarHBondContact O-N 3.28Å |
| 200 | D | 92.3 | Very high | 94 | Very high | 72 Ų | 72 | 55.1 Ų | 55.1 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | trans | -91.8 | 93.6 | 170.2 | -173.4 | -23.7 | 0 | 0 | 0 | 109.2 | Q195 A198 A202 A203 A204 | Q195-D200 PolarHBondContact O-N 3.37Å; A198-D200 PolarHBondContact O-N 3.31Å; D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 3.43Å; D200-A202 PolarHBondContact OD1-N 3.18Å; D200-A203 HydrophobicContact CB-CB 4.05Å; D200-A203 WeakPolarHBondContact OD1-CB 3.43Å; D200-A203 PolarHBondContact OD1-N 3.39Å; D200-A203 WeakPolarHBondContact OD2-CB 3.48Å; D200-A204 WeakPolarHBondContact O-CB 3.17Å; D200-A204 PolarHBondContact O-N 3.05Å | ||
| 201 | E | 90.1 | Very high | 94 | Very high | 108 Ų | 108 | 51.9 Ų | 51.9 | 51% | 0.505 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65 | -35.2 | -176.9 | -64 | -159.9 | 141.9 | 0 | 0 | 113.1 | R199 L205 S260 | R199-E201 PolarHBondContact O-N 3.28Å; E201-L205 WeakPolarHBondContact O-CB 3.35Å; E201-L205 PolarHBondContact O-N 2.91Å; E201-S260 PolarHBondContact OE1-OG 2.83Å |
| 202 | A | 91.9 | Very high | 94.1 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 53% | 0.529 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.3 | -45.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D200 N206 | D200-A202 VanDerWaalsContact C-N 3.32Å; D200-A202 PolarHBondContact O-N 3.43Å; D200-A202 PolarHBondContact OD1-N 3.18Å; A202-N206 WeakPolarHBondContact O-CB 3.44Å; A202-N206 PolarHBondContact O-N 2.91Å; A202-N206 VanDerWaalsContact O-N 3.15Å; A202-N206 PolarHBondContact O-ND2 3.3Å |
| 203 | A | 93 | Very high | 94.1 | Very high | 22 Ų | 22 | 52.4 Ų | 52.4 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q195 D200 L205 N206 S207 | Q195-A203 HydrophobicContact CB-CB 4.2Å; Q195-A203 HydrophobicContact CG-CB 3.66Å; D200-A203 HydrophobicContact CB-CB 4.05Å; D200-A203 WeakPolarHBondContact OD1-CB 3.43Å; D200-A203 PolarHBondContact OD1-N 3.39Å; D200-A203 WeakPolarHBondContact OD2-CB 3.48Å; A203-L205 PolarHBondContact O-N 3.22Å; A203-N206 WeakPolarHBondContact O-CB 3.27Å; A203-N206 PolarHBondContact O-N 2.93Å; A203-S207 PolarHBondContact O-N 3.18Å; A203-S207 PolarHBondContact O-OG 3.18Å |
| 204 | A | 94 | Very high | 94.3 | Very high | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F192 Q195 V196 D200 N206 S207 L208 | F192-A204 HydrophobicContact CD2-CB 4.14Å; F192-A204 WeakPolarHBondContact CD2-O 3.27Å; F192-A204 HydrophobicContact CE2-CB 4.2Å; Q195-A204 HydrophobicContact CB-CB 3.84Å; V196-A204 HydrophobicContact CG2-CB 4.09Å; D200-A204 WeakPolarHBondContact O-CB 3.17Å; D200-A204 PolarHBondContact O-N 3.05Å; A204-N206 VanDerWaalsContact C-N 3.31Å; A204-N206 PolarHBondContact O-N 2.95Å; A204-S207 PolarHBondContact O-N 3.4Å; A204-L208 VanDerWaalsContact O-CB 3.23Å; A204-L208 WeakPolarHBondContact O-CB 3.41Å; A204-L208 PolarHBondContact O-N 2.75Å |
| 205 | L | 93.4 | Very high | 94.4 | Very high | 41 Ų | 41 | 45.2 Ų | 45.2 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.2 | -45.6 | 177.3 | -176.1 | 64 | 0 | 0 | 0 | 111.4 | E201 A203 L208 E209 P261 K265 | E201-L205 WeakPolarHBondContact O-CB 3.35Å; E201-L205 PolarHBondContact O-N 2.91Å; A203-L205 PolarHBondContact O-N 3.22Å; L205-L208 PolarHBondContact O-N 2.95Å; L205-E209 WeakPolarHBondContact O-CG 3.35Å; L205-E209 PolarHBondContact O-N 3.39Å; L205-P261 HydrophobicContact CD2-CB 4.37Å; L205-K265 HydrophobicContact CD1-CD 3.67Å |
| 206 | N | 93.8 | Very high | 94.6 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 39% | 0.39 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.7 | -48.6 | 177.5 | -87.5 | -65.3 | 0 | 0 | 0 | 112.4 | A202 A203 A204 R210 | A202-N206 WeakPolarHBondContact O-CB 3.44Å; A202-N206 PolarHBondContact O-N 2.91Å; A202-N206 VanDerWaalsContact O-N 3.15Å; A202-N206 PolarHBondContact O-ND2 3.3Å; A203-N206 WeakPolarHBondContact O-CB 3.27Å; A203-N206 PolarHBondContact O-N 2.93Å; A204-N206 VanDerWaalsContact C-N 3.31Å; A204-N206 PolarHBondContact O-N 2.95Å; N206-R210 PolarHBondContact O-N 3.48Å; N206-R210 PolarHBondContact O-NH1 3.32Å |
| 207 | S | 95.5 | Very high | 94.9 | Very high | 16 Ų | 16 | 44.8 Ų | 44.8 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 177.4 | -63.3 | 0 | 0 | 0 | 0 | 111.6 | A203 A204 E209 R210 T211 | A203-S207 PolarHBondContact O-N 3.18Å; A203-S207 PolarHBondContact O-OG 3.18Å; A204-S207 PolarHBondContact O-N 3.4Å; S207-E209 VanDerWaalsContact C-N 3.35Å; S207-E209 PolarHBondContact O-N 2.92Å; S207-R210 PolarHBondContact O-N 3.25Å; S207-R210 VanDerWaalsContact O-N 3.14Å; S207-T211 PolarHBondContact O-N 3.03Å; S207-T211 PolarHBondContact O-OG1 3.49Å |
| 208 | L | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.6 | -40 | 178.9 | -176.3 | 57.2 | 0 | 0 | 0 | 112.6 | F192 A204 L205 R210 T211 L212 F249 C262 K265 L266 | F192-L208 HydrophobicContact CD1-CD1 4.41Å; F192-L208 HydrophobicContact CD2-CB 3.69Å; F192-L208 HydrophobicContact CD2-CD1 4.28Å; F192-L208 HydrophobicContact CD2-CG 4.4Å; F192-L208 HydrophobicContact CE1-CD1 4.27Å; F192-L208 HydrophobicContact CE2-CB 3.9Å; F192-L208 HydrophobicContact CE2-CD1 4.13Å; F192-L208 HydrophobicContact CE2-CD2 3.95Å; F192-L208 HydrophobicContact CE2-CG 4.22Å; F192-L208 HydrophobicContact CG-CB 4.33Å; F192-L208 HydrophobicContact CG-CD1 4.4Å; F192-L208 HydrophobicContact CZ-CD1 4.12Å; F192-L208 HydrophobicContact CZ-CD2 4.29Å; A204-L208 VanDerWaalsContact O-CB 3.23Å; A204-L208 WeakPolarHBondContact O-CB 3.41Å; A204-L208 PolarHBondContact O-N 2.75Å; L205-L208 PolarHBondContact O-N 2.95Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 3.34Å; L208-T211 PolarHBondContact O-N 3.36Å; L208-L212 WeakPolarHBondContact O-CB 3.26Å; L208-L212 PolarHBondContact O-N 2.76Å; L208-F249 HydrophobicContact CD1-CE1 3.82Å; L208-F249 HydrophobicContact CD1-CZ 4.45Å; L208-C262 HydrophobicContact CD2-CB 4.25Å; L208-K265 HydrophobicContact CD2-CB 3.74Å; L208-K265 HydrophobicContact CG-CB 4.18Å; L208-L266 HydrophobicContact CD1-CD1 4.4Å; L208-L266 HydrophobicContact CD2-CB 4.12Å |
| 209 | E | 95.7 | Very high | 95.3 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 174.7 | -74.7 | -175.1 | 154.4 | 0 | 0 | 112.1 | H145 L205 S207 L212 L213 K265 | H145-E209 IonicContact NE2-OE2 3.03Å; L205-E209 WeakPolarHBondContact O-CG 3.35Å; L205-E209 PolarHBondContact O-N 3.39Å; S207-E209 VanDerWaalsContact C-N 3.35Å; S207-E209 PolarHBondContact O-N 2.92Å; E209-L212 PolarHBondContact O-N 2.94Å; E209-L213 WeakPolarHBondContact O-CG 3.38Å; E209-L213 PolarHBondContact O-N 3.4Å; E209-K265 HydrophobicContact CG-CD 3.77Å; E209-K265 WeakPolarHBondContact OE1-CE 3.41Å; E209-K265 IonicContact OE1-NZ 2.58Å; E209-K265 PolarHBondContact OE1-NZ 3.02Å |
| 210 | R | 96.5 | Very high | 95.6 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.2 | -39.9 | 177.4 | -64.4 | 172.1 | 178.4 | 70.7 | -2.8 | 111.8 | G141 L148 H188 N206 S207 L208 L212 L213 S214 | G141-R210 VanDerWaalsContact C-NH2 3.32Å; G141-R210 PolarHBondContact O-NH2 2.65Å; L148-R210 HydrophobicContact CD2-CB 4.08Å; L148-R210 HydrophobicContact CD2-CG 4.4Å; H188-R210 HydrophobicContact CB-CB 4.01Å; N206-R210 PolarHBondContact O-N 3.48Å; N206-R210 PolarHBondContact O-NH1 3.32Å; S207-R210 PolarHBondContact O-N 3.25Å; S207-R210 VanDerWaalsContact O-N 3.14Å; L208-R210 VanDerWaalsContact C-N 3.32Å; L208-R210 PolarHBondContact O-N 3.34Å; R210-L212 VanDerWaalsContact C-N 3.32Å; R210-L212 PolarHBondContact O-N 2.97Å; R210-L213 PolarHBondContact O-N 3.2Å; R210-S214 WeakPolarHBondContact O-CB 3.32Å; R210-S214 PolarHBondContact O-N 3.36Å; R210-S214 PolarHBondContact O-OG 3.06Å |
| 211 | T | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 171 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | H188 T189 S207 L208 S214 L215 F249 T269 | H188-T211 PolarHBondContact O-OG1 2.92Å; T189-T211 WeakPolarHBondContact CA-OG1 3.43Å; T189-T211 PolarHBondContact N-OG1 2.99Å; T189-T211 VanDerWaalsContact OG1-CG2 3.26Å; T189-T211 WeakPolarHBondContact OG1-CG2 3.48Å; S207-T211 PolarHBondContact O-N 3.03Å; S207-T211 PolarHBondContact O-OG1 3.49Å; L208-T211 PolarHBondContact O-N 3.36Å; T211-S214 WeakPolarHBondContact CA-OG 3.44Å; T211-S214 PolarHBondContact O-OG 3.47Å; T211-L215 WeakPolarHBondContact O-CB 3.32Å; T211-L215 PolarHBondContact O-N 2.98Å; T211-F249 HydrophobicContact CG2-CZ 4.1Å; T211-T269 HydrophobicContact CG2-CG2 4.4Å |
| 212 | L | 97.1 | Very high | 96.1 | Very high | 27 Ų | 27 | 22.5 Ų | 22.5 | 14% | 0.141 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 179.7 | 179 | 61.2 | 0 | 0 | 0 | 111.8 | L208 E209 R210 K216 L272 | L208-L212 WeakPolarHBondContact O-CB 3.26Å; L208-L212 PolarHBondContact O-N 2.76Å; E209-L212 PolarHBondContact O-N 2.94Å; R210-L212 VanDerWaalsContact C-N 3.32Å; R210-L212 PolarHBondContact O-N 2.97Å; L212-K216 HydrophobicContact CD1-CD 4.16Å; L212-K216 HydrophobicContact CD1-CG 4.41Å; L212-K216 HydrophobicContact CG-CD 4.07Å; L212-K216 WeakPolarHBondContact O-CD 3.19Å; L212-K216 WeakPolarHBondContact O-CG 3.41Å; L212-K216 PolarHBondContact O-N 3.36Å; L212-L272 HydrophobicContact CD1-CD2 3.77Å |
| 213 | L | 97.9 | Very high | 96.2 | Very high | 13 Ų | 13 | 22.1 Ų | 22.1 | 7% | 0.068 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -65.6 | -46.1 | 179.8 | -71.2 | 170.6 | 0 | 0 | 0 | 112.4 | L148 L149 Y152 E209 R210 K216 V217 | L148-L213 HydrophobicContact CD2-CB 3.87Å; L148-L213 HydrophobicContact CD2-CD1 4.46Å; L148-L213 HydrophobicContact CG-CB 3.74Å; L148-L213 HydrophobicContact CG-CD1 4.24Å; L149-L213 HydrophobicContact CB-CD1 4.13Å; L149-L213 HydrophobicContact CD1-CD2 3.93Å; Y152-L213 HydrophobicContact CD1-CD2 4.05Å; Y152-L213 HydrophobicContact CG-CD2 4.21Å; E209-L213 WeakPolarHBondContact O-CG 3.38Å; E209-L213 PolarHBondContact O-N 3.4Å; R210-L213 PolarHBondContact O-N 3.2Å; L213-K216 WeakPolarHBondContact O-CB 3.46Å; L213-K216 PolarHBondContact O-N 3.44Å; L213-V217 WeakPolarHBondContact O-CG2 3.41Å; L213-V217 PolarHBondContact O-N 3.09Å |
| 214 | S | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.3 | -40.4 | 177.2 | 54.7 | 0 | 0 | 0 | 0 | 112 | W185 R210 T211 K216 V217 L218 | W185-S214 WeakPolarHBondContact CA-OG 3.26Å; R210-S214 WeakPolarHBondContact O-CB 3.32Å; R210-S214 PolarHBondContact O-N 3.36Å; R210-S214 PolarHBondContact O-OG 3.06Å; T211-S214 WeakPolarHBondContact CA-OG 3.44Å; T211-S214 PolarHBondContact O-OG 3.47Å; S214-K216 VanDerWaalsContact C-N 3.32Å; S214-K216 PolarHBondContact O-N 3.5Å; S214-V217 WeakPolarHBondContact O-CB 3.25Å; S214-V217 PolarHBondContact O-N 2.87Å; S214-L218 PolarHBondContact O-N 3.19Å |
| 215 | L | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.3 | -38.3 | 173.2 | -175.8 | 60.1 | 0 | 0 | 0 | 112.3 | T211 L218 R219 F238 V242 T269 L272 Y273 V276 | T211-L215 WeakPolarHBondContact O-CB 3.32Å; T211-L215 PolarHBondContact O-N 2.98Å; L215-L218 PolarHBondContact O-N 3.18Å; L215-R219 WeakPolarHBondContact O-CB 3.27Å; L215-R219 PolarHBondContact O-N 2.91Å; L215-F238 HydrophobicContact CD1-CE2 4.15Å; L215-F238 HydrophobicContact CD1-CZ 3.84Å; L215-V242 HydrophobicContact CD1-CG2 4.25Å; L215-T269 HydrophobicContact CD2-CG2 4.15Å; L215-L272 HydrophobicContact CB-CD2 4.08Å; L215-L272 HydrophobicContact CD2-CB 4.03Å; L215-L272 HydrophobicContact CD2-CD2 3.7Å; L215-L272 HydrophobicContact CD2-CG 3.74Å; L215-L272 HydrophobicContact CG-CD2 3.68Å; L215-L272 HydrophobicContact CG-CG 3.94Å; L215-Y273 HydrophobicContact CD1-CD1 3.92Å; L215-Y273 HydrophobicContact CD1-CE1 3.78Å; L215-Y273 HydrophobicContact CD2-CD1 3.38Å; L215-Y273 HydrophobicContact CD2-CE1 3.36Å; L215-Y273 HydrophobicContact CD2-CG 4.07Å; L215-Y273 HydrophobicContact CG-CD1 4.3Å; L215-Y273 HydrophobicContact CG-CE1 4.19Å; L215-V276 HydrophobicContact CD1-CG2 4.06Å; L215-V276 HydrophobicContact CG-CG2 4.49Å |
| 216 | K | 97.9 | Very high | 96.4 | Very high | 58 Ų | 58 | 24.1 Ų | 24.1 | 25% | 0.252 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -67.1 | -36 | 175.7 | -70.2 | 165.1 | 80.3 | -166.2 | 0 | 112.1 | Y152 L212 L213 S214 K220 L272 | Y152-K216 HydrophobicContact CD2-CB 3.54Å; Y152-K216 HydrophobicContact CE2-CB 3.52Å; Y152-K216 HydrophobicContact CE2-CD 4.26Å; Y152-K216 HydrophobicContact CE2-CG 4.31Å; Y152-K216 HydrophobicContact CG-CB 4.43Å; Y152-K216 VanDerWaalsContact CZ-NZ 3.3Å; Y152-K216 WeakPolarHBondContact OH-CE 3.39Å; Y152-K216 PolarHBondContact OH-NZ 3.47Å; L212-K216 HydrophobicContact CD1-CD 4.16Å; L212-K216 HydrophobicContact CD1-CG 4.41Å; L212-K216 HydrophobicContact CG-CD 4.07Å; L212-K216 WeakPolarHBondContact O-CD 3.19Å; L212-K216 WeakPolarHBondContact O-CG 3.41Å; L212-K216 PolarHBondContact O-N 3.36Å; L213-K216 WeakPolarHBondContact O-CB 3.46Å; L213-K216 PolarHBondContact O-N 3.44Å; S214-K216 VanDerWaalsContact C-N 3.32Å; S214-K216 PolarHBondContact O-N 3.5Å; K216-K220 WeakPolarHBondContact O-CG 3.39Å; K216-K220 PolarHBondContact O-N 2.92Å; K216-L272 HydrophobicContact CB-CD2 4.38Å; K216-L272 HydrophobicContact CD-CD2 4.39Å; K216-L272 HydrophobicContact CG-CD2 3.37Å |
| 217 | V | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.2 | -56.7 | 171.5 | 169.4 | 0 | 0 | 0 | 0 | 109.4 | F151 Y152 T155 A181 L213 S214 R219 K220 L221 | F151-V217 HydrophobicContact CD1-CG1 4.15Å; F151-V217 HydrophobicContact CD1-CG2 3.92Å; F151-V217 HydrophobicContact CE1-CG1 3.66Å; F151-V217 HydrophobicContact CE1-CG2 4.29Å; F151-V217 HydrophobicContact CZ-CG1 4.33Å; Y152-V217 HydrophobicContact CD2-CG2 4.5Å; T155-V217 HydrophobicContact CG2-CG1 4.33Å; A181-V217 HydrophobicContact CB-CG1 4.44Å; L213-V217 WeakPolarHBondContact O-CG2 3.41Å; L213-V217 PolarHBondContact O-N 3.09Å; S214-V217 WeakPolarHBondContact O-CB 3.25Å; S214-V217 PolarHBondContact O-N 2.87Å; V217-R219 VanDerWaalsContact C-N 3.31Å; V217-R219 PolarHBondContact O-N 3.04Å; V217-K220 WeakPolarHBondContact O-CA 3.29Å; V217-K220 WeakPolarHBondContact O-CB 3.37Å; V217-K220 PolarHBondContact O-N 3.28Å; V217-L221 HydrophobicContact CG1-CD1 3.89Å; V217-L221 HydrophobicContact CG1-CG 4.16Å; V217-L221 WeakPolarHBondContact O-CG 3.38Å; V217-L221 PolarHBondContact O-N 2.99Å |
| 218 | L | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54 | -47.5 | -178.7 | -79.3 | 167.9 | 0 | 0 | 0 | 111.8 | Y178 A181 C182 W185 S214 L215 K220 L221 T222 F238 | Y178-L218 HydrophobicContact CD2-CD2 4.4Å; Y178-L218 HydrophobicContact CE2-CD2 4.1Å; A181-L218 HydrophobicContact CB-CD2 3.61Å; A181-L218 HydrophobicContact CB-CG 4.03Å; C182-L218 VanDerWaalsContact SG-CD2 3.51Å; W185-L218 HydrophobicContact CB-CD1 3.44Å; W185-L218 VanDerWaalsContact CB-CD1 3.44Å; W185-L218 HydrophobicContact CD2-CD1 4.18Å; W185-L218 HydrophobicContact CE3-CD1 4.39Å; W185-L218 HydrophobicContact CG-CD1 3.78Å; S214-L218 PolarHBondContact O-N 3.19Å; L215-L218 PolarHBondContact O-N 3.18Å; L218-K220 PolarHBondContact O-N 3.02Å; L218-K220 VanDerWaalsContact O-N 3.13Å; L218-L221 CarbonylContact O-C 3.56Å; L218-L221 PolarHBondContact O-N 3.13Å; L218-T222 PolarHBondContact O-N 3.44Å; L218-T222 PolarHBondContact O-OG1 3.48Å; L218-F238 HydrophobicContact CB-CE1 4.17Å; L218-F238 HydrophobicContact CB-CE2 4.02Å; L218-F238 HydrophobicContact CB-CZ 3.68Å; L218-F238 HydrophobicContact CD1-CD2 3.84Å; L218-F238 HydrophobicContact CD1-CE2 3.42Å; L218-F238 VanDerWaalsContact CD1-CE2 3.42Å; L218-F238 HydrophobicContact CD1-CZ 4Å; L218-F238 HydrophobicContact CG-CE2 4.24Å; L218-F238 HydrophobicContact CG-CZ 4.39Å |
| 219 | R | 96.6 | Very high | 95.5 | Very high | 51 Ų | 51 | 32.3 Ų | 32.3 | 19% | 0.192 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.1 | -38.3 | 175.3 | -174.8 | 173.7 | 175.8 | -107.4 | 6.7 | 113 | L215 V217 V223 K275 V276 | L215-R219 WeakPolarHBondContact O-CB 3.27Å; L215-R219 PolarHBondContact O-N 2.91Å; V217-R219 VanDerWaalsContact C-N 3.31Å; V217-R219 PolarHBondContact O-N 3.04Å; R219-V223 HydrophobicContact CG-CG2 4.41Å; R219-V223 WeakPolarHBondContact O-CB 3.36Å; R219-V223 WeakPolarHBondContact O-CG2 3.41Å; R219-V223 PolarHBondContact O-N 2.79Å; R219-V223 VanDerWaalsContact O-N 3.16Å; R219-K275 PolarHBondContact NE-O 3.29Å; R219-V276 HydrophobicContact CB-CG2 3.84Å; R219-V276 HydrophobicContact CG-CG2 3.88Å |
| 220 | K | 96.7 | Very high | 95.1 | Very high | 47 Ų | 47 | 35 Ų | 35 | 20% | 0.204 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.9 | -41 | 177.7 | -72.1 | -66.3 | -178.2 | -179.8 | 0 | 111.9 | T155 A159 K216 V217 L218 H224 | T155-K220 HydrophobicContact CG2-CB 3.9Å; A159-K220 HydrophobicContact CB-CB 4.38Å; A159-K220 HydrophobicContact CB-CD 4.17Å; K216-K220 WeakPolarHBondContact O-CG 3.39Å; K216-K220 PolarHBondContact O-N 2.92Å; V217-K220 WeakPolarHBondContact O-CA 3.29Å; V217-K220 WeakPolarHBondContact O-CB 3.37Å; V217-K220 PolarHBondContact O-N 3.28Å; L218-K220 PolarHBondContact O-N 3.02Å; L218-K220 VanDerWaalsContact O-N 3.13Å; K220-H224 WeakPolarHBondContact O-CB 3.41Å; K220-H224 PolarHBondContact O-N 3.15Å |
| 221 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -48.5 | 175.5 | -57.4 | -179.6 | 0 | 0 | 0 | 111 | T155 F170 A174 I177 Y178 A181 V217 L218 V223 G225 F226 | T155-L221 HydrophobicContact CG2-CD2 3.69Å; T155-L221 HydrophobicContact CG2-CG 4.3Å; F170-L221 HydrophobicContact CE1-CD2 4.46Å; F170-L221 HydrophobicContact CE2-CD2 4.45Å; F170-L221 HydrophobicContact CZ-CD2 3.86Å; A174-L221 HydrophobicContact CB-CB 4.27Å; A174-L221 HydrophobicContact CB-CD2 3.95Å; I177-L221 HydrophobicContact CD1-CD1 3.86Å; I177-L221 HydrophobicContact CD1-CD2 3.78Å; I177-L221 HydrophobicContact CD1-CG 4.48Å; I177-L221 HydrophobicContact CG1-CD1 3.79Å; I177-L221 HydrophobicContact CG1-CD2 4.34Å; Y178-L221 HydrophobicContact CD2-CB 3.78Å; Y178-L221 HydrophobicContact CD2-CD1 4.2Å; Y178-L221 HydrophobicContact CE2-CB 3.92Å; A181-L221 HydrophobicContact CB-CD1 3.99Å; V217-L221 HydrophobicContact CG1-CD1 3.89Å; V217-L221 HydrophobicContact CG1-CG 4.16Å; V217-L221 WeakPolarHBondContact O-CG 3.38Å; V217-L221 PolarHBondContact O-N 2.99Å; L218-L221 CarbonylContact O-C 3.56Å; L218-L221 PolarHBondContact O-N 3.13Å; L221-V223 PolarHBondContact O-N 2.92Å; L221-G225 WeakPolarHBondContact O-CA 3.49Å; L221-G225 PolarHBondContact O-N 2.83Å; L221-F226 WeakPolarHBondContact O-CD2 3.48Å |
| 222 | T | 95.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 179 | -48.7 | 0 | 0 | 0 | 0 | 112.1 | Y178 L218 P229 V235 | Y178-T222 PolarHBondContact OH-OG1 2.87Å; L218-T222 PolarHBondContact O-N 3.44Å; L218-T222 PolarHBondContact O-OG1 3.48Å; T222-P229 HydrophobicContact CG2-CB 4.46Å; T222-V235 HydrophobicContact CG2-CG1 3.63Å |
| 223 | V | 93.8 | Very high | 94.4 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 34% | 0.339 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -77.7 | -32.3 | -173 | 173.4 | 0 | 0 | 0 | 0 | 113.1 | R219 L221 | R219-V223 HydrophobicContact CG-CG2 4.41Å; R219-V223 WeakPolarHBondContact O-CB 3.36Å; R219-V223 WeakPolarHBondContact O-CG2 3.41Å; R219-V223 PolarHBondContact O-N 2.79Å; R219-V223 VanDerWaalsContact O-N 3.16Å; L221-V223 PolarHBondContact O-N 2.92Å |
| 224 | H | 94.9 | Very high | 94.2 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 34% | 0.338 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -116.9 | -14.6 | -171.7 | -59.2 | -69 | 0 | 0 | 0 | 113.8 | A159 F170 K220 | A159-H224 HydrophobicContact CB-CB 4.1Å; F170-H224 HydrophobicContact CD1-CB 3.92Å; F170-H224 WeakPolarHBondContact CD1-O 3.5Å; F170-H224 HydrophobicContact CE1-CB 3.56Å; F170-H224 HydrophobicContact CZ-CB 4.45Å; K220-H224 WeakPolarHBondContact O-CB 3.41Å; K220-H224 PolarHBondContact O-N 3.15Å |
| 225 | G | 95.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -96.7 | -11.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q171 L221 | Q171-G225 WeakPolarHBondContact CG-O 3.48Å; L221-G225 WeakPolarHBondContact O-CA 3.49Å; L221-G225 PolarHBondContact O-N 2.83Å |
| 226 | F | 94.3 | Very high | 93.9 | Very high | 30 Ų | 30 | 57 Ų | 57 | 13% | 0.132 | 28% | 0.276 | C | S | . | . | trans | -128.9 | 134.8 | 178.7 | -59.2 | -89.5 | 0 | 0 | 0 | 109.8 | A174 Y178 L221 P229 N232 V235 | A174-F226 HydrophobicContact CB-CE2 4.36Å; Y178-F226 AromaticContact CD2-CE2 3.42Å; Y178-F226 HydrophobicContact CD2-CE2 3.42Å; Y178-F226 VanDerWaalsContact CD2-CE2 3.42Å; Y178-F226 AromaticContact CD2-CZ 3.78Å; Y178-F226 HydrophobicContact CD2-CZ 3.78Å; Y178-F226 HydrophobicContact CE2-CD2 4.5Å; Y178-F226 AromaticContact CE2-CE2 3.65Å; Y178-F226 HydrophobicContact CE2-CE2 3.65Å; Y178-F226 HydrophobicContact CE2-CZ 4.32Å; Y178-F226 HydrophobicContact CG-CE2 4.02Å; Y178-F226 AromaticContact CG-CZ 3.89Å; Y178-F226 HydrophobicContact CG-CZ 3.89Å; L221-F226 WeakPolarHBondContact O-CD2 3.48Å; F226-P229 HydrophobicContact CB-CG 4.21Å; F226-N232 HydrophobicContact CD1-CB 4.22Å; F226-N232 HydrophobicContact CE1-CB 4.46Å; F226-N232 WeakPolarHBondContact CE1-ND2 3.37Å; F226-V235 HydrophobicContact CD1-CG2 4.19Å; F226-V235 HydrophobicContact CD2-CG2 3.77Å; F226-V235 HydrophobicContact CE1-CG2 4.15Å; F226-V235 HydrophobicContact CE2-CG2 3.73Å; F226-V235 HydrophobicContact CG-CG2 4.01Å; F226-V235 HydrophobicContact CZ-CG2 3.92Å | ||
| 227 | Q | 89.1 | Confident | 93.8 | Very high | 150 Ų | 150 | 56.2 Ų | 56.2 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -71.8 | -48.3 | 175 | -67.7 | -175.3 | -3.3 | 0 | 0 | 110.3 | P229 | Q227-P229 VanDerWaalsContact O-CD 3.31Å; Q227-P229 WeakPolarHBondContact O-CD 3.47Å |
| 228 | D | 89 | Confident | 93.7 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -120.3 | 79.9 | 178 | -58.8 | -69.2 | 0 | 0 | 0 | 110.5 | Q230 Q231 | D228-Q230 PolarHBondContact O-N 3.28Å; D228-Q231 HydrophobicContact CB-CB 4.31Å; D228-Q231 HydrophobicContact CB-CG 4.01Å; D228-Q231 PolarHBondContact O-N 3.06Å |
| 229 | P | 88.4 | Confident | 93.5 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -49.8 | -33.9 | 179.8 | -31 | 36.6 | 0 | 0 | 0 | 114.1 | T222 F226 Q227 Q231 N232 V235 | T222-P229 HydrophobicContact CG2-CB 4.46Å; F226-P229 HydrophobicContact CB-CG 4.21Å; Q227-P229 VanDerWaalsContact O-CD 3.31Å; Q227-P229 WeakPolarHBondContact O-CD 3.47Å; P229-Q231 VanDerWaalsContact C-N 3.28Å; P229-Q231 PolarHBondContact O-N 3.14Å; P229-N232 PolarHBondContact O-N 3.16Å; P229-V235 HydrophobicContact CB-CG1 3.84Å; P229-V235 WeakPolarHBondContact O-CB 3.16Å; P229-V235 WeakPolarHBondContact O-CG1 3.17Å |
| 230 | Q | 87.4 | Confident | 93.4 | Very high | 86 Ų | 86 | 58.5 Ų | 58.5 | 40% | 0.402 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -68.7 | -25.8 | -176.9 | -52.3 | -176.7 | 21.6 | 0 | 0 | 113.6 | D228 N232 M236 N281 L282 | D228-Q230 PolarHBondContact O-N 3.28Å; Q230-N232 VanDerWaalsContact C-N 3.34Å; Q230-M236 HydrophobicContact CB-SD 4.46Å; Q230-M236 WeakPolarHBondContact O-CG 3.41Å; Q230-N281 PolarHBondContact NE2-O 3.45Å; Q230-L282 HydrophobicContact CG-CD2 3.77Å |
| 231 | Q | 90.6 | Very high | 93.4 | Very high | 156 Ų | 156 | 57.3 Ų | 57.3 | 73% | 0.729 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -85.5 | -12.4 | -179.9 | -62.3 | -175.9 | 13.1 | 0 | 0 | 112.1 | D228 P229 | D228-Q231 HydrophobicContact CB-CB 4.31Å; D228-Q231 HydrophobicContact CB-CG 4.01Å; D228-Q231 PolarHBondContact O-N 3.06Å; P229-Q231 VanDerWaalsContact C-N 3.28Å; P229-Q231 PolarHBondContact O-N 3.14Å |
| 232 | N | 93.4 | Very high | 93.3 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | trans | -92.3 | 118.5 | 179.6 | -174.6 | -72.8 | 0 | 0 | 0 | 110.8 | F226 P229 Q230 E234 V235 M236 | F226-N232 HydrophobicContact CD1-CB 4.22Å; F226-N232 HydrophobicContact CE1-CB 4.46Å; F226-N232 WeakPolarHBondContact CE1-ND2 3.37Å; P229-N232 PolarHBondContact O-N 3.16Å; Q230-N232 VanDerWaalsContact C-N 3.34Å; N232-E234 PolarHBondContact O-N 2.66Å; N232-E234 WeakPolarHBondContact OD1-CB 3.41Å; N232-E234 PolarHBondContact OD1-N 2.98Å; N232-V235 HydrophobicContact CB-CB 4.01Å; N232-V235 HydrophobicContact CB-CG2 3.84Å; N232-V235 PolarHBondContact O-N 3.35Å; N232-V235 WeakPolarHBondContact OD1-CG2 3.33Å; N232-V235 PolarHBondContact OD1-N 3.49Å; N232-M236 PolarHBondContact O-N 3.43Å | ||
| 233 | M | 93.1 | Very high | 93 | Very high | 170 Ų | 170 | 61.8 Ų | 61.8 | 84% | 0.837 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.3 | -38.4 | -176.9 | -66.2 | -170.8 | -65.3 | 0 | 0 | 113.2 | M236 G237 | M233-M236 PolarHBondContact O-N 3.42Å; M233-G237 PolarHBondContact O-N 3.28Å |
| 234 | E | 93 | Very high | 93 | Very high | 94 Ų | 94 | 65 Ų | 65 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 178.6 | -59.7 | -170.9 | 168.4 | 0 | 0 | 111.1 | Y178 N232 G237 F238 | Y178-E234 HydrophobicContact CD1-CB 3.9Å; Y178-E234 HydrophobicContact CE1-CB 4.2Å; N232-E234 PolarHBondContact O-N 2.66Å; N232-E234 WeakPolarHBondContact OD1-CB 3.41Å; N232-E234 PolarHBondContact OD1-N 2.98Å; E234-G237 PolarHBondContact O-N 3.13Å; E234-F238 WeakPolarHBondContact O-CB 3.49Å; E234-F238 PolarHBondContact O-N 3.09Å |
| 235 | V | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 176.3 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | Y178 T222 F226 P229 N232 F238 L239 | Y178-V235 HydrophobicContact CD1-CG2 4.41Å; Y178-V235 HydrophobicContact CE1-CB 4.33Å; Y178-V235 HydrophobicContact CE1-CG2 3.79Å; Y178-V235 HydrophobicContact CE2-CG2 4.12Å; T222-V235 HydrophobicContact CG2-CG1 3.63Å; F226-V235 HydrophobicContact CD1-CG2 4.19Å; F226-V235 HydrophobicContact CD2-CG2 3.77Å; F226-V235 HydrophobicContact CE1-CG2 4.15Å; F226-V235 HydrophobicContact CE2-CG2 3.73Å; F226-V235 HydrophobicContact CG-CG2 4.01Å; F226-V235 HydrophobicContact CZ-CG2 3.92Å; P229-V235 HydrophobicContact CB-CG1 3.84Å; P229-V235 WeakPolarHBondContact O-CB 3.16Å; P229-V235 WeakPolarHBondContact O-CG1 3.17Å; N232-V235 HydrophobicContact CB-CB 4.01Å; N232-V235 HydrophobicContact CB-CG2 3.84Å; N232-V235 PolarHBondContact O-N 3.35Å; N232-V235 WeakPolarHBondContact OD1-CG2 3.33Å; N232-V235 PolarHBondContact OD1-N 3.49Å; V235-F238 WeakPolarHBondContact O-CB 3.48Å; V235-F238 PolarHBondContact O-N 3.35Å; V235-L239 HydrophobicContact CG1-CD1 4.13Å; V235-L239 HydrophobicContact CG1-CG 4.38Å; V235-L239 WeakPolarHBondContact O-CG 3.35Å; V235-L239 PolarHBondContact O-N 3.31Å |
| 236 | M | 94.5 | Very high | 92.9 | Very high | 56 Ų | 56 | 64.7 Ų | 64.7 | 28% | 0.276 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 177.7 | -71.3 | -56.8 | -67.6 | 0 | 0 | 112.2 | Q230 N232 M233 F238 L239 N240 | Q230-M236 HydrophobicContact CB-SD 4.46Å; Q230-M236 WeakPolarHBondContact O-CG 3.41Å; N232-M236 PolarHBondContact O-N 3.43Å; M233-M236 PolarHBondContact O-N 3.42Å; M236-F238 VanDerWaalsContact C-N 3.35Å; M236-F238 PolarHBondContact O-N 3.32Å; M236-L239 PolarHBondContact O-N 3.45Å; M236-L239 HydrophobicContact SD-CD1 4.04Å; M236-N240 WeakPolarHBondContact O-CB 3.31Å; M236-N240 VanDerWaalsContact O-CG 3.31Å; M236-N240 PolarHBondContact O-N 2.92Å; M236-N240 PolarHBondContact O-ND2 2.87Å |
| 237 | G | 95.2 | Very high | 92.8 | Very high | 41 Ų | 41 | 70.1 Ų | 70.1 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M233 E234 N240 A241 | M233-G237 PolarHBondContact O-N 3.28Å; E234-G237 PolarHBondContact O-N 3.13Å; G237-N240 PolarHBondContact O-N 2.7Å; G237-A241 WeakPolarHBondContact O-CB 3.46Å; G237-A241 PolarHBondContact O-N 3.28Å |
| 238 | F | 96.5 | Very high | 93 | Very high | 6 Ų | 6 | 66.4 Ų | 66.4 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 174.3 | 164.1 | -108.1 | 0 | 0 | 0 | 112.8 | Y178 W185 L215 L218 E234 V235 M236 N240 A241 V242 V276 | Y178-F238 HydrophobicContact CE1-CB 4.23Å; Y178-F238 WeakPolarHBondContact OH-CD1 3.44Å; W185-F238 HydrophobicContact CD2-CE2 4.15Å; W185-F238 AromaticContact CE3-CD2 3.99Å; W185-F238 HydrophobicContact CE3-CD2 3.99Å; W185-F238 AromaticContact CE3-CE2 3.99Å; W185-F238 HydrophobicContact CE3-CE2 3.99Å; W185-F238 HydrophobicContact CH2-CE2 4.44Å; W185-F238 AromaticContact CZ3-CD2 3.98Å; W185-F238 HydrophobicContact CZ3-CD2 3.98Å; W185-F238 HydrophobicContact CZ3-CE2 4.13Å; L215-F238 HydrophobicContact CD1-CE2 4.15Å; L215-F238 HydrophobicContact CD1-CZ 3.84Å; L218-F238 HydrophobicContact CB-CE1 4.17Å; L218-F238 HydrophobicContact CB-CE2 4.02Å; L218-F238 HydrophobicContact CB-CZ 3.68Å; L218-F238 HydrophobicContact CD1-CD2 3.84Å; L218-F238 HydrophobicContact CD1-CE2 3.42Å; L218-F238 VanDerWaalsContact CD1-CE2 3.42Å; L218-F238 HydrophobicContact CD1-CZ 4Å; L218-F238 HydrophobicContact CG-CE2 4.24Å; L218-F238 HydrophobicContact CG-CZ 4.39Å; E234-F238 WeakPolarHBondContact O-CB 3.49Å; E234-F238 PolarHBondContact O-N 3.09Å; V235-F238 WeakPolarHBondContact O-CB 3.48Å; V235-F238 PolarHBondContact O-N 3.35Å; M236-F238 VanDerWaalsContact C-N 3.35Å; M236-F238 PolarHBondContact O-N 3.32Å; F238-N240 VanDerWaalsContact C-N 3.34Å; F238-N240 PolarHBondContact O-N 2.78Å; F238-A241 PolarHBondContact O-N 3.22Å; F238-V242 HydrophobicContact CD2-CG2 3.97Å; F238-V242 HydrophobicContact CE1-CG2 4.15Å; F238-V242 HydrophobicContact CE2-CG2 3.35Å; F238-V242 HydrophobicContact CZ-CG2 3.48Å; F238-V242 VanDerWaalsContact CZ-CG2 3.48Å; F238-V242 WeakPolarHBondContact O-CG2 3.46Å; F238-V242 PolarHBondContact O-N 3.1Å; F238-V276 HydrophobicContact CE1-CG1 3.73Å; F238-V276 HydrophobicContact CZ-CG1 3.99Å |
| 239 | L | 94.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -43 | -179.7 | -70.1 | 177 | 0 | 0 | 0 | 111.4 | V235 M236 V242 F243 V276 P280 | V235-L239 HydrophobicContact CG1-CD1 4.13Å; V235-L239 HydrophobicContact CG1-CG 4.38Å; V235-L239 WeakPolarHBondContact O-CG 3.35Å; V235-L239 PolarHBondContact O-N 3.31Å; M236-L239 PolarHBondContact O-N 3.45Å; M236-L239 HydrophobicContact SD-CD1 4.04Å; L239-V242 WeakPolarHBondContact O-CB 3.44Å; L239-V242 PolarHBondContact O-N 3.44Å; L239-F243 VanDerWaalsContact O-CD2 3.26Å; L239-F243 WeakPolarHBondContact O-CD2 3.46Å; L239-F243 PolarHBondContact O-N 3.04Å; L239-V276 HydrophobicContact CD2-CG1 3.75Å; L239-P280 HydrophobicContact CD1-CG 3.98Å; L239-P280 HydrophobicContact CD2-CG 4.33Å |
| 240 | N | 93.9 | Very high | 93.5 | Very high | 90 Ų | 90 | 65.1 Ų | 65.1 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 174.7 | -70.7 | -21.2 | 0 | 0 | 0 | 111.7 | M236 G237 F238 V242 F243 E244 | M236-N240 WeakPolarHBondContact O-CB 3.31Å; M236-N240 VanDerWaalsContact O-CG 3.31Å; M236-N240 PolarHBondContact O-N 2.92Å; M236-N240 PolarHBondContact O-ND2 2.87Å; G237-N240 PolarHBondContact O-N 2.7Å; F238-N240 VanDerWaalsContact C-N 3.34Å; F238-N240 PolarHBondContact O-N 2.78Å; N240-V242 VanDerWaalsContact C-N 3.3Å; N240-V242 PolarHBondContact O-N 3.49Å; N240-F243 WeakPolarHBondContact O-CB 3.28Å; N240-F243 PolarHBondContact O-N 3.37Å; N240-F243 VanDerWaalsContact O-N 3.12Å; N240-E244 PolarHBondContact O-N 3.15Å |
| 241 | A | 95.7 | Very high | 93.7 | Very high | 23 Ų | 23 | 66.2 Ų | 66.2 | 19% | 0.19 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | W185 G237 F238 F243 E244 R245 | W185-A241 HydrophobicContact CH2-CB 4.01Å; W185-A241 HydrophobicContact CZ3-CB 3.89Å; G237-A241 WeakPolarHBondContact O-CB 3.46Å; G237-A241 PolarHBondContact O-N 3.28Å; F238-A241 PolarHBondContact O-N 3.22Å; A241-F243 VanDerWaalsContact C-N 3.3Å; A241-F243 PolarHBondContact O-N 3.44Å; A241-E244 PolarHBondContact O-N 3.45Å; A241-R245 VanDerWaalsContact O-CG 3.28Å; A241-R245 WeakPolarHBondContact O-CG 3.4Å; A241-R245 PolarHBondContact O-N 2.89Å |
| 242 | V | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.5 | -41 | 175.8 | 162 | 0 | 0 | 0 | 0 | 112.1 | W185 L215 F238 L239 N240 E244 R245 L246 Y273 V276 V277 | W185-V242 HydrophobicContact CH2-CG2 3.89Å; W185-V242 HydrophobicContact CZ2-CG2 3.95Å; L215-V242 HydrophobicContact CD1-CG2 4.25Å; F238-V242 HydrophobicContact CD2-CG2 3.97Å; F238-V242 HydrophobicContact CE1-CG2 4.15Å; F238-V242 HydrophobicContact CE2-CG2 3.35Å; F238-V242 HydrophobicContact CZ-CG2 3.48Å; F238-V242 VanDerWaalsContact CZ-CG2 3.48Å; F238-V242 WeakPolarHBondContact O-CG2 3.46Å; F238-V242 PolarHBondContact O-N 3.1Å; L239-V242 WeakPolarHBondContact O-CB 3.44Å; L239-V242 PolarHBondContact O-N 3.44Å; N240-V242 VanDerWaalsContact C-N 3.3Å; N240-V242 PolarHBondContact O-N 3.49Å; V242-E244 VanDerWaalsContact C-N 3.35Å; V242-E244 PolarHBondContact O-N 2.93Å; V242-R245 PolarHBondContact O-N 3.36Å; V242-L246 WeakPolarHBondContact O-CB 3.34Å; V242-L246 PolarHBondContact O-N 3.02Å; V242-Y273 HydrophobicContact CB-CD1 4.24Å; V242-Y273 HydrophobicContact CG1-CD1 3.48Å; V242-Y273 VanDerWaalsContact CG1-CD1 3.48Å; V242-Y273 HydrophobicContact CG1-CE1 4.25Å; V242-Y273 HydrophobicContact CG1-CG 4.12Å; V242-Y273 HydrophobicContact CG2-CD1 4.07Å; V242-Y273 HydrophobicContact CG2-CE1 4.12Å; V242-V276 HydrophobicContact CG1-CB 4.41Å; V242-V276 HydrophobicContact CG1-CG1 4.24Å; V242-V276 HydrophobicContact CG2-CG1 4.28Å; V242-V277 HydrophobicContact CG1-CG2 3.71Å |
| 243 | F | 91.5 | Very high | 93.4 | Very high | 99 Ų | 99 | 57.8 Ų | 57.8 | 43% | 0.434 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 175.9 | -86.1 | -77.3 | 0 | 0 | 0 | 112.6 | L239 N240 A241 V277 | L239-F243 VanDerWaalsContact O-CD2 3.26Å; L239-F243 WeakPolarHBondContact O-CD2 3.46Å; L239-F243 PolarHBondContact O-N 3.04Å; N240-F243 WeakPolarHBondContact O-CB 3.28Å; N240-F243 PolarHBondContact O-N 3.37Å; N240-F243 VanDerWaalsContact O-N 3.12Å; A241-F243 VanDerWaalsContact C-N 3.3Å; A241-F243 PolarHBondContact O-N 3.44Å; F243-V277 HydrophobicContact CD1-CG1 4.26Å; F243-V277 HydrophobicContact CD1-CG2 4.13Å; F243-V277 HydrophobicContact CD2-CG2 3.94Å; F243-V277 HydrophobicContact CE1-CB 4.33Å; F243-V277 HydrophobicContact CE1-CG1 3.37Å; F243-V277 HydrophobicContact CE1-CG2 4.04Å; F243-V277 HydrophobicContact CE2-CB 4.32Å; F243-V277 HydrophobicContact CE2-CG1 3.69Å; F243-V277 HydrophobicContact CE2-CG2 3.82Å; F243-V277 HydrophobicContact CG-CG2 4.12Å; F243-V277 HydrophobicContact CZ-CB 4.07Å; F243-V277 HydrophobicContact CZ-CG1 3.04Å; F243-V277 HydrophobicContact CZ-CG2 3.92Å |
| 244 | E | 92.5 | Very high | 93 | Very high | 125 Ų | 125 | 60 Ų | 60 | 58% | 0.584 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.3 | -47.1 | 176.8 | -66.6 | 176.5 | 175.1 | 0 | 0 | 111.2 | N240 A241 V242 L246 K247 Q248 | N240-E244 PolarHBondContact O-N 3.15Å; A241-E244 PolarHBondContact O-N 3.45Å; V242-E244 VanDerWaalsContact C-N 3.35Å; V242-E244 PolarHBondContact O-N 2.93Å; E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 3.39Å; E244-K247 WeakPolarHBondContact O-CB 3.42Å; E244-K247 PolarHBondContact O-N 2.94Å; E244-Q248 PolarHBondContact O-N 3.38Å |
| 245 | R | 94.5 | Very high | 92.6 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -32.3 | 179.3 | -62.1 | -46 | 179.7 | 153.5 | 7.2 | 112.8 | W185 T189 D190 A241 V242 K247 Q248 F249 Y273 | W185-R245 HydrophobicContact CH2-CB 4.3Å; W185-R245 HydrophobicContact CH2-CG 3.62Å; W185-R245 HydrophobicContact CZ2-CB 4.12Å; W185-R245 HydrophobicContact CZ2-CG 3.81Å; T189-R245 HydrophobicContact CG2-CB 4.47Å; T189-R245 HydrophobicContact CG2-CG 4.08Å; D190-R245 IonicContact OD1-CZ 3.11Å; D190-R245 IonicContact OD1-NH1 2.78Å; D190-R245 PolarHBondContact OD1-NH1 3.17Å; D190-R245 IonicContact OD1-NH2 2.7Å; D190-R245 PolarHBondContact OD1-NH2 3.38Å; D190-R245 IonicContact OD2-NH2 3.39Å; D190-R245 PolarHBondContact OD2-NH2 3.49Å; A241-R245 VanDerWaalsContact O-CG 3.28Å; A241-R245 WeakPolarHBondContact O-CG 3.4Å; A241-R245 PolarHBondContact O-N 2.89Å; V242-R245 PolarHBondContact O-N 3.36Å; R245-K247 VanDerWaalsContact C-N 3.27Å; R245-K247 PolarHBondContact O-N 3.23Å; R245-Q248 PolarHBondContact O-N 3.3Å; R245-F249 VanDerWaalsContact O-CD2 3.26Å; R245-F249 WeakPolarHBondContact O-CD2 3.47Å; R245-F249 PolarHBondContact O-N 2.97Å; R245-Y273 HydrophobicContact CB-CE2 4.46Å |
| 246 | L | 94.1 | Very high | 92.1 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.3 | -41 | 174.7 | 175 | 61.3 | 0 | 0 | 0 | 111.8 | V242 E244 F249 L250 I270 Y273 T274 | V242-L246 WeakPolarHBondContact O-CB 3.34Å; V242-L246 PolarHBondContact O-N 3.02Å; E244-L246 VanDerWaalsContact C-N 3.3Å; E244-L246 PolarHBondContact O-N 3.39Å; L246-F249 PolarHBondContact O-N 3.21Å; L246-L250 HydrophobicContact CD1-CD1 4.26Å; L246-L250 HydrophobicContact CD1-CG 4.29Å; L246-L250 HydrophobicContact CG-CD1 4.19Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.27Å; L246-L250 PolarHBondContact O-N 3.35Å; L246-I270 HydrophobicContact CD1-CG2 3.88Å; L246-Y273 HydrophobicContact CB-CD2 4.49Å; L246-Y273 HydrophobicContact CD1-CD2 4.37Å; L246-T274 HydrophobicContact CD1-CG2 4.46Å; L246-T274 HydrophobicContact CD2-CG2 4.31Å |
| 247 | K | 92.4 | Very high | 91.4 | Very high | 144 Ų | 144 | 62.2 Ų | 62.2 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.4 | -48.1 | 177.6 | -62.7 | 177.6 | -176.3 | 174.8 | 0 | 111.2 | E244 R245 F249 L250 E251 | E244-K247 WeakPolarHBondContact O-CB 3.42Å; E244-K247 PolarHBondContact O-N 2.94Å; R245-K247 VanDerWaalsContact C-N 3.27Å; R245-K247 PolarHBondContact O-N 3.23Å; K247-F249 VanDerWaalsContact C-N 3.3Å; K247-F249 PolarHBondContact O-N 2.97Å; K247-L250 PolarHBondContact O-N 2.89Å; K247-E251 PolarHBondContact O-N 3.17Å |
| 248 | Q | 93.9 | Very high | 90.7 | Very high | 71 Ų | 71 | 65.2 Ų | 65.2 | 33% | 0.332 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 177.2 | -64.7 | 177.1 | -30.9 | 0 | 0 | 111.7 | L193 E244 R245 E251 C252 | L193-Q248 HydrophobicContact CD1-CB 4.35Å; L193-Q248 HydrophobicContact CD2-CB 4.21Å; E244-Q248 PolarHBondContact O-N 3.38Å; R245-Q248 PolarHBondContact O-N 3.3Å; Q248-E251 WeakPolarHBondContact O-CB 3.48Å; Q248-E251 PolarHBondContact O-N 3.19Å; Q248-C252 PolarHBondContact O-N 3.29Å; Q248-C252 PolarHBondContact O-SG 3.36Å; Q248-C252 VanDerWaalsContact O-SG 3.37Å |
| 249 | F | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.9 | -36.8 | 178.8 | -88.1 | -123.1 | 0 | 0 | 0 | 112.6 | T189 F192 L193 L208 T211 R245 L246 K247 E251 C252 C253 L266 T269 I270 Y273 | T189-F249 HydrophobicContact CG2-CE2 3.62Å; T189-F249 HydrophobicContact CG2-CZ 4.05Å; F192-F249 AromaticContact CD1-CE1 3.99Å; F192-F249 HydrophobicContact CD1-CE1 3.99Å; F192-F249 AromaticContact CD1-CE2 3.85Å; F192-F249 HydrophobicContact CD1-CE2 3.85Å; F192-F249 AromaticContact CD1-CZ 3.39Å; F192-F249 HydrophobicContact CD1-CZ 3.39Å; F192-F249 HydrophobicContact CE1-CD1 4.34Å; F192-F249 AromaticContact CE1-CE1 3.77Å; F192-F249 HydrophobicContact CE1-CE1 3.77Å; F192-F249 HydrophobicContact CE1-CE2 4.04Å; F192-F249 AromaticContact CE1-CZ 3.61Å; F192-F249 HydrophobicContact CE1-CZ 3.61Å; F192-F249 HydrophobicContact CG-CZ 4.45Å; L193-F249 HydrophobicContact CD2-CD2 4.28Å; L193-F249 HydrophobicContact CD2-CE2 4.1Å; L193-F249 HydrophobicContact CG-CE2 4.44Å; L208-F249 HydrophobicContact CD1-CE1 3.82Å; L208-F249 HydrophobicContact CD1-CZ 4.45Å; T211-F249 HydrophobicContact CG2-CZ 4.1Å; R245-F249 VanDerWaalsContact O-CD2 3.26Å; R245-F249 WeakPolarHBondContact O-CD2 3.47Å; R245-F249 PolarHBondContact O-N 2.97Å; L246-F249 PolarHBondContact O-N 3.21Å; K247-F249 VanDerWaalsContact C-N 3.3Å; K247-F249 PolarHBondContact O-N 2.97Å; F249-E251 VanDerWaalsContact C-N 3.31Å; F249-C252 PolarHBondContact O-N 2.89Å; F249-C253 WeakPolarHBondContact O-CB 3.28Å; F249-C253 PolarHBondContact O-N 3.27Å; F249-L266 HydrophobicContact CB-CD1 4.38Å; F249-L266 HydrophobicContact CD1-CD1 3.33Å; F249-L266 HydrophobicContact CE1-CD1 3.78Å; F249-L266 HydrophobicContact CG-CD1 4.1Å; F249-T269 HydrophobicContact CD1-CG2 3.88Å; F249-T269 HydrophobicContact CE1-CG2 3.51Å; F249-T269 HydrophobicContact CZ-CG2 4.42Å; F249-I270 HydrophobicContact CB-CD1 4.29Å; F249-I270 HydrophobicContact CB-CG1 3.85Å; F249-I270 HydrophobicContact CD1-CG1 4.45Å; F249-Y273 HydrophobicContact CB-CE2 4.37Å; F249-Y273 HydrophobicContact CD1-CD2 4.44Å; F249-Y273 AromaticContact CD1-CE2 3.72Å; F249-Y273 HydrophobicContact CD1-CE2 3.72Å; F249-Y273 AromaticContact CD2-CE2 3.99Å; F249-Y273 HydrophobicContact CD2-CE2 3.99Å; F249-Y273 HydrophobicContact CE1-CE2 4Å; F249-Y273 HydrophobicContact CE2-CE2 4.24Å; F249-Y273 HydrophobicContact CG-CD2 4.45Å; F249-Y273 AromaticContact CG-CE2 3.74Å; F249-Y273 HydrophobicContact CG-CE2 3.74Å; F249-Y273 HydrophobicContact CZ-CE2 4.25Å |
| 250 | L | 92.2 | Very high | 89.4 | Confident | 85 Ų | 85 | 74.1 Ų | 74.1 | 45% | 0.445 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -36.4 | 173.8 | -71.7 | 167.4 | 0 | 0 | 0 | 111.8 | L246 K247 C253 I270 | L246-L250 HydrophobicContact CD1-CD1 4.26Å; L246-L250 HydrophobicContact CD1-CG 4.29Å; L246-L250 HydrophobicContact CG-CD1 4.19Å; L246-L250 VanDerWaalsContact O-CG 3.29Å; L246-L250 WeakPolarHBondContact O-CG 3.27Å; L246-L250 PolarHBondContact O-N 3.35Å; K247-L250 PolarHBondContact O-N 2.89Å; L250-C253 WeakPolarHBondContact O-CB 3.26Å; L250-C253 PolarHBondContact O-N 3.28Å; L250-I270 HydrophobicContact CD2-CD1 4.23Å; L250-I270 HydrophobicContact CD2-CG2 4.05Å |
| 251 | E | 91.4 | Very high | 88.7 | Confident | 110 Ų | 110 | 73.5 Ų | 73.5 | 51% | 0.514 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.2 | -46.2 | 173.5 | -70.5 | 169.2 | -172.2 | 0 | 0 | 111.6 | K247 Q248 F249 C253 R254 Q255 | K247-E251 PolarHBondContact O-N 3.17Å; Q248-E251 WeakPolarHBondContact O-CB 3.48Å; Q248-E251 PolarHBondContact O-N 3.19Å; F249-E251 VanDerWaalsContact C-N 3.31Å; E251-C253 PolarHBondContact O-N 3.36Å; E251-R254 WeakPolarHBondContact O-CB 3.47Å; E251-R254 PolarHBondContact O-N 3.19Å; E251-Q255 PolarHBondContact O-N 3.36Å |
| 252 | C | 90.1 | Very high | 88.3 | Confident | 10 Ų | 10 | 72.5 Ų | 72.5 | 7% | 0.068 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.2 | -38.1 | 173.1 | -70.9 | 0 | 0 | 0 | 0 | 111.7 | L193 Q248 F249 R254 Q255 V256 L266 | L193-C252 VanDerWaalsContact CD2-SG 3.51Å; Q248-C252 PolarHBondContact O-N 3.29Å; Q248-C252 PolarHBondContact O-SG 3.36Å; Q248-C252 VanDerWaalsContact O-SG 3.37Å; F249-C252 PolarHBondContact O-N 2.89Å; C252-R254 PolarHBondContact O-N 2.93Å; C252-R254 VanDerWaalsContact O-N 3.13Å; C252-Q255 PolarHBondContact O-N 3.12Å; C252-V256 WeakPolarHBondContact O-CG2 3.15Å; C252-V256 PolarHBondContact O-N 3.19Å; C252-L266 HydrophobicContact CB-CD2 4.35Å |
| 253 | C | 88 | Confident | 88 | Confident | 15 Ų | 15 | 75.7 Ų | 75.7 | 10% | 0.101 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.9 | -22.9 | 174 | -105.8 | 0 | 0 | 0 | 0 | 113.5 | F249 L250 E251 R263 L266 I270 | F249-C253 WeakPolarHBondContact O-CB 3.28Å; F249-C253 PolarHBondContact O-N 3.27Å; L250-C253 WeakPolarHBondContact O-CB 3.26Å; L250-C253 PolarHBondContact O-N 3.28Å; E251-C253 PolarHBondContact O-N 3.36Å; C253-R263 PolarHBondContact O-NH1 2.91Å; C253-L266 HydrophobicContact CB-CD2 4.17Å; C253-L266 WeakPolarHBondContact SG-CD2 3.39Å; C253-L266 VanDerWaalsContact SG-CG 3.57Å; C253-I270 HydrophobicContact CB-CD1 4.21Å; C253-I270 WeakPolarHBondContact SG-CD1 3.44Å |
| 254 | R | 86 | Confident | 87.9 | Confident | 218 Ų | 218 | 76.7 Ų | 76.7 | 82% | 0.823 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -82.6 | -23.9 | 174.4 | -62.2 | 176.3 | 179.1 | 175.2 | -0.9 | 112.4 | E251 C252 | E251-R254 WeakPolarHBondContact O-CB 3.47Å; E251-R254 PolarHBondContact O-N 3.19Å; C252-R254 PolarHBondContact O-N 2.93Å; C252-R254 VanDerWaalsContact O-N 3.13Å |
| 255 | Q | 83.1 | Confident | 87.8 | Confident | 133 Ų | 133 | 73.5 Ų | 73.5 | 62% | 0.621 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -90.2 | -33.6 | -178.2 | -60.3 | 175.6 | 9.7 | 0 | 0 | 112.1 | E251 C252 G257 | E251-Q255 PolarHBondContact O-N 3.36Å; C252-Q255 PolarHBondContact O-N 3.12Å; Q255-G257 PolarHBondContact O-N 3.49Å |
| 256 | V | 84.1 | Confident | 87.7 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 10% | 0.103 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -79.2 | 114.7 | 178.5 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | V196 C252 S260 C262 R263 L266 | V196-V256 HydrophobicContact CG1-CG2 4.49Å; C252-V256 WeakPolarHBondContact O-CG2 3.15Å; C252-V256 PolarHBondContact O-N 3.19Å; V256-S260 VanDerWaalsContact CG1-CB 3.41Å; V256-C262 HydrophobicContact CG1-CB 4.25Å; V256-R263 PolarHBondContact O-NH1 3.45Å; V256-L266 HydrophobicContact CB-CD2 4.33Å; V256-L266 HydrophobicContact CG2-CD2 4.16Å |
| 257 | G | 80.5 | Confident | 87.7 | Confident | 46 Ų | 46 | 74.1 Ų | 74.1 | 47% | 0.474 | 37% | 0.369 | S | S | . | . | trans | -57.9 | 156.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q255 E259 S260 | Q255-G257 PolarHBondContact O-N 3.49Å; G257-E259 PolarHBondContact O-N 2.96Å; G257-S260 WeakPolarHBondContact O-CB 3.47Å; G257-S260 PolarHBondContact O-N 3.29Å; G257-S260 VanDerWaalsContact O-N 3.15Å | ||
| 258 | S | 79.7 | Confident | 87.6 | Confident | 104 Ų | 104 | 72 Ų | 72 | 73% | 0.727 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28.2 | -178 | 48.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 259 | E | 81.6 | Confident | 87.6 | Confident | 185 Ų | 185 | 68.7 Ų | 68.7 | 86% | 0.864 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.4 | -179.4 | -61.6 | -174.9 | 170.1 | 0 | 0 | 113.3 | G257 | G257-E259 PolarHBondContact O-N 2.96Š|
| 260 | S | 83.3 | Confident | 87.6 | Confident | 13 Ų | 13 | 69.7 Ų | 69.7 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | trans | -66.5 | 136 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | E201 V256 G257 C262 R263 | E201-S260 PolarHBondContact OE1-OG 2.83Å; V256-S260 VanDerWaalsContact CG1-CB 3.41Å; G257-S260 WeakPolarHBondContact O-CB 3.47Å; G257-S260 PolarHBondContact O-N 3.29Å; G257-S260 VanDerWaalsContact O-N 3.15Å; S260-C262 PolarHBondContact O-N 2.9Å; S260-C262 PolarHBondContact OG-N 2.98Å; S260-R263 WeakPolarHBondContact O-CB 3.26Å; S260-R263 PolarHBondContact O-N 3.24Å | ||
| 261 | P | 79.9 | Confident | 87.7 | Confident | 76 Ų | 76 | 69.6 Ų | 69.6 | 49% | 0.494 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.2 | 175.4 | 26.1 | -35.2 | 0 | 0 | 0 | 112.7 | L205 R263 | L205-P261 HydrophobicContact CD2-CB 4.37Å; P261-R263 VanDerWaalsContact C-N 3.33Å |
| 262 | C | 85.7 | Confident | 87.8 | Confident | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.02 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.7 | -24.8 | 174.9 | -67.8 | 0 | 0 | 0 | 0 | 113.1 | L208 V256 S260 E264 K265 L266 | L208-C262 HydrophobicContact CD2-CB 4.25Å; V256-C262 HydrophobicContact CG1-CB 4.25Å; S260-C262 PolarHBondContact O-N 2.9Å; S260-C262 PolarHBondContact OG-N 2.98Å; C262-E264 PolarHBondContact O-N 3.29Å; C262-K265 PolarHBondContact O-N 3.41Å; C262-L266 VanDerWaalsContact O-CB 3.28Å; C262-L266 WeakPolarHBondContact O-CB 3.49Å; C262-L266 PolarHBondContact O-N 3.19Å |
| 263 | R | 89.3 | Confident | 87.9 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 25% | 0.253 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.9 | -53.5 | -166.3 | -176.4 | 68.7 | -172 | -158.3 | 8 | 112.8 | C253 V256 S260 P261 K265 L266 E267 | C253-R263 PolarHBondContact O-NH1 2.91Å; V256-R263 PolarHBondContact O-NH1 3.45Å; S260-R263 WeakPolarHBondContact O-CB 3.26Å; S260-R263 PolarHBondContact O-N 3.24Å; P261-R263 VanDerWaalsContact C-N 3.33Å; R263-K265 VanDerWaalsContact C-N 3.3Å; R263-K265 PolarHBondContact O-N 2.85Å; R263-L266 WeakPolarHBondContact O-CB 3.46Å; R263-L266 PolarHBondContact O-N 3.25Å; R263-E267 IonicContact CZ-OE1 3.84Å; R263-E267 IonicContact NE-OE1 2.82Å; R263-E267 PolarHBondContact NE-OE1 3.09Å; R263-E267 IonicContact NH2-OE1 3.79Å; R263-E267 PolarHBondContact NH2-OE1 2.73Å; R263-E267 WeakPolarHBondContact O-CG 3.49Å; R263-E267 PolarHBondContact O-N 3.25Å |
| 264 | E | 89.7 | Confident | 88 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 56% | 0.556 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | -177.9 | -168.3 | -161.7 | 171.4 | 0 | 0 | 111.5 | C262 K268 | C262-E264 PolarHBondContact O-N 3.29Å; E264-K268 VanDerWaalsContact CD-NZ 3.31Å; E264-K268 VanDerWaalsContact O-CG 3.29Å; E264-K268 WeakPolarHBondContact O-CG 3.29Å; E264-K268 PolarHBondContact O-N 3.28Å; E264-K268 VanDerWaalsContact O-N 3.08Å; E264-K268 VanDerWaalsContact OE1-CE 3.26Å; E264-K268 WeakPolarHBondContact OE1-CE 3.37Å; E264-K268 IonicContact OE1-NZ 3.19Å; E264-K268 PolarHBondContact OE1-NZ 2.7Å; E264-K268 IonicContact OE2-NZ 3.34Å |
| 265 | K | 90.4 | Very high | 88.2 | Confident | 58 Ų | 58 | 61.5 Ų | 61.5 | 25% | 0.252 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -72.3 | -34.2 | 178.8 | -69.7 | -178.9 | -165.7 | -95.2 | 0 | 112 | L205 L208 E209 C262 R263 K268 T269 | L205-K265 HydrophobicContact CD1-CD 3.67Å; L208-K265 HydrophobicContact CD2-CB 3.74Å; L208-K265 HydrophobicContact CG-CB 4.18Å; E209-K265 HydrophobicContact CG-CD 3.77Å; E209-K265 WeakPolarHBondContact OE1-CE 3.41Å; E209-K265 IonicContact OE1-NZ 2.58Å; E209-K265 PolarHBondContact OE1-NZ 3.02Å; C262-K265 PolarHBondContact O-N 3.41Å; R263-K265 VanDerWaalsContact C-N 3.3Å; R263-K265 PolarHBondContact O-N 2.85Å; K265-K268 PolarHBondContact O-N 2.75Å; K265-T269 PolarHBondContact O-N 3.31Å; K265-T269 PolarHBondContact O-OG1 3.49Å |
| 266 | L | 92.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65 | -46.7 | 177.9 | -178.2 | 59.2 | 0 | 0 | 0 | 110.3 | F192 L208 F249 C252 C253 V256 C262 R263 K268 T269 I270 | F192-L266 HydrophobicContact CE1-CD1 3.92Å; F192-L266 HydrophobicContact CZ-CD1 3.77Å; L208-L266 HydrophobicContact CD1-CD1 4.4Å; L208-L266 HydrophobicContact CD2-CB 4.12Å; F249-L266 HydrophobicContact CB-CD1 4.38Å; F249-L266 HydrophobicContact CD1-CD1 3.33Å; F249-L266 HydrophobicContact CE1-CD1 3.78Å; F249-L266 HydrophobicContact CG-CD1 4.1Å; C252-L266 HydrophobicContact CB-CD2 4.35Å; C253-L266 HydrophobicContact CB-CD2 4.17Å; C253-L266 WeakPolarHBondContact SG-CD2 3.39Å; C253-L266 VanDerWaalsContact SG-CG 3.57Å; V256-L266 HydrophobicContact CB-CD2 4.33Å; V256-L266 HydrophobicContact CG2-CD2 4.16Å; C262-L266 VanDerWaalsContact O-CB 3.28Å; C262-L266 WeakPolarHBondContact O-CB 3.49Å; C262-L266 PolarHBondContact O-N 3.19Å; R263-L266 WeakPolarHBondContact O-CB 3.46Å; R263-L266 PolarHBondContact O-N 3.25Å; L266-K268 PolarHBondContact O-N 2.9Å; L266-T269 WeakPolarHBondContact O-CB 3.11Å; L266-T269 PolarHBondContact O-N 3.01Å; L266-T269 VanDerWaalsContact O-N 3.12Å; L266-I270 HydrophobicContact CG-CD1 4.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.4Å; L266-I270 PolarHBondContact O-N 2.9Å |
| 267 | E | 92.4 | Very high | 88.3 | Confident | 83 Ų | 83 | 56.1 Ų | 56.1 | 39% | 0.388 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 175 | -70.2 | 176.4 | 178.3 | 0 | 0 | 111.8 | R263 T269 I270 I271 | R263-E267 IonicContact CZ-OE1 3.84Å; R263-E267 IonicContact NE-OE1 2.82Å; R263-E267 PolarHBondContact NE-OE1 3.09Å; R263-E267 IonicContact NH2-OE1 3.79Å; R263-E267 PolarHBondContact NH2-OE1 2.73Å; R263-E267 WeakPolarHBondContact O-CG 3.49Å; R263-E267 PolarHBondContact O-N 3.25Å; E267-T269 VanDerWaalsContact C-N 3.29Å; E267-T269 PolarHBondContact O-N 3.18Å; E267-I270 PolarHBondContact O-N 2.97Å; E267-I271 VanDerWaalsContact O-CG1 3.3Å; E267-I271 WeakPolarHBondContact O-CG1 3.26Å; E267-I271 PolarHBondContact O-N 3.47Å |
| 268 | K | 92.1 | Very high | 88 | Confident | 100 Ų | 100 | 58.2 Ų | 58.2 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.4 | -38.6 | 173.3 | -75.9 | 172.5 | -175.6 | 170.3 | 0 | 112.4 | E264 K265 L266 L272 | E264-K268 VanDerWaalsContact CD-NZ 3.31Å; E264-K268 VanDerWaalsContact O-CG 3.29Å; E264-K268 WeakPolarHBondContact O-CG 3.29Å; E264-K268 PolarHBondContact O-N 3.28Å; E264-K268 VanDerWaalsContact O-N 3.08Å; E264-K268 VanDerWaalsContact OE1-CE 3.26Å; E264-K268 WeakPolarHBondContact OE1-CE 3.37Å; E264-K268 IonicContact OE1-NZ 3.19Å; E264-K268 PolarHBondContact OE1-NZ 2.7Å; E264-K268 IonicContact OE2-NZ 3.34Å; K265-K268 PolarHBondContact O-N 2.75Å; L266-K268 PolarHBondContact O-N 2.9Å; K268-L272 WeakPolarHBondContact O-CB 3.39Å; K268-L272 PolarHBondContact O-N 3.39Å |
| 269 | T | 93.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 177.3 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | T211 L215 F249 K265 L266 E267 I271 L272 Y273 | T211-T269 HydrophobicContact CG2-CG2 4.4Å; L215-T269 HydrophobicContact CD2-CG2 4.15Å; F249-T269 HydrophobicContact CD1-CG2 3.88Å; F249-T269 HydrophobicContact CE1-CG2 3.51Å; F249-T269 HydrophobicContact CZ-CG2 4.42Å; K265-T269 PolarHBondContact O-N 3.31Å; K265-T269 PolarHBondContact O-OG1 3.49Å; L266-T269 WeakPolarHBondContact O-CB 3.11Å; L266-T269 PolarHBondContact O-N 3.01Å; L266-T269 VanDerWaalsContact O-N 3.12Å; E267-T269 VanDerWaalsContact C-N 3.29Å; E267-T269 PolarHBondContact O-N 3.18Å; T269-I271 PolarHBondContact O-N 3.26Å; T269-L272 CarbonylContact O-C 3.58Å; T269-L272 WeakPolarHBondContact O-CA 3.31Å; T269-L272 WeakPolarHBondContact O-CB 3.5Å; T269-L272 PolarHBondContact O-N 2.96Å; T269-Y273 HydrophobicContact CG2-CD2 4.17Å; T269-Y273 HydrophobicContact CG2-CE2 3.72Å; T269-Y273 PolarHBondContact O-N 3.18Å |
| 270 | I | 93.9 | Very high | 85.9 | Confident | 22 Ų | 22 | 51 Ų | 51 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -48.3 | 174.3 | -71.4 | 163.7 | 0 | 0 | 0 | 111.1 | L246 F249 L250 C253 L266 E267 L272 Y273 T274 | L246-I270 HydrophobicContact CD1-CG2 3.88Å; F249-I270 HydrophobicContact CB-CD1 4.29Å; F249-I270 HydrophobicContact CB-CG1 3.85Å; F249-I270 HydrophobicContact CD1-CG1 4.45Å; L250-I270 HydrophobicContact CD2-CD1 4.23Å; L250-I270 HydrophobicContact CD2-CG2 4.05Å; C253-I270 HydrophobicContact CB-CD1 4.21Å; C253-I270 WeakPolarHBondContact SG-CD1 3.44Å; L266-I270 HydrophobicContact CG-CD1 4.28Å; L266-I270 WeakPolarHBondContact O-CG1 3.4Å; L266-I270 PolarHBondContact O-N 2.9Å; E267-I270 PolarHBondContact O-N 2.97Å; I270-L272 PolarHBondContact O-N 3.43Å; I270-Y273 WeakPolarHBondContact O-CB 3.26Å; I270-Y273 PolarHBondContact O-N 3.38Å; I270-Y273 VanDerWaalsContact O-N 3.16Å; I270-T274 PolarHBondContact O-N 2.98Å |
| 271 | I | 93.6 | Very high | 84 | Confident | 83 Ų | 83 | 57.6 Ų | 57.6 | 43% | 0.426 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.8 | -33.2 | 175.2 | -67.5 | 165.9 | 0 | 0 | 0 | 111 | E267 T269 T274 K275 | E267-I271 VanDerWaalsContact O-CG1 3.3Å; E267-I271 WeakPolarHBondContact O-CG1 3.26Å; E267-I271 PolarHBondContact O-N 3.47Å; T269-I271 PolarHBondContact O-N 3.26Å; I271-T274 PolarHBondContact O-OG1 3.18Å; I271-K275 HydrophobicContact CG2-CD 4.15Å; I271-K275 WeakPolarHBondContact O-CB 3.48Å; I271-K275 VanDerWaalsContact O-CG 3.27Å; I271-K275 WeakPolarHBondContact O-CG 3.4Å; I271-K275 PolarHBondContact O-N 2.93Å |
| 272 | L | 93.3 | Very high | 82.4 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.6 | -40.8 | 177 | -174.5 | 58.6 | 0 | 0 | 0 | 111.9 | L212 L215 K216 K268 T269 I270 T274 K275 V276 | L212-L272 HydrophobicContact CD1-CD2 3.77Å; L215-L272 HydrophobicContact CB-CD2 4.08Å; L215-L272 HydrophobicContact CD2-CB 4.03Å; L215-L272 HydrophobicContact CD2-CD2 3.7Å; L215-L272 HydrophobicContact CD2-CG 3.74Å; L215-L272 HydrophobicContact CG-CD2 3.68Å; L215-L272 HydrophobicContact CG-CG 3.94Å; K216-L272 HydrophobicContact CB-CD2 4.38Å; K216-L272 HydrophobicContact CD-CD2 4.39Å; K216-L272 HydrophobicContact CG-CD2 3.37Å; K268-L272 WeakPolarHBondContact O-CB 3.39Å; K268-L272 PolarHBondContact O-N 3.39Å; T269-L272 CarbonylContact O-C 3.58Å; T269-L272 WeakPolarHBondContact O-CA 3.31Å; T269-L272 WeakPolarHBondContact O-CB 3.5Å; T269-L272 PolarHBondContact O-N 2.96Å; I270-L272 PolarHBondContact O-N 3.43Å; L272-T274 VanDerWaalsContact C-N 3.33Å; L272-T274 PolarHBondContact O-N 3.39Å; L272-K275 CarbonylContact O-C 3.5Å; L272-K275 WeakPolarHBondContact O-CB 3.35Å; L272-K275 PolarHBondContact O-N 2.99Å; L272-K275 VanDerWaalsContact O-N 3.15Å; L272-V276 WeakPolarHBondContact O-CG2 3.43Å; L272-V276 PolarHBondContact O-N 3.39Å |
| 273 | Y | 93.4 | Very high | 79.9 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 173.6 | -75.5 | -44.3 | 0 | 0 | 0 | 111.6 | W185 L215 V242 R245 L246 F249 T269 I270 K275 V276 V277 | W185-Y273 AromaticContact CE2-CE1 3.93Å; W185-Y273 AromaticContact CZ2-CE1 3.5Å; W185-Y273 HydrophobicContact CZ2-CE1 3.5Å; W185-Y273 VanDerWaalsContact CZ2-CE1 3.5Å; W185-Y273 AromaticContact CZ2-CZ 3.86Å; W185-Y273 WeakPolarHBondContact CZ2-OH 3.49Å; W185-Y273 AromaticContact NE1-CE1 3.83Å; W185-Y273 PolarHBondContact NE1-OH 2.88Å; L215-Y273 HydrophobicContact CD1-CD1 3.92Å; L215-Y273 HydrophobicContact CD1-CE1 3.78Å; L215-Y273 HydrophobicContact CD2-CD1 3.38Å; L215-Y273 HydrophobicContact CD2-CE1 3.36Å; L215-Y273 HydrophobicContact CD2-CG 4.07Å; L215-Y273 HydrophobicContact CG-CD1 4.3Å; L215-Y273 HydrophobicContact CG-CE1 4.19Å; V242-Y273 HydrophobicContact CB-CD1 4.24Å; V242-Y273 HydrophobicContact CG1-CD1 3.48Å; V242-Y273 VanDerWaalsContact CG1-CD1 3.48Å; V242-Y273 HydrophobicContact CG1-CE1 4.25Å; V242-Y273 HydrophobicContact CG1-CG 4.12Å; V242-Y273 HydrophobicContact CG2-CD1 4.07Å; V242-Y273 HydrophobicContact CG2-CE1 4.12Å; R245-Y273 HydrophobicContact CB-CE2 4.46Å; L246-Y273 HydrophobicContact CB-CD2 4.49Å; L246-Y273 HydrophobicContact CD1-CD2 4.37Å; F249-Y273 HydrophobicContact CB-CE2 4.37Å; F249-Y273 HydrophobicContact CD1-CD2 4.44Å; F249-Y273 AromaticContact CD1-CE2 3.72Å; F249-Y273 HydrophobicContact CD1-CE2 3.72Å; F249-Y273 AromaticContact CD2-CE2 3.99Å; F249-Y273 HydrophobicContact CD2-CE2 3.99Å; F249-Y273 HydrophobicContact CE1-CE2 4Å; F249-Y273 HydrophobicContact CE2-CE2 4.24Å; F249-Y273 HydrophobicContact CG-CD2 4.45Å; F249-Y273 AromaticContact CG-CE2 3.74Å; F249-Y273 HydrophobicContact CG-CE2 3.74Å; F249-Y273 HydrophobicContact CZ-CE2 4.25Å; T269-Y273 HydrophobicContact CG2-CD2 4.17Å; T269-Y273 HydrophobicContact CG2-CE2 3.72Å; T269-Y273 PolarHBondContact O-N 3.18Å; I270-Y273 WeakPolarHBondContact O-CB 3.26Å; I270-Y273 PolarHBondContact O-N 3.38Å; I270-Y273 VanDerWaalsContact O-N 3.16Å; Y273-K275 VanDerWaalsContact C-N 3.28Å; Y273-K275 PolarHBondContact O-N 3Å; Y273-V276 WeakPolarHBondContact O-CB 3.42Å; Y273-V276 PolarHBondContact O-N 3.04Å; Y273-V277 PolarHBondContact O-N 2.93Å |
| 274 | T | 89.9 | Confident | 77.3 | Confident | 64 Ų | 64 | 70.4 Ų | 70.4 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 176.6 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | L246 I270 I271 L272 V276 V277 S278 | L246-T274 HydrophobicContact CD1-CG2 4.46Å; L246-T274 HydrophobicContact CD2-CG2 4.31Å; I270-T274 PolarHBondContact O-N 2.98Å; I271-T274 PolarHBondContact O-OG1 3.18Å; L272-T274 VanDerWaalsContact C-N 3.33Å; L272-T274 PolarHBondContact O-N 3.39Å; T274-V276 VanDerWaalsContact C-N 3.31Å; T274-V276 PolarHBondContact O-N 3.05Å; T274-V277 PolarHBondContact O-N 3.26Å; T274-S278 WeakPolarHBondContact O-CB 3.39Å; T274-S278 PolarHBondContact O-N 3Å; T274-S278 PolarHBondContact O-OG 3.39Å |
| 275 | K | 89.3 | Confident | 76.6 | Confident | 100 Ų | 100 | 68 Ų | 68 | 44% | 0.435 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.3 | -16.8 | 174.9 | -74.1 | 172.6 | -178 | 170.5 | 0 | 115.2 | R219 I271 L272 Y273 K279 | R219-K275 PolarHBondContact NE-O 3.29Å; I271-K275 HydrophobicContact CG2-CD 4.15Å; I271-K275 WeakPolarHBondContact O-CB 3.48Å; I271-K275 VanDerWaalsContact O-CG 3.27Å; I271-K275 WeakPolarHBondContact O-CG 3.4Å; I271-K275 PolarHBondContact O-N 2.93Å; L272-K275 CarbonylContact O-C 3.5Å; L272-K275 WeakPolarHBondContact O-CB 3.35Å; L272-K275 PolarHBondContact O-N 2.99Å; L272-K275 VanDerWaalsContact O-N 3.15Å; Y273-K275 VanDerWaalsContact C-N 3.28Å; Y273-K275 PolarHBondContact O-N 3Å; K275-K279 VanDerWaalsContact O-CB 3.24Å; K275-K279 WeakPolarHBondContact O-CB 3.46Å |
| 276 | V | 88.6 | Confident | 75.9 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -80.8 | -46.8 | 172.8 | 167.1 | 0 | 0 | 0 | 0 | 108.7 | L215 R219 F238 L239 V242 L272 Y273 T274 P280 | L215-V276 HydrophobicContact CD1-CG2 4.06Å; L215-V276 HydrophobicContact CG-CG2 4.49Å; R219-V276 HydrophobicContact CB-CG2 3.84Å; R219-V276 HydrophobicContact CG-CG2 3.88Å; F238-V276 HydrophobicContact CE1-CG1 3.73Å; F238-V276 HydrophobicContact CZ-CG1 3.99Å; L239-V276 HydrophobicContact CD2-CG1 3.75Å; V242-V276 HydrophobicContact CG1-CB 4.41Å; V242-V276 HydrophobicContact CG1-CG1 4.24Å; V242-V276 HydrophobicContact CG2-CG1 4.28Å; L272-V276 WeakPolarHBondContact O-CG2 3.43Å; L272-V276 PolarHBondContact O-N 3.39Å; Y273-V276 WeakPolarHBondContact O-CB 3.42Å; Y273-V276 PolarHBondContact O-N 3.04Å; T274-V276 VanDerWaalsContact C-N 3.31Å; T274-V276 PolarHBondContact O-N 3.05Å; V276-P280 WeakPolarHBondContact O-CD 3.48Å |
| 277 | V | 81.2 | Confident | 75 | Confident | 28 Ų | 28 | 72.3 Ų | 72.3 | 17% | 0.17 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -67 | -41.5 | 179.2 | 165.1 | 0 | 0 | 0 | 0 | 112.7 | V242 F243 Y273 T274 K279 P280 | V242-V277 HydrophobicContact CG1-CG2 3.71Å; F243-V277 HydrophobicContact CD1-CG1 4.26Å; F243-V277 HydrophobicContact CD1-CG2 4.13Å; F243-V277 HydrophobicContact CD2-CG2 3.94Å; F243-V277 HydrophobicContact CE1-CB 4.33Å; F243-V277 HydrophobicContact CE1-CG1 3.37Å; F243-V277 HydrophobicContact CE1-CG2 4.04Å; F243-V277 HydrophobicContact CE2-CB 4.32Å; F243-V277 HydrophobicContact CE2-CG1 3.69Å; F243-V277 HydrophobicContact CE2-CG2 3.82Å; F243-V277 HydrophobicContact CG-CG2 4.12Å; F243-V277 HydrophobicContact CZ-CB 4.07Å; F243-V277 HydrophobicContact CZ-CG1 3.04Å; F243-V277 HydrophobicContact CZ-CG2 3.92Å; Y273-V277 PolarHBondContact O-N 2.93Å; T274-V277 PolarHBondContact O-N 3.26Å; V277-K279 PolarHBondContact O-N 3.4Å; V277-P280 WeakPolarHBondContact O-CD 3.48Å |
| 278 | S | 75.1 | Confident | 73.9 | Confident | 90 Ų | 90 | 71.6 Ų | 71.6 | 63% | 0.629 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -4.7 | -172.8 | 77.7 | 0 | 0 | 0 | 0 | 114.3 | T274 | T274-S278 WeakPolarHBondContact O-CB 3.39Å; T274-S278 PolarHBondContact O-N 3Å; T274-S278 PolarHBondContact O-OG 3.39Å |
| 279 | K | 64.5 | Low | 72.8 | Confident | 120 Ų | 120 | 69.9 Ų | 69.9 | 52% | 0.522 | 38% | 0.383 | S | S | . | . | trans | -126.4 | 1.5 | -161.7 | -131.9 | -167 | -168.1 | -154.8 | 0 | 118.1 | K275 V277 | K275-K279 VanDerWaalsContact O-CB 3.24Å; K275-K279 WeakPolarHBondContact O-CB 3.46Å; V277-K279 PolarHBondContact O-N 3.4Å | ||
| 280 | P | 52.2 | Low | 71.4 | Confident | 18 Ų | 18 | 74.5 Ų | 74.5 | 12% | 0.117 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -72.6 | 146 | 154.8 | 7.5 | 14.4 | 0 | 0 | 0 | 105.5 | L239 V276 V277 L282 | L239-P280 HydrophobicContact CD1-CG 3.98Å; L239-P280 HydrophobicContact CD2-CG 4.33Å; V276-P280 WeakPolarHBondContact O-CD 3.48Å; V277-P280 WeakPolarHBondContact O-CD 3.48Å; P280-L282 HydrophobicContact CB-CD1 4.19Å; P280-L282 HydrophobicContact CB-CG 3.91Å; P280-L282 HydrophobicContact CG-CD1 3.55Å; P280-L282 HydrophobicContact CG-CG 3.87Å; P280-L282 PolarHBondContact O-N 3.03Å |
| 281 | N | 44 | Very low | 69.8 | Low | 152 Ų | 152 | 78.3 Ų | 78.3 | 81% | 0.813 | 43% | 0.429 | S | S | * | . | trans | -61.8 | 76 | 162.7 | -64 | -39.5 | 0 | 0 | 0 | 107.2 | Q230 | Q230-N281 PolarHBondContact NE2-O 3.45Š| ||
| 282 | L | 45.3 | Very low | 68 | Low | 68 Ų | 68 | 77.9 Ų | 77.9 | 36% | 0.356 | 43% | 0.43 | S | S | . | . | trans | -93 | -4.9 | 175.1 | -84.6 | 168.7 | 0 | 0 | 0 | 111.1 | Q230 P280 | Q230-L282 HydrophobicContact CG-CD2 3.77Å; P280-L282 HydrophobicContact CB-CD1 4.19Å; P280-L282 HydrophobicContact CB-CG 3.91Å; P280-L282 HydrophobicContact CG-CD1 3.55Å; P280-L282 HydrophobicContact CG-CG 3.87Å; P280-L282 PolarHBondContact O-N 3.03Å | ||
| 283 | N | 33.8 | Very low | 65.9 | Low | 151 Ų | 151 | 82.8 Ų | 82.8 | 81% | 0.807 | 46% | 0.457 | S | S | * | . | trans | -104.2 | 81.7 | 172.4 | -70.6 | -4.9 | 0 | 0 | 0 | 108.6 | ||||
| 284 | T | 33.4 | Very low | 63.4 | Low | 195 Ų | 195 | 90.4 Ų | 90.4 | 100% | 1.196 | 50% | 0.499 | S | S | * | . | trans | 159.8 | 0 | 142.8 | 44.9 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 284 of 284 residues in 70.1 ms
(Link to these results)