| 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 | 29.7 | Very low | 53.9 | Low | 185 Ų | 185 | 100 Ų | 100 | 91% | 0.911 | 52% | 0.524 | S | S | * | . | 0 | 117.6 | 0 | -76.3 | 174.1 | 161.5 | 0 | 0 | 109.2 | |||||
| 2 | T | 37.6 | Very low | 55.2 | Low | 130 Ų | 130 | 92.2 Ų | 92.2 | 80% | 0.798 | 49% | 0.485 | S | S | * | . | trans | -126.3 | -9.6 | 177.5 | 42.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3 | G | 35.8 | Very low | 56.3 | Low | 46 Ų | 46 | 88.6 Ų | 88.6 | 47% | 0.474 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -80 | -19.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | S5 | G3-S5 VanDerWaalsContact C-N 3.33Å; G3-S5 PolarHBondContact O-N 3.19Å |
| 4 | H | 42.9 | Very low | 57.7 | Low | 125 Ų | 125 | 87.9 Ų | 87.9 | 58% | 0.579 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72.6 | -20.8 | -173.8 | -69.6 | -59.4 | 0 | 0 | 0 | 114.4 | H8 | H4-H8 VanDerWaalsContact O-CB 3.24Å; H4-H8 WeakPolarHBondContact O-CB 3.49Å; H4-H8 PolarHBondContact O-N 2.89Å |
| 5 | S | 58.4 | Low | 59.2 | Low | 67 Ų | 67 | 93.9 Ų | 93.9 | 47% | 0.469 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67 | -44.3 | 179.2 | -179.7 | 0 | 0 | 0 | 0 | 112.2 | G3 H8 Q9 | G3-S5 VanDerWaalsContact C-N 3.33Å; G3-S5 PolarHBondContact O-N 3.19Å; S5-H8 PolarHBondContact O-N 3.19Å; S5-Q9 WeakPolarHBondContact O-CB 3.28Å; S5-Q9 VanDerWaalsContact O-CG 3.25Å; S5-Q9 WeakPolarHBondContact O-CG 3.39Å; S5-Q9 PolarHBondContact O-N 2.94Å |
| 6 | V | 58.5 | Low | 59.8 | Low | 66 Ų | 66 | 91.9 Ų | 91.9 | 40% | 0.4 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.9 | -45.7 | -178.9 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | H8 Q9 Y10 | V6-H8 PolarHBondContact O-N 2.89Å; V6-Q9 PolarHBondContact O-N 2.89Å; V6-Y10 VanDerWaalsContact O-CB 3.3Å; V6-Y10 WeakPolarHBondContact O-CB 3.45Å; V6-Y10 PolarHBondContact O-N 2.83Å |
| 7 | F | 60.3 | Low | 60.6 | Low | 160 Ų | 160 | 93.6 Ų | 93.6 | 70% | 0.702 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62 | -40.7 | 175.9 | -83.8 | -78.9 | 0 | 0 | 0 | 112.6 | Y10 D11 | F7-Y10 PolarHBondContact O-N 2.83Å; F7-D11 WeakPolarHBondContact O-CB 3.42Å; F7-D11 PolarHBondContact O-N 3.04Å |
| 8 | H | 62.2 | Low | 60.7 | Low | 104 Ų | 104 | 90.3 Ų | 90.3 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.8 | -30.9 | 177.1 | -167 | -59.7 | 0 | 0 | 0 | 112.6 | H4 S5 V6 G12 | H4-H8 VanDerWaalsContact O-CB 3.24Å; H4-H8 WeakPolarHBondContact O-CB 3.49Å; H4-H8 PolarHBondContact O-N 2.89Å; S5-H8 PolarHBondContact O-N 3.19Å; V6-H8 PolarHBondContact O-N 2.89Å; H8-G12 PolarHBondContact O-N 3.47Å |
| 9 | Q | 64 | Low | 61.3 | Low | 33 Ų | 33 | 88.3 Ų | 88.3 | 15% | 0.154 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -74.3 | -36.5 | 173.5 | -75.1 | 174.9 | -0.6 | 0 | 0 | 112 | S5 V6 G12 L13 L18 Y23 | S5-Q9 WeakPolarHBondContact O-CB 3.28Å; S5-Q9 VanDerWaalsContact O-CG 3.25Å; S5-Q9 WeakPolarHBondContact O-CG 3.39Å; S5-Q9 PolarHBondContact O-N 2.94Å; V6-Q9 PolarHBondContact O-N 2.89Å; Q9-G12 CarbonylContact O-C 3.51Å; Q9-G12 PolarHBondContact O-N 2.78Å; Q9-L13 WeakPolarHBondContact O-CB 3.46Å; Q9-L13 PolarHBondContact O-N 3.4Å; Q9-L18 HydrophobicContact CB-CD1 3.97Å; Q9-L18 HydrophobicContact CG-CD1 4.03Å; Q9-L18 WeakPolarHBondContact O-CD1 3.29Å; Q9-Y23 HydrophobicContact CB-CD2 4.03Å; Q9-Y23 HydrophobicContact CB-CE2 3.97Å |
| 10 | Y | 70 | Confident | 61.5 | Low | 133 Ų | 133 | 88.5 Ų | 88.5 | 52% | 0.522 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.8 | -40.5 | 174.3 | 179.8 | -94 | 0 | 0 | 0 | 111.8 | V6 F7 G12 L13 S14 | V6-Y10 VanDerWaalsContact O-CB 3.3Å; V6-Y10 WeakPolarHBondContact O-CB 3.45Å; V6-Y10 PolarHBondContact O-N 2.83Å; F7-Y10 PolarHBondContact O-N 2.83Å; Y10-G12 VanDerWaalsContact C-N 3.32Å; Y10-L13 WeakPolarHBondContact O-CB 3.38Å; Y10-L13 PolarHBondContact O-N 3.35Å; Y10-S14 WeakPolarHBondContact O-CB 3.34Å; Y10-S14 PolarHBondContact O-N 3.21Å; Y10-S14 PolarHBondContact O-OG 3.43Å |
| 11 | D | 73.3 | Confident | 61.5 | Low | 51 Ų | 51 | 87.2 Ų | 87.2 | 27% | 0.273 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 170.1 | -178.1 | 61.2 | 0 | 0 | 0 | 110.9 | F7 L13 S14 R15 | F7-D11 WeakPolarHBondContact O-CB 3.42Å; F7-D11 PolarHBondContact O-N 3.04Å; D11-L13 PolarHBondContact O-N 2.95Å; D11-S14 WeakPolarHBondContact CA-OG 3.35Å; D11-S14 PolarHBondContact O-N 2.68Å; D11-S14 PolarHBondContact O-OG 3.14Å; D11-S14 VanDerWaalsContact O-OG 3.07Å; D11-R15 VanDerWaalsContact CG-CZ 3.45Å; D11-R15 VanDerWaalsContact O-CB 3.26Å; D11-R15 WeakPolarHBondContact O-CB 3.36Å; D11-R15 WeakPolarHBondContact O-CG 3.45Å; D11-R15 PolarHBondContact O-N 3.03Å; D11-R15 IonicContact OD1-CZ 3.82Å; D11-R15 IonicContact OD1-NE 2.9Å; D11-R15 PolarHBondContact OD1-NE 2.9Å; D11-R15 IonicContact OD1-NH2 2.76Å; D11-R15 PolarHBondContact OD1-NH2 3.39Å; D11-R15 IonicContact OD2-CZ 3.21Å; D11-R15 IonicContact OD2-NE 3.12Å; D11-R15 PolarHBondContact OD2-NE 2.86Å; D11-R15 VanDerWaalsContact OD2-NE 3.09Å; D11-R15 IonicContact OD2-NH1 3.75Å; D11-R15 IonicContact OD2-NH2 3.46Å; D11-R15 PolarHBondContact OD2-NH2 2.92Å |
| 12 | G | 70 | Confident | 62.9 | Low | 6 Ų | 6 | 82 Ų | 82 | 6% | 0.062 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 170 | 0 | 0 | 0 | 0 | 0 | 113.5 | H8 Q9 Y10 G16 V17 L18 | H8-G12 PolarHBondContact O-N 3.47Å; Q9-G12 CarbonylContact O-C 3.51Å; Q9-G12 PolarHBondContact O-N 2.78Å; Y10-G12 VanDerWaalsContact C-N 3.32Å; G12-G16 PolarHBondContact O-N 3.44Å; G12-V17 WeakPolarHBondContact O-CA 3.31Å; G12-V17 WeakPolarHBondContact O-CB 3.32Å; G12-V17 PolarHBondContact O-N 3.2Å; G12-L18 PolarHBondContact O-N 3.15Å |
| 13 | L | 68.7 | Low | 64.2 | Low | 46 Ų | 46 | 78 Ų | 78 | 24% | 0.241 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.4 | -47.6 | 174.7 | 176.8 | 67.4 | 0 | 0 | 0 | 111.2 | Q9 Y10 D11 R15 G16 L18 P20 Y23 | Q9-L13 WeakPolarHBondContact O-CB 3.46Å; Q9-L13 PolarHBondContact O-N 3.4Å; Y10-L13 WeakPolarHBondContact O-CB 3.38Å; Y10-L13 PolarHBondContact O-N 3.35Å; D11-L13 PolarHBondContact O-N 2.95Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 2.92Å; L13-G16 PolarHBondContact O-N 3.06Å; L13-L18 WeakPolarHBondContact CD1-O 3.16Å; L13-P20 HydrophobicContact CD1-CB 4.26Å; L13-P20 HydrophobicContact CD1-CG 3.98Å; L13-Y23 HydrophobicContact CB-CD2 4.05Å; L13-Y23 HydrophobicContact CB-CG 4.31Å; L13-Y23 HydrophobicContact CD1-CG 4.47Å; L13-Y23 HydrophobicContact CD2-CD1 3.8Å; L13-Y23 HydrophobicContact CD2-CD2 4.11Å; L13-Y23 HydrophobicContact CD2-CE1 4.13Å; L13-Y23 HydrophobicContact CD2-CE2 4.43Å; L13-Y23 HydrophobicContact CD2-CG 3.78Å; L13-Y23 HydrophobicContact CG-CG 4.42Å |
| 14 | S | 76.7 | Confident | 65.5 | Low | 79 Ų | 79 | 79.8 Ų | 79.8 | 55% | 0.552 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -68.6 | -28.2 | -178.9 | 70.2 | 0 | 0 | 0 | 0 | 112.9 | Y10 D11 G16 | Y10-S14 WeakPolarHBondContact O-CB 3.34Å; Y10-S14 PolarHBondContact O-N 3.21Å; Y10-S14 PolarHBondContact O-OG 3.43Å; D11-S14 WeakPolarHBondContact CA-OG 3.35Å; D11-S14 PolarHBondContact O-N 2.68Å; D11-S14 PolarHBondContact O-OG 3.14Å; D11-S14 VanDerWaalsContact O-OG 3.07Å; S14-G16 VanDerWaalsContact C-N 3.34Å |
| 15 | R | 79.6 | Confident | 66.3 | Low | 177 Ų | 177 | 79.6 Ų | 79.6 | 67% | 0.668 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -0.2 | 170.5 | -64.8 | 177.4 | -165 | -166.2 | 10 | 114 | D11 L13 V17 | D11-R15 VanDerWaalsContact CG-CZ 3.45Å; D11-R15 VanDerWaalsContact O-CB 3.26Å; D11-R15 WeakPolarHBondContact O-CB 3.36Å; D11-R15 WeakPolarHBondContact O-CG 3.45Å; D11-R15 PolarHBondContact O-N 3.03Å; D11-R15 IonicContact OD1-CZ 3.82Å; D11-R15 IonicContact OD1-NE 2.9Å; D11-R15 PolarHBondContact OD1-NE 2.9Å; D11-R15 IonicContact OD1-NH2 2.76Å; D11-R15 PolarHBondContact OD1-NH2 3.39Å; D11-R15 IonicContact OD2-CZ 3.21Å; D11-R15 IonicContact OD2-NE 3.12Å; D11-R15 PolarHBondContact OD2-NE 2.86Å; D11-R15 VanDerWaalsContact OD2-NE 3.09Å; D11-R15 IonicContact OD2-NH1 3.75Å; D11-R15 IonicContact OD2-NH2 3.46Å; D11-R15 PolarHBondContact OD2-NH2 2.92Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 2.92Å; R15-V17 HydrophobicContact CB-CG2 4.04Å; R15-V17 PolarHBondContact O-N 3.5Å |
| 16 | G | 68.6 | Low | 66.4 | Low | 63 Ų | 63 | 77 Ų | 77 | 65% | 0.649 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 10.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G12 L13 S14 | G12-G16 PolarHBondContact O-N 3.44Å; L13-G16 PolarHBondContact O-N 3.06Å; S14-G16 VanDerWaalsContact C-N 3.34Å |
| 17 | V | 74.8 | Confident | 66.6 | Low | 120 Ų | 120 | 76.1 Ų | 76.1 | 73% | 0.727 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -75.8 | -32.2 | 176.5 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | G12 R15 | G12-V17 WeakPolarHBondContact O-CA 3.31Å; G12-V17 WeakPolarHBondContact O-CB 3.32Å; G12-V17 PolarHBondContact O-N 3.2Å; R15-V17 HydrophobicContact CB-CG2 4.04Å; R15-V17 PolarHBondContact O-N 3.5Å |
| 18 | L | 61.4 | Low | 67.1 | Low | 35 Ų | 35 | 70.9 Ų | 70.9 | 18% | 0.183 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -107.8 | 127 | 170.3 | -82.4 | 156.2 | 0 | 0 | 0 | 109.1 | Q9 G12 L13 N22 | Q9-L18 HydrophobicContact CB-CD1 3.97Å; Q9-L18 HydrophobicContact CG-CD1 4.03Å; Q9-L18 WeakPolarHBondContact O-CD1 3.29Å; G12-L18 PolarHBondContact O-N 3.15Å; L13-L18 WeakPolarHBondContact CD1-O 3.16Å; L18-N22 HydrophobicContact CD2-CB 4.08Å |
| 19 | S | 71.8 | Confident | 68 | Low | 51 Ų | 51 | 66.4 Ų | 66.4 | 36% | 0.357 | 36% | 0.357 | S | S | . | . | trans | -66.8 | 151.8 | 169.4 | 69.5 | 0 | 0 | 0 | 0 | 110.3 | V21 N22 Y23 | S19-V21 PolarHBondContact O-N 3.08Å; S19-N22 PolarHBondContact O-N 3.09Å; S19-N22 WeakPolarHBondContact OG-CB 3.45Å; S19-N22 VanDerWaalsContact OG-CG 3.27Å; S19-N22 PolarHBondContact OG-N 3.34Å; S19-N22 VanDerWaalsContact OG-N 3.12Å; S19-Y23 PolarHBondContact O-N 3.28Å | ||
| 20 | P | 66.1 | Low | 68.8 | Low | 93 Ų | 93 | 67.3 Ų | 67.3 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -54 | -39.5 | 174.8 | -26.8 | 34.1 | 0 | 0 | 0 | 113.1 | L13 Y23 V24 | L13-P20 HydrophobicContact CD1-CB 4.26Å; L13-P20 HydrophobicContact CD1-CG 3.98Å; P20-Y23 PolarHBondContact O-N 3.07Å; P20-V24 WeakPolarHBondContact O-CB 3.32Å; P20-V24 WeakPolarHBondContact O-CG2 3.46Å; P20-V24 PolarHBondContact O-N 3.44Å |
| 21 | V | 62.2 | Low | 69.6 | Low | 62 Ų | 62 | 65.8 Ų | 65.8 | 38% | 0.376 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 175.5 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | S19 R25 | S19-V21 PolarHBondContact O-N 3.08Å; V21-R25 WeakPolarHBondContact O-CB 3.19Å; V21-R25 VanDerWaalsContact O-CG 3.25Å; V21-R25 WeakPolarHBondContact O-CG 3.35Å; V21-R25 PolarHBondContact O-N 2.74Å |
| 22 | N | 58.6 | Low | 70.1 | Confident | 76 Ų | 76 | 68 Ų | 68 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 176.8 | -74 | -5.1 | 0 | 0 | 0 | 111.1 | L18 S19 V24 R25 C26 | L18-N22 HydrophobicContact CD2-CB 4.08Å; S19-N22 PolarHBondContact O-N 3.09Å; S19-N22 WeakPolarHBondContact OG-CB 3.45Å; S19-N22 VanDerWaalsContact OG-CG 3.27Å; S19-N22 PolarHBondContact OG-N 3.34Å; S19-N22 VanDerWaalsContact OG-N 3.12Å; N22-V24 PolarHBondContact O-N 2.91Å; N22-R25 CarbonylContact O-C 3.52Å; N22-R25 PolarHBondContact O-N 2.83Å; N22-C26 PolarHBondContact O-N 3.43Å; N22-C26 PolarHBondContact O-SG 3.48Å |
| 23 | Y | 64.2 | Low | 71 | Confident | 46 Ų | 46 | 69.4 Ų | 69.4 | 18% | 0.18 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 176.1 | 177.7 | -93 | 0 | 0 | 0 | 112.3 | Q9 L13 S19 P20 C26 Q27 | Q9-Y23 HydrophobicContact CB-CD2 4.03Å; Q9-Y23 HydrophobicContact CB-CE2 3.97Å; L13-Y23 HydrophobicContact CB-CD2 4.05Å; L13-Y23 HydrophobicContact CB-CG 4.31Å; L13-Y23 HydrophobicContact CD1-CG 4.47Å; L13-Y23 HydrophobicContact CD2-CD1 3.8Å; L13-Y23 HydrophobicContact CD2-CD2 4.11Å; L13-Y23 HydrophobicContact CD2-CE1 4.13Å; L13-Y23 HydrophobicContact CD2-CE2 4.43Å; L13-Y23 HydrophobicContact CD2-CG 3.78Å; L13-Y23 HydrophobicContact CG-CG 4.42Å; S19-Y23 PolarHBondContact O-N 3.28Å; P20-Y23 PolarHBondContact O-N 3.07Å; Y23-C26 WeakPolarHBondContact O-CB 3.49Å; Y23-C26 PolarHBondContact O-N 2.96Å; Y23-Q27 HydrophobicContact CE1-CG 4.33Å; Y23-Q27 WeakPolarHBondContact O-CG 3.33Å; Y23-Q27 PolarHBondContact O-N 3.31Å |
| 24 | V | 63.5 | Low | 72 | Confident | 83 Ų | 83 | 67.2 Ų | 67.2 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.8 | -47.6 | 174.8 | 171.2 | 0 | 0 | 0 | 0 | 110.1 | P20 N22 C26 Q27 Q28 | P20-V24 WeakPolarHBondContact O-CB 3.32Å; P20-V24 WeakPolarHBondContact O-CG2 3.46Å; P20-V24 PolarHBondContact O-N 3.44Å; N22-V24 PolarHBondContact O-N 2.91Å; V24-C26 VanDerWaalsContact C-N 3.31Å; V24-C26 PolarHBondContact O-N 2.87Å; V24-Q27 PolarHBondContact O-N 3.09Å; V24-Q28 WeakPolarHBondContact O-CG 3.42Å; V24-Q28 PolarHBondContact O-N 3.47Å; V24-Q28 VanDerWaalsContact O-N 3.08Å |
| 25 | R | 59.2 | Low | 72.5 | Confident | 121 Ų | 121 | 67 Ų | 67 | 46% | 0.457 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.7 | -37.1 | 175.5 | -75.1 | 173.3 | 176.2 | 176.3 | -3.7 | 113.1 | V21 N22 Q27 S704 | V21-R25 WeakPolarHBondContact O-CB 3.19Å; V21-R25 VanDerWaalsContact O-CG 3.25Å; V21-R25 WeakPolarHBondContact O-CG 3.35Å; V21-R25 PolarHBondContact O-N 2.74Å; N22-R25 CarbonylContact O-C 3.52Å; N22-R25 PolarHBondContact O-N 2.83Å; R25-Q27 PolarHBondContact O-N 2.95Å; R25-S704 VanDerWaalsContact O-CB 3.25Å; R25-S704 WeakPolarHBondContact O-CB 3.27Å; R25-S704 PolarHBondContact O-OG 3.18Å |
| 26 | C | 59.8 | Low | 73 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.6 | -36.9 | 173 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | N22 Y23 V24 Y705 | N22-C26 PolarHBondContact O-N 3.43Å; N22-C26 PolarHBondContact O-SG 3.48Å; Y23-C26 WeakPolarHBondContact O-CB 3.49Å; Y23-C26 PolarHBondContact O-N 2.96Å; V24-C26 VanDerWaalsContact C-N 3.31Å; V24-C26 PolarHBondContact O-N 2.87Å; C26-Y705 HydrophobicContact CB-CE2 4.16Å; C26-Y705 PolarHBondContact SG-OH 2.79Å |
| 27 | Q | 63.9 | Low | 74.1 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 23% | 0.229 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -94.3 | -11.8 | -169.3 | -66.6 | -64.4 | -23.2 | 0 | 0 | 114 | Y23 V24 R25 I29 N30 | Y23-Q27 HydrophobicContact CE1-CG 4.33Å; Y23-Q27 WeakPolarHBondContact O-CG 3.33Å; Y23-Q27 PolarHBondContact O-N 3.31Å; V24-Q27 PolarHBondContact O-N 3.09Å; R25-Q27 PolarHBondContact O-N 2.95Å; Q27-I29 PolarHBondContact O-N 3.38Å; Q27-N30 PolarHBondContact O-ND2 3.01Å |
| 28 | Q | 70.5 | Confident | 74.9 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 23% | 0.229 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -55.4 | -32.6 | -178.4 | -83 | 173.9 | -28.1 | 0 | 0 | 114.5 | V24 L33 S747 C749 | V24-Q28 WeakPolarHBondContact O-CG 3.42Å; V24-Q28 PolarHBondContact O-N 3.47Å; V24-Q28 VanDerWaalsContact O-N 3.08Å; Q28-L33 WeakPolarHBondContact O-CD1 3.41Å; Q28-S747 PolarHBondContact NE2-O 3.45Å; Q28-S747 PolarHBondContact OE1-O 3.06Å; Q28-C749 WeakPolarHBondContact O-CB 3.39Å |
| 29 | I | 80.6 | Confident | 76.5 | Confident | 10 Ų | 10 | 53.7 Ų | 53.7 | 5% | 0.051 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -134.6 | 102.4 | -176.4 | -61.1 | 169.3 | 0 | 0 | 0 | 109 | Q27 V34 F702 G703 Q707 Y708 C749 | Q27-I29 PolarHBondContact O-N 3.38Å; I29-V34 HydrophobicContact CG2-CG2 4.12Å; I29-F702 HydrophobicContact CD1-CD2 4Å; I29-F702 HydrophobicContact CD1-CE2 3.51Å; I29-F702 HydrophobicContact CD1-CZ 4.02Å; I29-F702 HydrophobicContact CG1-CE2 4.37Å; I29-F702 HydrophobicContact CG1-CZ 4.41Å; I29-F702 HydrophobicContact CG2-CD1 4.48Å; I29-F702 HydrophobicContact CG2-CE1 4.02Å; I29-F702 HydrophobicContact CG2-CE2 4.46Å; I29-F702 HydrophobicContact CG2-CZ 4.01Å; I29-G703 VanDerWaalsContact CD1-CA 3.5Å; I29-Q707 PolarHBondContact O-NE2 3.3Å; I29-Y708 HydrophobicContact CG2-CD2 3.92Å; I29-Y708 HydrophobicContact CG2-CE2 3.98Å; I29-C749 HydrophobicContact CG1-CB 3.78Å |
| 30 | N | 81.8 | Confident | 77.4 | Confident | 52 Ų | 52 | 54.4 Ų | 54.4 | 28% | 0.278 | 27% | 0.274 | S | S | . | . | trans | -126.3 | 170.5 | 177.4 | 65 | 50.5 | 0 | 0 | 0 | 110.6 | Q27 H32 L33 V34 | Q27-N30 PolarHBondContact O-ND2 3.01Å; N30-H32 PolarHBondContact O-N 3.45Å; N30-H32 VanDerWaalsContact O-N 3.14Å; N30-H32 VanDerWaalsContact OD1-CB 3.3Å; N30-H32 WeakPolarHBondContact OD1-CB 3.35Å; N30-H32 PolarHBondContact OD1-N 3.04Å; N30-L33 PolarHBondContact O-N 2.93Å; N30-L33 VanDerWaalsContact O-N 3.13Å; N30-L33 PolarHBondContact OD1-N 3.41Å; N30-L33 VanDerWaalsContact OD1-N 3.1Å; N30-V34 WeakPolarHBondContact O-CG2 3.44Å; N30-V34 PolarHBondContact O-N 3.38Å | ||
| 31 | Q | 86 | Confident | 78.8 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.8 | -33.5 | -175.9 | -176.8 | 175.6 | -1.8 | 0 | 0 | 113.1 | N35 Y708 M729 | Q31-N35 VanDerWaalsContact O-CB 3.32Å; Q31-N35 WeakPolarHBondContact O-CB 3.29Å; Q31-N35 PolarHBondContact O-N 3.09Å; Q31-N35 PolarHBondContact O-ND2 3.21Å; Q31-N35 PolarHBondContact O-OD1 3.44Å; Q31-Y708 VanDerWaalsContact CA-OH 3.25Å; Q31-Y708 WeakPolarHBondContact CA-OH 3.32Å; Q31-Y708 PolarHBondContact N-OH 3Å; Q31-Y708 VanDerWaalsContact N-OH 3.12Å; Q31-M729 HydrophobicContact CG-CE 3.7Å |
| 32 | H | 84.8 | Confident | 80.4 | Confident | 97 Ų | 97 | 50.2 Ų | 50.2 | 45% | 0.449 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.2 | -43.4 | 179.8 | -174.4 | -106.8 | 0 | 0 | 0 | 111.9 | N30 N35 R36 E768 | N30-H32 PolarHBondContact O-N 3.45Å; N30-H32 VanDerWaalsContact O-N 3.14Å; N30-H32 VanDerWaalsContact OD1-CB 3.3Å; N30-H32 WeakPolarHBondContact OD1-CB 3.35Å; N30-H32 PolarHBondContact OD1-N 3.04Å; H32-N35 PolarHBondContact O-N 3.28Å; H32-R36 WeakPolarHBondContact O-CG 3.45Å; H32-R36 PolarHBondContact O-N 2.94Å; H32-E768 IonicContact CE1-OE1 3.77Å; H32-E768 PolarHBondContact CE1-OE1 3.08Å; H32-E768 IonicContact NE2-OE1 3.19Å |
| 33 | L | 88.2 | Confident | 82.2 | Confident | 37 Ų | 37 | 46.8 Ų | 46.8 | 19% | 0.194 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | 175.4 | -63.4 | 174.2 | 0 | 0 | 0 | 111.8 | Q28 N30 N35 R36 L37 P765 | Q28-L33 WeakPolarHBondContact O-CD1 3.41Å; N30-L33 PolarHBondContact O-N 2.93Å; N30-L33 VanDerWaalsContact O-N 3.13Å; N30-L33 PolarHBondContact OD1-N 3.41Å; N30-L33 VanDerWaalsContact OD1-N 3.1Å; L33-N35 VanDerWaalsContact C-N 3.31Å; L33-N35 PolarHBondContact O-N 3.47Å; L33-R36 CarbonylContact O-C 3.51Å; L33-R36 WeakPolarHBondContact O-CA 3.5Å; L33-R36 PolarHBondContact O-N 2.71Å; L33-L37 PolarHBondContact O-N 3.11Å; L33-P765 HydrophobicContact CB-CB 4.43Å; L33-P765 HydrophobicContact CB-CG 3.95Å; L33-P765 HydrophobicContact CD2-CB 3.99Å; L33-P765 HydrophobicContact CD2-CG 4.02Å |
| 34 | V | 89.1 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.7 | -39 | 174.8 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | I29 N30 R36 L37 F702 Y708 I720 M729 R730 | I29-V34 HydrophobicContact CG2-CG2 4.12Å; N30-V34 WeakPolarHBondContact O-CG2 3.44Å; N30-V34 PolarHBondContact O-N 3.38Å; V34-R36 PolarHBondContact O-N 3.34Å; V34-L37 HydrophobicContact CG1-CD1 4.43Å; V34-F702 HydrophobicContact CG2-CE1 4.07Å; V34-Y708 HydrophobicContact CG2-CD2 3.78Å; V34-Y708 HydrophobicContact CG2-CE1 4.43Å; V34-Y708 HydrophobicContact CG2-CE2 3.56Å; V34-Y708 HydrophobicContact CG2-CG 4.32Å; V34-I720 HydrophobicContact CG1-CD1 4.14Å; V34-I720 HydrophobicContact CG1-CG2 3.93Å; V34-M729 HydrophobicContact CG1-CB 4.49Å; V34-R730 WeakPolarHBondContact O-CD 3.49Å; V34-R730 PolarHBondContact O-NH1 2.85Å |
| 35 | N | 88.7 | Confident | 85.2 | Confident | 75 Ų | 75 | 49.1 Ų | 49.1 | 40% | 0.401 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.7 | -13.8 | 173.8 | -72.7 | -6.7 | 0 | 0 | 0 | 113.8 | Q31 H32 L33 R730 | Q31-N35 VanDerWaalsContact O-CB 3.32Å; Q31-N35 WeakPolarHBondContact O-CB 3.29Å; Q31-N35 PolarHBondContact O-N 3.09Å; Q31-N35 PolarHBondContact O-ND2 3.21Å; Q31-N35 PolarHBondContact O-OD1 3.44Å; H32-N35 PolarHBondContact O-N 3.28Å; L33-N35 VanDerWaalsContact C-N 3.31Å; L33-N35 PolarHBondContact O-N 3.47Å; N35-R730 PolarHBondContact O-NH1 2.9Å; N35-R730 PolarHBondContact O-NH2 2.66Å |
| 36 | R | 89.7 | Confident | 87 | Confident | 60 Ų | 60 | 43.8 Ų | 43.8 | 23% | 0.226 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -105.6 | -20.1 | 179 | -76 | 175.1 | 54.9 | -168.7 | -15.3 | 115.3 | H32 L33 V34 G38 P765 N766 E768 | H32-R36 WeakPolarHBondContact O-CG 3.45Å; H32-R36 PolarHBondContact O-N 2.94Å; L33-R36 CarbonylContact O-C 3.51Å; L33-R36 WeakPolarHBondContact O-CA 3.5Å; L33-R36 PolarHBondContact O-N 2.71Å; V34-R36 PolarHBondContact O-N 3.34Å; R36-G38 PolarHBondContact O-N 3.28Å; R36-G38 VanDerWaalsContact O-N 3.1Å; R36-P765 HydrophobicContact CB-CB 3.99Å; R36-N766 PolarHBondContact NE-O 2.91Å; R36-N766 PolarHBondContact NH2-O 3.21Å; R36-N766 PolarHBondContact O-N 3.32Å; R36-E768 IonicContact CZ-OE1 3.85Å; R36-E768 IonicContact NH1-OE1 3.58Å; R36-E768 PolarHBondContact NH1-OE1 2.87Å |
| 37 | L | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -37.2 | 111.9 | 171.9 | -72 | 172.6 | 0 | 0 | 0 | 114.2 | L33 V34 F702 I720 R730 L732 L751 S764 P765 | L33-L37 PolarHBondContact O-N 3.11Å; V34-L37 HydrophobicContact CG1-CD1 4.43Å; L37-F702 HydrophobicContact CD1-CE1 4.03Å; L37-F702 HydrophobicContact CD1-CZ 4.33Å; L37-I720 HydrophobicContact CD1-CD1 3.65Å; L37-R730 VanDerWaalsContact C-NH1 3.34Å; L37-R730 PolarHBondContact O-NH1 2.67Å; L37-R730 PolarHBondContact O-NH2 2.84Å; L37-R730 VanDerWaalsContact O-NH2 3.13Å; L37-L732 HydrophobicContact CB-CD1 4.12Å; L37-L751 HydrophobicContact CD1-CD1 4.26Å; L37-S764 CarbonylContact C-O 3.14Å; L37-S764 WeakPolarHBondContact CA-O 3.2Å; L37-P765 HydrophobicContact CD2-CG 4.13Å |
| 38 | G | 92.5 | Very high | 90.3 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | -172.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | R36 W763 S764 N766 | R36-G38 PolarHBondContact O-N 3.28Å; R36-G38 VanDerWaalsContact O-N 3.1Å; G38-W763 WeakPolarHBondContact O-CA 3.22Å; G38-W763 WeakPolarHBondContact O-CB 3.49Å; G38-W763 VanDerWaalsContact O-CE3 3.32Å; G38-S764 PolarHBondContact N-O 3.06Å; G38-S764 PolarHBondContact O-N 3.48Å; G38-N766 WeakPolarHBondContact CA-OD1 3.13Å; G38-N766 PolarHBondContact N-OD1 3.18Å |
| 39 | L | 93.8 | Very high | 91.5 | Very high | 46 Ų | 46 | 47.5 Ų | 47.5 | 24% | 0.241 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 119.6 | 170.7 | 177.9 | 70.2 | 0 | 0 | 0 | 107.9 | T41 R761 W763 | L39-T41 WeakPolarHBondContact CD1-O 3.27Å; L39-R761 HydrophobicContact CD1-CB 3.76Å; L39-R761 HydrophobicContact CD1-CG 4.05Å; L39-W763 HydrophobicContact CB-CE3 4.13Å; L39-W763 HydrophobicContact CB-CH2 4.17Å; L39-W763 HydrophobicContact CB-CZ3 3.8Å; L39-W763 HydrophobicContact CD1-CD2 4.38Å; L39-W763 HydrophobicContact CD1-CE3 4.49Å; L39-W763 HydrophobicContact CD1-CH2 4.02Å; L39-W763 HydrophobicContact CD1-CZ2 3.92Å; L39-W763 HydrophobicContact CD1-CZ3 4.33Å |
| 40 | E | 92 | Very high | 92.3 | Very high | 66 Ų | 66 | 47 Ų | 47 | 31% | 0.308 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -47.2 | 174.5 | -169.1 | -169.7 | 138.4 | 0 | 0 | 111.1 | R79 L762 S764 | E40-R79 IonicContact OE1-CZ 2.84Å; E40-R79 IonicContact OE1-NE 3.9Å; E40-R79 IonicContact OE1-NH2 3.84Å; E40-R79 PolarHBondContact OE1-NH2 3.32Å; E40-L762 PolarHBondContact N-O 2.9Å; E40-S764 VanDerWaalsContact OE2-CB 3.26Å; E40-S764 WeakPolarHBondContact OE2-CB 3.45Å; E40-S764 PolarHBondContact OE2-OG 3.41Å |
| 41 | T | 94.4 | Very high | 93 | Very high | 29 Ų | 29 | 45 Ų | 45 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 161.5 | -179.9 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | L39 L43 R79 L762 | L39-T41 WeakPolarHBondContact CD1-O 3.27Å; T41-L43 HydrophobicContact CG2-CD2 4.1Å; T41-R79 HydrophobicContact CG2-CG 4.12Å; T41-L762 HydrophobicContact CG2-CB 3.88Å; T41-L762 HydrophobicContact CG2-CD1 3.84Å; T41-L762 HydrophobicContact CG2-CG 4.08Å; T41-L762 PolarHBondContact N-O 3.11Å; T41-L762 PolarHBondContact O-N 3.4Å |
| 42 | S | 95.8 | Very high | 93.6 | Very high | 38 Ų | 38 | 40.2 Ų | 40.2 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 112.9 | 169.7 | -59.8 | 0 | 0 | 0 | 0 | 109.4 | V760 | S42-V760 CarbonylContact C-O 3.57Å; S42-V760 WeakPolarHBondContact CA-O 3.36Å |
| 43 | L | 97.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 121.6 | 177.1 | -50.1 | 177.8 | 0 | 0 | 0 | 109.3 | T41 W74 R79 V759 V760 L762 | T41-L43 HydrophobicContact CG2-CD2 4.1Å; L43-W74 HydrophobicContact CB-CD2 4.14Å; L43-W74 HydrophobicContact CB-CE3 3.77Å; L43-W74 HydrophobicContact CB-CH2 4.03Å; L43-W74 HydrophobicContact CB-CZ2 4.36Å; L43-W74 HydrophobicContact CB-CZ3 3.72Å; L43-W74 HydrophobicContact CD1-CB 4.04Å; L43-W74 HydrophobicContact CD1-CD2 3.84Å; L43-W74 HydrophobicContact CD1-CE3 3.97Å; L43-W74 HydrophobicContact CD1-CG 3.88Å; L43-W74 HydrophobicContact CG-CE3 4.32Å; L43-R79 HydrophobicContact CD2-CB 4.05Å; L43-V759 WeakPolarHBondContact O-CA 3.49Å; L43-V759 WeakPolarHBondContact O-CB 3.43Å; L43-V760 HydrophobicContact CB-CB 4.26Å; L43-V760 HydrophobicContact CD1-CB 4.44Å; L43-V760 HydrophobicContact CD1-CG1 4.46Å; L43-V760 PolarHBondContact N-O 3.06Å; L43-V760 PolarHBondContact O-N 2.81Å; L43-L762 HydrophobicContact CD1-CD1 4.22Å; L43-L762 HydrophobicContact CD1-CG 4.28Å |
| 44 | Q | 96.1 | Very high | 94.6 | Very high | 151 Ų | 151 | 35.3 Ų | 35.3 | 71% | 0.706 | 19% | 0.19 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 139.2 | -178 | -59.5 | -173.6 | 3 | 0 | 0 | 111 | W74 V759 | Q44-W74 WeakPolarHBondContact O-CH2 3.42Å; Q44-V759 HydrophobicContact CG-CG1 4Å |
| 45 | G | 93.7 | Very high | 94.9 | Very high | 27 Ų | 27 | 36.1 Ų | 36.1 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | trans | 165.6 | -22.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | H47 | G45-H47 PolarHBondContact O-CE1 3.41Å; G45-H47 VanDerWaalsContact O-CE1 3.22Å; G45-H47 PolarHBondContact O-ND1 3.19Å; G45-H47 VanDerWaalsContact O-ND1 3.16Å | ||
| 46 | H | 97.4 | Very high | 95 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | trans | -80.3 | 154.6 | 169.9 | -79.5 | -61 | 0 | 0 | 0 | 112 | V50 S64 S66 D68 R70 S758 | H46-V50 HydrophobicContact CB-CG2 3.7Å; H46-V50 VanDerWaalsContact CD2-CG2 3.5Å; H46-V50 WeakPolarHBondContact CD2-CG2 3.4Å; H46-S64 PolarHBondContact CD2-OG 3.03Å; H46-S64 PolarHBondContact NE2-OG 3.03Å; H46-S66 VanDerWaalsContact CE1-CB 3.44Å; H46-S66 WeakPolarHBondContact CE1-CB 3.37Å; H46-S66 WeakPolarHBondContact ND1-CB 3.41Å; H46-D68 VanDerWaalsContact CA-OD2 3.24Å; H46-D68 WeakPolarHBondContact CA-OD2 3.44Å; H46-D68 IonicContact CE1-OD1 3.09Å; H46-D68 IonicContact CG-OD2 3.5Å; H46-D68 IonicContact ND1-OD1 3.7Å; H46-D68 PolarHBondContact ND1-OD1 2.95Å; H46-D68 IonicContact ND1-OD2 3.64Å; H46-D68 PolarHBondContact ND1-OD2 3.26Å; H46-R70 PolarHBondContact CE1-O 3.37Å; H46-S758 VanDerWaalsContact O-CB 3.28Å; H46-S758 WeakPolarHBondContact O-CB 3.46Å; H46-S758 PolarHBondContact O-OG 2.79Å | ||
| 47 | H | 96.6 | Very high | 94.8 | Very high | 142 Ų | 142 | 35.3 Ų | 35.3 | 66% | 0.657 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -117.8 | 9.7 | -176.7 | -60.1 | 67.9 | 0 | 0 | 0 | 113.3 | G45 D68 | G45-H47 PolarHBondContact O-CE1 3.41Å; G45-H47 VanDerWaalsContact O-CE1 3.22Å; G45-H47 PolarHBondContact O-ND1 3.19Å; G45-H47 VanDerWaalsContact O-ND1 3.16Å; H47-D68 HydrophobicContact CB-CB 4.11Å; H47-D68 PolarHBondContact N-OD2 2.94Å; H47-D68 IonicContact ND1-OD2 3.22Å |
| 48 | G | 95.3 | Very high | 94.5 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -155.2 | -177.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S66 S758 | G48-S66 PolarHBondContact O-OG 2.97Å; G48-S66 VanDerWaalsContact O-OG 3.07Å; G48-S758 VanDerWaalsContact O-CA 3.32Å; G48-S758 WeakPolarHBondContact O-CA 3.26Å; G48-S758 WeakPolarHBondContact O-CB 3.4Å |
| 49 | C | 95.8 | Very high | 94.4 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | trans | -52.7 | 141.8 | -179.2 | -44 | 0 | 0 | 0 | 0 | 111.1 | S66 D67 G755 | C49-S66 CarbonylContact O-C 3.57Å; C49-S66 WeakPolarHBondContact O-CA 3.42Å; C49-S66 VanDerWaalsContact O-CB 3.29Å; C49-S66 WeakPolarHBondContact O-CB 3.42Å; C49-S66 PolarHBondContact O-OG 3.07Å; C49-D67 HydrophobicContact CB-CB 4.5Å; C49-D67 WeakPolarHBondContact CB-OD2 3.36Å; C49-D67 PolarHBondContact O-N 3.42Å; C49-D67 PolarHBondContact SG-OD2 3.42Å; C49-G755 CarbonylContact C-O 3.59Å; C49-G755 WeakPolarHBondContact CA-O 3.44Å; C49-G755 WeakPolarHBondContact CB-O 3.29Å | ||
| 50 | V | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 101.8 | -179.1 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | H46 L53 S754 G755 V760 | H46-V50 HydrophobicContact CB-CG2 3.7Å; H46-V50 VanDerWaalsContact CD2-CG2 3.5Å; H46-V50 WeakPolarHBondContact CD2-CG2 3.4Å; V50-L53 HydrophobicContact CG1-CD2 4.2Å; V50-S754 WeakPolarHBondContact O-CB 3.21Å; V50-S754 PolarHBondContact O-OG 3.05Å; V50-G755 PolarHBondContact N-O 2.89Å; V50-G755 PolarHBondContact O-N 3.47Å; V50-V760 HydrophobicContact CG1-CG2 4.01Å |
| 51 | N | 97.1 | Very high | 94.4 | Very high | 9 Ų | 9 | 39.1 Ų | 39.1 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -30.5 | -165 | -62.3 | -43.9 | 0 | 0 | 0 | 113.8 | G65 D67 I93 F94 I696 | N51-G65 PolarHBondContact N-O 3.16Å; N51-D67 PolarHBondContact ND2-OD1 2.98Å; N51-I93 WeakPolarHBondContact CB-O 3.49Å; N51-I93 PolarHBondContact ND2-O 3.17Å; N51-F94 HydrophobicContact CB-CD1 4.18Å; N51-I696 HydrophobicContact CB-CD1 3.87Å |
| 52 | C | 97.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 142.7 | -174.4 | 60 | 0 | 0 | 0 | 0 | 112.3 | S64 G65 F94 V96 | C52-S64 WeakPolarHBondContact O-CA 3.5Å; C52-G65 PolarHBondContact O-N 3.28Å; C52-F94 WeakPolarHBondContact CB-O 3.37Å; C52-V96 HydrophobicContact CB-CG1 4.36Å |
| 53 | L | 98 | Very high | 94.6 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 149.2 | 172.6 | -59.6 | 174.6 | 0 | 0 | 0 | 109 | V50 L62 A63 C741 Q743 A752 V760 | V50-L53 HydrophobicContact CG1-CD2 4.2Å; L53-L62 HydrophobicContact CB-CD1 4.19Å; L53-A63 CarbonylContact C-O 3.28Å; L53-A63 VanDerWaalsContact CA-O 3.31Å; L53-A63 WeakPolarHBondContact CA-O 3.48Å; L53-C741 HydrophobicContact CD1-CB 4.49Å; L53-C741 HydrophobicContact CG-CB 4.37Å; L53-C741 PolarHBondContact N-SG 3.41Å; L53-Q743 HydrophobicContact CB-CB 4.3Å; L53-Q743 HydrophobicContact CB-CG 4.09Å; L53-A752 HydrophobicContact CD1-CB 3.87Å; L53-V760 HydrophobicContact CD1-CG1 4.05Å; L53-V760 HydrophobicContact CD2-CB 4.47Å; L53-V760 HydrophobicContact CD2-CG1 3.78Å; L53-V760 HydrophobicContact CD2-CG2 3.8Å |
| 54 | E | 96.9 | Very high | 94.7 | Very high | 29 Ų | 29 | 35.7 Ų | 35.7 | 14% | 0.136 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 131.4 | 171 | -173.9 | 74.9 | 168.6 | 0 | 0 | 110 | A63 V96 K97 F98 | E54-A63 PolarHBondContact N-O 3.32Å; E54-A63 PolarHBondContact O-N 3.45Å; E54-V96 HydrophobicContact CB-CG1 3.9Å; E54-K97 VanDerWaalsContact CD-CD 3.45Å; E54-K97 HydrophobicContact CG-CD 4.11Å; E54-K97 WeakPolarHBondContact OE1-CD 3.39Å; E54-K97 WeakPolarHBondContact OE1-CE 3.37Å; E54-K97 IonicContact OE1-NZ 3.16Å; E54-K97 PolarHBondContact OE1-NZ 3.21Å; E54-K97 IonicContact OE2-NZ 2.84Å; E54-K97 PolarHBondContact OE2-NZ 3.19Å; E54-F98 HydrophobicContact CB-CD2 4.47Å; E54-F98 HydrophobicContact CG-CD2 4.04Å; E54-F98 WeakPolarHBondContact O-CE2 3.19Å |
| 55 | W | 94.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 28.5 Ų | 28.5 | 6% | 0.064 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 144.2 | 168.3 | -67.6 | 104.8 | 0 | 0 | 0 | 110.4 | G59 L62 P76 Q743 P744 H745 L750 A752 L762 | W55-G59 WeakPolarHBondContact CZ3-O 3.37Å; W55-L62 HydrophobicContact CD2-CD1 3.8Å; W55-L62 HydrophobicContact CE3-CB 3.98Å; W55-L62 HydrophobicContact CE3-CD1 4.08Å; W55-L62 HydrophobicContact CG-CD1 4.21Å; W55-L62 HydrophobicContact CH2-CB 4.28Å; W55-L62 HydrophobicContact CH2-CD1 4.45Å; W55-L62 HydrophobicContact CH2-CD2 4.28Å; W55-L62 HydrophobicContact CZ2-CD1 4.22Å; W55-L62 HydrophobicContact CZ2-CD2 4.4Å; W55-L62 HydrophobicContact CZ3-CB 3.81Å; W55-L62 HydrophobicContact CZ3-CD1 4.38Å; W55-P76 HydrophobicContact CH2-CB 3.91Å; W55-P76 HydrophobicContact CH2-CG 4.3Å; W55-P76 HydrophobicContact CZ3-CB 3.95Å; W55-P76 HydrophobicContact CZ3-CG 3.88Å; W55-Q743 PolarHBondContact NE1-O 3.34Å; W55-Q743 VanDerWaalsContact NE1-O 3.09Å; W55-P744 PolarHBondContact NE1-O 2.99Å; W55-H745 AromaticContact CE3-CD2 3.83Å; W55-H745 AromaticContact CH2-CD2 3.83Å; W55-H745 HydrophobicContact CZ2-CB 4.16Å; W55-H745 AromaticContact CZ3-CD2 3.68Å; W55-L750 HydrophobicContact CH2-CD2 3.74Å; W55-L750 HydrophobicContact CZ2-CD2 4.08Å; W55-A752 HydrophobicContact CZ2-CB 3.8Å; W55-L762 HydrophobicContact CH2-CD2 4.31Å; W55-L762 HydrophobicContact CZ2-CD2 4.45Å |
| 56 | N | 91.9 | Very high | 95 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.011 | 14% | 0.142 | C | C | . | . | trans | -69.2 | 172.3 | 164 | 74.4 | -29.4 | 0 | 0 | 0 | 110.9 | C58 G59 S60 Y61 F98 E104 | N56-C58 VanDerWaalsContact C-N 3.3Å; N56-C58 PolarHBondContact ND2-SG 3.04Å; N56-C58 PolarHBondContact O-N 3.14Å; N56-G59 PolarHBondContact O-N 3.25Å; N56-G59 VanDerWaalsContact O-N 3.07Å; N56-G59 VanDerWaalsContact OD1-CA 3.23Å; N56-G59 WeakPolarHBondContact OD1-CA 3.35Å; N56-G59 PolarHBondContact OD1-N 3.25Å; N56-S60 PolarHBondContact ND2-OG 3.3Å; N56-S60 PolarHBondContact OD1-N 3.43Å; N56-Y61 PolarHBondContact N-O 3.04Å; N56-Y61 WeakPolarHBondContact ND2-CD2 3.46Å; N56-Y61 PolarHBondContact OD1-N 2.71Å; N56-Y61 PolarHBondContact OD1-O 3.32Å; N56-F98 HydrophobicContact CB-CD1 4.22Å; N56-F98 HydrophobicContact CB-CD2 3.91Å; N56-F98 HydrophobicContact CB-CE1 4.23Å; N56-F98 HydrophobicContact CB-CE2 3.92Å; N56-F98 HydrophobicContact CB-CG 4.07Å; N56-F98 HydrophobicContact CB-CZ 4.08Å; N56-E104 WeakPolarHBondContact CB-OE1 3.4Å; N56-E104 PolarHBondContact ND2-OE1 3.14Å; N56-E104 PolarHBondContact ND2-OE2 3.32Å | ||
| 57 | E | 85.8 | Confident | 95 | Very high | 115 Ų | 115 | 28.9 Ų | 28.9 | 54% | 0.537 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -32.7 | -166.3 | -173.2 | 171.5 | 165.5 | 0 | 0 | 112.9 | S100 E104 | E57-S100 WeakPolarHBondContact OE2-CB 3.38Å; E57-E104 PolarHBondContact N-OE1 3.3Å; E57-E104 VanDerWaalsContact N-OE1 3.16Å |
| 58 | C | 84.4 | Confident | 95 | Very high | 73 Ų | 73 | 23.3 Ų | 23.3 | 49% | 0.493 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -14.5 | 175.5 | 66.1 | 0 | 0 | 0 | 0 | 114.3 | N56 S60 | N56-C58 VanDerWaalsContact C-N 3.3Å; N56-C58 PolarHBondContact ND2-SG 3.04Å; N56-C58 PolarHBondContact O-N 3.14Å; C58-S60 PolarHBondContact SG-OG 3.17Å |
| 59 | G | 90.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 83.8 | 3.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | W55 N56 Y61 H745 | W55-G59 WeakPolarHBondContact CZ3-O 3.37Å; N56-G59 PolarHBondContact O-N 3.25Å; N56-G59 VanDerWaalsContact O-N 3.07Å; N56-G59 VanDerWaalsContact OD1-CA 3.23Å; N56-G59 WeakPolarHBondContact OD1-CA 3.35Å; N56-G59 PolarHBondContact OD1-N 3.25Å; G59-Y61 PolarHBondContact O-N 3.26Å; G59-H745 WeakPolarHBondContact CA-NE2 3.48Å; G59-H745 PolarHBondContact O-NE2 3.36Å; G59-H745 VanDerWaalsContact O-NE2 3.08Å |
| 60 | S | 92 | Very high | 95.2 | Very high | 37 Ų | 37 | 31.4 Ų | 31.4 | 26% | 0.259 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -65.3 | -24.4 | 177.8 | 69.2 | 0 | 0 | 0 | 0 | 114.1 | N56 C58 P76 | N56-S60 PolarHBondContact ND2-OG 3.3Å; N56-S60 PolarHBondContact OD1-N 3.43Å; C58-S60 PolarHBondContact SG-OG 3.17Å; S60-P76 WeakPolarHBondContact O-CD 3.36Å |
| 61 | Y | 94.4 | Very high | 95.2 | Very high | 90 Ų | 90 | 31.4 Ų | 31.4 | 35% | 0.353 | 15% | 0.148 | S | C | . | . | trans | -131.9 | 142.2 | -177.3 | -54.6 | -51.4 | 0 | 0 | 0 | 111.5 | N56 G59 I73 W74 L82 | N56-Y61 PolarHBondContact N-O 3.04Å; N56-Y61 WeakPolarHBondContact ND2-CD2 3.46Å; N56-Y61 PolarHBondContact OD1-N 2.71Å; N56-Y61 PolarHBondContact OD1-O 3.32Å; G59-Y61 PolarHBondContact O-N 3.26Å; Y61-I73 HydrophobicContact CG-CG2 4.47Å; Y61-W74 WeakPolarHBondContact CA-O 3.46Å; Y61-L82 HydrophobicContact CD1-CD1 3.54Å; Y61-L82 HydrophobicContact CE1-CD1 3.38Å | ||
| 62 | L | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.2 | 173.1 | -178.9 | 64.3 | 0 | 0 | 0 | 108.8 | L53 W55 I73 W74 A752 V760 L762 | L53-L62 HydrophobicContact CB-CD1 4.19Å; W55-L62 HydrophobicContact CD2-CD1 3.8Å; W55-L62 HydrophobicContact CE3-CB 3.98Å; W55-L62 HydrophobicContact CE3-CD1 4.08Å; W55-L62 HydrophobicContact CG-CD1 4.21Å; W55-L62 HydrophobicContact CH2-CB 4.28Å; W55-L62 HydrophobicContact CH2-CD1 4.45Å; W55-L62 HydrophobicContact CH2-CD2 4.28Å; W55-L62 HydrophobicContact CZ2-CD1 4.22Å; W55-L62 HydrophobicContact CZ2-CD2 4.4Å; W55-L62 HydrophobicContact CZ3-CB 3.81Å; W55-L62 HydrophobicContact CZ3-CD1 4.38Å; L62-I73 WeakPolarHBondContact O-CA 3.07Å; L62-W74 HydrophobicContact CB-CB 4.31Å; L62-W74 PolarHBondContact N-O 2.94Å; L62-W74 VanDerWaalsContact O-CD1 3.3Å; L62-W74 PolarHBondContact O-N 3.43Å; L62-A752 HydrophobicContact CD1-CB 4.25Å; L62-A752 HydrophobicContact CD2-CB 3.74Å; L62-V760 HydrophobicContact CD2-CG1 3.79Å; L62-L762 HydrophobicContact CD2-CD2 4.15Å |
| 63 | A | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 140.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L53 E54 L71 I72 I73 V96 F98 | L53-A63 CarbonylContact C-O 3.28Å; L53-A63 VanDerWaalsContact CA-O 3.31Å; L53-A63 WeakPolarHBondContact CA-O 3.48Å; E54-A63 PolarHBondContact N-O 3.32Å; E54-A63 PolarHBondContact O-N 3.45Å; A63-L71 HydrophobicContact CB-CD1 4.24Å; A63-I72 CarbonylContact C-O 3.58Å; A63-I72 WeakPolarHBondContact CA-O 3.41Å; A63-I73 HydrophobicContact CB-CD1 3.71Å; A63-V96 HydrophobicContact CB-CG1 4.32Å; A63-V96 HydrophobicContact CB-CG2 3.93Å; A63-F98 HydrophobicContact CB-CD2 4.39Å; A63-F98 HydrophobicContact CB-CE2 3.54Å; A63-F98 HydrophobicContact CB-CZ 3.75Å |
| 64 | S | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140.9 | 174 | 62.7 | 0 | 0 | 0 | 0 | 112.8 | H46 C52 L71 I72 W74 | H46-S64 PolarHBondContact CD2-OG 3.03Å; H46-S64 PolarHBondContact NE2-OG 3.03Å; C52-S64 WeakPolarHBondContact O-CA 3.5Å; S64-L71 WeakPolarHBondContact O-CA 3.45Å; S64-I72 PolarHBondContact N-O 3.06Å; S64-I72 PolarHBondContact O-N 3.33Å; S64-I72 VanDerWaalsContact O-N 3.08Å; S64-W74 PolarHBondContact OG-NE1 3.07Å |
| 65 | G | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N51 C52 | N51-G65 PolarHBondContact N-O 3.16Å; C52-G65 PolarHBondContact O-N 3.28Å |
| 66 | S | 98 | Very high | 95 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 164.9 | -168 | 175.6 | 0 | 0 | 0 | 0 | 113.8 | H46 G48 C49 D68 R69 I93 | H46-S66 VanDerWaalsContact CE1-CB 3.44Å; H46-S66 WeakPolarHBondContact CE1-CB 3.37Å; H46-S66 WeakPolarHBondContact ND1-CB 3.41Å; G48-S66 PolarHBondContact O-OG 2.97Å; G48-S66 VanDerWaalsContact O-OG 3.07Å; C49-S66 CarbonylContact O-C 3.57Å; C49-S66 WeakPolarHBondContact O-CA 3.42Å; C49-S66 VanDerWaalsContact O-CB 3.29Å; C49-S66 WeakPolarHBondContact O-CB 3.42Å; C49-S66 PolarHBondContact O-OG 3.07Å; S66-D68 WeakPolarHBondContact CB-OD1 3.44Å; S66-D68 PolarHBondContact O-N 3.4Å; S66-D68 PolarHBondContact OG-N 3.39Å; S66-R69 PolarHBondContact O-N 3.4Å; S66-R69 VanDerWaalsContact O-N 3.13Å; S66-I93 PolarHBondContact O-N 3.28Å |
| 67 | D | 97.2 | Very high | 95 | Very high | 44 Ų | 44 | 36 Ų | 36 | 24% | 0.235 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -25 | 164.5 | -70.3 | 4.5 | 0 | 0 | 0 | 113.1 | C49 N51 R69 N92 | C49-D67 HydrophobicContact CB-CB 4.5Å; C49-D67 WeakPolarHBondContact CB-OD2 3.36Å; C49-D67 PolarHBondContact O-N 3.42Å; C49-D67 PolarHBondContact SG-OD2 3.42Å; N51-D67 PolarHBondContact ND2-OD1 2.98Å; D67-R69 PolarHBondContact O-N 3.25Å; D67-N92 VanDerWaalsContact OD1-CB 3.31Å; D67-N92 WeakPolarHBondContact OD1-CB 3.35Å; D67-N92 VanDerWaalsContact OD1-CG 3.22Å; D67-N92 PolarHBondContact OD1-ND2 3.47Å; D67-N92 PolarHBondContact OD2-ND2 2.93Å |
| 68 | D | 97.3 | Very high | 95.5 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -4.2 | 175.4 | 74.5 | 8.8 | 0 | 0 | 0 | 114.2 | H46 H47 S66 R70 | H46-D68 VanDerWaalsContact CA-OD2 3.24Å; H46-D68 WeakPolarHBondContact CA-OD2 3.44Å; H46-D68 IonicContact CE1-OD1 3.09Å; H46-D68 IonicContact CG-OD2 3.5Å; H46-D68 IonicContact ND1-OD1 3.7Å; H46-D68 PolarHBondContact ND1-OD1 2.95Å; H46-D68 IonicContact ND1-OD2 3.64Å; H46-D68 PolarHBondContact ND1-OD2 3.26Å; H47-D68 HydrophobicContact CB-CB 4.11Å; H47-D68 PolarHBondContact N-OD2 2.94Å; H47-D68 IonicContact ND1-OD2 3.22Å; S66-D68 WeakPolarHBondContact CB-OD1 3.44Å; S66-D68 PolarHBondContact O-N 3.4Å; S66-D68 PolarHBondContact OG-N 3.39Å; D68-R70 PolarHBondContact O-N 2.96Å; D68-R70 VanDerWaalsContact OD1-CB 3.23Å; D68-R70 WeakPolarHBondContact OD1-CB 3.39Å; D68-R70 PolarHBondContact OD1-N 2.95Å |
| 69 | R | 97.7 | Very high | 96 | Very high | 116 Ų | 116 | 38.2 Ų | 38.2 | 44% | 0.438 | 17% | 0.167 | S | C | . | . | S | Bend | trans | 70.4 | 13.4 | 178.5 | -50.2 | 158 | -58.6 | 176.8 | 1.5 | 113.8 | S66 D67 T87 H89 | S66-R69 PolarHBondContact O-N 3.4Å; S66-R69 VanDerWaalsContact O-N 3.13Å; D67-R69 PolarHBondContact O-N 3.25Å; R69-T87 PolarHBondContact O-N 3.36Å; R69-T87 PolarHBondContact O-OG1 3.18Å; R69-H89 WeakPolarHBondContact CB-O 3.3Å; R69-H89 VanDerWaalsContact CD-O 3.28Å; R69-H89 WeakPolarHBondContact CD-O 3.34Å |
| 70 | R | 97.5 | Very high | 96.2 | Very high | 99 Ų | 99 | 43.7 Ų | 43.7 | 37% | 0.374 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 151.1 | 175.3 | -58.1 | 177.6 | 172.3 | -171.3 | -1.4 | 111.6 | H46 D68 M85 I93 | H46-R70 PolarHBondContact CE1-O 3.37Å; D68-R70 PolarHBondContact O-N 2.96Å; D68-R70 VanDerWaalsContact OD1-CB 3.23Å; D68-R70 WeakPolarHBondContact OD1-CB 3.39Å; D68-R70 PolarHBondContact OD1-N 2.95Å; R70-M85 WeakPolarHBondContact CA-O 3.35Å; R70-I93 WeakPolarHBondContact O-CD1 3.38Å |
| 71 | L | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.9 | 161.3 | 174.2 | 66.5 | 0 | 0 | 0 | 107.2 | A63 S64 I73 M85 T87 V96 I107 T109 | A63-L71 HydrophobicContact CB-CD1 4.24Å; S64-L71 WeakPolarHBondContact O-CA 3.45Å; L71-I73 HydrophobicContact CD1-CD1 4.06Å; L71-I73 HydrophobicContact CD2-CD1 4.18Å; L71-I73 HydrophobicContact CG-CD1 4Å; L71-M85 HydrophobicContact CB-CE 4.26Å; L71-M85 HydrophobicContact CD2-CE 3.61Å; L71-M85 PolarHBondContact N-O 3.01Å; L71-M85 PolarHBondContact O-N 3.16Å; L71-T87 HydrophobicContact CB-CG2 3.71Å; L71-V96 HydrophobicContact CD1-CG2 3.65Å; L71-I107 HydrophobicContact CD1-CG2 4.37Å; L71-I107 HydrophobicContact CD2-CB 4.26Å; L71-I107 HydrophobicContact CD2-CD1 4.13Å; L71-I107 HydrophobicContact CD2-CG2 3.9Å; L71-T109 HydrophobicContact CD1-CG2 4.47Å |
| 72 | I | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.6 | 169.5 | -55.6 | 178.8 | 0 | 0 | 0 | 109 | A63 S64 W74 P81 L83 T84 | A63-I72 CarbonylContact C-O 3.58Å; A63-I72 WeakPolarHBondContact CA-O 3.41Å; S64-I72 PolarHBondContact N-O 3.06Å; S64-I72 PolarHBondContact O-N 3.33Å; S64-I72 VanDerWaalsContact O-N 3.08Å; I72-W74 HydrophobicContact CB-CZ2 3.95Å; I72-W74 HydrophobicContact CD1-CH2 4.21Å; I72-W74 HydrophobicContact CD1-CZ2 3.84Å; I72-W74 HydrophobicContact CG1-CZ2 4.49Å; I72-W74 HydrophobicContact CG2-CD2 3.78Å; I72-W74 HydrophobicContact CG2-CE3 4.23Å; I72-W74 HydrophobicContact CG2-CG 4.31Å; I72-W74 HydrophobicContact CG2-CH2 3.97Å; I72-W74 HydrophobicContact CG2-CZ2 3.5Å; I72-W74 HydrophobicContact CG2-CZ3 4.32Å; I72-P81 HydrophobicContact CG2-CB 3.73Å; I72-L83 CarbonylContact C-O 3.56Å; I72-L83 VanDerWaalsContact CA-O 3.32Å; I72-L83 WeakPolarHBondContact CA-O 3.34Å; I72-L83 WeakPolarHBondContact CG2-O 3.33Å; I72-T84 HydrophobicContact CD1-CG2 4.44Å; I72-T84 HydrophobicContact CG1-CG2 4.09Å |
| 73 | I | 97.2 | Very high | 96.3 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 124.1 | 169.9 | -47.7 | -56.2 | 0 | 0 | 0 | 107.4 | Y61 L62 A63 L71 P81 L82 L83 F98 I107 | Y61-I73 HydrophobicContact CG-CG2 4.47Å; L62-I73 WeakPolarHBondContact O-CA 3.07Å; A63-I73 HydrophobicContact CB-CD1 3.71Å; L71-I73 HydrophobicContact CD1-CD1 4.06Å; L71-I73 HydrophobicContact CD2-CD1 4.18Å; L71-I73 HydrophobicContact CG-CD1 4Å; I73-P81 CarbonylContact O-C 3.6Å; I73-L82 PolarHBondContact O-N 3.18Å; I73-L83 HydrophobicContact CB-CB 4.19Å; I73-L83 HydrophobicContact CG1-CB 4.19Å; I73-L83 HydrophobicContact CG1-CD2 4.33Å; I73-L83 PolarHBondContact N-O 3.32Å; I73-L83 PolarHBondContact O-N 2.88Å; I73-F98 HydrophobicContact CD1-CZ 4.35Å; I73-I107 HydrophobicContact CD1-CD1 3.32Å; I73-I107 HydrophobicContact CG1-CD1 4.23Å |
| 74 | W | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 142.6 | -177.5 | -52 | 91.1 | 0 | 0 | 0 | 110.9 | L43 Q44 Y61 L62 S64 I72 P81 | L43-W74 HydrophobicContact CB-CD2 4.14Å; L43-W74 HydrophobicContact CB-CE3 3.77Å; L43-W74 HydrophobicContact CB-CH2 4.03Å; L43-W74 HydrophobicContact CB-CZ2 4.36Å; L43-W74 HydrophobicContact CB-CZ3 3.72Å; L43-W74 HydrophobicContact CD1-CB 4.04Å; L43-W74 HydrophobicContact CD1-CD2 3.84Å; L43-W74 HydrophobicContact CD1-CE3 3.97Å; L43-W74 HydrophobicContact CD1-CG 3.88Å; L43-W74 HydrophobicContact CG-CE3 4.32Å; Q44-W74 WeakPolarHBondContact O-CH2 3.42Å; Y61-W74 WeakPolarHBondContact CA-O 3.46Å; L62-W74 HydrophobicContact CB-CB 4.31Å; L62-W74 PolarHBondContact N-O 2.94Å; L62-W74 VanDerWaalsContact O-CD1 3.3Å; L62-W74 PolarHBondContact O-N 3.43Å; S64-W74 PolarHBondContact OG-NE1 3.07Å; I72-W74 HydrophobicContact CB-CZ2 3.95Å; I72-W74 HydrophobicContact CD1-CH2 4.21Å; I72-W74 HydrophobicContact CD1-CZ2 3.84Å; I72-W74 HydrophobicContact CG1-CZ2 4.49Å; I72-W74 HydrophobicContact CG2-CD2 3.78Å; I72-W74 HydrophobicContact CG2-CE3 4.23Å; I72-W74 HydrophobicContact CG2-CG 4.31Å; I72-W74 HydrophobicContact CG2-CH2 3.97Å; I72-W74 HydrophobicContact CG2-CZ2 3.5Å; I72-W74 HydrophobicContact CG2-CZ3 4.32Å; W74-P81 HydrophobicContact CE3-CB 3.85Å; W74-P81 HydrophobicContact CE3-CG 4.48Å; W74-P81 HydrophobicContact CH2-CB 4.35Å; W74-P81 HydrophobicContact CZ3-CB 3.71Å; W74-P81 HydrophobicContact CZ3-CG 4.02Å |
| 75 | D | 95.9 | Very high | 96.1 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 16% | 0.16 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 114 | 151.5 | -169.2 | -46.5 | 0 | 0 | 0 | 107.4 | F77 E78 R79 K80 L82 | D75-F77 VanDerWaalsContact C-N 3.3Å; D75-F77 WeakPolarHBondContact OD1-CA 3.4Å; D75-F77 PolarHBondContact OD1-N 3.47Å; D75-E78 HydrophobicContact CB-CB 3.92Å; D75-E78 PolarHBondContact OD1-N 3.49Å; D75-R79 WeakPolarHBondContact O-CA 3.47Å; D75-R79 PolarHBondContact O-N 3.05Å; D75-K80 PolarHBondContact N-O 3.18Å; D75-K80 PolarHBondContact O-N 2.96Å; D75-L82 HydrophobicContact CB-CD1 3.93Å; D75-L82 HydrophobicContact CB-CD2 4.01Å; D75-L82 HydrophobicContact CB-CG 3.86Å |
| 76 | P | 92.7 | Very high | 96 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -26.9 | -178 | 34.5 | -39.8 | 0 | 0 | 0 | 112.2 | W55 S60 L762 | W55-P76 HydrophobicContact CH2-CB 3.91Å; W55-P76 HydrophobicContact CH2-CG 4.3Å; W55-P76 HydrophobicContact CZ3-CB 3.95Å; W55-P76 HydrophobicContact CZ3-CG 3.88Å; S60-P76 WeakPolarHBondContact O-CD 3.36Å; P76-L762 HydrophobicContact CB-CD1 3.86Å; P76-L762 WeakPolarHBondContact O-CD1 3.47Å |
| 77 | F | 92.4 | Very high | 95.9 | Very high | 116 Ų | 116 | 56.3 Ų | 56.3 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -40.7 | -172.5 | -54.5 | -64.5 | 0 | 0 | 0 | 111 | D75 R79 H745 I748 | D75-F77 VanDerWaalsContact C-N 3.3Å; D75-F77 WeakPolarHBondContact OD1-CA 3.4Å; D75-F77 PolarHBondContact OD1-N 3.47Å; F77-R79 PolarHBondContact O-N 2.91Å; F77-H745 AromaticContact CZ-NE2 3.95Å; F77-I748 HydrophobicContact CE1-CD1 4.16Å |
| 78 | E | 94.8 | Very high | 95.9 | Very high | 111 Ų | 111 | 55.8 Ų | 55.8 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.1 | 168.7 | -75.4 | -68.2 | 141 | 0 | 0 | 113.2 | D75 K80 | D75-E78 HydrophobicContact CB-CB 3.92Å; D75-E78 PolarHBondContact OD1-N 3.49Å; E78-K80 VanDerWaalsContact C-N 3.28Å; E78-K80 HydrophobicContact CB-CD 4.27Å; E78-K80 WeakPolarHBondContact O-CE 3.32Å; E78-K80 WeakPolarHBondContact O-CG 3.49Å; E78-K80 PolarHBondContact O-N 3.13Å; E78-K80 IonicContact OE2-NZ 2.78Å; E78-K80 PolarHBondContact OE2-NZ 3.14Å |
| 79 | R | 94.7 | Very high | 95.9 | Very high | 124 Ų | 124 | 54.8 Ų | 54.8 | 47% | 0.468 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 33.7 | 177.4 | -52.1 | 176.5 | 174.1 | 177.7 | -1.6 | 113.4 | E40 T41 L43 D75 F77 | E40-R79 IonicContact OE1-CZ 2.84Å; E40-R79 IonicContact OE1-NE 3.9Å; E40-R79 IonicContact OE1-NH2 3.84Å; E40-R79 PolarHBondContact OE1-NH2 3.32Å; T41-R79 HydrophobicContact CG2-CG 4.12Å; L43-R79 HydrophobicContact CD2-CB 4.05Å; D75-R79 WeakPolarHBondContact O-CA 3.47Å; D75-R79 PolarHBondContact O-N 3.05Å; F77-R79 PolarHBondContact O-N 2.91Å |
| 80 | K | 94.6 | Very high | 95.9 | Very high | 114 Ų | 114 | 54.2 Ų | 54.2 | 50% | 0.496 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 146.7 | -172.4 | -71.9 | 160.2 | -160.2 | 156.4 | 0 | 111.8 | D75 E78 L82 | D75-K80 PolarHBondContact N-O 3.18Å; D75-K80 PolarHBondContact O-N 2.96Å; E78-K80 VanDerWaalsContact C-N 3.28Å; E78-K80 HydrophobicContact CB-CD 4.27Å; E78-K80 WeakPolarHBondContact O-CE 3.32Å; E78-K80 WeakPolarHBondContact O-CG 3.49Å; E78-K80 PolarHBondContact O-N 3.13Å; E78-K80 IonicContact OE2-NZ 2.78Å; E78-K80 PolarHBondContact OE2-NZ 3.14Å; K80-L82 PolarHBondContact O-N 3.41Å |
| 81 | P | 96.2 | Very high | 95.8 | Very high | 63 Ų | 63 | 50.8 Ų | 50.8 | 41% | 0.409 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 121.1 | 165.3 | 29.8 | -30.1 | 0 | 0 | 0 | 109.1 | I72 I73 W74 | I72-P81 HydrophobicContact CG2-CB 3.73Å; I73-P81 CarbonylContact O-C 3.6Å; W74-P81 HydrophobicContact CE3-CB 3.85Å; W74-P81 HydrophobicContact CE3-CG 4.48Å; W74-P81 HydrophobicContact CH2-CB 4.35Å; W74-P81 HydrophobicContact CZ3-CB 3.71Å; W74-P81 HydrophobicContact CZ3-CG 4.02Å |
| 82 | L | 94.9 | Very high | 95.8 | Very high | 93 Ų | 93 | 53.5 Ų | 53.5 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -37.8 | 173.3 | -66.2 | 176.1 | 0 | 0 | 0 | 111.6 | Y61 I73 D75 K80 | Y61-L82 HydrophobicContact CD1-CD1 3.54Å; Y61-L82 HydrophobicContact CE1-CD1 3.38Å; I73-L82 PolarHBondContact O-N 3.18Å; D75-L82 HydrophobicContact CB-CD1 3.93Å; D75-L82 HydrophobicContact CB-CD2 4.01Å; D75-L82 HydrophobicContact CB-CG 3.86Å; K80-L82 PolarHBondContact O-N 3.41Å |
| 83 | L | 95.3 | Very high | 95.8 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 18% | 0.183 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 133 | 179.4 | 173.3 | 60.4 | 0 | 0 | 0 | 109.6 | I72 I73 M85 I121 L124 | I72-L83 CarbonylContact C-O 3.56Å; I72-L83 VanDerWaalsContact CA-O 3.32Å; I72-L83 WeakPolarHBondContact CA-O 3.34Å; I72-L83 WeakPolarHBondContact CG2-O 3.33Å; I73-L83 HydrophobicContact CB-CB 4.19Å; I73-L83 HydrophobicContact CG1-CB 4.19Å; I73-L83 HydrophobicContact CG1-CD2 4.33Å; I73-L83 PolarHBondContact N-O 3.32Å; I73-L83 PolarHBondContact O-N 2.88Å; L83-M85 HydrophobicContact CD1-CB 4.35Å; L83-M85 HydrophobicContact CD2-CB 4.46Å; L83-M85 HydrophobicContact CG-CB 4.27Å; L83-I121 HydrophobicContact CD2-CB 3.92Å; L83-I121 HydrophobicContact CD2-CG2 4.2Å; L83-L124 HydrophobicContact CD1-CD2 3.52Å; L83-L124 HydrophobicContact CD2-CD2 3.88Å; L83-L124 HydrophobicContact CG-CD2 4.38Å |
| 84 | T | 96.5 | Very high | 95.8 | Very high | 66 Ų | 66 | 54 Ų | 54 | 41% | 0.405 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 118.3 | 164.2 | -65.1 | 0 | 0 | 0 | 0 | 108.1 | I72 | I72-T84 HydrophobicContact CD1-CG2 4.44Å; I72-T84 HydrophobicContact CG1-CG2 4.09Å |
| 85 | M | 95.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.6 | -173.6 | -175.7 | -177.9 | 73.6 | 0 | 0 | 110.3 | R70 L71 L83 T87 H119 | R70-M85 WeakPolarHBondContact CA-O 3.35Å; L71-M85 HydrophobicContact CB-CE 4.26Å; L71-M85 HydrophobicContact CD2-CE 3.61Å; L71-M85 PolarHBondContact N-O 3.01Å; L71-M85 PolarHBondContact O-N 3.16Å; L83-M85 HydrophobicContact CD1-CB 4.35Å; L83-M85 HydrophobicContact CD2-CB 4.46Å; L83-M85 HydrophobicContact CG-CB 4.27Å; M85-T87 PolarHBondContact O-N 3.42Å; M85-H119 HydrophobicContact CE-CB 3.44Å; M85-H119 VanDerWaalsContact CE-CB 3.44Å; M85-H119 HydrophobicContact SD-CB 4.22Å |
| 86 | N | 95.3 | Very high | 95.9 | Very high | 118 Ų | 118 | 52.7 Ų | 52.7 | 63% | 0.631 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 115.9 | 167.9 | -177.8 | 2.8 | 0 | 0 | 0 | 108.4 | G88 | N86-G88 PolarHBondContact O-N 2.72Å; N86-G88 PolarHBondContact OD1-N 2.98Å |
| 87 | T | 96.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | trans | -71.6 | -16.6 | -178.6 | 63.8 | 0 | 0 | 0 | 0 | 113 | R69 L71 M85 H89 I93 T109 R117 | R69-T87 PolarHBondContact O-N 3.36Å; R69-T87 PolarHBondContact O-OG1 3.18Å; L71-T87 HydrophobicContact CB-CG2 3.71Å; M85-T87 PolarHBondContact O-N 3.42Å; T87-H89 PolarHBondContact O-N 2.92Å; T87-H89 WeakPolarHBondContact OG1-CB 3.35Å; T87-H89 PolarHBondContact OG1-CD2 2.85Å; T87-H89 VanDerWaalsContact OG1-CD2 3.29Å; T87-H89 PolarHBondContact OG1-N 2.91Å; T87-H89 VanDerWaalsContact OG1-N 3.15Å; T87-I93 HydrophobicContact CG2-CD1 3.69Å; T87-T109 HydrophobicContact CG2-CG2 4.31Å; T87-R117 WeakPolarHBondContact O-CD 3.3Å; T87-R117 PolarHBondContact O-NE 3.45Å | ||
| 88 | G | 96.1 | Very high | 96.2 | Very high | 33 Ų | 33 | 48.7 Ų | 48.7 | 34% | 0.34 | 26% | 0.26 | S | S | . | . | trans | 74.5 | 4.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N86 R117 | N86-G88 PolarHBondContact O-N 2.72Å; N86-G88 PolarHBondContact OD1-N 2.98Å; G88-R117 VanDerWaalsContact C-NH2 3.33Å; G88-R117 PolarHBondContact O-NH1 2.73Å; G88-R117 PolarHBondContact O-NH2 3.33Å | ||
| 89 | H | 97.5 | Very high | 96 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | trans | -61.5 | 144 | 167.9 | -77.8 | -71.2 | 0 | 0 | 0 | 110.4 | R69 T87 T109 A111 D113 K115 R117 | R69-H89 WeakPolarHBondContact CB-O 3.3Å; R69-H89 VanDerWaalsContact CD-O 3.28Å; R69-H89 WeakPolarHBondContact CD-O 3.34Å; T87-H89 PolarHBondContact O-N 2.92Å; T87-H89 WeakPolarHBondContact OG1-CB 3.35Å; T87-H89 PolarHBondContact OG1-CD2 2.85Å; T87-H89 VanDerWaalsContact OG1-CD2 3.29Å; T87-H89 PolarHBondContact OG1-N 2.91Å; T87-H89 VanDerWaalsContact OG1-N 3.15Å; H89-T109 PolarHBondContact NE2-OG1 3.14Å; H89-T109 VanDerWaalsContact NE2-OG1 3.16Å; H89-A111 HydrophobicContact CB-CB 4.15Å; H89-A111 VanDerWaalsContact ND1-CB 3.33Å; H89-A111 WeakPolarHBondContact ND1-CB 3.46Å; H89-D113 VanDerWaalsContact CA-OD2 3.31Å; H89-D113 WeakPolarHBondContact CA-OD2 3.34Å; H89-D113 IonicContact CE1-OD1 3.77Å; H89-D113 PolarHBondContact CE1-OD1 3.05Å; H89-D113 IonicContact CG-OD1 2.92Å; H89-D113 IonicContact CG-OD2 2.87Å; H89-D113 IonicContact ND1-OD1 3.2Å; H89-D113 PolarHBondContact ND1-OD1 3.41Å; H89-D113 IonicContact ND1-OD2 3.3Å; H89-D113 PolarHBondContact ND1-OD2 3.44Å; H89-K115 PolarHBondContact CE1-O 2.91Å; H89-R117 VanDerWaalsContact CA-NH1 3.26Å; H89-R117 PolarHBondContact CE1-NH1 2.87Å; H89-R117 VanDerWaalsContact CG-NH1 3.3Å; H89-R117 PolarHBondContact ND1-NH1 2.92Å | ||
| 90 | V | 97.2 | Very high | 94.9 | Very high | 103 Ų | 103 | 38.8 Ų | 38.8 | 62% | 0.624 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -96.2 | -10.1 | 180 | -62.7 | 0 | 0 | 0 | 0 | 112.9 | D113 | V90-D113 HydrophobicContact CG2-CB 3.42Å; V90-D113 VanDerWaalsContact CG2-CB 3.42Å; V90-D113 PolarHBondContact N-OD2 3.14Å |
| 91 | A | 97.2 | Very high | 93.7 | Very high | 28 Ų | 28 | 35.6 Ų | 35.6 | 23% | 0.231 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -143.5 | 175.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A112 D113 | A91-A112 HydrophobicContact CB-CB 3.71Å; A91-D113 HydrophobicContact CB-CB 4.19Å |
| 92 | N | 96.6 | Very high | 92.6 | Very high | 57 Ų | 57 | 34 Ų | 34 | 31% | 0.305 | 20% | 0.201 | S | C | . | . | trans | -52.4 | 134.3 | -166.7 | -48.8 | 25 | 0 | 0 | 0 | 113.5 | D67 F94 A111 A112 | D67-N92 VanDerWaalsContact OD1-CB 3.31Å; D67-N92 WeakPolarHBondContact OD1-CB 3.35Å; D67-N92 VanDerWaalsContact OD1-CG 3.22Å; D67-N92 PolarHBondContact OD1-ND2 3.47Å; D67-N92 PolarHBondContact OD2-ND2 2.93Å; N92-F94 HydrophobicContact CB-CE1 4Å; N92-F94 HydrophobicContact CB-CZ 4.11Å; N92-A111 CarbonylContact O-C 3.59Å; N92-A111 VanDerWaalsContact O-CA 3.26Å; N92-A111 WeakPolarHBondContact O-CA 3.5Å; N92-A111 VanDerWaalsContact O-CB 3.29Å; N92-A111 WeakPolarHBondContact O-CB 3.33Å; N92-A112 HydrophobicContact CB-CB 4.38Å; N92-A112 PolarHBondContact O-N 3.19Å | ||
| 93 | I | 98.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 130.4 | 172.4 | -59.5 | 163.3 | 0 | 0 | 0 | 108.4 | N51 S66 R70 T87 A111 | N51-I93 WeakPolarHBondContact CB-O 3.49Å; N51-I93 PolarHBondContact ND2-O 3.17Å; S66-I93 PolarHBondContact O-N 3.28Å; R70-I93 WeakPolarHBondContact O-CD1 3.38Å; T87-I93 HydrophobicContact CG2-CD1 3.69Å; I93-A111 HydrophobicContact CG1-CB 4.46Å |
| 94 | F | 97.6 | Very high | 90.5 | Very high | 20 Ų | 20 | 36 Ų | 36 | 9% | 0.088 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | -15.1 | 179.2 | -65.2 | -47.6 | 0 | 0 | 0 | 113.9 | N51 C52 N92 G110 A112 R136 K138 I696 | N51-F94 HydrophobicContact CB-CD1 4.18Å; C52-F94 WeakPolarHBondContact CB-O 3.37Å; N92-F94 HydrophobicContact CB-CE1 4Å; N92-F94 HydrophobicContact CB-CZ 4.11Å; F94-G110 PolarHBondContact N-O 2.97Å; F94-A112 HydrophobicContact CD2-CB 4.33Å; F94-A112 HydrophobicContact CE2-CB 3.55Å; F94-A112 HydrophobicContact CZ-CB 4.03Å; F94-R136 HydrophobicContact CE2-CB 4.25Å; F94-K138 HydrophobicContact CD2-CD 4.2Å; F94-K138 HydrophobicContact CE2-CD 4.48Å; F94-I696 HydrophobicContact CD1-CD1 4.32Å; F94-I696 HydrophobicContact CD1-CG2 4.34Å |
| 95 | S | 97.9 | Very high | 90 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 141.5 | 177.4 | -162.1 | 0 | 0 | 0 | 0 | 111.8 | T109 G110 L140 | S95-T109 CarbonylContact O-C 3.59Å; S95-T109 WeakPolarHBondContact O-CA 3.39Å; S95-G110 PolarHBondContact N-O 3.09Å; S95-G110 VanDerWaalsContact N-O 3.14Å; S95-G110 PolarHBondContact O-N 3.47Å; S95-L140 PolarHBondContact OG-N 2.82Å |
| 96 | V | 97.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 140 | 175.3 | 63.7 | 0 | 0 | 0 | 0 | 108.4 | C52 E54 A63 L71 I107 V108 T109 | C52-V96 HydrophobicContact CB-CG1 4.36Å; E54-V96 HydrophobicContact CB-CG1 3.9Å; A63-V96 HydrophobicContact CB-CG1 4.32Å; A63-V96 HydrophobicContact CB-CG2 3.93Å; L71-V96 HydrophobicContact CD1-CG2 3.65Å; V96-I107 HydrophobicContact CG2-CG2 3.47Å; V96-I107 VanDerWaalsContact CG2-CG2 3.47Å; V96-V108 CarbonylContact C-O 3.58Å; V96-V108 WeakPolarHBondContact CA-O 3.22Å; V96-T109 HydrophobicContact CG2-CG2 4.23Å |
| 97 | K | 96.1 | Very high | 90 | Very high | 29 Ų | 29 | 28.5 Ų | 28.5 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 130.4 | 175.7 | -73.9 | -59.2 | -173.5 | -172.4 | 0 | 111.8 | E54 I107 V108 L140 | E54-K97 VanDerWaalsContact CD-CD 3.45Å; E54-K97 HydrophobicContact CG-CD 4.11Å; E54-K97 WeakPolarHBondContact OE1-CD 3.39Å; E54-K97 WeakPolarHBondContact OE1-CE 3.37Å; E54-K97 IonicContact OE1-NZ 3.16Å; E54-K97 PolarHBondContact OE1-NZ 3.21Å; E54-K97 IonicContact OE2-NZ 2.84Å; E54-K97 PolarHBondContact OE2-NZ 3.19Å; K97-I107 WeakPolarHBondContact O-CA 3.32Å; K97-V108 PolarHBondContact N-O 3.18Å; K97-V108 PolarHBondContact O-N 3.36Å; K97-L140 VanDerWaalsContact CE-O 3.3Å; K97-L140 WeakPolarHBondContact CE-O 3.29Å; K97-L140 HydrophobicContact CG-CB 3.8Å |
| 98 | F | 93.9 | Very high | 90 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.013 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.7 | 165 | -73.6 | -83.4 | 0 | 0 | 0 | 110.1 | E54 N56 A63 I73 S100 I107 N142 | E54-F98 HydrophobicContact CB-CD2 4.47Å; E54-F98 HydrophobicContact CG-CD2 4.04Å; E54-F98 WeakPolarHBondContact O-CE2 3.19Å; N56-F98 HydrophobicContact CB-CD1 4.22Å; N56-F98 HydrophobicContact CB-CD2 3.91Å; N56-F98 HydrophobicContact CB-CE1 4.23Å; N56-F98 HydrophobicContact CB-CE2 3.92Å; N56-F98 HydrophobicContact CB-CG 4.07Å; N56-F98 HydrophobicContact CB-CZ 4.08Å; A63-F98 HydrophobicContact CB-CD2 4.39Å; A63-F98 HydrophobicContact CB-CE2 3.54Å; A63-F98 HydrophobicContact CB-CZ 3.75Å; I73-F98 HydrophobicContact CD1-CZ 4.35Å; F98-S100 VanDerWaalsContact C-N 3.31Å; F98-S100 PolarHBondContact O-N 3.37Å; F98-I107 HydrophobicContact CD1-CD1 3.8Å; F98-I107 HydrophobicContact CD1-CG1 3.72Å; F98-I107 HydrophobicContact CE1-CD1 3.46Å; F98-I107 VanDerWaalsContact CE1-CD1 3.46Å; F98-I107 HydrophobicContact CE1-CG1 3.94Å; F98-I107 HydrophobicContact CG-CG1 4.46Å; F98-I107 HydrophobicContact CZ-CD1 4.08Å; F98-N142 PolarHBondContact O-ND2 3.27Å |
| 99 | L | 91.6 | Very high | 90.1 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | trans | -90.9 | 69.6 | 168.5 | -57.8 | -176.6 | 0 | 0 | 0 | 109.4 | S101 L102 L106 V108 N142 F150 L164 | L99-S101 VanDerWaalsContact C-N 3.29Å; L99-S101 PolarHBondContact O-N 2.97Å; L99-S101 VanDerWaalsContact O-N 3.16Å; L99-L102 PolarHBondContact O-N 3.19Å; L99-L106 HydrophobicContact CB-CB 4.16Å; L99-L106 HydrophobicContact CD1-CB 4.07Å; L99-L106 HydrophobicContact CG-CB 4.42Å; L99-L106 PolarHBondContact N-O 2.97Å; L99-V108 HydrophobicContact CD1-CG2 3.66Å; L99-V108 HydrophobicContact CD2-CG2 3.74Å; L99-V108 HydrophobicContact CG-CG2 3.7Å; L99-N142 HydrophobicContact CD2-CB 4.21Å; L99-F150 HydrophobicContact CD2-CB 4.36Å; L99-L164 HydrophobicContact CD1-CD1 3.44Å; L99-L164 VanDerWaalsContact CD1-CD1 3.44Å | ||
| 100 | S | 72.2 | Confident | 90.1 | Very high | 21 Ų | 21 | 26.7 Ų | 26.7 | 15% | 0.147 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -53 | -43.1 | -164.8 | -46.8 | 0 | 0 | 0 | 0 | 113.8 | E57 F98 L102 N103 E104 | E57-S100 WeakPolarHBondContact OE2-CB 3.38Å; F98-S100 VanDerWaalsContact C-N 3.31Å; F98-S100 PolarHBondContact O-N 3.37Å; S100-L102 PolarHBondContact O-N 2.75Å; S100-N103 PolarHBondContact O-N 3.34Å; S100-N103 VanDerWaalsContact O-N 3.17Å; S100-E104 PolarHBondContact O-N 2.79Å; S100-E104 VanDerWaalsContact O-N 3.11Å |
| 101 | S | 68.9 | Low | 90.1 | Very high | 47 Ų | 47 | 21.8 Ų | 21.8 | 33% | 0.329 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -60.7 | -8.1 | 177.6 | -47.1 | 0 | 0 | 0 | 0 | 115.6 | L99 P144 | L99-S101 VanDerWaalsContact C-N 3.29Å; L99-S101 PolarHBondContact O-N 2.97Å; L99-S101 VanDerWaalsContact O-N 3.16Å; S101-P144 WeakPolarHBondContact OG-CA 3.41Å; S101-P144 PolarHBondContact OG-O 3.49Å |
| 102 | L | 73.7 | Confident | 90.1 | Very high | 30 Ų | 30 | 21.4 Ų | 21.4 | 16% | 0.157 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -109 | 44.4 | 174.1 | -63 | 179 | 0 | 0 | 0 | 111.5 | L99 S100 E104 L106 P147 F148 L164 | L99-L102 PolarHBondContact O-N 3.19Å; S100-L102 PolarHBondContact O-N 2.75Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.09Å; L102-L106 HydrophobicContact CB-CD1 4.25Å; L102-L106 HydrophobicContact CD1-CD1 3.84Å; L102-P147 VanDerWaalsContact CD1-O 3.3Å; L102-P147 WeakPolarHBondContact CD1-O 3.18Å; L102-P147 HydrophobicContact CD2-CB 3.85Å; L102-P147 HydrophobicContact CG-CB 4.08Å; L102-F148 HydrophobicContact CD1-CD1 4.03Å; L102-F148 HydrophobicContact CD1-CE1 4.23Å; L102-F148 HydrophobicContact CD2-CD1 4.13Å; L102-F148 HydrophobicContact CD2-CE1 3.61Å; L102-F148 HydrophobicContact CD2-CZ 3.86Å; L102-L164 HydrophobicContact CD1-CD1 4.02Å |
| 103 | N | 70.6 | Confident | 90.1 | Very high | 130 Ų | 130 | 19.8 Ų | 19.8 | 70% | 0.695 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 26.9 | 179.7 | -50.3 | -53.1 | 0 | 0 | 0 | 114.6 | S100 N105 | S100-N103 PolarHBondContact O-N 3.34Å; S100-N103 VanDerWaalsContact O-N 3.17Å; N103-N105 PolarHBondContact O-N 3.05Å; N103-N105 PolarHBondContact O-OD1 2.89Å; N103-N105 VanDerWaalsContact O-OD1 3.07Å |
| 104 | E | 74.1 | Confident | 90 | Very high | 41 Ų | 41 | 21.1 Ų | 21.1 | 19% | 0.192 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 2.6 | -177.1 | -50.2 | -165 | 140.5 | 0 | 0 | 116.4 | N56 E57 S100 L102 L106 | N56-E104 WeakPolarHBondContact CB-OE1 3.4Å; N56-E104 PolarHBondContact ND2-OE1 3.14Å; N56-E104 PolarHBondContact ND2-OE2 3.32Å; E57-E104 PolarHBondContact N-OE1 3.3Å; E57-E104 VanDerWaalsContact N-OE1 3.16Å; S100-E104 PolarHBondContact O-N 2.79Å; S100-E104 VanDerWaalsContact O-N 3.11Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.09Å; E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 3.24Å |
| 105 | N | 87.1 | Confident | 89.9 | Confident | 30 Ų | 30 | 23.5 Ų | 23.5 | 16% | 0.16 | 13% | 0.13 | C | C | . | . | trans | -72.1 | -24.6 | -177.7 | -59 | -25.8 | 0 | 0 | 0 | 113.4 | N103 I121 K122 | N103-N105 PolarHBondContact O-N 3.05Å; N103-N105 PolarHBondContact O-OD1 2.89Å; N103-N105 VanDerWaalsContact O-OD1 3.07Å; N105-I121 WeakPolarHBondContact O-CG1 3.3Å; N105-I121 PolarHBondContact O-N 2.73Å; N105-K122 VanDerWaalsContact OD1-CD 3.28Å; N105-K122 WeakPolarHBondContact OD1-CD 3.41Å; N105-K122 WeakPolarHBondContact OD1-CE 3.32Å; N105-K122 PolarHBondContact OD1-NZ 3.36Å | ||
| 106 | L | 93.2 | Very high | 89.9 | Confident | 11 Ų | 11 | 23.4 Ų | 23.4 | 6% | 0.058 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126 | -172.4 | -63.9 | -178.9 | 0 | 0 | 0 | 110.8 | L99 L102 E104 H119 D120 L164 | L99-L106 HydrophobicContact CB-CB 4.16Å; L99-L106 HydrophobicContact CD1-CB 4.07Å; L99-L106 HydrophobicContact CG-CB 4.42Å; L99-L106 PolarHBondContact N-O 2.97Å; L102-L106 HydrophobicContact CB-CD1 4.25Å; L102-L106 HydrophobicContact CD1-CD1 3.84Å; E104-L106 VanDerWaalsContact C-N 3.31Å; E104-L106 PolarHBondContact O-N 3.24Å; L106-H119 WeakPolarHBondContact CA-O 3.42Å; L106-D120 HydrophobicContact CD2-CB 3.83Å; L106-L164 HydrophobicContact CD1-CD1 4.29Å |
| 107 | I | 95.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.7 | 177.5 | -60 | -179 | 0 | 0 | 0 | 109.3 | L71 I73 V96 K97 F98 V118 H119 I121 | L71-I107 HydrophobicContact CD1-CG2 4.37Å; L71-I107 HydrophobicContact CD2-CB 4.26Å; L71-I107 HydrophobicContact CD2-CD1 4.13Å; L71-I107 HydrophobicContact CD2-CG2 3.9Å; I73-I107 HydrophobicContact CD1-CD1 3.32Å; I73-I107 HydrophobicContact CG1-CD1 4.23Å; V96-I107 HydrophobicContact CG2-CG2 3.47Å; V96-I107 VanDerWaalsContact CG2-CG2 3.47Å; K97-I107 WeakPolarHBondContact O-CA 3.32Å; F98-I107 HydrophobicContact CD1-CD1 3.8Å; F98-I107 HydrophobicContact CD1-CG1 3.72Å; F98-I107 HydrophobicContact CE1-CD1 3.46Å; F98-I107 VanDerWaalsContact CE1-CD1 3.46Å; F98-I107 HydrophobicContact CE1-CG1 3.94Å; F98-I107 HydrophobicContact CG-CG1 4.46Å; F98-I107 HydrophobicContact CZ-CD1 4.08Å; I107-V118 WeakPolarHBondContact O-CA 3.41Å; I107-H119 PolarHBondContact N-O 3.24Å; I107-H119 PolarHBondContact O-N 2.93Å; I107-I121 HydrophobicContact CD1-CD1 4.44Å; I107-I121 HydrophobicContact CD1-CG2 3.62Å; I107-I121 HydrophobicContact CG1-CG2 3.98Å |
| 108 | V | 96.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132.8 | 174.8 | -165.6 | 0 | 0 | 0 | 0 | 109.4 | V96 K97 L99 I116 R117 V118 L140 F150 | V96-V108 CarbonylContact C-O 3.58Å; V96-V108 WeakPolarHBondContact CA-O 3.22Å; K97-V108 PolarHBondContact N-O 3.18Å; K97-V108 PolarHBondContact O-N 3.36Å; L99-V108 HydrophobicContact CD1-CG2 3.66Å; L99-V108 HydrophobicContact CD2-CG2 3.74Å; L99-V108 HydrophobicContact CG-CG2 3.7Å; V108-I116 HydrophobicContact CG1-CG2 3.38Å; V108-R117 CarbonylContact C-O 3.3Å; V108-R117 VanDerWaalsContact CA-O 3.26Å; V108-R117 WeakPolarHBondContact CA-O 3.36Å; V108-R117 WeakPolarHBondContact CG1-O 3.25Å; V108-V118 HydrophobicContact CG1-CG2 4.3Å; V108-V118 HydrophobicContact CG2-CG2 4.22Å; V108-L140 HydrophobicContact CB-CD1 4Å; V108-L140 HydrophobicContact CG1-CD1 3.65Å; V108-L140 HydrophobicContact CG1-CD2 4.41Å; V108-F150 HydrophobicContact CG1-CD2 4.17Å; V108-F150 HydrophobicContact CG1-CE2 3.84Å; V108-F150 HydrophobicContact CG1-CZ 4.09Å; V108-F150 HydrophobicContact CG2-CD1 4.33Å; V108-F150 HydrophobicContact CG2-CE1 4.44Å; V108-F150 HydrophobicContact CG2-CG 4.44Å |
| 109 | T | 98.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 142.6 | 173.3 | 58.4 | 0 | 0 | 0 | 0 | 110.5 | L71 T87 H89 S95 V96 I116 R117 H119 | L71-T109 HydrophobicContact CD1-CG2 4.47Å; T87-T109 HydrophobicContact CG2-CG2 4.31Å; H89-T109 PolarHBondContact NE2-OG1 3.14Å; H89-T109 VanDerWaalsContact NE2-OG1 3.16Å; S95-T109 CarbonylContact O-C 3.59Å; S95-T109 WeakPolarHBondContact O-CA 3.39Å; V96-T109 HydrophobicContact CG2-CG2 4.23Å; T109-I116 CarbonylContact O-C 3.58Å; T109-I116 VanDerWaalsContact O-CA 3.29Å; T109-I116 WeakPolarHBondContact O-CA 3.39Å; T109-I116 WeakPolarHBondContact O-CG2 3.34Å; T109-R117 PolarHBondContact N-O 3.15Å; T109-R117 PolarHBondContact O-N 3.46Å; T109-H119 PolarHBondContact OG1-NE2 3.06Å |
| 110 | G | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F94 S95 | F94-G110 PolarHBondContact N-O 2.97Å; S95-G110 PolarHBondContact N-O 3.09Å; S95-G110 VanDerWaalsContact N-O 3.14Å; S95-G110 PolarHBondContact O-N 3.47Å |
| 111 | A | 98 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 172.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | H89 N92 I93 D113 S114 K115 V137 | H89-A111 HydrophobicContact CB-CB 4.15Å; H89-A111 VanDerWaalsContact ND1-CB 3.33Å; H89-A111 WeakPolarHBondContact ND1-CB 3.46Å; N92-A111 CarbonylContact O-C 3.59Å; N92-A111 VanDerWaalsContact O-CA 3.26Å; N92-A111 WeakPolarHBondContact O-CA 3.5Å; N92-A111 VanDerWaalsContact O-CB 3.29Å; N92-A111 WeakPolarHBondContact O-CB 3.33Å; I93-A111 HydrophobicContact CG1-CB 4.46Å; A111-D113 PolarHBondContact O-N 3.28Å; A111-S114 PolarHBondContact O-N 3.48Å; A111-K115 PolarHBondContact N-O 3.49Å; A111-V137 PolarHBondContact O-N 3.18Å |
| 112 | A | 97 | Very high | 92 | Very high | 20 Ų | 20 | 30.4 Ų | 30.4 | 17% | 0.165 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -16.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A91 N92 F94 S114 R136 | A91-A112 HydrophobicContact CB-CB 3.71Å; N92-A112 HydrophobicContact CB-CB 4.38Å; N92-A112 PolarHBondContact O-N 3.19Å; F94-A112 HydrophobicContact CD2-CB 4.33Å; F94-A112 HydrophobicContact CE2-CB 3.55Å; F94-A112 HydrophobicContact CZ-CB 4.03Å; A112-S114 PolarHBondContact O-N 3.45Å; A112-R136 HydrophobicContact CB-CG 4.16Å |
| 113 | D | 96.2 | Very high | 92.8 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 12% | 0.123 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 15.1 | 177.9 | 70.2 | -4.2 | 0 | 0 | 0 | 114 | H89 V90 A91 A111 K115 R117 | H89-D113 VanDerWaalsContact CA-OD2 3.31Å; H89-D113 WeakPolarHBondContact CA-OD2 3.34Å; H89-D113 IonicContact CE1-OD1 3.77Å; H89-D113 PolarHBondContact CE1-OD1 3.05Å; H89-D113 IonicContact CG-OD1 2.92Å; H89-D113 IonicContact CG-OD2 2.87Å; H89-D113 IonicContact ND1-OD1 3.2Å; H89-D113 PolarHBondContact ND1-OD1 3.41Å; H89-D113 IonicContact ND1-OD2 3.3Å; H89-D113 PolarHBondContact ND1-OD2 3.44Å; V90-D113 HydrophobicContact CG2-CB 3.42Å; V90-D113 VanDerWaalsContact CG2-CB 3.42Å; V90-D113 PolarHBondContact N-OD2 3.14Å; A91-D113 HydrophobicContact CB-CB 4.19Å; A111-D113 PolarHBondContact O-N 3.28Å; D113-K115 PolarHBondContact O-N 2.98Å; D113-K115 VanDerWaalsContact O-N 3.14Å; D113-K115 WeakPolarHBondContact OD1-CB 3.47Å; D113-K115 PolarHBondContact OD1-N 3.32Å; D113-R117 IonicContact OD2-NH1 3.48Å |
| 114 | S | 95.8 | Very high | 93.9 | Very high | 27 Ų | 27 | 30.7 Ų | 30.7 | 19% | 0.189 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 60 | 13.6 | -177 | -49.9 | 0 | 0 | 0 | 0 | 114.8 | A111 A112 H133 G135 | A111-S114 PolarHBondContact O-N 3.48Å; A112-S114 PolarHBondContact O-N 3.45Å; S114-H133 WeakPolarHBondContact CB-O 3.41Å; S114-G135 WeakPolarHBondContact CB-O 3.47Å; S114-G135 PolarHBondContact OG-N 3Å; S114-G135 PolarHBondContact OG-O 3.39Å; S114-G135 VanDerWaalsContact OG-O 3.13Å |
| 115 | K | 95.7 | Very high | 94.8 | Very high | 70 Ų | 70 | 33.9 Ų | 33.9 | 30% | 0.304 | 18% | 0.177 | S | C | . | . | trans | -105.1 | 155.6 | 178.2 | -63.8 | 175.2 | -178.2 | 175.3 | 0 | 111.6 | H89 A111 D113 V129 F130 S131 | H89-K115 PolarHBondContact CE1-O 2.91Å; A111-K115 PolarHBondContact N-O 3.49Å; D113-K115 PolarHBondContact O-N 2.98Å; D113-K115 VanDerWaalsContact O-N 3.14Å; D113-K115 WeakPolarHBondContact OD1-CB 3.47Å; D113-K115 PolarHBondContact OD1-N 3.32Å; K115-V129 HydrophobicContact CD-CG1 4.32Å; K115-F130 WeakPolarHBondContact CA-O 3.32Å; K115-S131 WeakPolarHBondContact CE-OG 3.34Å | ||
| 116 | I | 97.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.1 | 166.8 | -57.3 | 172.6 | 0 | 0 | 0 | 107.3 | V108 T109 F130 V137 L140 F150 F162 | V108-I116 HydrophobicContact CG1-CG2 3.38Å; T109-I116 CarbonylContact O-C 3.58Å; T109-I116 VanDerWaalsContact O-CA 3.29Å; T109-I116 WeakPolarHBondContact O-CA 3.39Å; T109-I116 WeakPolarHBondContact O-CG2 3.34Å; I116-F130 HydrophobicContact CB-CB 4.27Å; I116-F130 HydrophobicContact CB-CD2 4.4Å; I116-F130 HydrophobicContact CG2-CD2 4.43Å; I116-F130 PolarHBondContact N-O 3.47Å; I116-F130 PolarHBondContact O-N 3.41Å; I116-V137 HydrophobicContact CD1-CG1 4.14Å; I116-V137 HydrophobicContact CD1-CG2 4.34Å; I116-V137 HydrophobicContact CG1-CB 4.44Å; I116-V137 HydrophobicContact CG1-CG1 4.03Å; I116-V137 HydrophobicContact CG1-CG2 3.93Å; I116-L140 HydrophobicContact CD1-CD2 4Å; I116-L140 HydrophobicContact CG1-CD2 4.38Å; I116-L140 HydrophobicContact CG2-CD2 4.17Å; I116-F150 HydrophobicContact CG2-CE2 3.92Å; I116-F150 HydrophobicContact CG2-CZ 4.28Å; I116-F162 HydrophobicContact CD1-CD2 4.42Å; I116-F162 HydrophobicContact CD1-CE2 3.48Å; I116-F162 VanDerWaalsContact CD1-CE2 3.48Å; I116-F162 HydrophobicContact CD1-CZ 3.71Å |
| 117 | R | 96.5 | Very high | 94.9 | Very high | 32 Ų | 32 | 40.5 Ų | 40.5 | 12% | 0.121 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 145.8 | 177.6 | -73.3 | -172.8 | 163.6 | 96.1 | -13.8 | 111.4 | T87 G88 H89 V108 T109 D113 T126 H128 V129 | T87-R117 WeakPolarHBondContact O-CD 3.3Å; T87-R117 PolarHBondContact O-NE 3.45Å; G88-R117 VanDerWaalsContact C-NH2 3.33Å; G88-R117 PolarHBondContact O-NH1 2.73Å; G88-R117 PolarHBondContact O-NH2 3.33Å; H89-R117 VanDerWaalsContact CA-NH1 3.26Å; H89-R117 PolarHBondContact CE1-NH1 2.87Å; H89-R117 VanDerWaalsContact CG-NH1 3.3Å; H89-R117 PolarHBondContact ND1-NH1 2.92Å; V108-R117 CarbonylContact C-O 3.3Å; V108-R117 VanDerWaalsContact CA-O 3.26Å; V108-R117 WeakPolarHBondContact CA-O 3.36Å; V108-R117 WeakPolarHBondContact CG1-O 3.25Å; T109-R117 PolarHBondContact N-O 3.15Å; T109-R117 PolarHBondContact O-N 3.46Å; D113-R117 IonicContact OD2-NH1 3.48Å; R117-T126 HydrophobicContact CB-CG2 3.97Å; R117-T126 HydrophobicContact CG-CG2 4Å; R117-H128 WeakPolarHBondContact CA-O 3.34Å; R117-V129 HydrophobicContact CG-CG1 4.21Å; R117-V129 HydrophobicContact CG-CG2 4.2Å |
| 118 | V | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.1 | 173.1 | -173.1 | 0 | 0 | 0 | 0 | 107.3 | I107 V108 T126 R127 H128 F130 F150 L164 | I107-V118 WeakPolarHBondContact O-CA 3.41Å; V108-V118 HydrophobicContact CG1-CG2 4.3Å; V108-V118 HydrophobicContact CG2-CG2 4.22Å; V118-T126 CarbonylContact O-C 3.52Å; V118-R127 PolarHBondContact O-N 3.38Å; V118-H128 HydrophobicContact CB-CB 4.03Å; V118-H128 HydrophobicContact CG2-CB 4.03Å; V118-H128 PolarHBondContact N-O 2.72Å; V118-H128 PolarHBondContact O-N 3.3Å; V118-F130 HydrophobicContact CG2-CE2 3.82Å; V118-F150 HydrophobicContact CG2-CE1 4.34Å; V118-F150 HydrophobicContact CG2-CZ 4.35Å; V118-L164 HydrophobicContact CG1-CD2 4.4Å; V118-L164 HydrophobicContact CG2-CD2 3.99Å |
| 119 | H | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 141 | -176.8 | -48.1 | -76.2 | 0 | 0 | 0 | 110.3 | M85 L106 I107 T109 E125 T126 | M85-H119 HydrophobicContact CE-CB 3.44Å; M85-H119 VanDerWaalsContact CE-CB 3.44Å; M85-H119 HydrophobicContact SD-CB 4.22Å; L106-H119 WeakPolarHBondContact CA-O 3.42Å; I107-H119 PolarHBondContact N-O 3.24Å; I107-H119 PolarHBondContact O-N 2.93Å; T109-H119 PolarHBondContact OG1-NE2 3.06Å; H119-E125 VanDerWaalsContact CA-O 3.32Å; H119-E125 WeakPolarHBondContact CA-O 3.15Å; H119-T126 PolarHBondContact CE1-OG1 2.91Å; H119-T126 PolarHBondContact ND1-OG1 3.02Å |
| 120 | D | 93.7 | Very high | 94.4 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 16% | 0.155 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 112.6 | 166.7 | -171.2 | -48.7 | 0 | 0 | 0 | 108.6 | L106 K122 A123 L124 E125 | L106-D120 HydrophobicContact CD2-CB 3.83Å; D120-K122 VanDerWaalsContact C-N 3.25Å; D120-K122 PolarHBondContact O-N 2.71Å; D120-K122 WeakPolarHBondContact OD1-CA 3.39Å; D120-K122 WeakPolarHBondContact OD1-CB 3.44Å; D120-K122 PolarHBondContact OD1-N 2.98Å; D120-A123 HydrophobicContact CB-CB 4.11Å; D120-A123 PolarHBondContact OD1-N 3.49Å; D120-L124 WeakPolarHBondContact O-CA 3.35Å; D120-L124 PolarHBondContact O-N 3.03Å; D120-E125 PolarHBondContact N-O 3.25Å; D120-E125 PolarHBondContact O-N 3.19Å |
| 121 | I | 92.3 | Very high | 94.1 | Very high | 40 Ų | 40 | 48.4 Ų | 48.4 | 21% | 0.205 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14.1 | -175.6 | 72.5 | -167.7 | 0 | 0 | 0 | 113.3 | L83 N105 I107 L124 | L83-I121 HydrophobicContact CD2-CB 3.92Å; L83-I121 HydrophobicContact CD2-CG2 4.2Å; N105-I121 WeakPolarHBondContact O-CG1 3.3Å; N105-I121 PolarHBondContact O-N 2.73Å; I107-I121 HydrophobicContact CD1-CD1 4.44Å; I107-I121 HydrophobicContact CD1-CG2 3.62Å; I107-I121 HydrophobicContact CG1-CG2 3.98Å; I121-L124 WeakPolarHBondContact O-CD2 3.21Å |
| 122 | K | 90.5 | Very high | 93.7 | Very high | 154 Ų | 154 | 49.8 Ų | 49.8 | 67% | 0.67 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -38.4 | 175.1 | -75 | -175.5 | 173.8 | 149.3 | 0 | 111.6 | N105 D120 L124 | N105-K122 VanDerWaalsContact OD1-CD 3.28Å; N105-K122 WeakPolarHBondContact OD1-CD 3.41Å; N105-K122 WeakPolarHBondContact OD1-CE 3.32Å; N105-K122 PolarHBondContact OD1-NZ 3.36Å; D120-K122 VanDerWaalsContact C-N 3.25Å; D120-K122 PolarHBondContact O-N 2.71Å; D120-K122 WeakPolarHBondContact OD1-CA 3.39Å; D120-K122 WeakPolarHBondContact OD1-CB 3.44Å; D120-K122 PolarHBondContact OD1-N 2.98Å; K122-L124 VanDerWaalsContact C-N 3.34Å |
| 123 | A | 91.9 | Very high | 93.5 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -12.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D120 E125 | D120-A123 HydrophobicContact CB-CB 4.11Å; D120-A123 PolarHBondContact OD1-N 3.49Å; A123-E125 HydrophobicContact CB-CG 3.84Å; A123-E125 PolarHBondContact O-N 3.46Å |
| 124 | L | 92.1 | Very high | 93.3 | Very high | 109 Ų | 109 | 50.9 Ų | 50.9 | 57% | 0.571 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 31.9 | -177 | -58.7 | 176.2 | 0 | 0 | 0 | 113.4 | L83 D120 I121 K122 | L83-L124 HydrophobicContact CD1-CD2 3.52Å; L83-L124 HydrophobicContact CD2-CD2 3.88Å; L83-L124 HydrophobicContact CG-CD2 4.38Å; D120-L124 WeakPolarHBondContact O-CA 3.35Å; D120-L124 PolarHBondContact O-N 3.03Å; I121-L124 WeakPolarHBondContact O-CD2 3.21Å; K122-L124 VanDerWaalsContact C-N 3.34Å |
| 125 | E | 92.9 | Very high | 93.1 | Very high | 108 Ų | 108 | 50.1 Ų | 50.1 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 161.1 | -175.8 | 73 | 177.6 | -173.9 | 0 | 0 | 113 | H119 D120 A123 | H119-E125 VanDerWaalsContact CA-O 3.32Å; H119-E125 WeakPolarHBondContact CA-O 3.15Å; D120-E125 PolarHBondContact N-O 3.25Å; D120-E125 PolarHBondContact O-N 3.19Å; A123-E125 HydrophobicContact CB-CG 3.84Å; A123-E125 PolarHBondContact O-N 3.46Å |
| 126 | T | 93.4 | Very high | 93.1 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 32% | 0.319 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 103.6 | 170 | -58.9 | 0 | 0 | 0 | 0 | 109.2 | R117 V118 H119 H128 V129 | R117-T126 HydrophobicContact CB-CG2 3.97Å; R117-T126 HydrophobicContact CG-CG2 4Å; V118-T126 CarbonylContact O-C 3.52Å; H119-T126 PolarHBondContact CE1-OG1 2.91Å; H119-T126 PolarHBondContact ND1-OG1 3.02Å; T126-H128 WeakPolarHBondContact CG2-O 3.43Å; T126-V129 HydrophobicContact CG2-CG2 3.79Å |
| 127 | R | 90.7 | Very high | 93.1 | Very high | 128 Ų | 128 | 51.6 Ų | 51.6 | 48% | 0.483 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | -35.1 | -174.9 | -175.2 | -176.5 | 155.8 | 147.7 | 0.6 | 113.5 | V118 | V118-R127 PolarHBondContact O-N 3.38Å |
| 128 | H | 91.8 | Very high | 93.1 | Very high | 35 Ų | 35 | 50.4 Ų | 50.4 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 145.1 | 178.7 | -57.5 | -75.1 | 0 | 0 | 0 | 111.7 | R117 V118 T126 F130 T170 | R117-H128 WeakPolarHBondContact CA-O 3.34Å; V118-H128 HydrophobicContact CB-CB 4.03Å; V118-H128 HydrophobicContact CG2-CB 4.03Å; V118-H128 PolarHBondContact N-O 2.72Å; V118-H128 PolarHBondContact O-N 3.3Å; T126-H128 WeakPolarHBondContact CG2-O 3.43Å; H128-F130 HydrophobicContact CB-CE2 3.83Å; H128-F130 HydrophobicContact CB-CZ 4.11Å; H128-T170 HydrophobicContact CB-CG2 4.25Å |
| 129 | V | 93.5 | Very high | 93.2 | Very high | 54 Ų | 54 | 51.7 Ų | 51.7 | 33% | 0.327 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 111.4 | 173.9 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | K115 R117 T126 | K115-V129 HydrophobicContact CD-CG1 4.32Å; R117-V129 HydrophobicContact CG-CG1 4.21Å; R117-V129 HydrophobicContact CG-CG2 4.2Å; T126-V129 HydrophobicContact CG2-CG2 3.79Å |
| 130 | F | 93.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 118.4 | 175.9 | -55.7 | -85.9 | 0 | 0 | 0 | 109.2 | K115 I116 V118 H128 F150 F162 L164 Q169 T170 | K115-F130 WeakPolarHBondContact CA-O 3.32Å; I116-F130 HydrophobicContact CB-CB 4.27Å; I116-F130 HydrophobicContact CB-CD2 4.4Å; I116-F130 HydrophobicContact CG2-CD2 4.43Å; I116-F130 PolarHBondContact N-O 3.47Å; I116-F130 PolarHBondContact O-N 3.41Å; V118-F130 HydrophobicContact CG2-CE2 3.82Å; H128-F130 HydrophobicContact CB-CE2 3.83Å; H128-F130 HydrophobicContact CB-CZ 4.11Å; F130-F150 HydrophobicContact CD2-CZ 4.16Å; F130-F150 HydrophobicContact CE2-CE1 4.26Å; F130-F150 AromaticContact CE2-CZ 3.75Å; F130-F150 HydrophobicContact CE2-CZ 3.75Å; F130-F150 HydrophobicContact CZ-CZ 4.38Å; F130-F162 HydrophobicContact CB-CD1 4.44Å; F130-F162 HydrophobicContact CB-CE1 3.8Å; F130-F162 HydrophobicContact CB-CZ 4.34Å; F130-F162 AromaticContact CD1-CD1 3.52Å; F130-F162 HydrophobicContact CD1-CD1 3.52Å; F130-F162 AromaticContact CD1-CE1 3.61Å; F130-F162 HydrophobicContact CD1-CE1 3.61Å; F130-F162 HydrophobicContact CD2-CD1 4.27Å; F130-F162 HydrophobicContact CD2-CE1 4.41Å; F130-F162 AromaticContact CE1-CD1 3.7Å; F130-F162 HydrophobicContact CE1-CD1 3.7Å; F130-F162 HydrophobicContact CE1-CE1 4.27Å; F130-F162 HydrophobicContact CE2-CD1 4.43Å; F130-F162 AromaticContact CG-CD1 3.83Å; F130-F162 HydrophobicContact CG-CD1 3.83Å; F130-F162 AromaticContact CG-CE1 3.68Å; F130-F162 HydrophobicContact CG-CE1 3.68Å; F130-F162 HydrophobicContact CZ-CD1 4.16Å; F130-L164 HydrophobicContact CZ-CD2 4.42Å; F130-Q169 WeakPolarHBondContact CD1-O 3.31Å; F130-Q169 HydrophobicContact CE1-CB 4.03Å; F130-T170 HydrophobicContact CD1-CG2 4.15Å; F130-T170 HydrophobicContact CE1-CG2 3.59Å; F130-T170 HydrophobicContact CZ-CG2 3.97Å |
| 131 | S | 92.2 | Very high | 93.5 | Very high | 74 Ų | 74 | 50.7 Ų | 50.7 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | trans | -114.7 | 34.7 | -179.4 | -53.8 | 0 | 0 | 0 | 0 | 112 | K115 | K115-S131 WeakPolarHBondContact CE-OG 3.34Š| ||
| 132 | C | 89.8 | Confident | 93.6 | Very high | 28 Ų | 28 | 50.6 Ų | 50.6 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | trans | -91.5 | -16.2 | -169.4 | 68.5 | 0 | 0 | 0 | 0 | 114.8 | R160 P175 N177 | C132-R160 PolarHBondContact O-NH1 2.99Å; C132-R160 PolarHBondContact O-NH2 3.38Å; C132-P175 HydrophobicContact CB-CG 3.6Å; C132-N177 PolarHBondContact SG-ND2 3.12Å | ||
| 133 | H | 92.2 | Very high | 93.6 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 6% | 0.06 | 24% | 0.235 | C | C | . | . | trans | -81.4 | 151.1 | 175 | -76.9 | -71.4 | 0 | 0 | 0 | 111.8 | S114 V137 S152 S154 D156 T158 R160 | S114-H133 WeakPolarHBondContact CB-O 3.41Å; H133-V137 HydrophobicContact CB-CG2 4.34Å; H133-S152 PolarHBondContact NE2-OG 3.12Å; H133-S152 VanDerWaalsContact NE2-OG 3.08Å; H133-S154 WeakPolarHBondContact CE1-CB 3.36Å; H133-S154 WeakPolarHBondContact ND1-CB 3.35Å; H133-S154 PolarHBondContact ND1-OG 3.25Å; H133-D156 WeakPolarHBondContact CA-OD2 3.39Å; H133-D156 IonicContact CE1-OD1 3.09Å; H133-D156 IonicContact CE1-OD2 2.85Å; H133-D156 IonicContact CG-OD2 3.25Å; H133-D156 VanDerWaalsContact ND1-CG 3.31Å; H133-D156 IonicContact ND1-OD1 3.16Å; H133-D156 PolarHBondContact ND1-OD1 2.89Å; H133-D156 IonicContact ND1-OD2 2.79Å; H133-D156 PolarHBondContact ND1-OD2 3.4Å; H133-T158 PolarHBondContact CE1-OG1 3.45Å; H133-T158 PolarHBondContact ND1-OG1 2.85Å; H133-R160 WeakPolarHBondContact CE1-CD 3.41Å; H133-R160 PolarHBondContact CE1-NE 3.2Å; H133-R160 PolarHBondContact ND1-NE 2.96Å | ||
| 134 | S | 91.6 | Very high | 93.3 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 37% | 0.371 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -110.6 | 13.8 | 173.3 | 69 | 0 | 0 | 0 | 0 | 114.1 | D156 Q233 | S134-D156 PolarHBondContact N-OD2 3.44Å; S134-D156 WeakPolarHBondContact OG-CB 3.21Å; S134-Q233 VanDerWaalsContact CB-OE1 3.32Å; S134-Q233 PolarHBondContact OG-OE1 3.42Å |
| 135 | G | 92.1 | Very high | 93 | Very high | 11 Ų | 11 | 42.8 Ų | 42.8 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -148 | 166.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S114 V137 S154 | S114-G135 WeakPolarHBondContact CB-O 3.47Å; S114-G135 PolarHBondContact OG-N 3Å; S114-G135 PolarHBondContact OG-O 3.39Å; S114-G135 VanDerWaalsContact OG-O 3.13Å; G135-V137 PolarHBondContact O-N 3.41Å; G135-S154 VanDerWaalsContact C-OG 3.26Å; G135-S154 PolarHBondContact O-OG 3.13Å |
| 136 | R | 95.5 | Very high | 92.9 | Very high | 103 Ų | 103 | 40 Ų | 40 | 39% | 0.389 | 22% | 0.22 | S | C | . | . | trans | -55.6 | 131 | -176.1 | -57.3 | -174.6 | -67.8 | -168.6 | -5.7 | 110.2 | F94 A112 K138 S154 E155 | F94-R136 HydrophobicContact CE2-CB 4.25Å; A112-R136 HydrophobicContact CB-CG 4.16Å; R136-K138 PolarHBondContact O-N 2.88Å; R136-S154 WeakPolarHBondContact O-CA 3.36Å; R136-S154 PolarHBondContact O-OG 2.92Å; R136-E155 HydrophobicContact CB-CG 4.46Å; R136-E155 WeakPolarHBondContact CB-OE2 3.43Å; R136-E155 WeakPolarHBondContact CG-OE2 3.27Å; R136-E155 IonicContact CZ-OE1 2.87Å; R136-E155 IonicContact CZ-OE2 3.91Å; R136-E155 IonicContact NE-OE1 2.68Å; R136-E155 PolarHBondContact NE-OE1 3.37Å; R136-E155 IonicContact NE-OE2 3.65Å; R136-E155 PolarHBondContact NE-OE2 3.32Å; R136-E155 IonicContact NH2-OE1 3.5Å; R136-E155 PolarHBondContact NH2-OE1 2.84Å; R136-E155 IonicContact NH2-OE2 2.79Å; R136-E155 PolarHBondContact NH2-OE2 2.82Å; R136-E155 PolarHBondContact O-N 3.14Å; R136-E155 VanDerWaalsContact O-N 3.07Å | ||
| 137 | V | 97.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 113.6 | 175.4 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | A111 I116 H133 G135 L140 | A111-V137 PolarHBondContact O-N 3.18Å; I116-V137 HydrophobicContact CD1-CG1 4.14Å; I116-V137 HydrophobicContact CD1-CG2 4.34Å; I116-V137 HydrophobicContact CG1-CB 4.44Å; I116-V137 HydrophobicContact CG1-CG1 4.03Å; I116-V137 HydrophobicContact CG1-CG2 3.93Å; H133-V137 HydrophobicContact CB-CG2 4.34Å; G135-V137 PolarHBondContact O-N 3.41Å; V137-L140 HydrophobicContact CG1-CD2 4.32Å |
| 138 | K | 96.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -35.6 | -170.6 | -72.1 | -75.8 | -174.9 | 170.4 | 0 | 113.4 | F94 R136 A153 E155 K193 D695 I696 | F94-K138 HydrophobicContact CD2-CD 4.2Å; F94-K138 HydrophobicContact CE2-CD 4.48Å; R136-K138 PolarHBondContact O-N 2.88Å; K138-A153 PolarHBondContact N-O 3.46Å; K138-E155 VanDerWaalsContact CE-CD 3.48Å; K138-E155 WeakPolarHBondContact CE-OE1 3.23Å; K138-E155 HydrophobicContact CG-CG 4.12Å; K138-E155 IonicContact NZ-OE1 2.77Å; K138-E155 PolarHBondContact NZ-OE1 2.8Å; K138-K193 WeakPolarHBondContact CB-O 3.44Å; K138-K193 HydrophobicContact CG-CD 4.25Å; K138-D695 WeakPolarHBondContact CE-OD2 3.38Å; K138-D695 IonicContact NZ-OD1 2.75Å; K138-D695 PolarHBondContact NZ-OD1 3.19Å; K138-D695 IonicContact NZ-OD2 3.58Å; K138-D695 PolarHBondContact NZ-OD2 3.48Å; K138-I696 HydrophobicContact CD-CG2 4.06Å |
| 139 | R | 97.7 | Very high | 92.8 | Very high | 28 Ų | 28 | 36 Ų | 36 | 11% | 0.106 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 139.3 | -176.7 | -160.6 | 67.2 | 169.4 | -178.8 | -0.5 | 111.9 | S152 A153 C194 I195 E698 | R139-S152 CarbonylContact O-C 3.59Å; R139-S152 WeakPolarHBondContact O-CA 3.5Å; R139-A153 HydrophobicContact CB-CB 4.41Å; R139-A153 PolarHBondContact N-O 3.27Å; R139-A153 PolarHBondContact O-N 2.78Å; R139-C194 HydrophobicContact CG-CB 4.47Å; R139-I195 HydrophobicContact CB-CG2 4.19Å; R139-I195 HydrophobicContact CG-CG2 4.3Å; R139-E698 IonicContact CZ-OE1 2.68Å; R139-E698 IonicContact CZ-OE2 3.63Å; R139-E698 IonicContact NH1-OE1 2.66Å; R139-E698 PolarHBondContact NH1-OE1 3.33Å; R139-E698 IonicContact NH1-OE2 2.73Å; R139-E698 IonicContact NH2-OE1 2.97Å; R139-E698 PolarHBondContact NH2-OE1 3.21Å; R139-E698 IonicContact NH2-OE2 2.69Å; R139-E698 PolarHBondContact NH2-OE2 3.01Å |
| 140 | L | 97.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 149.4 | 167.8 | -63.4 | 171.6 | 0 | 0 | 0 | 109.9 | S95 K97 V108 I116 V137 F150 W151 | S95-L140 PolarHBondContact OG-N 2.82Å; K97-L140 VanDerWaalsContact CE-O 3.3Å; K97-L140 WeakPolarHBondContact CE-O 3.29Å; K97-L140 HydrophobicContact CG-CB 3.8Å; V108-L140 HydrophobicContact CB-CD1 4Å; V108-L140 HydrophobicContact CG1-CD1 3.65Å; V108-L140 HydrophobicContact CG1-CD2 4.41Å; I116-L140 HydrophobicContact CD1-CD2 4Å; I116-L140 HydrophobicContact CG1-CD2 4.38Å; I116-L140 HydrophobicContact CG2-CD2 4.17Å; V137-L140 HydrophobicContact CG1-CD2 4.32Å; L140-F150 HydrophobicContact CD2-CD2 4.44Å; L140-W151 WeakPolarHBondContact CA-O 3.38Å |
| 141 | A | 96.8 | Very high | 93 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 154 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F150 W151 I195 V197 | A141-F150 CarbonylContact O-C 3.47Å; A141-F150 WeakPolarHBondContact O-CA 3.07Å; A141-F150 WeakPolarHBondContact O-CB 3.35Å; A141-W151 PolarHBondContact N-O 3.1Å; A141-W151 PolarHBondContact O-N 3.05Å; A141-I195 HydrophobicContact CB-CG1 4.42Å; A141-I195 HydrophobicContact CB-CG2 4.04Å; A141-V197 HydrophobicContact CB-CG2 4.12Å |
| 142 | N | 93.9 | Very high | 93.3 | Very high | 37 Ų | 37 | 29.8 Ų | 29.8 | 20% | 0.198 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 179.9 | 174.8 | 63.4 | -28.2 | 0 | 0 | 0 | 109.4 | F98 L99 F150 | F98-N142 PolarHBondContact O-ND2 3.27Å; L99-N142 HydrophobicContact CD2-CB 4.21Å; N142-F150 HydrophobicContact CB-CB 4.08Å |
| 143 | T | 91 | Very high | 93.6 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 4% | 0.043 | 16% | 0.157 | C | C | . | . | trans | -144.4 | 136.4 | 174.7 | 179.1 | 0 | 0 | 0 | 0 | 110 | S145 E146 W151 | T143-S145 WeakPolarHBondContact CG2-OG 3.49Å; T143-S145 PolarHBondContact O-N 3.43Å; T143-S145 VanDerWaalsContact O-N 3.13Å; T143-S145 PolarHBondContact OG1-N 2.94Å; T143-S145 PolarHBondContact OG1-OG 3.38Å; T143-E146 HydrophobicContact CG2-CB 3.77Å; T143-E146 HydrophobicContact CG2-CG 4.12Å; T143-E146 PolarHBondContact O-N 3.25Å; T143-W151 HydrophobicContact CG2-CH2 3.76Å; T143-W151 HydrophobicContact CG2-CZ3 3.84Å | ||
| 144 | P | 85.7 | Confident | 93.8 | Very high | 75 Ų | 75 | 27.9 Ų | 27.9 | 49% | 0.487 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.6 | 176.8 | -26.7 | 35.2 | 0 | 0 | 0 | 113.6 | S101 E146 | S101-P144 WeakPolarHBondContact OG-CA 3.41Å; S101-P144 PolarHBondContact OG-O 3.49Å; P144-E146 VanDerWaalsContact C-N 3.28Å; P144-E146 PolarHBondContact O-N 3.13Å |
| 145 | S | 86.6 | Confident | 94 | Very high | 75 Ų | 75 | 26.1 Ų | 26.1 | 52% | 0.524 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -19.4 | 180 | 64.9 | 0 | 0 | 0 | 0 | 114.9 | T143 S202 | T143-S145 WeakPolarHBondContact CG2-OG 3.49Å; T143-S145 PolarHBondContact O-N 3.43Å; T143-S145 VanDerWaalsContact O-N 3.13Å; T143-S145 PolarHBondContact OG1-N 2.94Å; T143-S145 PolarHBondContact OG1-OG 3.38Å; S145-S202 WeakPolarHBondContact OG-CB 3.4Å; S145-S202 PolarHBondContact OG-OG 3.08Å |
| 146 | E | 90.2 | Very high | 93.9 | Very high | 50 Ų | 50 | 25.6 Ų | 25.6 | 23% | 0.234 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -132 | 74.6 | -178.1 | -64.5 | -175 | 156.6 | 0 | 0 | 110.3 | T143 P144 F148 L149 W151 R219 | T143-E146 HydrophobicContact CG2-CB 3.77Å; T143-E146 HydrophobicContact CG2-CG 4.12Å; T143-E146 PolarHBondContact O-N 3.25Å; P144-E146 VanDerWaalsContact C-N 3.28Å; P144-E146 PolarHBondContact O-N 3.13Å; E146-F148 PolarHBondContact O-N 3.15Å; E146-L149 HydrophobicContact CB-CB 4.06Å; E146-L149 HydrophobicContact CB-CD1 4.21Å; E146-L149 HydrophobicContact CB-CG 4.34Å; E146-L149 PolarHBondContact O-N 3.35Å; E146-L149 VanDerWaalsContact OE2-CD1 3.32Å; E146-L149 WeakPolarHBondContact OE2-CD1 3.47Å; E146-W151 WeakPolarHBondContact OE2-CH2 3.47Å; E146-R219 IonicContact OE1-CZ 2.67Å; E146-R219 IonicContact OE1-NH1 2.72Å; E146-R219 PolarHBondContact OE1-NH1 3.16Å; E146-R219 IonicContact OE1-NH2 3.87Å; E146-R219 PolarHBondContact OE1-NH2 3.01Å; E146-R219 IonicContact OE2-CZ 3.18Å; E146-R219 IonicContact OE2-NH1 3.29Å; E146-R219 PolarHBondContact OE2-NH1 3.26Å; E146-R219 IonicContact OE2-NH2 2.74Å; E146-R219 PolarHBondContact OE2-NH2 3.43Å |
| 147 | P | 89.1 | Confident | 93.7 | Very high | 41 Ų | 41 | 20.7 Ų | 20.7 | 27% | 0.266 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -33.7 | -168.5 | 4 | -22.4 | 0 | 0 | 0 | 117 | L102 | L102-P147 VanDerWaalsContact CD1-O 3.3Å; L102-P147 WeakPolarHBondContact CD1-O 3.18Å; L102-P147 HydrophobicContact CD2-CB 3.85Å; L102-P147 HydrophobicContact CG-CB 4.08Å |
| 148 | F | 90.9 | Very high | 93.5 | Very high | 72 Ų | 72 | 20.7 Ų | 20.7 | 32% | 0.316 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -5.2 | -173.5 | -56.6 | -79.6 | 0 | 0 | 0 | 113.5 | L102 E146 D163 L164 R165 | L102-F148 HydrophobicContact CD1-CD1 4.03Å; L102-F148 HydrophobicContact CD1-CE1 4.23Å; L102-F148 HydrophobicContact CD2-CD1 4.13Å; L102-F148 HydrophobicContact CD2-CE1 3.61Å; L102-F148 HydrophobicContact CD2-CZ 3.86Å; E146-F148 PolarHBondContact O-N 3.15Å; F148-D163 WeakPolarHBondContact O-CA 3.3Å; F148-L164 HydrophobicContact CB-CB 4.49Å; F148-L164 PolarHBondContact O-N 2.89Å; F148-R165 HydrophobicContact CB-CG 3.96Å; F148-R165 HydrophobicContact CD1-CG 3.64Å; F148-R165 HydrophobicContact CD2-CG 4.27Å; F148-R165 HydrophobicContact CE1-CG 4.18Å; F148-R165 HydrophobicContact CG-CG 3.68Å |
| 149 | L | 93 | Very high | 93.5 | Very high | 16 Ų | 16 | 20.4 Ų | 20.4 | 8% | 0.084 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.6 | -176.8 | -63.8 | -176.4 | 0 | 0 | 0 | 111.9 | E146 W151 Q161 F162 D163 | E146-L149 HydrophobicContact CB-CB 4.06Å; E146-L149 HydrophobicContact CB-CD1 4.21Å; E146-L149 HydrophobicContact CB-CG 4.34Å; E146-L149 PolarHBondContact O-N 3.35Å; E146-L149 VanDerWaalsContact OE2-CD1 3.32Å; E146-L149 WeakPolarHBondContact OE2-CD1 3.47Å; L149-W151 HydrophobicContact CB-CH2 4.09Å; L149-W151 HydrophobicContact CB-CZ2 4.22Å; L149-Q161 HydrophobicContact CD2-CG 4.38Å; L149-F162 WeakPolarHBondContact CA-O 3.48Å; L149-F162 VanDerWaalsContact CD2-O 3.28Å; L149-F162 WeakPolarHBondContact CD2-O 3.42Å; L149-D163 HydrophobicContact CD2-CB 3.53Å |
| 150 | F | 95.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 1% | 0.013 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 162.8 | 167.2 | 69.6 | -89.4 | 0 | 0 | 0 | 110.2 | L99 V108 I116 V118 F130 L140 A141 N142 F162 L164 | L99-F150 HydrophobicContact CD2-CB 4.36Å; V108-F150 HydrophobicContact CG1-CD2 4.17Å; V108-F150 HydrophobicContact CG1-CE2 3.84Å; V108-F150 HydrophobicContact CG1-CZ 4.09Å; V108-F150 HydrophobicContact CG2-CD1 4.33Å; V108-F150 HydrophobicContact CG2-CE1 4.44Å; V108-F150 HydrophobicContact CG2-CG 4.44Å; I116-F150 HydrophobicContact CG2-CE2 3.92Å; I116-F150 HydrophobicContact CG2-CZ 4.28Å; V118-F150 HydrophobicContact CG2-CE1 4.34Å; V118-F150 HydrophobicContact CG2-CZ 4.35Å; F130-F150 HydrophobicContact CD2-CZ 4.16Å; F130-F150 HydrophobicContact CE2-CE1 4.26Å; F130-F150 AromaticContact CE2-CZ 3.75Å; F130-F150 HydrophobicContact CE2-CZ 3.75Å; F130-F150 HydrophobicContact CZ-CZ 4.38Å; L140-F150 HydrophobicContact CD2-CD2 4.44Å; A141-F150 CarbonylContact O-C 3.47Å; A141-F150 WeakPolarHBondContact O-CA 3.07Å; A141-F150 WeakPolarHBondContact O-CB 3.35Å; N142-F150 HydrophobicContact CB-CB 4.08Å; F150-F162 HydrophobicContact CD1-CB 3.94Å; F150-F162 HydrophobicContact CD2-CB 4.14Å; F150-F162 AromaticContact CD2-CD2 3.81Å; F150-F162 HydrophobicContact CD2-CD2 3.81Å; F150-F162 HydrophobicContact CD2-CG 4.33Å; F150-F162 HydrophobicContact CE1-CB 3.46Å; F150-F162 VanDerWaalsContact CE1-CB 3.46Å; F150-F162 HydrophobicContact CE1-CG 4.2Å; F150-F162 HydrophobicContact CE2-CB 3.68Å; F150-F162 AromaticContact CE2-CD2 3.24Å; F150-F162 HydrophobicContact CE2-CD2 3.24Å; F150-F162 HydrophobicContact CE2-CE2 4Å; F150-F162 AromaticContact CE2-CG 3.6Å; F150-F162 HydrophobicContact CE2-CG 3.6Å; F150-F162 HydrophobicContact CG-CB 4.26Å; F150-F162 HydrophobicContact CZ-CB 3.32Å; F150-F162 HydrophobicContact CZ-CD1 4.32Å; F150-F162 AromaticContact CZ-CD2 3.72Å; F150-F162 HydrophobicContact CZ-CD2 3.72Å; F150-F162 AromaticContact CZ-CG 3.53Å; F150-F162 HydrophobicContact CZ-CG 3.53Å; F150-F162 PolarHBondContact N-O 2.99Å; F150-F162 PolarHBondContact O-N 3.25Å; F150-L164 HydrophobicContact CE1-CD2 3.83Å; F150-L164 HydrophobicContact CE1-CG 4.25Å |
| 151 | W | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 162.2 | -177.3 | -58 | -91.9 | 0 | 0 | 0 | 111.6 | L140 A141 T143 E146 L149 R160 Q161 I195 V197 | L140-W151 WeakPolarHBondContact CA-O 3.38Å; A141-W151 PolarHBondContact N-O 3.1Å; A141-W151 PolarHBondContact O-N 3.05Å; T143-W151 HydrophobicContact CG2-CH2 3.76Å; T143-W151 HydrophobicContact CG2-CZ3 3.84Å; E146-W151 WeakPolarHBondContact OE2-CH2 3.47Å; L149-W151 HydrophobicContact CB-CH2 4.09Å; L149-W151 HydrophobicContact CB-CZ2 4.22Å; W151-R160 CarbonylContact C-O 3.49Å; W151-R160 WeakPolarHBondContact CA-O 3.31Å; W151-Q161 VanDerWaalsContact NE1-CG 3.34Å; W151-I195 HydrophobicContact CB-CD1 3.72Å; W151-I195 HydrophobicContact CG-CD1 4.45Å; W151-V197 HydrophobicContact CD2-CG2 4.18Å; W151-V197 HydrophobicContact CE3-CG2 3.53Å; W151-V197 HydrophobicContact CH2-CG2 4.48Å; W151-V197 HydrophobicContact CZ3-CG2 3.71Å |
| 152 | S | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 156.1 | -178.1 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | H133 R139 C159 R160 F162 | H133-S152 PolarHBondContact NE2-OG 3.12Å; H133-S152 VanDerWaalsContact NE2-OG 3.08Å; R139-S152 CarbonylContact O-C 3.59Å; R139-S152 WeakPolarHBondContact O-CA 3.5Å; S152-C159 WeakPolarHBondContact O-CA 3.2Å; S152-C159 VanDerWaalsContact O-CB 3.3Å; S152-C159 WeakPolarHBondContact O-CB 3.42Å; S152-R160 PolarHBondContact N-O 3.25Å; S152-R160 PolarHBondContact O-N 2.99Å; S152-R160 WeakPolarHBondContact OG-CB 3.28Å; S152-R160 PolarHBondContact OG-N 3.44Å; S152-R160 PolarHBondContact OG-O 3.41Å; S152-F162 WeakPolarHBondContact OG-CE2 3.5Å |
| 153 | A | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | K138 R139 A192 I195 | K138-A153 PolarHBondContact N-O 3.46Å; R139-A153 HydrophobicContact CB-CB 4.41Å; R139-A153 PolarHBondContact N-O 3.27Å; R139-A153 PolarHBondContact O-N 2.78Å; A153-A192 CarbonylContact C-O 3.56Å; A153-A192 HydrophobicContact CB-CB 3.89Å; A153-I195 HydrophobicContact CB-CB 4.04Å; A153-I195 HydrophobicContact CB-CG2 3.83Å |
| 154 | S | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 154.1 | -178.3 | 172.5 | 0 | 0 | 0 | 0 | 112.7 | H133 G135 R136 D156 G157 T158 A192 | H133-S154 WeakPolarHBondContact CE1-CB 3.36Å; H133-S154 WeakPolarHBondContact ND1-CB 3.35Å; H133-S154 PolarHBondContact ND1-OG 3.25Å; G135-S154 VanDerWaalsContact C-OG 3.26Å; G135-S154 PolarHBondContact O-OG 3.13Å; R136-S154 WeakPolarHBondContact O-CA 3.36Å; R136-S154 PolarHBondContact O-OG 2.92Å; S154-D156 WeakPolarHBondContact CB-OD1 3.33Å; S154-D156 PolarHBondContact O-N 3.33Å; S154-D156 VanDerWaalsContact O-N 3.16Å; S154-D156 PolarHBondContact OG-N 2.95Å; S154-D156 VanDerWaalsContact OG-N 3.11Å; S154-D156 PolarHBondContact OG-OD1 3.33Å; S154-G157 PolarHBondContact O-N 2.9Å; S154-T158 PolarHBondContact N-O 3.39Å; S154-A192 CarbonylContact C-O 3.54Å; S154-A192 PolarHBondContact N-O 3.43Å; S154-A192 WeakPolarHBondContact O-CB 3.48Å; S154-A192 PolarHBondContact O-N 2.92Å |
| 155 | E | 94 | Very high | 93.2 | Very high | 17 Ų | 17 | 23.9 Ų | 23.9 | 8% | 0.079 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -3.4 | 169.1 | -64.9 | -178 | 158 | 0 | 0 | 114.1 | R136 K138 G157 R183 E191 K193 | R136-E155 HydrophobicContact CB-CG 4.46Å; R136-E155 WeakPolarHBondContact CB-OE2 3.43Å; R136-E155 WeakPolarHBondContact CG-OE2 3.27Å; R136-E155 IonicContact CZ-OE1 2.87Å; R136-E155 IonicContact CZ-OE2 3.91Å; R136-E155 IonicContact NE-OE1 2.68Å; R136-E155 PolarHBondContact NE-OE1 3.37Å; R136-E155 IonicContact NE-OE2 3.65Å; R136-E155 PolarHBondContact NE-OE2 3.32Å; R136-E155 IonicContact NH2-OE1 3.5Å; R136-E155 PolarHBondContact NH2-OE1 2.84Å; R136-E155 IonicContact NH2-OE2 2.79Å; R136-E155 PolarHBondContact NH2-OE2 2.82Å; R136-E155 PolarHBondContact O-N 3.14Å; R136-E155 VanDerWaalsContact O-N 3.07Å; K138-E155 VanDerWaalsContact CE-CD 3.48Å; K138-E155 WeakPolarHBondContact CE-OE1 3.23Å; K138-E155 HydrophobicContact CG-CG 4.12Å; K138-E155 IonicContact NZ-OE1 2.77Å; K138-E155 PolarHBondContact NZ-OE1 2.8Å; E155-G157 PolarHBondContact O-N 3.28Å; E155-R183 PolarHBondContact O-NH2 3.26Å; E155-E191 HydrophobicContact CB-CB 4.46Å; E155-E191 HydrophobicContact CB-CG 4.19Å; E155-E191 HydrophobicContact CG-CB 4.39Å; E155-E191 HydrophobicContact CG-CG 4.37Å; E155-K193 IonicContact OE1-NZ 3.49Å; E155-K193 PolarHBondContact OE1-NZ 3.38Å |
| 156 | D | 91.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | 4.2 | 161.6 | 75.6 | 1.2 | 0 | 0 | 0 | 113.5 | H133 S134 S154 T158 R160 R183 | H133-D156 WeakPolarHBondContact CA-OD2 3.39Å; H133-D156 IonicContact CE1-OD1 3.09Å; H133-D156 IonicContact CE1-OD2 2.85Å; H133-D156 IonicContact CG-OD2 3.25Å; H133-D156 VanDerWaalsContact ND1-CG 3.31Å; H133-D156 IonicContact ND1-OD1 3.16Å; H133-D156 PolarHBondContact ND1-OD1 2.89Å; H133-D156 IonicContact ND1-OD2 2.79Å; H133-D156 PolarHBondContact ND1-OD2 3.4Å; S134-D156 PolarHBondContact N-OD2 3.44Å; S134-D156 WeakPolarHBondContact OG-CB 3.21Å; S154-D156 WeakPolarHBondContact CB-OD1 3.33Å; S154-D156 PolarHBondContact O-N 3.33Å; S154-D156 VanDerWaalsContact O-N 3.16Å; S154-D156 PolarHBondContact OG-N 2.95Å; S154-D156 VanDerWaalsContact OG-N 3.11Å; S154-D156 PolarHBondContact OG-OD1 3.33Å; D156-T158 VanDerWaalsContact CG-OG1 3.23Å; D156-T158 PolarHBondContact O-N 3.46Å; D156-T158 WeakPolarHBondContact OD1-CA 3.45Å; D156-T158 VanDerWaalsContact OD1-CB 3.31Å; D156-T158 WeakPolarHBondContact OD1-CB 3.47Å; D156-T158 PolarHBondContact OD1-N 2.98Å; D156-T158 PolarHBondContact OD1-OG1 3.42Å; D156-T158 PolarHBondContact OD2-OG1 3.39Å; D156-R160 IonicContact OD2-CZ 2.81Å; D156-R160 IonicContact OD2-NE 2.65Å; D156-R160 IonicContact OD2-NH2 3.68Å; D156-R160 PolarHBondContact OD2-NH2 2.98Å; D156-R183 PolarHBondContact O-NE 3.28Å; D156-R183 PolarHBondContact O-NH1 2.9Å |
| 157 | G | 91.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 76.7 | 2.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S154 E155 L182 A190 | S154-G157 PolarHBondContact O-N 2.9Å; E155-G157 PolarHBondContact O-N 3.28Å; G157-L182 WeakPolarHBondContact O-CB 3.24Å; G157-L182 PolarHBondContact O-N 3.26Å; G157-A190 WeakPolarHBondContact CA-O 3.38Å |
| 158 | T | 93.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 146.5 | 179.9 | 73.4 | 0 | 0 | 0 | 0 | 112.5 | H133 S154 D156 R160 V178 V180 N181 Y227 | H133-T158 PolarHBondContact CE1-OG1 3.45Å; H133-T158 PolarHBondContact ND1-OG1 2.85Å; S154-T158 PolarHBondContact N-O 3.39Å; D156-T158 VanDerWaalsContact CG-OG1 3.23Å; D156-T158 PolarHBondContact O-N 3.46Å; D156-T158 WeakPolarHBondContact OD1-CA 3.45Å; D156-T158 VanDerWaalsContact OD1-CB 3.31Å; D156-T158 WeakPolarHBondContact OD1-CB 3.47Å; D156-T158 PolarHBondContact OD1-N 2.98Å; D156-T158 PolarHBondContact OD1-OG1 3.42Å; D156-T158 PolarHBondContact OD2-OG1 3.39Å; T158-R160 PolarHBondContact OG1-NE 2.91Å; T158-V178 HydrophobicContact CG2-CG1 4.13Å; T158-V178 HydrophobicContact CG2-CG2 4.42Å; T158-V180 CarbonylContact C-O 3.58Å; T158-V180 VanDerWaalsContact CA-O 3.31Å; T158-V180 WeakPolarHBondContact CA-O 3.24Å; T158-N181 HydrophobicContact CG2-CB 4.39Å; T158-Y227 HydrophobicContact CG2-CD2 3.61Å; T158-Y227 HydrophobicContact CG2-CE2 3.65Å |
| 159 | C | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.7 | 157.3 | -66.1 | 0 | 0 | 0 | 0 | 108.8 | S152 L179 V180 I195 V207 | S152-C159 WeakPolarHBondContact O-CA 3.2Å; S152-C159 VanDerWaalsContact O-CB 3.3Å; S152-C159 WeakPolarHBondContact O-CB 3.42Å; C159-L179 WeakPolarHBondContact O-CB 3.3Å; C159-L179 PolarHBondContact O-N 3.47Å; C159-V180 HydrophobicContact CB-CB 4.27Å; C159-V180 PolarHBondContact N-O 3.23Å; C159-V180 PolarHBondContact O-N 3.26Å; C159-V180 VanDerWaalsContact O-N 3.08Å; C159-I195 HydrophobicContact CB-CD1 4.02Å; C159-V207 VanDerWaalsContact SG-CG1 3.52Å |
| 160 | R | 95.2 | Very high | 89.9 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 144.6 | -175 | -54.8 | -176.3 | -175.5 | -153.2 | 20.1 | 111.5 | C132 H133 W151 S152 D156 T158 F162 N177 V178 | C132-R160 PolarHBondContact O-NH1 2.99Å; C132-R160 PolarHBondContact O-NH2 3.38Å; H133-R160 WeakPolarHBondContact CE1-CD 3.41Å; H133-R160 PolarHBondContact CE1-NE 3.2Å; H133-R160 PolarHBondContact ND1-NE 2.96Å; W151-R160 CarbonylContact C-O 3.49Å; W151-R160 WeakPolarHBondContact CA-O 3.31Å; S152-R160 PolarHBondContact N-O 3.25Å; S152-R160 PolarHBondContact O-N 2.99Å; S152-R160 WeakPolarHBondContact OG-CB 3.28Å; S152-R160 PolarHBondContact OG-N 3.44Å; S152-R160 PolarHBondContact OG-O 3.41Å; D156-R160 IonicContact OD2-CZ 2.81Å; D156-R160 IonicContact OD2-NE 2.65Å; D156-R160 IonicContact OD2-NH2 3.68Å; D156-R160 PolarHBondContact OD2-NH2 2.98Å; T158-R160 PolarHBondContact OG1-NE 2.91Å; R160-F162 HydrophobicContact CB-CE2 3.98Å; R160-F162 HydrophobicContact CB-CZ 4.09Å; R160-N177 CarbonylContact C-O 3.53Å; R160-N177 WeakPolarHBondContact CA-O 3.41Å; R160-N177 WeakPolarHBondContact CB-O 3.44Å; R160-N177 WeakPolarHBondContact CD-OD1 3.41Å; R160-N177 PolarHBondContact NH1-OD1 3.39Å; R160-V178 HydrophobicContact CG-CG2 4.29Å |
| 161 | Q | 95.4 | Very high | 88.4 | Confident | 30 Ų | 30 | 30 Ų | 30 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.9 | 174.9 | 179.4 | 174.8 | -66 | 0 | 0 | 109.4 | L149 W151 N177 L179 L224 | L149-Q161 HydrophobicContact CD2-CG 4.38Å; W151-Q161 VanDerWaalsContact NE1-CG 3.34Å; Q161-N177 PolarHBondContact N-O 3.12Å; Q161-N177 WeakPolarHBondContact O-CB 3.48Å; Q161-L179 HydrophobicContact CB-CB 4.43Å; Q161-L224 HydrophobicContact CB-CD2 4.14Å |
| 162 | F | 94.4 | Very high | 86.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142.1 | 177.9 | -63.1 | -84.9 | 0 | 0 | 0 | 111.1 | I116 F130 L149 F150 S152 R160 N177 | I116-F162 HydrophobicContact CD1-CD2 4.42Å; I116-F162 HydrophobicContact CD1-CE2 3.48Å; I116-F162 VanDerWaalsContact CD1-CE2 3.48Å; I116-F162 HydrophobicContact CD1-CZ 3.71Å; F130-F162 HydrophobicContact CB-CD1 4.44Å; F130-F162 HydrophobicContact CB-CE1 3.8Å; F130-F162 HydrophobicContact CB-CZ 4.34Å; F130-F162 AromaticContact CD1-CD1 3.52Å; F130-F162 HydrophobicContact CD1-CD1 3.52Å; F130-F162 AromaticContact CD1-CE1 3.61Å; F130-F162 HydrophobicContact CD1-CE1 3.61Å; F130-F162 HydrophobicContact CD2-CD1 4.27Å; F130-F162 HydrophobicContact CD2-CE1 4.41Å; F130-F162 AromaticContact CE1-CD1 3.7Å; F130-F162 HydrophobicContact CE1-CD1 3.7Å; F130-F162 HydrophobicContact CE1-CE1 4.27Å; F130-F162 HydrophobicContact CE2-CD1 4.43Å; F130-F162 AromaticContact CG-CD1 3.83Å; F130-F162 HydrophobicContact CG-CD1 3.83Å; F130-F162 AromaticContact CG-CE1 3.68Å; F130-F162 HydrophobicContact CG-CE1 3.68Å; F130-F162 HydrophobicContact CZ-CD1 4.16Å; L149-F162 WeakPolarHBondContact CA-O 3.48Å; L149-F162 VanDerWaalsContact CD2-O 3.28Å; L149-F162 WeakPolarHBondContact CD2-O 3.42Å; F150-F162 HydrophobicContact CD1-CB 3.94Å; F150-F162 HydrophobicContact CD2-CB 4.14Å; F150-F162 AromaticContact CD2-CD2 3.81Å; F150-F162 HydrophobicContact CD2-CD2 3.81Å; F150-F162 HydrophobicContact CD2-CG 4.33Å; F150-F162 HydrophobicContact CE1-CB 3.46Å; F150-F162 VanDerWaalsContact CE1-CB 3.46Å; F150-F162 HydrophobicContact CE1-CG 4.2Å; F150-F162 HydrophobicContact CE2-CB 3.68Å; F150-F162 AromaticContact CE2-CD2 3.24Å; F150-F162 HydrophobicContact CE2-CD2 3.24Å; F150-F162 HydrophobicContact CE2-CE2 4Å; F150-F162 AromaticContact CE2-CG 3.6Å; F150-F162 HydrophobicContact CE2-CG 3.6Å; F150-F162 HydrophobicContact CG-CB 4.26Å; F150-F162 HydrophobicContact CZ-CB 3.32Å; F150-F162 HydrophobicContact CZ-CD1 4.32Å; F150-F162 AromaticContact CZ-CD2 3.72Å; F150-F162 HydrophobicContact CZ-CD2 3.72Å; F150-F162 AromaticContact CZ-CG 3.53Å; F150-F162 HydrophobicContact CZ-CG 3.53Å; F150-F162 PolarHBondContact N-O 2.99Å; F150-F162 PolarHBondContact O-N 3.25Å; S152-F162 WeakPolarHBondContact OG-CE2 3.5Å; R160-F162 HydrophobicContact CB-CE2 3.98Å; R160-F162 HydrophobicContact CB-CZ 4.09Å; F162-N177 WeakPolarHBondContact CE1-ND2 3.31Å |
| 163 | D | 91.8 | Very high | 85.2 | Confident | 27 Ų | 27 | 43.1 Ų | 43.1 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 116.4 | 171.1 | -165.9 | -30.4 | 0 | 0 | 0 | 110.6 | F148 L149 R165 D166 | F148-D163 WeakPolarHBondContact O-CA 3.3Å; L149-D163 HydrophobicContact CD2-CB 3.53Å; D163-R165 PolarHBondContact O-N 3.21Å; D163-R165 VanDerWaalsContact O-N 3.11Å; D163-R165 VanDerWaalsContact OD1-CB 3.29Å; D163-R165 WeakPolarHBondContact OD1-CB 3.42Å; D163-R165 WeakPolarHBondContact OD1-CG 3.41Å; D163-R165 IonicContact OD1-CZ 3.64Å; D163-R165 PolarHBondContact OD1-N 3.13Å; D163-R165 IonicContact OD1-NE 2.86Å; D163-R165 PolarHBondContact OD1-NE 3.38Å; D163-R165 IonicContact OD1-NH2 3.57Å; D163-R165 IonicContact OD2-CZ 3.43Å; D163-R165 IonicContact OD2-NE 3.37Å; D163-R165 PolarHBondContact OD2-NE 2.96Å; D163-R165 IonicContact OD2-NH2 2.68Å; D163-R165 PolarHBondContact OD2-NH2 3.29Å; D163-D166 HydrophobicContact CB-CB 4.08Å; D163-D166 PolarHBondContact O-N 2.88Å |
| 164 | L | 90.6 | Very high | 83.8 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 8% | 0.084 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -10.3 | 180 | -67.1 | -177.1 | 0 | 0 | 0 | 114.6 | L99 L102 L106 V118 F130 F148 F150 | L99-L164 HydrophobicContact CD1-CD1 3.44Å; L99-L164 VanDerWaalsContact CD1-CD1 3.44Å; L102-L164 HydrophobicContact CD1-CD1 4.02Å; L106-L164 HydrophobicContact CD1-CD1 4.29Å; V118-L164 HydrophobicContact CG1-CD2 4.4Å; V118-L164 HydrophobicContact CG2-CD2 3.99Å; F130-L164 HydrophobicContact CZ-CD2 4.42Å; F148-L164 HydrophobicContact CB-CB 4.49Å; F148-L164 PolarHBondContact O-N 2.89Å; F150-L164 HydrophobicContact CE1-CD2 3.83Å; F150-L164 HydrophobicContact CE1-CG 4.25Å |
| 165 | R | 88.9 | Confident | 83.1 | Confident | 150 Ų | 150 | 48.8 Ų | 48.8 | 57% | 0.566 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -12.7 | 175.7 | -56.3 | 166.5 | -66.2 | -176.1 | 5.1 | 112.5 | F148 D163 P167 | F148-R165 HydrophobicContact CB-CG 3.96Å; F148-R165 HydrophobicContact CD1-CG 3.64Å; F148-R165 HydrophobicContact CD2-CG 4.27Å; F148-R165 HydrophobicContact CE1-CG 4.18Å; F148-R165 HydrophobicContact CG-CG 3.68Å; D163-R165 PolarHBondContact O-N 3.21Å; D163-R165 VanDerWaalsContact O-N 3.11Å; D163-R165 VanDerWaalsContact OD1-CB 3.29Å; D163-R165 WeakPolarHBondContact OD1-CB 3.42Å; D163-R165 WeakPolarHBondContact OD1-CG 3.41Å; D163-R165 IonicContact OD1-CZ 3.64Å; D163-R165 PolarHBondContact OD1-N 3.13Å; D163-R165 IonicContact OD1-NE 2.86Å; D163-R165 PolarHBondContact OD1-NE 3.38Å; D163-R165 IonicContact OD1-NH2 3.57Å; D163-R165 IonicContact OD2-CZ 3.43Å; D163-R165 IonicContact OD2-NE 3.37Å; D163-R165 PolarHBondContact OD2-NE 2.96Å; D163-R165 IonicContact OD2-NH2 2.68Å; D163-R165 PolarHBondContact OD2-NH2 3.29Å; R165-P167 WeakPolarHBondContact O-CD 3.23Å |
| 166 | D | 86.3 | Confident | 82.6 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 31% | 0.31 | 28% | 0.277 | S | S | . | . | trans | -98.9 | 101.6 | -178.1 | -176 | -3.5 | 0 | 0 | 0 | 109.8 | D163 D168 Q169 | D163-D166 HydrophobicContact CB-CB 4.08Å; D163-D166 PolarHBondContact O-N 2.88Å; D166-D168 PolarHBondContact O-N 3.39Å; D166-D168 WeakPolarHBondContact OD1-CB 3.23Å; D166-D168 PolarHBondContact OD1-N 3.19Å; D166-D168 VanDerWaalsContact OD1-N 3.15Å; D166-Q169 HydrophobicContact CB-CG 4.15Å; D166-Q169 WeakPolarHBondContact OD2-CG 3.28Å; D166-Q169 PolarHBondContact OD2-NE2 3.26Å | ||
| 167 | P | 76 | Confident | 82.6 | Confident | 88 Ų | 88 | 51.2 Ų | 51.2 | 57% | 0.571 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -66.4 | -27.9 | -177.6 | 29.1 | -35.1 | 0 | 0 | 0 | 112.2 | R165 Q169 T170 | R165-P167 WeakPolarHBondContact O-CD 3.23Å; P167-Q169 PolarHBondContact O-N 2.95Å; P167-T170 PolarHBondContact O-N 3.39Å; P167-T170 VanDerWaalsContact O-N 3.13Å; P167-T170 PolarHBondContact O-OG1 2.84Å |
| 168 | D | 75.1 | Confident | 82.6 | Confident | 116 Ų | 116 | 51.3 Ų | 51.3 | 62% | 0.62 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -67.2 | -24.8 | -171.6 | -65 | -17.8 | 0 | 0 | 0 | 111.5 | D166 T170 S171 | D166-D168 PolarHBondContact O-N 3.39Å; D166-D168 WeakPolarHBondContact OD1-CB 3.23Å; D166-D168 PolarHBondContact OD1-N 3.19Å; D166-D168 VanDerWaalsContact OD1-N 3.15Å; D168-T170 PolarHBondContact O-N 3.5Å; D168-S171 VanDerWaalsContact O-CB 3.27Å; D168-S171 WeakPolarHBondContact O-CB 3.43Å; D168-S171 PolarHBondContact O-N 2.72Å; D168-S171 PolarHBondContact O-OG 3.1Å |
| 169 | Q | 77.3 | Confident | 82.6 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -68.3 | -20.7 | 177.4 | -64.5 | -179 | 24.7 | 0 | 0 | 114.2 | F130 D166 P167 S171 | F130-Q169 WeakPolarHBondContact CD1-O 3.31Å; F130-Q169 HydrophobicContact CE1-CB 4.03Å; D166-Q169 HydrophobicContact CB-CG 4.15Å; D166-Q169 WeakPolarHBondContact OD2-CG 3.28Å; D166-Q169 PolarHBondContact OD2-NE2 3.26Å; P167-Q169 PolarHBondContact O-N 2.95Å; Q169-S171 VanDerWaalsContact C-N 3.32Å |
| 170 | T | 66.8 | Low | 82.3 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 36% | 0.356 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -81.9 | -13.1 | 172.8 | 64.6 | 0 | 0 | 0 | 0 | 112.9 | H128 F130 P167 D168 | H128-T170 HydrophobicContact CB-CG2 4.25Å; F130-T170 HydrophobicContact CD1-CG2 4.15Å; F130-T170 HydrophobicContact CE1-CG2 3.59Å; F130-T170 HydrophobicContact CZ-CG2 3.97Å; P167-T170 PolarHBondContact O-N 3.39Å; P167-T170 VanDerWaalsContact O-N 3.13Å; P167-T170 PolarHBondContact O-OG1 2.84Å; D168-T170 PolarHBondContact O-N 3.5Å |
| 171 | S | 63.3 | Low | 82.1 | Confident | 49 Ų | 49 | 53.5 Ų | 53.5 | 34% | 0.343 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -71.3 | 151 | 178.3 | 81.1 | 0 | 0 | 0 | 0 | 111.7 | D168 Q169 N173 | D168-S171 VanDerWaalsContact O-CB 3.27Å; D168-S171 WeakPolarHBondContact O-CB 3.43Å; D168-S171 PolarHBondContact O-N 2.72Å; D168-S171 PolarHBondContact O-OG 3.1Å; Q169-S171 VanDerWaalsContact C-N 3.32Å; S171-N173 PolarHBondContact O-N 3.27Å |
| 172 | V | 61.6 | Low | 81.7 | Confident | 141 Ų | 141 | 52.6 Ų | 52.6 | 86% | 0.855 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -68.3 | -13.8 | 178.4 | -175.3 | 0 | 0 | 0 | 0 | 111.9 | K174 | V172-K174 PolarHBondContact O-N 3.41Š|
| 173 | N | 66.2 | Low | 81.2 | Confident | 136 Ų | 136 | 54.3 Ų | 54.3 | 73% | 0.727 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -81.6 | 84.3 | -173.5 | -67.8 | -19 | 0 | 0 | 0 | 111.8 | S171 P175 | S171-N173 PolarHBondContact O-N 3.27Å; N173-P175 VanDerWaalsContact O-N 3.12Å |
| 174 | K | 68.7 | Low | 80.2 | Confident | 108 Ų | 108 | 54.9 Ų | 54.9 | 47% | 0.47 | 29% | 0.293 | S | S | . | . | trans | 28.7 | 69.6 | 166.2 | -71.1 | -174.7 | 174.5 | 178.8 | 0 | 113.9 | V172 T226 D228 | V172-K174 PolarHBondContact O-N 3.41Å; K174-T226 VanDerWaalsContact O-CG2 3.31Å; K174-T226 WeakPolarHBondContact O-CG2 3.38Å; K174-D228 IonicContact NZ-OD1 2.7Å; K174-D228 PolarHBondContact NZ-OD1 2.79Å | ||
| 175 | P | 80.7 | Confident | 78.6 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 7% | 0.065 | 30% | 0.304 | C | S | . | . | trans | -60.8 | 143.2 | -174.2 | 24.1 | -34.5 | 0 | 0 | 0 | 111.9 | C132 N173 N177 | C132-P175 HydrophobicContact CB-CG 3.6Å; N173-P175 VanDerWaalsContact O-N 3.12Å; P175-N177 HydrophobicContact CB-CB 4.31Å; P175-N177 PolarHBondContact O-N 2.99Å; P175-N177 PolarHBondContact O-OD1 2.74Å | ||
| 176 | C | 84.2 | Confident | 77.1 | Confident | 69 Ų | 69 | 54 Ų | 54 | 47% | 0.466 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 65.4 | 176.2 | -165.2 | 0 | 0 | 0 | 0 | 110.1 | L224 S225 T226 | C176-L224 WeakPolarHBondContact O-CB 3.31Å; C176-L224 PolarHBondContact SG-O 3.14Å; C176-L224 VanDerWaalsContact SG-O 3.4Å; C176-S225 CarbonylContact C-O 3.56Å; C176-T226 HydrophobicContact CB-CG2 3.8Å |
| 177 | N | 90.9 | Very high | 76.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | -1.7 | -169.7 | 72.6 | -11.1 | 0 | 0 | 0 | 114.3 | C132 R160 Q161 F162 P175 L179 S225 | C132-N177 PolarHBondContact SG-ND2 3.12Å; R160-N177 CarbonylContact C-O 3.53Å; R160-N177 WeakPolarHBondContact CA-O 3.41Å; R160-N177 WeakPolarHBondContact CB-O 3.44Å; R160-N177 WeakPolarHBondContact CD-OD1 3.41Å; R160-N177 PolarHBondContact NH1-OD1 3.39Å; Q161-N177 PolarHBondContact N-O 3.12Å; Q161-N177 WeakPolarHBondContact O-CB 3.48Å; F162-N177 WeakPolarHBondContact CE1-ND2 3.31Å; P175-N177 HydrophobicContact CB-CB 4.31Å; P175-N177 PolarHBondContact O-N 2.99Å; P175-N177 PolarHBondContact O-OD1 2.74Å; N177-L179 PolarHBondContact O-N 2.93Å; N177-S225 PolarHBondContact N-O 2.9Å |
| 178 | V | 92.1 | Very high | 76.2 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 112 | 176.2 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | T158 R160 N181 L224 S225 | T158-V178 HydrophobicContact CG2-CG1 4.13Å; T158-V178 HydrophobicContact CG2-CG2 4.42Å; R160-V178 HydrophobicContact CG-CG2 4.29Å; V178-N181 HydrophobicContact CG1-CB 4.16Å; V178-L224 WeakPolarHBondContact O-CA 3.44Å; V178-S225 VanDerWaalsContact CB-O 3.3Å; V178-S225 WeakPolarHBondContact CB-O 3.3Å; V178-S225 PolarHBondContact N-O 3.2Å; V178-S225 PolarHBondContact O-N 3.31Å; V178-S225 PolarHBondContact O-OG 3.36Å |
| 179 | L | 92.8 | Very high | 76.4 | Confident | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -43.8 | 177.7 | 179.1 | 64.5 | 0 | 0 | 0 | 111.3 | C159 Q161 N177 R219 L222 L224 | C159-L179 WeakPolarHBondContact O-CB 3.3Å; C159-L179 PolarHBondContact O-N 3.47Å; Q161-L179 HydrophobicContact CB-CB 4.43Å; N177-L179 PolarHBondContact O-N 2.93Å; L179-R219 HydrophobicContact CD1-CB 4.04Å; L179-R219 HydrophobicContact CD2-CB 4.4Å; L179-L222 HydrophobicContact CD1-CB 4.02Å; L179-L222 HydrophobicContact CD1-CD1 3.84Å; L179-L222 HydrophobicContact CG-CD1 4.02Å; L179-L224 HydrophobicContact CB-CD2 3.95Å; L179-L224 HydrophobicContact CD1-CD2 3.82Å |
| 180 | V | 91 | Very high | 76.9 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 5% | 0.048 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 138.8 | 175 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | T158 C159 L182 F217 L222 | T158-V180 CarbonylContact C-O 3.58Å; T158-V180 VanDerWaalsContact CA-O 3.31Å; T158-V180 WeakPolarHBondContact CA-O 3.24Å; C159-V180 HydrophobicContact CB-CB 4.27Å; C159-V180 PolarHBondContact N-O 3.23Å; C159-V180 PolarHBondContact O-N 3.26Å; C159-V180 VanDerWaalsContact O-N 3.08Å; V180-L182 HydrophobicContact CG1-CD2 3.77Å; V180-L182 HydrophobicContact CG1-CG 4.36Å; V180-F217 HydrophobicContact CB-CE2 4.49Å; V180-F217 HydrophobicContact CB-CZ 4.49Å; V180-F217 HydrophobicContact CG1-CE1 4.13Å; V180-F217 HydrophobicContact CG1-CE2 3.86Å; V180-F217 HydrophobicContact CG1-CZ 3.56Å; V180-F217 HydrophobicContact CG2-CD1 4.13Å; V180-F217 HydrophobicContact CG2-CD2 3.87Å; V180-F217 HydrophobicContact CG2-CE1 4.15Å; V180-F217 HydrophobicContact CG2-CE2 3.89Å; V180-F217 HydrophobicContact CG2-CG 3.99Å; V180-F217 HydrophobicContact CG2-CZ 4.03Å; V180-L222 HydrophobicContact CG2-CD1 3.76Å |
| 181 | N | 90.2 | Very high | 78.1 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 16% | 0.16 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 119.1 | 164.7 | -178.1 | 2 | 0 | 0 | 0 | 107.5 | T158 V178 R183 P253 | T158-N181 HydrophobicContact CG2-CB 4.39Å; V178-N181 HydrophobicContact CG1-CB 4.16Å; N181-R183 VanDerWaalsContact C-N 3.33Å; N181-R183 WeakPolarHBondContact OD1-CB 3.16Å; N181-R183 PolarHBondContact OD1-N 3.12Å; N181-P253 HydrophobicContact CB-CG 3.73Å |
| 182 | L | 87.9 | Confident | 79.5 | Confident | 11 Ų | 11 | 46.9 Ų | 46.9 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | trans | -81.9 | -15.2 | -179.9 | -60.1 | 179.1 | 0 | 0 | 0 | 112.4 | G157 V180 F184 A190 A192 V207 | G157-L182 WeakPolarHBondContact O-CB 3.24Å; G157-L182 PolarHBondContact O-N 3.26Å; V180-L182 HydrophobicContact CG1-CD2 3.77Å; V180-L182 HydrophobicContact CG1-CG 4.36Å; L182-F184 WeakPolarHBondContact O-CD1 3.21Å; L182-F184 PolarHBondContact O-N 3.29Å; L182-A190 HydrophobicContact CB-CB 3.77Å; L182-A190 WeakPolarHBondContact O-CB 3.47Å; L182-A192 HydrophobicContact CD1-CB 3.86Å; L182-V207 HydrophobicContact CD1-CG1 4.04Å | ||
| 183 | R | 83.4 | Confident | 81.1 | Confident | 36 Ų | 36 | 40.8 Ų | 40.8 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | trans | -77.6 | 119.6 | 179 | -65.1 | 176.3 | 173.2 | 172.1 | -7.2 | 109.6 | E155 D156 N181 N187 V188 A190 | E155-R183 PolarHBondContact O-NH2 3.26Å; D156-R183 PolarHBondContact O-NE 3.28Å; D156-R183 PolarHBondContact O-NH1 2.9Å; N181-R183 VanDerWaalsContact C-N 3.33Å; N181-R183 WeakPolarHBondContact OD1-CB 3.16Å; N181-R183 PolarHBondContact OD1-N 3.12Å; R183-N187 WeakPolarHBondContact CA-O 3.46Å; R183-V188 WeakPolarHBondContact CD-O 3.27Å; R183-V188 PolarHBondContact NE-O 3.25Å; R183-A190 HydrophobicContact CG-CB 3.83Å; R183-A190 PolarHBondContact NE-O 2.98Å; R183-A190 PolarHBondContact NH2-O 3.1Å | ||
| 184 | F | 70.9 | Confident | 82.6 | Confident | 39 Ų | 39 | 34.3 Ų | 34.3 | 17% | 0.171 | 17% | 0.17 | C | C | . | . | trans | -121 | 176.2 | 167.7 | 57 | -95.2 | 0 | 0 | 0 | 110.7 | L182 D186 N187 V188 L252 I668 E672 | L182-F184 WeakPolarHBondContact O-CD1 3.21Å; L182-F184 PolarHBondContact O-N 3.29Å; F184-D186 VanDerWaalsContact C-N 3.27Å; F184-D186 HydrophobicContact CE2-CB 4.42Å; F184-D186 PolarHBondContact O-N 3.29Å; F184-D186 VanDerWaalsContact O-N 3.09Å; F184-N187 HydrophobicContact CD1-CB 3.86Å; F184-N187 HydrophobicContact CD2-CB 3.82Å; F184-N187 HydrophobicContact CE1-CB 3.54Å; F184-N187 HydrophobicContact CE2-CB 3.48Å; F184-N187 VanDerWaalsContact CE2-CB 3.48Å; F184-N187 HydrophobicContact CG-CB 4Å; F184-N187 HydrophobicContact CZ-CB 3.34Å; F184-N187 CarbonylContact O-C 3.51Å; F184-N187 VanDerWaalsContact O-C 3.28Å; F184-N187 PolarHBondContact O-N 3.42Å; F184-V188 PolarHBondContact O-N 2.9Å; F184-L252 HydrophobicContact CB-CD2 4.42Å; F184-I668 HydrophobicContact CE2-CB 4.2Å; F184-I668 HydrophobicContact CE2-CG2 3.77Å; F184-I668 HydrophobicContact CZ-CB 4.43Å; F184-I668 HydrophobicContact CZ-CG2 3.82Å; F184-E672 HydrophobicContact CE1-CG 4.08Å; F184-E672 HydrophobicContact CZ-CG 4.05Å | ||
| 185 | Q | 56.3 | Low | 84 | Confident | 69 Ų | 69 | 29.4 Ų | 29.4 | 32% | 0.322 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | -45.3 | -167.9 | -140.3 | 163.5 | 25.4 | 0 | 0 | 113.8 | V188 I247 L252 | Q185-V188 WeakPolarHBondContact O-CG2 3.11Å; Q185-I247 HydrophobicContact CG-CB 4.49Å; Q185-I247 PolarHBondContact NE2-O 3.13Å; Q185-L252 HydrophobicContact CB-CD1 3.77Å; Q185-L252 HydrophobicContact CG-CD1 3.64Å |
| 186 | D | 57.7 | Low | 84.8 | Confident | 79 Ų | 79 | 29.5 Ų | 29.5 | 42% | 0.422 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | -5.3 | 179.6 | -58.6 | -56.9 | 0 | 0 | 0 | 114.3 | F184 W667 | F184-D186 VanDerWaalsContact C-N 3.27Å; F184-D186 HydrophobicContact CE2-CB 4.42Å; F184-D186 PolarHBondContact O-N 3.29Å; F184-D186 VanDerWaalsContact O-N 3.09Å; D186-W667 VanDerWaalsContact CB-O 3.24Å; D186-W667 WeakPolarHBondContact CB-O 3.45Å |
| 187 | N | 70.9 | Confident | 85.4 | Confident | 24 Ų | 24 | 27.1 Ų | 27.1 | 13% | 0.128 | 13% | 0.133 | C | C | . | . | trans | -120.7 | 51.5 | -180 | -167.2 | 15.7 | 0 | 0 | 0 | 111.3 | R183 F184 F189 A190 | R183-N187 WeakPolarHBondContact CA-O 3.46Å; F184-N187 HydrophobicContact CD1-CB 3.86Å; F184-N187 HydrophobicContact CD2-CB 3.82Å; F184-N187 HydrophobicContact CE1-CB 3.54Å; F184-N187 HydrophobicContact CE2-CB 3.48Å; F184-N187 VanDerWaalsContact CE2-CB 3.48Å; F184-N187 HydrophobicContact CG-CB 4Å; F184-N187 HydrophobicContact CZ-CB 3.34Å; F184-N187 CarbonylContact O-C 3.51Å; F184-N187 VanDerWaalsContact O-C 3.28Å; F184-N187 PolarHBondContact O-N 3.42Å; N187-F189 PolarHBondContact O-N 3.04Å; N187-A190 PolarHBondContact O-N 2.86Å | ||
| 188 | V | 72.6 | Confident | 85.6 | Confident | 24 Ų | 24 | 27.1 Ų | 27.1 | 15% | 0.145 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -27.1 | 179.5 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | R183 F184 Q185 I236 I247 | R183-V188 WeakPolarHBondContact CD-O 3.27Å; R183-V188 PolarHBondContact NE-O 3.25Å; F184-V188 PolarHBondContact O-N 2.9Å; Q185-V188 WeakPolarHBondContact O-CG2 3.11Å; V188-I236 HydrophobicContact CG1-CD1 4.31Å; V188-I247 HydrophobicContact CG2-CD1 4.08Å |
| 189 | F | 79.9 | Confident | 85.5 | Confident | 136 Ų | 136 | 30.1 Ų | 30.1 | 60% | 0.596 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 8.8 | -178.3 | -59 | -82.5 | 0 | 0 | 0 | 114.3 | N187 E191 N210 I236 | N187-F189 PolarHBondContact O-N 3.04Å; F189-E191 PolarHBondContact O-N 3.43Å; F189-N210 PolarHBondContact O-ND2 2.91Å; F189-I236 HydrophobicContact CD1-CG2 4.38Å; F189-I236 HydrophobicContact CE1-CG2 3.37Å; F189-I236 HydrophobicContact CZ-CG2 3.78Å |
| 190 | A | 86.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | trans | -60.2 | 136.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G157 L182 R183 N187 | G157-A190 WeakPolarHBondContact CA-O 3.38Å; L182-A190 HydrophobicContact CB-CB 3.77Å; L182-A190 WeakPolarHBondContact O-CB 3.47Å; R183-A190 HydrophobicContact CG-CB 3.83Å; R183-A190 PolarHBondContact NE-O 2.98Å; R183-A190 PolarHBondContact NH2-O 3.1Å; N187-A190 PolarHBondContact O-N 2.86Å | ||
| 191 | E | 91.5 | Very high | 85.5 | Confident | 49 Ų | 49 | 39.2 Ų | 39.2 | 23% | 0.229 | 20% | 0.196 | C | C | . | . | trans | -126.5 | 136.5 | 177.1 | -63.7 | -178.4 | 139.4 | 0 | 0 | 109.5 | E155 F189 K193 G209 N210 | E155-E191 HydrophobicContact CB-CB 4.46Å; E155-E191 HydrophobicContact CB-CG 4.19Å; E155-E191 HydrophobicContact CG-CB 4.39Å; E155-E191 HydrophobicContact CG-CG 4.37Å; F189-E191 PolarHBondContact O-N 3.43Å; E191-K193 IonicContact OE1-NZ 3.87Å; E191-K193 WeakPolarHBondContact OE2-CE 3.49Å; E191-K193 IonicContact OE2-NZ 3.75Å; E191-K193 PolarHBondContact OE2-NZ 3.21Å; E191-G209 WeakPolarHBondContact O-CA 3.36Å; E191-N210 HydrophobicContact CB-CB 4.29Å; E191-N210 PolarHBondContact N-OD1 2.93Å; E191-N210 PolarHBondContact O-N 3.1Å | ||
| 192 | A | 94.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 112 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | A153 S154 L182 V207 | A153-A192 CarbonylContact C-O 3.56Å; A153-A192 HydrophobicContact CB-CB 3.89Å; S154-A192 CarbonylContact C-O 3.54Å; S154-A192 PolarHBondContact N-O 3.43Å; S154-A192 WeakPolarHBondContact O-CB 3.48Å; S154-A192 PolarHBondContact O-N 2.92Å; L182-A192 HydrophobicContact CD1-CB 3.86Å; A192-V207 HydrophobicContact CB-CG1 4.35Å |
| 193 | K | 95.1 | Very high | 85.9 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 6% | 0.057 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -36.5 | -174.4 | -64.5 | -70.6 | -176.7 | 178.1 | 0 | 112.3 | K138 E155 E191 G208 V284 D695 | K138-K193 WeakPolarHBondContact CB-O 3.44Å; K138-K193 HydrophobicContact CG-CD 4.25Å; E155-K193 IonicContact OE1-NZ 3.49Å; E155-K193 PolarHBondContact OE1-NZ 3.38Å; E191-K193 IonicContact OE1-NZ 3.87Å; E191-K193 WeakPolarHBondContact OE2-CE 3.49Å; E191-K193 IonicContact OE2-NZ 3.75Å; E191-K193 PolarHBondContact OE2-NZ 3.21Å; K193-G208 PolarHBondContact N-O 3.28Å; K193-V284 WeakPolarHBondContact CB-O 3.46Å; K193-D695 WeakPolarHBondContact CE-OD2 3.29Å; K193-D695 IonicContact NZ-OD2 3.53Å; K193-D695 PolarHBondContact NZ-OD2 2.85Å |
| 194 | C | 97 | Very high | 86.4 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 148.6 | -178.3 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | R139 V207 G208 V284 V287 | R139-C194 HydrophobicContact CG-CB 4.47Å; C194-V207 WeakPolarHBondContact O-CA 3.48Å; C194-G208 PolarHBondContact N-O 3.38Å; C194-G208 PolarHBondContact O-N 3.29Å; C194-G208 VanDerWaalsContact SG-CA 3.56Å; C194-V284 PolarHBondContact SG-O 3.31Å; C194-V287 HydrophobicContact CB-CG2 4.21Å |
| 195 | I | 97.9 | Very high | 87.6 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 141.3 | 176.3 | -177.6 | 159.7 | 0 | 0 | 0 | 109.3 | R139 A141 W151 A153 C159 V205 A206 V207 | R139-I195 HydrophobicContact CB-CG2 4.19Å; R139-I195 HydrophobicContact CG-CG2 4.3Å; A141-I195 HydrophobicContact CB-CG1 4.42Å; A141-I195 HydrophobicContact CB-CG2 4.04Å; W151-I195 HydrophobicContact CB-CD1 3.72Å; W151-I195 HydrophobicContact CG-CD1 4.45Å; A153-I195 HydrophobicContact CB-CB 4.04Å; A153-I195 HydrophobicContact CB-CG2 3.83Å; C159-I195 HydrophobicContact CB-CD1 4.02Å; I195-V205 HydrophobicContact CD1-CG1 3.6Å; I195-V205 HydrophobicContact CG1-CG1 3.63Å; I195-A206 CarbonylContact C-O 3.5Å; I195-A206 VanDerWaalsContact CA-O 3.3Å; I195-A206 WeakPolarHBondContact CA-O 3.41Å; I195-V207 HydrophobicContact CD1-CG2 4.29Å; I195-V207 HydrophobicContact CG1-CG2 4.34Å |
| 196 | A | 97.5 | Very high | 89.6 | Confident | 13 Ų | 13 | 35 Ų | 35 | 11% | 0.107 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 150.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V205 A206 V287 F289 | A196-V205 CarbonylContact O-C 3.56Å; A196-V205 WeakPolarHBondContact O-CA 3.49Å; A196-A206 PolarHBondContact N-O 3.37Å; A196-A206 PolarHBondContact O-N 3.38Å; A196-V287 HydrophobicContact CB-CG2 3.85Å; A196-F289 HydrophobicContact CB-CD2 3.94Å; A196-F289 HydrophobicContact CB-CE2 3.99Å |
| 197 | V | 96.3 | Very high | 91.5 | Very high | 18 Ų | 18 | 31.3 Ų | 31.3 | 11% | 0.109 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.8 | 175.8 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | A141 W151 V205 F289 | A141-V197 HydrophobicContact CB-CG2 4.12Å; W151-V197 HydrophobicContact CD2-CG2 4.18Å; W151-V197 HydrophobicContact CE3-CG2 3.53Å; W151-V197 HydrophobicContact CH2-CG2 4.48Å; W151-V197 HydrophobicContact CZ3-CG2 3.71Å; V197-V205 HydrophobicContact CG2-CG2 4.38Å; V197-F289 WeakPolarHBondContact O-CD2 3.32Å |
| 198 | N | 95.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | trans | -69.8 | 128.4 | 178.3 | -176.3 | -67.4 | 0 | 0 | 0 | 110.2 | L200 K201 S202 L204 F289 G293 | N198-L200 VanDerWaalsContact C-N 3.32Å; N198-L200 PolarHBondContact O-N 2.86Å; N198-L200 PolarHBondContact OD1-N 3.06Å; N198-L200 VanDerWaalsContact OD1-N 3.16Å; N198-K201 HydrophobicContact CB-CB 4.4Å; N198-K201 WeakPolarHBondContact CB-O 3.28Å; N198-K201 CarbonylContact O-C 3.52Å; N198-K201 PolarHBondContact O-N 3.07Å; N198-K201 PolarHBondContact OD1-N 2.9Å; N198-S202 PolarHBondContact O-N 2.81Å; N198-L204 HydrophobicContact CB-CB 3.89Å; N198-L204 PolarHBondContact N-O 3.42Å; N198-F289 HydrophobicContact CB-CD1 4.18Å; N198-F289 HydrophobicContact CB-CD2 4.2Å; N198-F289 HydrophobicContact CB-CE1 4.02Å; N198-F289 HydrophobicContact CB-CE2 4.03Å; N198-F289 HydrophobicContact CB-CG 4.27Å; N198-F289 HydrophobicContact CB-CZ 3.93Å; N198-F289 WeakPolarHBondContact ND2-CD1 3.31Å; N198-G293 WeakPolarHBondContact ND2-CA 3.38Å; N198-G293 PolarHBondContact ND2-O 3.12Å | ||
| 199 | P | 90.7 | Very high | 93.7 | Very high | 64 Ų | 64 | 29.1 Ų | 29.1 | 42% | 0.416 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -67.7 | -28.7 | -169.8 | 25.1 | -34.3 | 0 | 0 | 0 | 113.8 | F289 S290 | P199-F289 HydrophobicContact CG-CB 4.48Å; P199-S290 WeakPolarHBondContact CG-O 3.34Å |
| 200 | L | 89.9 | Confident | 94.1 | Very high | 120 Ų | 120 | 24.6 Ų | 24.6 | 63% | 0.628 | 13% | 0.131 | S | C | * | . | S | Bend | trans | -100.8 | -16.8 | 179.8 | -58 | -164.3 | 0 | 0 | 0 | 113.7 | N198 D292 | N198-L200 VanDerWaalsContact C-N 3.32Å; N198-L200 PolarHBondContact O-N 2.86Å; N198-L200 PolarHBondContact OD1-N 3.06Å; N198-L200 VanDerWaalsContact OD1-N 3.16Å; L200-D292 WeakPolarHBondContact CD1-O 3.14Å |
| 201 | K | 92.8 | Very high | 94.2 | Very high | 91 Ų | 91 | 25.8 Ų | 25.8 | 40% | 0.396 | 14% | 0.137 | S | C | . | . | trans | -134.2 | 72.7 | -176.2 | -66.4 | 169.1 | -172 | 142.8 | 0 | 109.1 | N198 E203 L204 | N198-K201 HydrophobicContact CB-CB 4.4Å; N198-K201 WeakPolarHBondContact CB-O 3.28Å; N198-K201 CarbonylContact O-C 3.52Å; N198-K201 PolarHBondContact O-N 3.07Å; N198-K201 PolarHBondContact OD1-N 2.9Å; K201-E203 VanDerWaalsContact CA-OE2 3.3Å; K201-E203 WeakPolarHBondContact CA-OE2 3.43Å; K201-E203 PolarHBondContact O-N 2.87Å; K201-L204 HydrophobicContact CB-CD1 4.08Å; K201-L204 HydrophobicContact CB-CG 4.12Å; K201-L204 HydrophobicContact CD-CD1 4.02Å; K201-L204 WeakPolarHBondContact O-CB 3.3Å; K201-L204 PolarHBondContact O-N 3.43Å | ||
| 202 | S | 92.6 | Very high | 94.2 | Very high | 22 Ų | 22 | 23.6 Ų | 23.6 | 15% | 0.154 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -10 | -172.3 | 67.7 | 0 | 0 | 0 | 0 | 113.9 | S145 N198 L204 R219 | S145-S202 WeakPolarHBondContact OG-CB 3.4Å; S145-S202 PolarHBondContact OG-OG 3.08Å; N198-S202 PolarHBondContact O-N 2.81Å; S202-L204 PolarHBondContact O-N 3Å; S202-R219 VanDerWaalsContact O-CZ 3.3Å; S202-R219 PolarHBondContact O-NE 3.25Å; S202-R219 PolarHBondContact O-NH2 3.31Å; S202-R219 PolarHBondContact OG-NH2 3.33Å |
| 203 | E | 93.8 | Very high | 94 | Very high | 42 Ų | 42 | 23.7 Ų | 23.7 | 20% | 0.196 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21.7 | 166.7 | 72.3 | -98.9 | -132 | 0 | 0 | 114.2 | K201 D218 R219 R220 | K201-E203 VanDerWaalsContact CA-OE2 3.3Å; K201-E203 WeakPolarHBondContact CA-OE2 3.43Å; K201-E203 PolarHBondContact O-N 2.87Å; E203-D218 CarbonylContact O-C 3.56Å; E203-D218 WeakPolarHBondContact O-CA 3.28Å; E203-R219 WeakPolarHBondContact O-CG 2.97Å; E203-R219 PolarHBondContact O-N 2.99Å; E203-R220 HydrophobicContact CB-CG 3.94Å; E203-R220 VanDerWaalsContact CD-NH1 3.35Å; E203-R220 VanDerWaalsContact CG-CZ 3.45Å; E203-R220 IonicContact OE1-CZ 3.1Å; E203-R220 IonicContact OE1-NH1 2.93Å; E203-R220 PolarHBondContact OE1-NH1 3.14Å; E203-R220 IonicContact OE1-NH2 2.8Å; E203-R220 PolarHBondContact OE1-NH2 2.83Å |
| 204 | L | 95 | Very high | 94.1 | Very high | 31 Ų | 31 | 23.2 Ų | 23.2 | 16% | 0.162 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 119.3 | -175 | -59.7 | -175.1 | 0 | 0 | 0 | 110.2 | N198 K201 S202 M216 F217 D218 | N198-L204 HydrophobicContact CB-CB 3.89Å; N198-L204 PolarHBondContact N-O 3.42Å; K201-L204 HydrophobicContact CB-CD1 4.08Å; K201-L204 HydrophobicContact CB-CG 4.12Å; K201-L204 HydrophobicContact CD-CD1 4.02Å; K201-L204 WeakPolarHBondContact O-CB 3.3Å; K201-L204 PolarHBondContact O-N 3.43Å; S202-L204 PolarHBondContact O-N 3Å; L204-M216 HydrophobicContact CB-CG 4.43Å; L204-M216 HydrophobicContact CB-SD 4.31Å; L204-M216 HydrophobicContact CD1-CE 4.4Å; L204-M216 HydrophobicContact CD1-SD 4.22Å; L204-F217 WeakPolarHBondContact CA-O 3.05Å; L204-D218 HydrophobicContact CD2-CB 4.14Å |
| 205 | V | 96.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 119.7 | -177.2 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | I195 A196 V197 V207 M216 F217 | I195-V205 HydrophobicContact CD1-CG1 3.6Å; I195-V205 HydrophobicContact CG1-CG1 3.63Å; A196-V205 CarbonylContact O-C 3.56Å; A196-V205 WeakPolarHBondContact O-CA 3.49Å; V197-V205 HydrophobicContact CG2-CG2 4.38Å; V205-V207 HydrophobicContact CG1-CG2 4.38Å; V205-M216 CarbonylContact O-C 3.55Å; V205-M216 WeakPolarHBondContact O-CA 3.22Å; V205-F217 PolarHBondContact N-O 3.18Å; V205-F217 PolarHBondContact O-N 3.24Å |
| 206 | A | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I195 A196 V214 R215 V287 F289 L296 | I195-A206 CarbonylContact C-O 3.5Å; I195-A206 VanDerWaalsContact CA-O 3.3Å; I195-A206 WeakPolarHBondContact CA-O 3.41Å; A196-A206 PolarHBondContact N-O 3.37Å; A196-A206 PolarHBondContact O-N 3.38Å; A206-V214 HydrophobicContact CB-CG1 4.3Å; A206-R215 CarbonylContact C-O 3.54Å; A206-R215 WeakPolarHBondContact CA-O 3.31Å; A206-V287 HydrophobicContact CB-CG2 4.38Å; A206-F289 HydrophobicContact CB-CE2 3.85Å; A206-F289 HydrophobicContact CB-CZ 3.66Å; A206-L296 HydrophobicContact CB-CD1 3.9Å; A206-L296 HydrophobicContact CB-CD2 3.99Å |
| 207 | V | 97.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.3 | 179 | -180 | 0 | 0 | 0 | 0 | 109.7 | C159 L182 A192 C194 I195 V205 R215 F217 | C159-V207 VanDerWaalsContact SG-CG1 3.52Å; L182-V207 HydrophobicContact CD1-CG1 4.04Å; A192-V207 HydrophobicContact CB-CG1 4.35Å; C194-V207 WeakPolarHBondContact O-CA 3.48Å; I195-V207 HydrophobicContact CD1-CG2 4.29Å; I195-V207 HydrophobicContact CG1-CG2 4.34Å; V205-V207 HydrophobicContact CG1-CG2 4.38Å; V207-R215 PolarHBondContact N-O 2.97Å; V207-R215 PolarHBondContact O-N 3.48Å; V207-F217 HydrophobicContact CB-CE2 4.25Å; V207-F217 HydrophobicContact CG2-CD2 4.21Å; V207-F217 HydrophobicContact CG2-CE2 4.19Å |
| 208 | G | 95.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 156.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K193 C194 | K193-G208 PolarHBondContact N-O 3.28Å; C194-G208 PolarHBondContact N-O 3.38Å; C194-G208 PolarHBondContact O-N 3.29Å; C194-G208 VanDerWaalsContact SG-CA 3.56Å |
| 209 | G | 92.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | -164 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E191 E211 S283 V284 | E191-G209 WeakPolarHBondContact O-CA 3.36Å; G209-E211 PolarHBondContact O-N 3.42Å; G209-S283 CarbonylContact O-C 3.59Å; G209-S283 WeakPolarHBondContact O-CA 2.9Å; G209-V284 PolarHBondContact O-N 2.77Å |
| 210 | N | 89.9 | Confident | 93.6 | Very high | 40 Ų | 40 | 29.8 Ų | 29.8 | 21% | 0.214 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -75 | 32.2 | 175.7 | 64.1 | -19.2 | 0 | 0 | 0 | 114.4 | F189 E191 F282 | F189-N210 PolarHBondContact O-ND2 2.91Å; E191-N210 HydrophobicContact CB-CB 4.29Å; E191-N210 PolarHBondContact N-OD1 2.93Å; E191-N210 PolarHBondContact O-N 3.1Å; N210-F282 CarbonylContact C-O 3.53Å |
| 211 | E | 87.5 | Confident | 93.6 | Very high | 26 Ų | 26 | 28.7 Ų | 28.7 | 12% | 0.121 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -136.1 | 155.2 | 170.3 | -68.8 | -173.9 | 119 | 0 | 0 | 108.3 | G209 F213 R215 F282 V284 R676 | G209-E211 PolarHBondContact O-N 3.42Å; E211-F213 HydrophobicContact CB-CD2 4.44Å; E211-F213 PolarHBondContact O-N 3.43Å; E211-R215 IonicContact OE2-CZ 3.26Å; E211-R215 VanDerWaalsContact OE2-CZ 3.29Å; E211-R215 IonicContact OE2-NH1 2.96Å; E211-R215 PolarHBondContact OE2-NH1 2.93Å; E211-R215 IonicContact OE2-NH2 3.59Å; E211-R215 PolarHBondContact OE2-NH2 3.33Å; E211-F282 CarbonylContact C-O 3.57Å; E211-F282 WeakPolarHBondContact CA-O 3.44Å; E211-F282 PolarHBondContact N-O 2.96Å; E211-V284 WeakPolarHBondContact O-CG2 3.4Å; E211-R676 IonicContact OE1-CZ 2.79Å; E211-R676 IonicContact OE1-NH1 3.53Å; E211-R676 PolarHBondContact OE1-NH1 2.94Å; E211-R676 IonicContact OE1-NH2 2.76Å; E211-R676 PolarHBondContact OE1-NH2 3.18Å; E211-R676 IonicContact OE2-CZ 2.67Å; E211-R676 IonicContact OE2-NH1 3.55Å; E211-R676 IonicContact OE2-NH2 3.62Å; E211-R676 PolarHBondContact OE2-NH2 2.78Å; E211-R676 VanDerWaalsContact OE2-NH2 3.1Å |
| 212 | P | 90.8 | Very high | 93.5 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -70.6 | -0.4 | 179.7 | 30.8 | -36.8 | 0 | 0 | 0 | 114.4 | V264 L268 P269 I272 F282 | P212-V264 HydrophobicContact CB-CG2 4.16Å; P212-V264 HydrophobicContact CG-CG2 4.28Å; P212-L268 HydrophobicContact CB-CB 3.92Å; P212-L268 HydrophobicContact CB-CD1 3.91Å; P212-L268 HydrophobicContact CG-CB 4.22Å; P212-P269 HydrophobicContact CG-CG 4.29Å; P212-I272 HydrophobicContact CG-CD1 4.09Å; P212-F282 HydrophobicContact CB-CB 3.97Å; P212-F282 HydrophobicContact CB-CG 4.41Å; P212-F282 HydrophobicContact CG-CB 4.43Å |
| 213 | F | 92.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 1% | 0.013 | 15% | 0.145 | C | C | . | . | trans | -88.6 | 125.7 | -177.9 | -69.7 | -88.6 | 0 | 0 | 0 | 111.7 | E211 Y262 F263 V264 P269 L659 R676 A679 | E211-F213 HydrophobicContact CB-CD2 4.44Å; E211-F213 PolarHBondContact O-N 3.43Å; F213-Y262 AromaticContact CD1-CD1 3.97Å; F213-Y262 HydrophobicContact CD1-CD1 3.97Å; F213-F263 WeakPolarHBondContact CA-O 3.32Å; F213-V264 HydrophobicContact CD1-CB 3.68Å; F213-V264 HydrophobicContact CD1-CG1 4.05Å; F213-V264 HydrophobicContact CD1-CG2 4.01Å; F213-V264 HydrophobicContact CE1-CB 3.81Å; F213-V264 HydrophobicContact CE1-CG1 3.69Å; F213-V264 HydrophobicContact CE1-CG2 4.03Å; F213-V264 HydrophobicContact CG-CB 4.33Å; F213-V264 HydrophobicContact CG-CG2 4.28Å; F213-V264 HydrophobicContact CZ-CG1 4.42Å; F213-V264 HydrophobicContact CZ-CG2 4.3Å; F213-P269 HydrophobicContact CE2-CB 4.47Å; F213-P269 HydrophobicContact CE2-CG 4.01Å; F213-P269 HydrophobicContact CZ-CB 4.36Å; F213-P269 HydrophobicContact CZ-CG 3.81Å; F213-L659 HydrophobicContact CE1-CD1 4.44Å; F213-L659 HydrophobicContact CZ-CD1 4.19Å; F213-R676 HydrophobicContact CD1-CG 4.24Å; F213-R676 HydrophobicContact CE1-CB 3.81Å; F213-R676 HydrophobicContact CE1-CG 3.76Å; F213-R676 HydrophobicContact CE2-CG 4.22Å; F213-R676 HydrophobicContact CZ-CB 3.84Å; F213-R676 HydrophobicContact CZ-CG 3.75Å; F213-A679 HydrophobicContact CD1-CB 4.3Å; F213-A679 HydrophobicContact CE1-CB 4.05Å | ||
| 214 | V | 95.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130.5 | 164.3 | -173.1 | 0 | 0 | 0 | 0 | 109.1 | A206 Y262 F263 V284 V287 L296 A298 | A206-V214 HydrophobicContact CB-CG1 4.3Å; V214-Y262 WeakPolarHBondContact O-CA 3.11Å; V214-F263 HydrophobicContact CB-CB 4.31Å; V214-F263 PolarHBondContact N-O 3.36Å; V214-F263 PolarHBondContact O-N 3.43Å; V214-V284 HydrophobicContact CG2-CG1 4Å; V214-V284 HydrophobicContact CG2-CG2 3.95Å; V214-V287 HydrophobicContact CG1-CG1 3.81Å; V214-V287 HydrophobicContact CG2-CG1 4.1Å; V214-L296 HydrophobicContact CG1-CD2 3.88Å; V214-A298 HydrophobicContact CG2-CB 3.81Å |
| 215 | R | 94.5 | Very high | 92.7 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 3% | 0.026 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 112.7 | -175.3 | -62.2 | 174.2 | 166.7 | 92.1 | -4.1 | 109.3 | A206 V207 E211 F217 Y262 E672 | A206-R215 CarbonylContact C-O 3.54Å; A206-R215 WeakPolarHBondContact CA-O 3.31Å; V207-R215 PolarHBondContact N-O 2.97Å; V207-R215 PolarHBondContact O-N 3.48Å; E211-R215 IonicContact OE2-CZ 3.26Å; E211-R215 VanDerWaalsContact OE2-CZ 3.29Å; E211-R215 IonicContact OE2-NH1 2.96Å; E211-R215 PolarHBondContact OE2-NH1 2.93Å; E211-R215 IonicContact OE2-NH2 3.59Å; E211-R215 PolarHBondContact OE2-NH2 3.33Å; R215-F217 HydrophobicContact CB-CD2 4.3Å; R215-F217 HydrophobicContact CB-CE2 3.48Å; R215-F217 VanDerWaalsContact CB-CE2 3.48Å; R215-F217 HydrophobicContact CB-CZ 3.83Å; R215-Y262 HydrophobicContact CB-CE2 4.26Å; R215-Y262 HydrophobicContact CG-CD1 4.36Å; R215-Y262 HydrophobicContact CG-CD2 4.13Å; R215-Y262 HydrophobicContact CG-CE1 4.07Å; R215-Y262 HydrophobicContact CG-CE2 3.78Å; R215-Y262 HydrophobicContact CG-CG 4.4Å; R215-Y262 VanDerWaalsContact NE-CZ 3.34Å; R215-Y262 PolarHBondContact NE-OH 2.88Å; R215-Y262 VanDerWaalsContact NE-OH 3.08Å; R215-E672 IonicContact CZ-OE1 3.96Å; R215-E672 IonicContact NE-OE1 2.83Å; R215-E672 IonicContact NH2-OE1 2.67Å; R215-E672 PolarHBondContact NH2-OE1 3.04Å |
| 216 | M | 95.2 | Very high | 92.1 | Very high | 16 Ų | 16 | 34.7 Ų | 34.7 | 8% | 0.079 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 116.6 | 175.3 | -172.8 | 179.1 | 67.5 | 0 | 0 | 110.3 | L204 V205 A260 K261 F263 F289 L310 | L204-M216 HydrophobicContact CB-CG 4.43Å; L204-M216 HydrophobicContact CB-SD 4.31Å; L204-M216 HydrophobicContact CD1-CE 4.4Å; L204-M216 HydrophobicContact CD1-SD 4.22Å; V205-M216 CarbonylContact O-C 3.55Å; V205-M216 WeakPolarHBondContact O-CA 3.22Å; M216-A260 CarbonylContact O-C 3.59Å; M216-A260 VanDerWaalsContact O-CA 3.3Å; M216-A260 WeakPolarHBondContact O-CA 3.41Å; M216-K261 HydrophobicContact CE-CB 4.24Å; M216-K261 HydrophobicContact CE-CD 4.02Å; M216-K261 PolarHBondContact N-O 3.34Å; M216-K261 PolarHBondContact O-N 3.26Å; M216-F263 HydrophobicContact CB-CD2 4.47Å; M216-F263 HydrophobicContact CB-CE2 3.79Å; M216-F263 HydrophobicContact CE-CE2 4.14Å; M216-F263 HydrophobicContact CE-CZ 4.16Å; M216-F263 HydrophobicContact SD-CE2 4.45Å; M216-F289 HydrophobicContact SD-CE1 4.17Å; M216-F289 HydrophobicContact SD-CZ 4.28Å; M216-L310 HydrophobicContact CE-CD2 4.22Å; M216-L310 HydrophobicContact SD-CD1 4.28Å; M216-L310 HydrophobicContact SD-CD2 3.92Å |
| 217 | F | 95.2 | Very high | 91 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 144.4 | -178.6 | -61.8 | -89.9 | 0 | 0 | 0 | 111.7 | V180 L204 V205 V207 R215 L222 F255 A259 A260 | V180-F217 HydrophobicContact CB-CE2 4.49Å; V180-F217 HydrophobicContact CB-CZ 4.49Å; V180-F217 HydrophobicContact CG1-CE1 4.13Å; V180-F217 HydrophobicContact CG1-CE2 3.86Å; V180-F217 HydrophobicContact CG1-CZ 3.56Å; V180-F217 HydrophobicContact CG2-CD1 4.13Å; V180-F217 HydrophobicContact CG2-CD2 3.87Å; V180-F217 HydrophobicContact CG2-CE1 4.15Å; V180-F217 HydrophobicContact CG2-CE2 3.89Å; V180-F217 HydrophobicContact CG2-CG 3.99Å; V180-F217 HydrophobicContact CG2-CZ 4.03Å; L204-F217 WeakPolarHBondContact CA-O 3.05Å; V205-F217 PolarHBondContact N-O 3.18Å; V205-F217 PolarHBondContact O-N 3.24Å; V207-F217 HydrophobicContact CB-CE2 4.25Å; V207-F217 HydrophobicContact CG2-CD2 4.21Å; V207-F217 HydrophobicContact CG2-CE2 4.19Å; R215-F217 HydrophobicContact CB-CD2 4.3Å; R215-F217 HydrophobicContact CB-CE2 3.48Å; R215-F217 VanDerWaalsContact CB-CE2 3.48Å; R215-F217 HydrophobicContact CB-CZ 3.83Å; F217-L222 HydrophobicContact CB-CD1 3.92Å; F217-L222 HydrophobicContact CD1-CD1 4.16Å; F217-L222 HydrophobicContact CD1-CD2 4.31Å; F217-L222 HydrophobicContact CG-CD1 4.22Å; F217-F255 HydrophobicContact CE1-CD1 4.07Å; F217-F255 HydrophobicContact CE1-CD2 4.1Å; F217-F255 AromaticContact CE1-CE1 3.86Å; F217-F255 HydrophobicContact CE1-CE1 3.86Å; F217-F255 AromaticContact CE1-CE2 3.88Å; F217-F255 HydrophobicContact CE1-CE2 3.88Å; F217-F255 HydrophobicContact CE1-CG 4.19Å; F217-F255 AromaticContact CE1-CZ 3.77Å; F217-F255 HydrophobicContact CE1-CZ 3.77Å; F217-F255 HydrophobicContact CZ-CE1 4.35Å; F217-F255 HydrophobicContact CZ-CZ 4.29Å; F217-A259 WeakPolarHBondContact CA-O 3.35Å; F217-A260 HydrophobicContact CD1-CB 3.68Å; F217-A260 HydrophobicContact CE1-CB 3.7Å; F217-A260 HydrophobicContact CG-CB 4.43Å; F217-A260 HydrophobicContact CZ-CB 4.47Å |
| 218 | D | 94.6 | Very high | 89.3 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 99.3 | 163.2 | 178.1 | -9.8 | 0 | 0 | 0 | 108.1 | E203 L204 R220 K221 A259 | E203-D218 CarbonylContact O-C 3.56Å; E203-D218 WeakPolarHBondContact O-CA 3.28Å; L204-D218 HydrophobicContact CD2-CB 4.14Å; D218-R220 PolarHBondContact O-N 3.31Å; D218-R220 WeakPolarHBondContact OD1-CB 3.42Å; D218-R220 IonicContact OD1-CZ 2.76Å; D218-R220 PolarHBondContact OD1-N 3.17Å; D218-R220 IonicContact OD1-NE 2.74Å; D218-R220 PolarHBondContact OD1-NE 3.12Å; D218-R220 IonicContact OD1-NH2 3.23Å; D218-R220 PolarHBondContact OD1-NH2 3.33Å; D218-R220 IonicContact OD2-CZ 2.87Å; D218-R220 IonicContact OD2-NE 3.35Å; D218-R220 IonicContact OD2-NH2 3.96Å; D218-R220 PolarHBondContact OD2-NH2 3.47Å; D218-K221 HydrophobicContact CB-CD 4.1Å; D218-K221 WeakPolarHBondContact O-CB 3.16Å; D218-K221 PolarHBondContact O-N 3.04Å; D218-K221 VanDerWaalsContact OD2-CE 3.28Å; D218-K221 WeakPolarHBondContact OD2-CE 3.16Å; D218-K221 IonicContact OD2-NZ 3.25Å; D218-K221 PolarHBondContact OD2-NZ 3.15Å; D218-K221 VanDerWaalsContact OD2-NZ 3.09Å; D218-A259 PolarHBondContact N-O 3.17Å |
| 219 | R | 92.5 | Very high | 87.3 | Confident | 35 Ų | 35 | 44.3 Ų | 44.3 | 13% | 0.132 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -62.1 | -18 | -171 | 70.8 | -174.1 | 163.7 | 103.6 | 13.9 | 114 | E146 L179 S202 E203 K221 L222 | E146-R219 IonicContact OE1-CZ 2.67Å; E146-R219 IonicContact OE1-NH1 2.72Å; E146-R219 PolarHBondContact OE1-NH1 3.16Å; E146-R219 IonicContact OE1-NH2 3.87Å; E146-R219 PolarHBondContact OE1-NH2 3.01Å; E146-R219 IonicContact OE2-CZ 3.18Å; E146-R219 IonicContact OE2-NH1 3.29Å; E146-R219 PolarHBondContact OE2-NH1 3.26Å; E146-R219 IonicContact OE2-NH2 2.74Å; E146-R219 PolarHBondContact OE2-NH2 3.43Å; L179-R219 HydrophobicContact CD1-CB 4.04Å; L179-R219 HydrophobicContact CD2-CB 4.4Å; S202-R219 VanDerWaalsContact O-CZ 3.3Å; S202-R219 PolarHBondContact O-NE 3.25Å; S202-R219 PolarHBondContact O-NH2 3.31Å; S202-R219 PolarHBondContact OG-NH2 3.33Å; E203-R219 WeakPolarHBondContact O-CG 2.97Å; E203-R219 PolarHBondContact O-N 2.99Å; R219-K221 PolarHBondContact O-N 3.13Å; R219-L222 PolarHBondContact O-N 3.04Å; R219-L222 VanDerWaalsContact O-N 3.12Å |
| 220 | R | 92.2 | Very high | 84.9 | Confident | 165 Ų | 165 | 48.6 Ų | 48.6 | 62% | 0.623 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -68.1 | -16.2 | 173.5 | -55.4 | 171.1 | -59.8 | -157.2 | -0.9 | 113.1 | E203 D218 | E203-R220 HydrophobicContact CB-CG 3.94Å; E203-R220 VanDerWaalsContact CD-NH1 3.35Å; E203-R220 VanDerWaalsContact CG-CZ 3.45Å; E203-R220 IonicContact OE1-CZ 3.1Å; E203-R220 IonicContact OE1-NH1 2.93Å; E203-R220 PolarHBondContact OE1-NH1 3.14Å; E203-R220 IonicContact OE1-NH2 2.8Å; E203-R220 PolarHBondContact OE1-NH2 2.83Å; D218-R220 PolarHBondContact O-N 3.31Å; D218-R220 WeakPolarHBondContact OD1-CB 3.42Å; D218-R220 IonicContact OD1-CZ 2.76Å; D218-R220 PolarHBondContact OD1-N 3.17Å; D218-R220 IonicContact OD1-NE 2.74Å; D218-R220 PolarHBondContact OD1-NE 3.12Å; D218-R220 IonicContact OD1-NH2 3.23Å; D218-R220 PolarHBondContact OD1-NH2 3.33Å; D218-R220 IonicContact OD2-CZ 2.87Å; D218-R220 IonicContact OD2-NE 3.35Å; D218-R220 IonicContact OD2-NH2 3.96Å; D218-R220 PolarHBondContact OD2-NH2 3.47Å |
| 221 | K | 91.4 | Very high | 82.7 | Confident | 96 Ų | 96 | 48.5 Ų | 48.5 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -100.5 | -0.2 | 175.2 | -61.4 | 170.1 | -175.6 | 149.4 | 0 | 112.6 | D218 R219 G258 A259 | D218-K221 HydrophobicContact CB-CD 4.1Å; D218-K221 WeakPolarHBondContact O-CB 3.16Å; D218-K221 PolarHBondContact O-N 3.04Å; D218-K221 VanDerWaalsContact OD2-CE 3.28Å; D218-K221 WeakPolarHBondContact OD2-CE 3.16Å; D218-K221 IonicContact OD2-NZ 3.25Å; D218-K221 PolarHBondContact OD2-NZ 3.15Å; D218-K221 VanDerWaalsContact OD2-NZ 3.09Å; R219-K221 PolarHBondContact O-N 3.13Å; K221-G258 WeakPolarHBondContact CD-O 3.41Å; K221-G258 PolarHBondContact NZ-O 3.02Å; K221-A259 HydrophobicContact CB-CB 3.83Å; K221-A259 HydrophobicContact CD-CB 4.3Å |
| 222 | L | 90.3 | Very high | 80.2 | Confident | 24 Ų | 24 | 51.7 Ų | 51.7 | 13% | 0.126 | 29% | 0.29 | C | S | . | . | trans | -98.5 | 156.3 | 175.4 | -57 | -178 | 0 | 0 | 0 | 109.2 | L179 V180 F217 R219 F255 A259 | L179-L222 HydrophobicContact CD1-CB 4.02Å; L179-L222 HydrophobicContact CD1-CD1 3.84Å; L179-L222 HydrophobicContact CG-CD1 4.02Å; V180-L222 HydrophobicContact CG2-CD1 3.76Å; F217-L222 HydrophobicContact CB-CD1 3.92Å; F217-L222 HydrophobicContact CD1-CD1 4.16Å; F217-L222 HydrophobicContact CD1-CD2 4.31Å; F217-L222 HydrophobicContact CG-CD1 4.22Å; R219-L222 PolarHBondContact O-N 3.04Å; R219-L222 VanDerWaalsContact O-N 3.12Å; L222-F255 HydrophobicContact CD2-CB 3.64Å; L222-F255 HydrophobicContact CD2-CG 4.42Å; L222-A259 HydrophobicContact CD2-CB 4.09Å | ||
| 223 | T | 88.1 | Confident | 78 | Confident | 126 Ų | 126 | 55 Ų | 55 | 77% | 0.773 | 31% | 0.306 | S | S | * | . | trans | -123.6 | 131.2 | 171.8 | -59.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 224 | L | 89.8 | Confident | 75.3 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 29% | 0.293 | 35% | 0.35 | S | S | . | . | trans | -62.7 | 143.9 | 177.4 | -61.7 | -179.6 | 0 | 0 | 0 | 109.7 | Q161 C176 V178 L179 | Q161-L224 HydrophobicContact CB-CD2 4.14Å; C176-L224 WeakPolarHBondContact O-CB 3.31Å; C176-L224 PolarHBondContact SG-O 3.14Å; C176-L224 VanDerWaalsContact SG-O 3.4Å; V178-L224 WeakPolarHBondContact O-CA 3.44Å; L179-L224 HydrophobicContact CB-CD2 3.95Å; L179-L224 HydrophobicContact CD1-CD2 3.82Å | ||
| 225 | S | 86.4 | Confident | 72.4 | Confident | 43 Ų | 43 | 66.6 Ų | 66.6 | 30% | 0.301 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 161.3 | -177.6 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | C176 N177 V178 | C176-S225 CarbonylContact C-O 3.56Å; N177-S225 PolarHBondContact N-O 2.9Å; V178-S225 VanDerWaalsContact CB-O 3.3Å; V178-S225 WeakPolarHBondContact CB-O 3.3Å; V178-S225 PolarHBondContact N-O 3.2Å; V178-S225 PolarHBondContact O-N 3.31Å; V178-S225 PolarHBondContact O-OG 3.36Å |
| 226 | T | 83.2 | Confident | 69.9 | Low | 66 Ų | 66 | 67.8 Ų | 67.8 | 41% | 0.405 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136.2 | 172.4 | 51.2 | 0 | 0 | 0 | 0 | 109.9 | K174 C176 D228 | K174-T226 VanDerWaalsContact O-CG2 3.31Å; K174-T226 WeakPolarHBondContact O-CG2 3.38Å; C176-T226 HydrophobicContact CB-CG2 3.8Å; T226-D228 PolarHBondContact O-N 2.93Å |
| 227 | Y | 75.7 | Confident | 67.3 | Low | 23 Ų | 23 | 75.8 Ų | 75.8 | 9% | 0.09 | 42% | 0.415 | C | S | . | . | trans | -77.7 | 117.6 | 173.9 | -164.3 | -98.6 | 0 | 0 | 0 | 110.8 | T158 S229 | T158-Y227 HydrophobicContact CG2-CD2 3.61Å; T158-Y227 HydrophobicContact CG2-CE2 3.65Å; Y227-S229 PolarHBondContact O-N 3.17Å | ||
| 228 | D | 62.2 | Low | 64.5 | Low | 99 Ų | 99 | 80.2 Ų | 80.2 | 53% | 0.529 | 45% | 0.452 | S | S | . | . | trans | -89 | 102.2 | 172.4 | -88.3 | -37.7 | 0 | 0 | 0 | 111.2 | K174 T226 A230 | K174-D228 IonicContact NZ-OD1 2.7Å; K174-D228 PolarHBondContact NZ-OD1 2.79Å; T226-D228 PolarHBondContact O-N 2.93Å; D228-A230 PolarHBondContact O-N 3.21Å | ||
| 229 | S | 54 | Low | 61.5 | Low | 82 Ų | 82 | 82.2 Ų | 82.2 | 57% | 0.573 | 47% | 0.471 | S | S | * | . | trans | -65.5 | 23.9 | 177.5 | -37.2 | 0 | 0 | 0 | 0 | 115.2 | Y227 T231 | Y227-S229 PolarHBondContact O-N 3.17Å; S229-T231 PolarHBondContact O-N 2.89Å | ||
| 230 | A | 42 | Very low | 58.7 | Low | 91 Ų | 91 | 84 Ų | 84 | 75% | 0.752 | 49% | 0.489 | S | S | * | . | trans | -75.6 | -1.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D228 | D228-A230 PolarHBondContact O-N 3.21Š| ||
| 231 | T | 43.3 | Very low | 56 | Low | 39 Ų | 39 | 86.5 Ų | 86.5 | 24% | 0.239 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -90.6 | 116 | 170.7 | 40.6 | 0 | 0 | 0 | 0 | 109.8 | S229 Q233 I247 | S229-T231 PolarHBondContact O-N 2.89Å; T231-Q233 PolarHBondContact O-N 3.16Å; T231-I247 HydrophobicContact CG2-CD1 3.93Å; T231-I247 HydrophobicContact CG2-CG1 4.05Å |
| 232 | P | 34 | Very low | 53.4 | Low | 92 Ų | 92 | 92.6 Ų | 92.6 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | trans | -72.5 | 97.9 | -177.6 | -10.2 | 24.8 | 0 | 0 | 0 | 110.8 | E234 I236 | P232-E234 PolarHBondContact O-N 3.31Å; P232-I236 WeakPolarHBondContact O-CG1 3.47Å | ||
| 233 | Q | 45.6 | Very low | 50.7 | Low | 74 Ų | 74 | 96.6 Ų | 96.6 | 35% | 0.346 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -67 | -26.8 | 176.6 | -70.2 | -173 | -85 | 0 | 0 | 112.5 | S134 T231 G235 I236 | S134-Q233 VanDerWaalsContact CB-OE1 3.32Å; S134-Q233 PolarHBondContact OG-OE1 3.42Å; T231-Q233 PolarHBondContact O-N 3.16Å; Q233-G235 VanDerWaalsContact C-N 3.27Å; Q233-G235 PolarHBondContact O-N 3.16Å; Q233-I236 PolarHBondContact O-N 2.86Å |
| 234 | E | 36.4 | Very low | 48.2 | Very low | 202 Ų | 202 | 94.9 Ų | 94.9 | 94% | 0.944 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -70 | -15.9 | -175.9 | -63.3 | -178.2 | 158.3 | 0 | 0 | 114.4 | P232 | P232-E234 PolarHBondContact O-N 3.31Š|
| 235 | G | 33.5 | Very low | 45.8 | Very low | 45 Ų | 45 | 95.8 Ų | 95.8 | 46% | 0.464 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -91.6 | -13.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q233 A238 | Q233-G235 VanDerWaalsContact C-N 3.27Å; Q233-G235 PolarHBondContact O-N 3.16Å; G235-A238 PolarHBondContact O-N 3.44Å |
| 236 | I | 42.4 | Very low | 43.4 | Very low | 32 Ų | 32 | 101.2 Ų | 101.2 | 16% | 0.164 | 57% | 0.565 | C | S | . | * | G | 310 helix | trans | -79 | -27.9 | -162.6 | -65.2 | 178.9 | 0 | 0 | 0 | 112.5 | V188 F189 P232 Q233 A238 A239 I245 | V188-I236 HydrophobicContact CG1-CD1 4.31Å; F189-I236 HydrophobicContact CD1-CG2 4.38Å; F189-I236 HydrophobicContact CE1-CG2 3.37Å; F189-I236 HydrophobicContact CZ-CG2 3.78Å; P232-I236 WeakPolarHBondContact O-CG1 3.47Å; Q233-I236 PolarHBondContact O-N 2.86Å; I236-A238 PolarHBondContact O-N 2.85Å; I236-A239 PolarHBondContact O-N 3.19Å; I236-I245 HydrophobicContact CD1-CD1 4.1Å; I236-I245 HydrophobicContact CG1-CD1 4.21Å |
| 237 | Q | 40.8 | Very low | 41.4 | Very low | 184 Ų | 184 | 99.2 Ų | 99.2 | 86% | 0.86 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -68.6 | -16.2 | 177.3 | -66 | -174.7 | 1.4 | 0 | 0 | 113.9 | ||
| 238 | A | 35.4 | Very low | 39.4 | Very low | 95 Ų | 95 | 102 Ų | 102 | 79% | 0.785 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -96.5 | -13.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | G235 I236 S240 | G235-A238 PolarHBondContact O-N 3.44Å; I236-A238 PolarHBondContact O-N 2.85Å; A238-S240 PolarHBondContact O-N 3.26Å; A238-S240 VanDerWaalsContact O-N 3.15Å |
| 239 | A | 32.9 | Very low | 38.2 | Very low | 58 Ų | 58 | 101.7 Ų | 101.7 | 48% | 0.479 | 58% | 0.578 | S | S | . | * | trans | -92.1 | 57.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113 | I236 R241 | I236-A239 PolarHBondContact O-N 3.19Å; A239-R241 PolarHBondContact O-N 3.31Å | ||
| 240 | S | 33.5 | Very low | 37.4 | Very low | 72 Ų | 72 | 103.2 Ų | 103.2 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | trans | -73 | 44.7 | 172.8 | -161.7 | 0 | 0 | 0 | 0 | 112.4 | A238 N891 | A238-S240 PolarHBondContact O-N 3.26Å; A238-S240 VanDerWaalsContact O-N 3.15Å; S240-N891 PolarHBondContact OG-OD1 3.18Å | ||
| 241 | R | 34.9 | Very low | 37.4 | Very low | 217 Ų | 217 | 102.4 Ų | 102.4 | 82% | 0.819 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -141.6 | 136.9 | 177.4 | -66.9 | -169 | -175 | -163.2 | 2.1 | 111 | A239 T243 | A239-R241 PolarHBondContact O-N 3.31Å; R241-T243 PolarHBondContact O-N 2.82Å |
| 242 | R | 36.9 | Very low | 37.8 | Very low | 225 Ų | 225 | 102.5 Ų | 102.5 | 85% | 0.849 | 58% | 0.576 | S | S | * | * | trans | -71.1 | 59 | -172.3 | -58.8 | 173.4 | 179.5 | 173.5 | -3 | 113.6 | D278 | R242-D278 IonicContact NH2-OD2 2.73Š| ||
| 243 | T | 33 | Very low | 38.7 | Very low | 108 Ų | 108 | 100.9 Ų | 100.9 | 66% | 0.663 | 57% | 0.566 | S | S | * | * | trans | -110.3 | 113 | 171.3 | 48.7 | 0 | 0 | 0 | 0 | 108.9 | R241 I245 | R241-T243 PolarHBondContact O-N 2.82Å; T243-I245 PolarHBondContact O-N 3.33Å | ||
| 244 | P | 35.9 | Very low | 39.4 | Very low | 90 Ų | 90 | 101.6 Ų | 101.6 | 58% | 0.584 | 58% | 0.579 | S | S | * | * | trans | -60.5 | 129 | 175.6 | 25.3 | -32.7 | 0 | 0 | 0 | 109.3 | N246 | P244-N246 PolarHBondContact O-N 3.01Š| ||
| 245 | I | 40.3 | Very low | 41.1 | Very low | 75 Ų | 75 | 93.5 Ų | 93.5 | 39% | 0.385 | 54% | 0.541 | S | S | . | . | trans | -67.5 | 123 | 170.5 | -62.9 | 175.1 | 0 | 0 | 0 | 106.2 | I236 T243 I247 | I236-I245 HydrophobicContact CD1-CD1 4.1Å; I236-I245 HydrophobicContact CG1-CD1 4.21Å; T243-I245 PolarHBondContact O-N 3.33Å; I245-I247 HydrophobicContact CG2-CG1 4.19Å; I245-I247 PolarHBondContact O-N 2.96Å | ||
| 246 | N | 35.2 | Very low | 43.1 | Very low | 157 Ų | 157 | 94.9 Ų | 94.9 | 84% | 0.84 | 54% | 0.542 | S | S | * | . | trans | -69.1 | 75.8 | 177.5 | -104.4 | -23.2 | 0 | 0 | 0 | 110.6 | P244 | P244-N246 PolarHBondContact O-N 3.01Š| ||
| 247 | I | 41.3 | Very low | 44.5 | Very low | 24 Ų | 24 | 99 Ų | 99 | 12% | 0.123 | 56% | 0.556 | C | S | . | * | trans | -73.8 | 125.7 | 165.7 | -56.4 | 173.5 | 0 | 0 | 0 | 106.6 | Q185 V188 T231 I245 S249 L252 | Q185-I247 HydrophobicContact CG-CB 4.49Å; Q185-I247 PolarHBondContact NE2-O 3.13Å; V188-I247 HydrophobicContact CG2-CD1 4.08Å; T231-I247 HydrophobicContact CG2-CD1 3.93Å; T231-I247 HydrophobicContact CG2-CG1 4.05Å; I245-I247 HydrophobicContact CG2-CG1 4.19Å; I245-I247 PolarHBondContact O-N 2.96Å; I247-S249 PolarHBondContact O-N 2.94Å; I247-L252 HydrophobicContact CB-CD1 4.23Å; I247-L252 HydrophobicContact CG2-CD1 3.79Å; I247-L252 HydrophobicContact CG2-CD2 4.27Å; I247-L252 HydrophobicContact CG2-CG 3.97Å | ||
| 248 | P | 33.5 | Very low | 46.3 | Very low | 82 Ų | 82 | 92.6 Ų | 92.6 | 53% | 0.532 | 54% | 0.54 | S | S | . | . | trans | -56.6 | 129.5 | 177.3 | -25.8 | 35.2 | 0 | 0 | 0 | 111.7 | S250 S251 | P248-S250 PolarHBondContact O-N 2.93Å; P248-S251 PolarHBondContact O-N 2.93Å; P248-S251 PolarHBondContact O-OG 2.6Å | ||
| 249 | S | 38.5 | Very low | 48.8 | Very low | 92 Ų | 92 | 88.2 Ų | 88.2 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -58.6 | -23.8 | -179.3 | 44 | 0 | 0 | 0 | 0 | 113.3 | I247 S251 | I247-S249 PolarHBondContact O-N 2.94Å; S249-S251 VanDerWaalsContact C-N 3.31Å; S249-S251 PolarHBondContact O-N 3.34Å |
| 250 | S | 36.9 | Very low | 51.5 | Low | 113 Ų | 113 | 86.3 Ų | 86.3 | 79% | 0.79 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -73.3 | -11.4 | 177.4 | 56.8 | 0 | 0 | 0 | 0 | 115.5 | P248 | P248-S250 PolarHBondContact O-N 2.93Š|
| 251 | S | 41.2 | Very low | 54.3 | Low | 74 Ų | 74 | 86 Ų | 86 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -109.2 | 11.8 | -178.4 | 64.4 | 0 | 0 | 0 | 0 | 114 | P248 S249 | P248-S251 PolarHBondContact O-N 2.93Å; P248-S251 PolarHBondContact O-OG 2.6Å; S249-S251 VanDerWaalsContact C-N 3.31Å; S249-S251 PolarHBondContact O-N 3.34Å |
| 252 | L | 50.9 | Low | 57 | Low | 41 Ų | 41 | 76 Ų | 76 | 22% | 0.215 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -104.5 | 124 | -174.2 | -78.9 | 149.2 | 0 | 0 | 0 | 110.8 | F184 Q185 I247 S254 | F184-L252 HydrophobicContact CB-CD2 4.42Å; Q185-L252 HydrophobicContact CB-CD1 3.77Å; Q185-L252 HydrophobicContact CG-CD1 3.64Å; I247-L252 HydrophobicContact CB-CD1 4.23Å; I247-L252 HydrophobicContact CG2-CD1 3.79Å; I247-L252 HydrophobicContact CG2-CD2 4.27Å; I247-L252 HydrophobicContact CG2-CG 3.97Å; L252-S254 PolarHBondContact O-N 3.09Å |
| 253 | P | 53.4 | Low | 59.8 | Low | 59 Ų | 59 | 65.3 Ų | 65.3 | 38% | 0.383 | 40% | 0.399 | S | S | . | . | trans | -76.4 | 95.1 | -171.1 | 28 | -32.5 | 0 | 0 | 0 | 112.1 | N181 F255 | N181-P253 HydrophobicContact CB-CG 3.73Å; P253-F255 PolarHBondContact O-N 3.2Å | ||
| 254 | S | 59.7 | Low | 62.7 | Low | 89 Ų | 89 | 60.2 Ų | 60.2 | 62% | 0.622 | 37% | 0.368 | S | S | * | . | trans | -77.5 | 115.7 | 162.9 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | L252 | L252-S254 PolarHBondContact O-N 3.09Š| ||
| 255 | F | 73.5 | Confident | 65.4 | Low | 32 Ų | 32 | 56 Ų | 56 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | trans | -82.7 | 148.4 | 168.7 | 46.4 | -93.8 | 0 | 0 | 0 | 110.4 | F217 L222 P253 Y257 A259 A260 R675 | F217-F255 HydrophobicContact CE1-CD1 4.07Å; F217-F255 HydrophobicContact CE1-CD2 4.1Å; F217-F255 AromaticContact CE1-CE1 3.86Å; F217-F255 HydrophobicContact CE1-CE1 3.86Å; F217-F255 AromaticContact CE1-CE2 3.88Å; F217-F255 HydrophobicContact CE1-CE2 3.88Å; F217-F255 HydrophobicContact CE1-CG 4.19Å; F217-F255 AromaticContact CE1-CZ 3.77Å; F217-F255 HydrophobicContact CE1-CZ 3.77Å; F217-F255 HydrophobicContact CZ-CE1 4.35Å; F217-F255 HydrophobicContact CZ-CZ 4.29Å; L222-F255 HydrophobicContact CD2-CB 3.64Å; L222-F255 HydrophobicContact CD2-CG 4.42Å; P253-F255 PolarHBondContact O-N 3.2Å; F255-Y257 PolarHBondContact O-N 2.9Å; F255-A259 HydrophobicContact CB-CB 4.36Å; F255-A259 HydrophobicContact CD2-CB 4.35Å; F255-A260 HydrophobicContact CD2-CB 4.14Å; F255-A260 HydrophobicContact CE2-CB 3.66Å; F255-A260 HydrophobicContact CZ-CB 4.49Å; F255-R675 PolarHBondContact O-NH2 2.88Å | ||
| 256 | P | 76.2 | Confident | 67.8 | Low | 73 Ų | 73 | 52.4 Ų | 52.4 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | trans | -51.4 | 143.2 | -176 | -27.3 | 33.9 | 0 | 0 | 0 | 112.9 | G258 A259 | P256-G258 PolarHBondContact O-N 2.85Å; P256-A259 HydrophobicContact CB-CB 4.19Å; P256-A259 HydrophobicContact CG-CB 4.47Å; P256-A259 WeakPolarHBondContact O-CB 3.24Å; P256-A259 PolarHBondContact O-N 2.96Å | ||
| 257 | Y | 71.1 | Confident | 70.4 | Confident | 118 Ų | 118 | 45.6 Ų | 45.6 | 46% | 0.463 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -48.7 | -42.6 | -175.2 | -173.4 | -95.5 | 0 | 0 | 0 | 113.4 | F255 A259 D671 E674 R675 | F255-Y257 PolarHBondContact O-N 2.9Å; Y257-A259 PolarHBondContact O-N 2.87Å; Y257-D671 HydrophobicContact CD2-CB 4.47Å; Y257-E674 HydrophobicContact CE2-CB 4.31Å; Y257-E674 HydrophobicContact CE2-CG 4.44Å; Y257-E674 WeakPolarHBondContact OH-CG 3.13Å; Y257-R675 HydrophobicContact CE2-CG 4.49Å |
| 258 | G | 78.3 | Confident | 72.7 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 53% | 0.526 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -88.5 | 17 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | K221 P256 | K221-G258 WeakPolarHBondContact CD-O 3.41Å; K221-G258 PolarHBondContact NZ-O 3.02Å; P256-G258 PolarHBondContact O-N 2.85Å |
| 259 | A | 87 | Confident | 75.2 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -86.1 | -22.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F217 D218 K221 L222 F255 P256 Y257 | F217-A259 WeakPolarHBondContact CA-O 3.35Å; D218-A259 PolarHBondContact N-O 3.17Å; K221-A259 HydrophobicContact CB-CB 3.83Å; K221-A259 HydrophobicContact CD-CB 4.3Å; L222-A259 HydrophobicContact CD2-CB 4.09Å; F255-A259 HydrophobicContact CB-CB 4.36Å; F255-A259 HydrophobicContact CD2-CB 4.35Å; P256-A259 HydrophobicContact CB-CB 4.19Å; P256-A259 HydrophobicContact CG-CB 4.47Å; P256-A259 WeakPolarHBondContact O-CB 3.24Å; P256-A259 PolarHBondContact O-N 2.96Å; Y257-A259 PolarHBondContact O-N 2.87Å |
| 260 | A | 90.7 | Very high | 77.1 | Confident | 18 Ų | 18 | 36.4 Ų | 36.4 | 15% | 0.149 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M216 F217 F255 Y262 | M216-A260 CarbonylContact O-C 3.59Å; M216-A260 VanDerWaalsContact O-CA 3.3Å; M216-A260 WeakPolarHBondContact O-CA 3.41Å; F217-A260 HydrophobicContact CD1-CB 3.68Å; F217-A260 HydrophobicContact CE1-CB 3.7Å; F217-A260 HydrophobicContact CG-CB 4.43Å; F217-A260 HydrophobicContact CZ-CB 4.47Å; F255-A260 HydrophobicContact CD2-CB 4.14Å; F255-A260 HydrophobicContact CE2-CB 3.66Å; F255-A260 HydrophobicContact CZ-CB 4.49Å; A260-Y262 HydrophobicContact CB-CD2 4.23Å; A260-Y262 HydrophobicContact CB-CE2 3.8Å |
| 261 | K | 91.6 | Very high | 79.1 | Confident | 66 Ų | 66 | 33.2 Ų | 33.2 | 29% | 0.287 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.7 | 171.3 | -159.9 | -172.1 | -163.7 | -139.5 | 0 | 107.8 | M216 F263 L310 I680 | M216-K261 HydrophobicContact CE-CB 4.24Å; M216-K261 HydrophobicContact CE-CD 4.02Å; M216-K261 PolarHBondContact N-O 3.34Å; M216-K261 PolarHBondContact O-N 3.26Å; K261-F263 HydrophobicContact CB-CE2 4.32Å; K261-F263 HydrophobicContact CD-CE2 4.26Å; K261-F263 HydrophobicContact CD-CZ 3.78Å; K261-F263 HydrophobicContact CG-CE2 4.35Å; K261-F263 HydrophobicContact CG-CZ 4.29Å; K261-L310 PolarHBondContact NZ-O 3.44Å; K261-I680 HydrophobicContact CD-CD1 4.15Å; K261-I680 HydrophobicContact CG-CD1 4.38Å |
| 262 | Y | 93 | Very high | 80.6 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 3% | 0.027 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 145.9 | -174.4 | -79.1 | -144 | 0 | 0 | 0 | 109.9 | F213 V214 R215 A260 E672 R675 R676 A679 I680 | F213-Y262 AromaticContact CD1-CD1 3.97Å; F213-Y262 HydrophobicContact CD1-CD1 3.97Å; V214-Y262 WeakPolarHBondContact O-CA 3.11Å; R215-Y262 HydrophobicContact CB-CE2 4.26Å; R215-Y262 HydrophobicContact CG-CD1 4.36Å; R215-Y262 HydrophobicContact CG-CD2 4.13Å; R215-Y262 HydrophobicContact CG-CE1 4.07Å; R215-Y262 HydrophobicContact CG-CE2 3.78Å; R215-Y262 HydrophobicContact CG-CG 4.4Å; R215-Y262 VanDerWaalsContact NE-CZ 3.34Å; R215-Y262 PolarHBondContact NE-OH 2.88Å; R215-Y262 VanDerWaalsContact NE-OH 3.08Å; A260-Y262 HydrophobicContact CB-CD2 4.23Å; A260-Y262 HydrophobicContact CB-CE2 3.8Å; Y262-E672 WeakPolarHBondContact CE1-OE2 3.44Å; Y262-E672 VanDerWaalsContact CZ-OE2 3.25Å; Y262-E672 PolarHBondContact OH-OE1 2.89Å; Y262-E672 PolarHBondContact OH-OE2 2.99Å; Y262-R675 HydrophobicContact CD1-CB 4.29Å; Y262-R675 HydrophobicContact CD2-CB 4.23Å; Y262-R675 HydrophobicContact CE1-CB 4.2Å; Y262-R675 HydrophobicContact CE2-CB 4.19Å; Y262-R675 HydrophobicContact CG-CB 4.31Å; Y262-R676 HydrophobicContact CD1-CG 3.96Å; Y262-R676 HydrophobicContact CE1-CG 3.92Å; Y262-A679 CarbonylContact O-C 3.54Å; Y262-A679 WeakPolarHBondContact O-CA 3.12Å; Y262-I680 PolarHBondContact O-N 2.99Å |
| 263 | F | 94.8 | Very high | 81.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134.7 | 176.9 | -58.9 | -92.9 | 0 | 0 | 0 | 109 | F213 V214 M216 K261 L296 F308 L310 I680 | F213-F263 WeakPolarHBondContact CA-O 3.32Å; V214-F263 HydrophobicContact CB-CB 4.31Å; V214-F263 PolarHBondContact N-O 3.36Å; V214-F263 PolarHBondContact O-N 3.43Å; M216-F263 HydrophobicContact CB-CD2 4.47Å; M216-F263 HydrophobicContact CB-CE2 3.79Å; M216-F263 HydrophobicContact CE-CE2 4.14Å; M216-F263 HydrophobicContact CE-CZ 4.16Å; M216-F263 HydrophobicContact SD-CE2 4.45Å; K261-F263 HydrophobicContact CB-CE2 4.32Å; K261-F263 HydrophobicContact CD-CE2 4.26Å; K261-F263 HydrophobicContact CD-CZ 3.78Å; K261-F263 HydrophobicContact CG-CE2 4.35Å; K261-F263 HydrophobicContact CG-CZ 4.29Å; F263-L296 HydrophobicContact CD2-CD2 4.26Å; F263-L296 HydrophobicContact CE2-CD2 4.34Å; F263-F308 HydrophobicContact CB-CD1 3.78Å; F263-F308 HydrophobicContact CB-CD2 4.28Å; F263-F308 HydrophobicContact CB-CE1 3.81Å; F263-F308 HydrophobicContact CB-CE2 4.3Å; F263-F308 HydrophobicContact CB-CG 4.03Å; F263-F308 HydrophobicContact CB-CZ 4.08Å; F263-F308 HydrophobicContact CD1-CB 3.74Å; F263-F308 AromaticContact CD1-CD1 3.75Å; F263-F308 HydrophobicContact CD1-CD1 3.75Å; F263-F308 AromaticContact CD1-CG 3.85Å; F263-F308 HydrophobicContact CD1-CG 3.85Å; F263-F308 HydrophobicContact CE1-CB 4.13Å; F263-F308 HydrophobicContact CG-CB 4.45Å; F263-F308 HydrophobicContact CG-CD1 4.21Å; F263-F308 HydrophobicContact CG-CG 4.24Å; F263-L310 HydrophobicContact CE1-CD2 3.92Å; F263-L310 HydrophobicContact CE2-CD2 4.09Å; F263-L310 HydrophobicContact CZ-CD2 3.39Å; F263-I680 WeakPolarHBondContact CA-O 3.31Å; F263-I680 HydrophobicContact CD1-CB 3.82Å; F263-I680 HydrophobicContact CD1-CG2 3.93Å; F263-I680 HydrophobicContact CE1-CB 4.14Å; F263-I680 HydrophobicContact CE1-CD1 4.4Å; F263-I680 HydrophobicContact CE1-CG2 4.1Å |
| 264 | V | 93.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -158.3 | 141.1 | -180 | 70.5 | 0 | 0 | 0 | 0 | 110.3 | P212 F213 S266 P269 L659 A679 I680 | P212-V264 HydrophobicContact CB-CG2 4.16Å; P212-V264 HydrophobicContact CG-CG2 4.28Å; F213-V264 HydrophobicContact CD1-CB 3.68Å; F213-V264 HydrophobicContact CD1-CG1 4.05Å; F213-V264 HydrophobicContact CD1-CG2 4.01Å; F213-V264 HydrophobicContact CE1-CB 3.81Å; F213-V264 HydrophobicContact CE1-CG1 3.69Å; F213-V264 HydrophobicContact CE1-CG2 4.03Å; F213-V264 HydrophobicContact CG-CB 4.33Å; F213-V264 HydrophobicContact CG-CG2 4.28Å; F213-V264 HydrophobicContact CZ-CG1 4.42Å; F213-V264 HydrophobicContact CZ-CG2 4.3Å; V264-S266 PolarHBondContact O-N 3.03Å; V264-P269 HydrophobicContact CG2-CG 3.68Å; V264-L659 HydrophobicContact CG1-CD1 4.18Å; V264-L659 HydrophobicContact CG1-CD2 4.37Å; V264-A679 HydrophobicContact CB-CB 4.44Å; V264-A679 HydrophobicContact CG1-CB 3.65Å; V264-I680 PolarHBondContact N-O 3.25Å | ||
| 265 | P | 93.1 | Very high | 81.7 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | trans | -69.1 | 114.2 | 164.4 | -13.4 | 29.3 | 0 | 0 | 0 | 109.2 | H267 L268 P269 Y306 F308 F682 | P265-H267 PolarHBondContact O-N 3.43Å; P265-L268 HydrophobicContact CB-CD1 4Å; P265-L268 HydrophobicContact CB-CG 4.06Å; P265-L268 HydrophobicContact CG-CD1 3.75Å; P265-L268 HydrophobicContact CG-CG 4.36Å; P265-L268 PolarHBondContact O-N 2.93Å; P265-P269 WeakPolarHBondContact O-CD 3.4Å; P265-Y306 HydrophobicContact CB-CD1 4.09Å; P265-Y306 HydrophobicContact CB-CE1 3.7Å; P265-Y306 HydrophobicContact CB-CE2 4.2Å; P265-Y306 HydrophobicContact CB-CG 4.48Å; P265-Y306 HydrophobicContact CG-CD1 3.77Å; P265-Y306 HydrophobicContact CG-CD2 3.53Å; P265-Y306 HydrophobicContact CG-CE1 3.71Å; P265-Y306 HydrophobicContact CG-CE2 3.45Å; P265-Y306 VanDerWaalsContact CG-CE2 3.45Å; P265-Y306 HydrophobicContact CG-CG 3.66Å; P265-F308 HydrophobicContact CG-CZ 4.39Å; P265-F682 HydrophobicContact CB-CD1 3.69Å; P265-F682 HydrophobicContact CB-CE1 3.88Å; P265-F682 HydrophobicContact CG-CD1 4.32Å | ||
| 266 | S | 89.9 | Confident | 80.5 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -13.7 | -161.5 | -56.8 | 0 | 0 | 0 | 0 | 116 | V264 P316 Y430 D681 | V264-S266 PolarHBondContact O-N 3.03Å; S266-P316 VanDerWaalsContact OG-CB 3.22Å; S266-P316 WeakPolarHBondContact OG-CB 3.29Å; S266-Y430 WeakPolarHBondContact CB-OH 3.38Å; S266-Y430 PolarHBondContact OG-OH 3.09Å; S266-D681 WeakPolarHBondContact CB-OD1 3.36Å; S266-D681 PolarHBondContact N-OD1 3.35Å; S266-D681 PolarHBondContact OG-OD1 3.26Å |
| 267 | H | 89.3 | Confident | 79 | Confident | 14 Ų | 14 | 37 Ų | 37 | 7% | 0.065 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -25.6 | 177.5 | 60.1 | -78 | 0 | 0 | 0 | 114 | P265 G270 K271 Y430 L484 W486 | P265-H267 PolarHBondContact O-N 3.43Å; H267-G270 PolarHBondContact O-N 3.07Å; H267-K271 PolarHBondContact O-N 3.37Å; H267-Y430 HydrophobicContact CB-CD2 4.02Å; H267-Y430 HydrophobicContact CB-CG 3.92Å; H267-Y430 AromaticContact CE1-CD1 3.81Å; H267-Y430 AromaticContact CG-CG 3.79Å; H267-Y430 AromaticContact ND1-CD1 3.16Å; H267-Y430 WeakPolarHBondContact ND1-CD1 3.44Å; H267-Y430 AromaticContact ND1-CE1 3.92Å; H267-Y430 AromaticContact ND1-CG 3.32Å; H267-Y430 VanDerWaalsContact ND1-CG 3.32Å; H267-L484 HydrophobicContact CB-CD2 4.1Å; H267-W486 HydrophobicContact CB-CZ2 4.38Å |
| 268 | L | 90.1 | Very high | 77.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.2 | -43.2 | -174.3 | -55.1 | -178.4 | 0 | 0 | 0 | 113.8 | P212 P265 G270 K271 I272 F282 V300 D303 Y306 | P212-L268 HydrophobicContact CB-CB 3.92Å; P212-L268 HydrophobicContact CB-CD1 3.91Å; P212-L268 HydrophobicContact CG-CB 4.22Å; P265-L268 HydrophobicContact CB-CD1 4Å; P265-L268 HydrophobicContact CB-CG 4.06Å; P265-L268 HydrophobicContact CG-CD1 3.75Å; P265-L268 HydrophobicContact CG-CG 4.36Å; P265-L268 PolarHBondContact O-N 2.93Å; L268-G270 PolarHBondContact O-N 3.07Å; L268-K271 PolarHBondContact O-N 3.33Å; L268-I272 PolarHBondContact O-N 3.31Å; L268-F282 HydrophobicContact CB-CD2 4.38Å; L268-F282 HydrophobicContact CB-CE2 4.27Å; L268-F282 HydrophobicContact CB-CZ 4.48Å; L268-F282 HydrophobicContact CD1-CD1 4.39Å; L268-F282 HydrophobicContact CD2-CD1 4.41Å; L268-F282 HydrophobicContact CD2-CE1 3.85Å; L268-F282 HydrophobicContact CD2-CZ 3.93Å; L268-V300 HydrophobicContact CD1-CG1 3.99Å; L268-D303 HydrophobicContact CD2-CB 4.39Å; L268-D303 VanDerWaalsContact CD2-OD2 3.28Å; L268-D303 WeakPolarHBondContact CD2-OD2 3.46Å; L268-Y306 HydrophobicContact CD1-CE2 4.34Å |
| 269 | P | 85.8 | Confident | 76.1 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.7 | -21.8 | 178.4 | -25.3 | 38.4 | 0 | 0 | 0 | 113.8 | P212 F213 V264 P265 L659 | P212-P269 HydrophobicContact CG-CG 4.29Å; F213-P269 HydrophobicContact CE2-CB 4.47Å; F213-P269 HydrophobicContact CE2-CG 4.01Å; F213-P269 HydrophobicContact CZ-CB 4.36Å; F213-P269 HydrophobicContact CZ-CG 3.81Å; V264-P269 HydrophobicContact CG2-CG 3.68Å; P265-P269 WeakPolarHBondContact O-CD 3.4Å; P269-L659 HydrophobicContact CB-CD1 4.04Å; P269-L659 HydrophobicContact CG-CD1 3.78Å |
| 270 | G | 78.9 | Confident | 74.5 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.1 | -46.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H267 L268 I272 L273 T274 A657 | H267-G270 PolarHBondContact O-N 3.07Å; L268-G270 PolarHBondContact O-N 3.07Å; G270-I272 VanDerWaalsContact C-N 3.29Å; G270-I272 PolarHBondContact O-N 3.12Å; G270-L273 PolarHBondContact O-N 3.21Å; G270-T274 PolarHBondContact O-N 3.38Å; G270-T274 VanDerWaalsContact O-N 3.14Å; G270-T274 PolarHBondContact O-OG1 2.82Å; G270-A657 WeakPolarHBondContact CA-O 3.33Å |
| 271 | K | 79.1 | Confident | 73.4 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.2 | -37.3 | -177 | -170 | 166.2 | 165.6 | -173.1 | 0 | 113 | H267 L268 L273 T274 D275 F282 | H267-K271 PolarHBondContact O-N 3.37Å; L268-K271 PolarHBondContact O-N 3.33Å; K271-L273 PolarHBondContact O-N 2.97Å; K271-T274 WeakPolarHBondContact CA-OG1 3.29Å; K271-T274 PolarHBondContact O-N 3.37Å; K271-T274 PolarHBondContact O-OG1 2.65Å; K271-D275 WeakPolarHBondContact CE-OD2 3.49Å; K271-D275 WeakPolarHBondContact CG-OD2 3.19Å; K271-D275 WeakPolarHBondContact O-CB 3.41Å; K271-D275 PolarHBondContact O-N 2.93Å; K271-D275 VanDerWaalsContact O-N 3.15Å; K271-F282 HydrophobicContact CB-CE2 4.35Å; K271-F282 HydrophobicContact CB-CZ 4.35Å; K271-F282 HydrophobicContact CD-CZ 4Å; K271-F282 HydrophobicContact CG-CZ 4.27Å |
| 272 | I | 72.9 | Confident | 73.1 | Confident | 77 Ų | 77 | 42.2 Ų | 42.2 | 40% | 0.395 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -55.7 | -34.6 | 173.3 | -58.6 | 172.9 | 0 | 0 | 0 | 112 | P212 L268 G270 F282 | P212-I272 HydrophobicContact CG-CD1 4.09Å; L268-I272 PolarHBondContact O-N 3.31Å; G270-I272 VanDerWaalsContact C-N 3.29Å; G270-I272 PolarHBondContact O-N 3.12Å; I272-F282 HydrophobicContact CD1-CD2 4.01Å; I272-F282 HydrophobicContact CG1-CD2 3.72Å; I272-F282 HydrophobicContact CG1-CE2 3.76Å |
| 273 | L | 67.6 | Low | 73 | Confident | 72 Ų | 72 | 42.6 Ų | 42.6 | 38% | 0.377 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -92.6 | -24.4 | -177.4 | -63 | 179 | 0 | 0 | 0 | 113.9 | G270 K271 R665 | G270-L273 PolarHBondContact O-N 3.21Å; K271-L273 PolarHBondContact O-N 2.97Å; L273-R665 HydrophobicContact CD1-CB 4.17Å |
| 274 | T | 60.1 | Low | 73 | Confident | 56 Ų | 56 | 42.6 Ų | 42.6 | 34% | 0.344 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -82.6 | -38.4 | -179.5 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | G270 K271 G276 D485 A657 | G270-T274 PolarHBondContact O-N 3.38Å; G270-T274 VanDerWaalsContact O-N 3.14Å; G270-T274 PolarHBondContact O-OG1 2.82Å; K271-T274 WeakPolarHBondContact CA-OG1 3.29Å; K271-T274 PolarHBondContact O-N 3.37Å; K271-T274 PolarHBondContact O-OG1 2.65Å; T274-G276 PolarHBondContact O-N 3.04Å; T274-D485 HydrophobicContact CG2-CB 4.24Å; T274-A657 HydrophobicContact CG2-CB 3.6Å |
| 275 | D | 58.5 | Low | 73.1 | Confident | 61 Ų | 61 | 43 Ų | 43 | 33% | 0.326 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -82.2 | -3.5 | -164.2 | -65.6 | 15.7 | 0 | 0 | 0 | 112.7 | K271 L277 | K271-D275 WeakPolarHBondContact CE-OD2 3.49Å; K271-D275 WeakPolarHBondContact CG-OD2 3.19Å; K271-D275 WeakPolarHBondContact O-CB 3.41Å; K271-D275 PolarHBondContact O-N 2.93Å; K271-D275 VanDerWaalsContact O-N 3.15Å; D275-L277 PolarHBondContact O-N 3.39Å |
| 276 | G | 49.7 | Very low | 73.3 | Confident | 74 Ų | 74 | 43 Ų | 43 | 76% | 0.763 | 25% | 0.25 | S | C | * | . | trans | 66.5 | 4.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | T274 | T274-G276 PolarHBondContact O-N 3.04Š| ||
| 277 | L | 43.2 | Very low | 73.7 | Confident | 108 Ų | 108 | 43.3 Ų | 43.3 | 57% | 0.565 | 25% | 0.251 | S | S | * | . | trans | -114.1 | 123 | -177.9 | -82.9 | 143.4 | 0 | 0 | 0 | 109.4 | D275 N279 Q280 | D275-L277 PolarHBondContact O-N 3.39Å; L277-N279 PolarHBondContact O-N 2.67Å; L277-Q280 PolarHBondContact O-N 2.77Å | ||
| 278 | D | 44.1 | Very low | 74 | Confident | 136 Ų | 136 | 43.8 Ų | 43.8 | 73% | 0.727 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 1.7 | 172.3 | -66.6 | -43.1 | 0 | 0 | 0 | 113 | R242 | R242-D278 IonicContact NH2-OD2 2.73Š|
| 279 | N | 44.8 | Very low | 74.3 | Confident | 86 Ų | 86 | 44.6 Ų | 44.6 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 6.8 | -172.2 | -62.2 | -3 | 0 | 0 | 0 | 114.8 | L277 R302 | L277-N279 PolarHBondContact O-N 2.67Å; N279-R302 PolarHBondContact O-NH1 3.06Å |
| 280 | Q | 53.7 | Low | 74.7 | Confident | 46 Ų | 46 | 44.7 Ų | 44.7 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | trans | -111.3 | 72.8 | 176.2 | -67 | -152.1 | 28.1 | 0 | 0 | 113.1 | L277 | L277-Q280 PolarHBondContact O-N 2.77Š| ||
| 281 | T | 68.6 | Low | 75.1 | Confident | 95 Ų | 95 | 48.8 Ų | 48.8 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | trans | -85.9 | 116.4 | 171.2 | 54.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 282 | F | 84.7 | Confident | 75.5 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.013 | 30% | 0.295 | C | S | . | . | trans | -74.1 | 135.9 | 164.5 | -61.8 | -79.4 | 0 | 0 | 0 | 109.7 | N210 E211 P212 L268 K271 I272 V300 D303 | N210-F282 CarbonylContact C-O 3.53Å; E211-F282 CarbonylContact C-O 3.57Å; E211-F282 WeakPolarHBondContact CA-O 3.44Å; E211-F282 PolarHBondContact N-O 2.96Å; P212-F282 HydrophobicContact CB-CB 3.97Å; P212-F282 HydrophobicContact CB-CG 4.41Å; P212-F282 HydrophobicContact CG-CB 4.43Å; L268-F282 HydrophobicContact CB-CD2 4.38Å; L268-F282 HydrophobicContact CB-CE2 4.27Å; L268-F282 HydrophobicContact CB-CZ 4.48Å; L268-F282 HydrophobicContact CD1-CD1 4.39Å; L268-F282 HydrophobicContact CD2-CD1 4.41Å; L268-F282 HydrophobicContact CD2-CE1 3.85Å; L268-F282 HydrophobicContact CD2-CZ 3.93Å; K271-F282 HydrophobicContact CB-CE2 4.35Å; K271-F282 HydrophobicContact CB-CZ 4.35Å; K271-F282 HydrophobicContact CD-CZ 4Å; K271-F282 HydrophobicContact CG-CZ 4.27Å; I272-F282 HydrophobicContact CD1-CD2 4.01Å; I272-F282 HydrophobicContact CG1-CD2 3.72Å; I272-F282 HydrophobicContact CG1-CE2 3.76Å; F282-V300 HydrophobicContact CB-CG1 4.15Å; F282-V300 HydrophobicContact CD1-CG1 4.21Å; F282-D303 HydrophobicContact CD1-CB 4.31Å; F282-D303 HydrophobicContact CE1-CB 4.13Å | ||
| 283 | S | 90.3 | Very high | 76.4 | Confident | 15 Ų | 15 | 46 Ų | 46 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | trans | -131.7 | 121.8 | 179.3 | -179 | 0 | 0 | 0 | 0 | 110.2 | G209 T285 G301 | G209-S283 CarbonylContact O-C 3.59Å; G209-S283 WeakPolarHBondContact O-CA 2.9Å; S283-T285 PolarHBondContact O-N 2.75Å; S283-T285 VanDerWaalsContact O-N 3.15Å; S283-G301 WeakPolarHBondContact O-CA 3.45Å; S283-G301 PolarHBondContact O-N 2.84Å | ||
| 284 | V | 95.6 | Very high | 77.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 106.7 | 171.4 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | K193 C194 G209 E211 V214 V287 A298 N299 V300 | K193-V284 WeakPolarHBondContact CB-O 3.46Å; C194-V284 PolarHBondContact SG-O 3.31Å; G209-V284 PolarHBondContact O-N 2.77Å; E211-V284 WeakPolarHBondContact O-CG2 3.4Å; V214-V284 HydrophobicContact CG2-CG1 4Å; V214-V284 HydrophobicContact CG2-CG2 3.95Å; V284-V287 HydrophobicContact CG1-CG1 3.73Å; V284-A298 HydrophobicContact CG1-CB 4.31Å; V284-N299 CarbonylContact C-O 3.57Å; V284-N299 WeakPolarHBondContact CA-O 3.34Å; V284-V300 HydrophobicContact CG2-CG2 4.37Å |
| 285 | T | 95.4 | Very high | 79.3 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -24.4 | -175.1 | 63.7 | 0 | 0 | 0 | 0 | 112.7 | S283 N299 N691 D695 K697 | S283-T285 PolarHBondContact O-N 2.75Å; S283-T285 VanDerWaalsContact O-N 3.15Å; T285-N299 PolarHBondContact N-O 2.88Å; T285-N299 PolarHBondContact OG1-ND2 3.43Å; T285-N691 WeakPolarHBondContact CG2-ND2 3.35Å; T285-N691 PolarHBondContact OG1-ND2 3.03Å; T285-D695 WeakPolarHBondContact CB-O 3.49Å; T285-D695 HydrophobicContact CG2-CB 4.49Å; T285-D695 WeakPolarHBondContact CG2-O 3.44Å; T285-K697 PolarHBondContact OG1-O 3.3Å |
| 286 | S | 97 | Very high | 81.1 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.014 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 145.3 | 179 | -176.3 | 0 | 0 | 0 | 0 | 111.5 | A298 N299 K697 | S286-A298 WeakPolarHBondContact O-CA 3.22Å; S286-N299 PolarHBondContact O-N 3.19Å; S286-K697 VanDerWaalsContact CB-O 3.3Å; S286-K697 WeakPolarHBondContact CB-O 3.3Å |
| 287 | V | 97.8 | Very high | 83.4 | Confident | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 140 | 169.1 | -69.5 | 0 | 0 | 0 | 0 | 109.2 | C194 A196 A206 V214 V284 L296 L297 A298 | C194-V287 HydrophobicContact CB-CG2 4.21Å; A196-V287 HydrophobicContact CB-CG2 3.85Å; A206-V287 HydrophobicContact CB-CG2 4.38Å; V214-V287 HydrophobicContact CG1-CG1 3.81Å; V214-V287 HydrophobicContact CG2-CG1 4.1Å; V284-V287 HydrophobicContact CG1-CG1 3.73Å; V287-L296 HydrophobicContact CB-CD1 4.16Å; V287-L297 CarbonylContact C-O 3.58Å; V287-L297 VanDerWaalsContact CA-O 3.28Å; V287-L297 WeakPolarHBondContact CA-O 3.46Å; V287-A298 HydrophobicContact CG1-CB 4.21Å |
| 288 | S | 96.9 | Very high | 86 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 18% | 0.175 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 139.8 | 178.7 | -169.7 | 0 | 0 | 0 | 0 | 110.3 | L296 L297 | S288-L296 WeakPolarHBondContact O-CA 3.39Å; S288-L297 PolarHBondContact N-O 3.12Å; S288-L297 PolarHBondContact O-N 3.39Å |
| 289 | F | 95.7 | Very high | 88.5 | Confident | 17 Ų | 17 | 26 Ų | 26 | 8% | 0.075 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 152.6 | 173.3 | -72.5 | -82.9 | 0 | 0 | 0 | 110.5 | A196 V197 N198 P199 A206 M216 E295 L296 L310 F701 | A196-F289 HydrophobicContact CB-CD2 3.94Å; A196-F289 HydrophobicContact CB-CE2 3.99Å; V197-F289 WeakPolarHBondContact O-CD2 3.32Å; N198-F289 HydrophobicContact CB-CD1 4.18Å; N198-F289 HydrophobicContact CB-CD2 4.2Å; N198-F289 HydrophobicContact CB-CE1 4.02Å; N198-F289 HydrophobicContact CB-CE2 4.03Å; N198-F289 HydrophobicContact CB-CG 4.27Å; N198-F289 HydrophobicContact CB-CZ 3.93Å; N198-F289 WeakPolarHBondContact ND2-CD1 3.31Å; P199-F289 HydrophobicContact CG-CB 4.48Å; A206-F289 HydrophobicContact CB-CE2 3.85Å; A206-F289 HydrophobicContact CB-CZ 3.66Å; M216-F289 HydrophobicContact SD-CE1 4.17Å; M216-F289 HydrophobicContact SD-CZ 4.28Å; F289-E295 WeakPolarHBondContact CA-O 3.33Å; F289-E295 WeakPolarHBondContact CD1-O 3.41Å; F289-L296 HydrophobicContact CD1-CB 4.39Å; F289-L296 HydrophobicContact CD1-CD1 4.11Å; F289-L296 HydrophobicContact CD2-CD1 4.45Å; F289-L296 HydrophobicContact CE1-CB 4.37Å; F289-L296 HydrophobicContact CE1-CD1 4Å; F289-L296 HydrophobicContact CE2-CD1 4.35Å; F289-L296 HydrophobicContact CG-CD1 4.35Å; F289-L296 HydrophobicContact CZ-CD1 4.13Å; F289-L310 HydrophobicContact CD1-CD1 3.93Å; F289-L310 HydrophobicContact CE1-CD1 3.69Å; F289-F701 VanDerWaalsContact C-CE2 3.41Å; F289-F701 WeakPolarHBondContact O-CD2 3.39Å |
| 290 | S | 93.5 | Very high | 90.9 | Very high | 6 Ų | 6 | 22 Ų | 22 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | trans | -64.5 | 159.8 | 163.7 | 53.1 | 0 | 0 | 0 | 0 | 110.7 | P199 D292 G293 E294 E295 F701 | P199-S290 WeakPolarHBondContact CG-O 3.34Å; S290-D292 VanDerWaalsContact CB-OD1 3.28Å; S290-D292 WeakPolarHBondContact CB-OD1 3.45Å; S290-D292 PolarHBondContact O-N 2.98Å; S290-D292 PolarHBondContact OG-OD1 2.72Å; S290-G293 WeakPolarHBondContact O-CA 3.14Å; S290-G293 PolarHBondContact O-N 2.94Å; S290-E294 PolarHBondContact OG-N 3.13Å; S290-E295 PolarHBondContact N-O 3.39Å; S290-E295 WeakPolarHBondContact OG-CB 3.35Å; S290-E295 PolarHBondContact OG-N 3.42Å; S290-E295 PolarHBondContact OG-O 2.89Å; S290-F701 VanDerWaalsContact N-CE2 3.31Å | ||
| 291 | S | 87.7 | Confident | 92.5 | Very high | 87 Ų | 87 | 20 Ų | 20 | 61% | 0.608 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.1 | -179.2 | 49.9 | 0 | 0 | 0 | 0 | 113.8 | G293 | S291-G293 VanDerWaalsContact C-N 3.32Š|
| 292 | D | 88.1 | Confident | 93.2 | Very high | 62 Ų | 62 | 17.4 Ų | 17.4 | 33% | 0.332 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -6.6 | 171 | 58.2 | 22.7 | 0 | 0 | 0 | 113.8 | L200 S290 E294 | L200-D292 WeakPolarHBondContact CD1-O 3.14Å; S290-D292 VanDerWaalsContact CB-OD1 3.28Å; S290-D292 WeakPolarHBondContact CB-OD1 3.45Å; S290-D292 PolarHBondContact O-N 2.98Å; S290-D292 PolarHBondContact OG-OD1 2.72Å; D292-E294 HydrophobicContact CB-CG 4.3Å; D292-E294 PolarHBondContact O-N 3.25Å; D292-E294 PolarHBondContact OD1-N 2.99Å |
| 293 | G | 91.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 60.1 | 21.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N198 S290 S291 L310 | N198-G293 WeakPolarHBondContact ND2-CA 3.38Å; N198-G293 PolarHBondContact ND2-O 3.12Å; S290-G293 WeakPolarHBondContact O-CA 3.14Å; S290-G293 PolarHBondContact O-N 2.94Å; S291-G293 VanDerWaalsContact C-N 3.32Å; G293-L310 WeakPolarHBondContact O-CD1 3.46Å |
| 294 | E | 93.4 | Very high | 93.7 | Very high | 68 Ų | 68 | 16.7 Ų | 16.7 | 32% | 0.318 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -90 | -16.2 | 174.2 | -60.1 | -151.2 | 143.7 | 0 | 0 | 113.2 | S290 D292 H309 L310 | S290-E294 PolarHBondContact OG-N 3.13Å; D292-E294 HydrophobicContact CB-CG 4.3Å; D292-E294 PolarHBondContact O-N 3.25Å; D292-E294 PolarHBondContact OD1-N 2.99Å; E294-H309 IonicContact OE2-CE1 3.84Å; E294-L310 VanDerWaalsContact O-CB 3.27Å; E294-L310 WeakPolarHBondContact O-CB 3.26Å; E294-L310 WeakPolarHBondContact O-CG 3.33Å; E294-L310 PolarHBondContact O-N 3.42Å |
| 295 | E | 95.1 | Very high | 93.7 | Very high | 16 Ų | 16 | 16.7 Ų | 16.7 | 8% | 0.075 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 157.2 | -176.8 | -49.9 | -165.4 | 135.3 | 0 | 0 | 112.9 | F289 S290 L307 F308 H309 F701 R723 | F289-E295 WeakPolarHBondContact CA-O 3.33Å; F289-E295 WeakPolarHBondContact CD1-O 3.41Å; S290-E295 PolarHBondContact N-O 3.39Å; S290-E295 WeakPolarHBondContact OG-CB 3.35Å; S290-E295 PolarHBondContact OG-N 3.42Å; S290-E295 PolarHBondContact OG-O 2.89Å; E295-L307 HydrophobicContact CB-CD1 3.96Å; E295-F308 CarbonylContact C-O 3.57Å; E295-F308 WeakPolarHBondContact CA-O 3.5Å; E295-H309 IonicContact OE1-ND1 3.22Å; E295-F701 HydrophobicContact CB-CZ 4.28Å; E295-R723 IonicContact OE1-CZ 2.75Å; E295-R723 IonicContact OE1-NH2 2.64Å; E295-R723 PolarHBondContact OE1-NH2 3.22Å; E295-R723 IonicContact OE2-CZ 2.74Å; E295-R723 IonicContact OE2-NE 2.75Å; E295-R723 PolarHBondContact OE2-NE 3.15Å; E295-R723 IonicContact OE2-NH2 3.24Å; E295-R723 PolarHBondContact OE2-NH2 3.16Å |
| 296 | L | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 117.4 | 179.5 | 178.6 | 60.6 | 0 | 0 | 0 | 109.2 | A206 V214 F263 V287 S288 F289 F308 L310 | A206-L296 HydrophobicContact CB-CD1 3.9Å; A206-L296 HydrophobicContact CB-CD2 3.99Å; V214-L296 HydrophobicContact CG1-CD2 3.88Å; F263-L296 HydrophobicContact CD2-CD2 4.26Å; F263-L296 HydrophobicContact CE2-CD2 4.34Å; V287-L296 HydrophobicContact CB-CD1 4.16Å; S288-L296 WeakPolarHBondContact O-CA 3.39Å; F289-L296 HydrophobicContact CD1-CB 4.39Å; F289-L296 HydrophobicContact CD1-CD1 4.11Å; F289-L296 HydrophobicContact CD2-CD1 4.45Å; F289-L296 HydrophobicContact CE1-CB 4.37Å; F289-L296 HydrophobicContact CE1-CD1 4Å; F289-L296 HydrophobicContact CE2-CD1 4.35Å; F289-L296 HydrophobicContact CG-CD1 4.35Å; F289-L296 HydrophobicContact CZ-CD1 4.13Å; L296-F308 HydrophobicContact CB-CB 4.45Å; L296-F308 PolarHBondContact N-O 2.88Å; L296-F308 PolarHBondContact O-N 3.02Å; L296-L310 HydrophobicContact CB-CD2 3.85Å; L296-L310 HydrophobicContact CB-CG 4.46Å; L296-L310 HydrophobicContact CD2-CD2 4.29Å |
| 297 | L | 97.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 137.5 | 173.1 | -166.9 | 75.5 | 0 | 0 | 0 | 109 | V287 S288 I305 Y306 L307 Y686 A699 F701 I709 | V287-L297 CarbonylContact C-O 3.58Å; V287-L297 VanDerWaalsContact CA-O 3.28Å; V287-L297 WeakPolarHBondContact CA-O 3.46Å; S288-L297 PolarHBondContact N-O 3.12Å; S288-L297 PolarHBondContact O-N 3.39Å; L297-I305 HydrophobicContact CD1-CG2 3.58Å; L297-I305 HydrophobicContact CD2-CG2 4.23Å; L297-I305 HydrophobicContact CG-CG2 3.75Å; L297-Y306 CarbonylContact C-O 3.54Å; L297-Y306 WeakPolarHBondContact CA-O 3.41Å; L297-L307 HydrophobicContact CB-CD1 4.49Å; L297-L307 HydrophobicContact CD1-CB 4.44Å; L297-L307 HydrophobicContact CD1-CD1 4.06Å; L297-Y686 HydrophobicContact CD1-CD2 4.23Å; L297-Y686 HydrophobicContact CD1-CE2 3.94Å; L297-A699 HydrophobicContact CD2-CB 3.95Å; L297-F701 HydrophobicContact CB-CD2 4.47Å; L297-F701 HydrophobicContact CB-CE2 3.65Å; L297-F701 HydrophobicContact CB-CZ 3.87Å; L297-F701 HydrophobicContact CD2-CE2 4.5Å; L297-I709 HydrophobicContact CD1-CD1 4.02Å; L297-I709 HydrophobicContact CD1-CG1 4.4Å; L297-I709 HydrophobicContact CD1-CG2 4.22Å; L297-I709 HydrophobicContact CD2-CD1 4.19Å; L297-I709 HydrophobicContact CD2-CG2 3.88Å |
| 298 | A | 97.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 127 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V214 V284 S286 V287 I305 Y306 F308 | V214-A298 HydrophobicContact CG2-CB 3.81Å; V284-A298 HydrophobicContact CG1-CB 4.31Å; S286-A298 WeakPolarHBondContact O-CA 3.22Å; V287-A298 HydrophobicContact CG1-CB 4.21Å; A298-I305 CarbonylContact O-C 3.57Å; A298-I305 WeakPolarHBondContact O-CA 3.32Å; A298-Y306 PolarHBondContact N-O 3.21Å; A298-Y306 PolarHBondContact O-N 3.22Å; A298-F308 HydrophobicContact CB-CE2 4.05Å |
| 299 | N | 96.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 112.1 | 172.9 | -171.9 | 7.9 | 0 | 0 | 0 | 109.2 | V284 T285 S286 I305 H689 N691 K697 A699 | V284-N299 CarbonylContact C-O 3.57Å; V284-N299 WeakPolarHBondContact CA-O 3.34Å; T285-N299 PolarHBondContact N-O 2.88Å; T285-N299 PolarHBondContact OG1-ND2 3.43Å; S286-N299 PolarHBondContact O-N 3.19Å; N299-I305 HydrophobicContact CB-CG1 4.05Å; N299-I305 WeakPolarHBondContact OD1-CG1 3.22Å; N299-H689 PolarHBondContact OD1-NE2 3.06Å; N299-N691 VanDerWaalsContact CG-ND2 3.33Å; N299-N691 PolarHBondContact ND2-ND2 3.06Å; N299-N691 PolarHBondContact OD1-ND2 3.42Å; N299-N691 VanDerWaalsContact OD1-ND2 3.13Å; N299-K697 PolarHBondContact ND2-O 2.86Å; N299-A699 HydrophobicContact CB-CB 4.11Å |
| 300 | V | 94.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115 | -179.3 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | L268 F282 V284 D303 N304 Y306 | L268-V300 HydrophobicContact CD1-CG1 3.99Å; F282-V300 HydrophobicContact CB-CG1 4.15Å; F282-V300 HydrophobicContact CD1-CG1 4.21Å; V284-V300 HydrophobicContact CG2-CG2 4.37Å; V300-D303 HydrophobicContact CG1-CB 4.38Å; V300-D303 CarbonylContact O-C 3.52Å; V300-D303 VanDerWaalsContact O-C 3.23Å; V300-D303 PolarHBondContact O-N 3.29Å; V300-D303 VanDerWaalsContact O-N 3.13Å; V300-N304 PolarHBondContact N-O 3.41Å; V300-Y306 HydrophobicContact CB-CD2 4.29Å; V300-Y306 HydrophobicContact CB-CE2 4.05Å; V300-Y306 HydrophobicContact CG2-CD2 3.68Å; V300-Y306 HydrophobicContact CG2-CE2 3.85Å |
| 301 | G | 89.1 | Confident | 93 | Very high | 5 Ų | 5 | 21 Ų | 21 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 141.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S283 D303 N691 | S283-G301 WeakPolarHBondContact O-CA 3.45Å; S283-G301 PolarHBondContact O-N 2.84Å; G301-D303 PolarHBondContact O-N 3.44Å; G301-N691 CarbonylContact C-O 3.05Å; G301-N691 WeakPolarHBondContact CA-O 3.3Å |
| 302 | R | 82.7 | Confident | 92.3 | Very high | 40 Ų | 40 | 17.6 Ų | 17.6 | 15% | 0.151 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 0.6 | -170.2 | -52.3 | -173.9 | 67.4 | 166.9 | 1.2 | 115.9 | N279 N691 | N279-R302 PolarHBondContact O-NH1 3.06Å; R302-N691 PolarHBondContact N-O 2.8Å |
| 303 | D | 89.8 | Confident | 91.4 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -135 | -149.9 | 174.1 | -143.5 | -61.9 | 0 | 0 | 0 | 110.2 | L268 F282 V300 G301 Y306 | L268-D303 HydrophobicContact CD2-CB 4.39Å; L268-D303 VanDerWaalsContact CD2-OD2 3.28Å; L268-D303 WeakPolarHBondContact CD2-OD2 3.46Å; F282-D303 HydrophobicContact CD1-CB 4.31Å; F282-D303 HydrophobicContact CE1-CB 4.13Å; V300-D303 HydrophobicContact CG1-CB 4.38Å; V300-D303 CarbonylContact O-C 3.52Å; V300-D303 VanDerWaalsContact O-C 3.23Å; V300-D303 PolarHBondContact O-N 3.29Å; V300-D303 VanDerWaalsContact O-N 3.13Å; G301-D303 PolarHBondContact O-N 3.44Å; D303-Y306 PolarHBondContact OD1-OH 3.15Å |
| 304 | N | 94.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -98.1 | 174.3 | -170.3 | -64.4 | -67.2 | 0 | 0 | 0 | 113.6 | V300 Y306 N426 V687 | V300-N304 PolarHBondContact N-O 3.41Å; N304-Y306 HydrophobicContact CB-CE2 4.21Å; N304-Y306 VanDerWaalsContact O-CD2 3.3Å; N304-Y306 WeakPolarHBondContact O-CD2 3.43Å; N304-Y306 VanDerWaalsContact O-CE2 3.26Å; N304-Y306 WeakPolarHBondContact O-CE2 3.48Å; N304-N426 PolarHBondContact ND2-O 2.91Å; N304-V687 HydrophobicContact CB-CG2 4.42Å; N304-V687 WeakPolarHBondContact OD1-CA 3.16Å; N304-V687 VanDerWaalsContact OD1-CG1 3.28Å; N304-V687 WeakPolarHBondContact OD1-CG1 3.42Å | ||
| 305 | I | 97 | Very high | 89.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 134.6 | 166.5 | -64.4 | 149.8 | 0 | 0 | 0 | 108.1 | L297 A298 N299 S685 Y686 A699 W721 | L297-I305 HydrophobicContact CD1-CG2 3.58Å; L297-I305 HydrophobicContact CD2-CG2 4.23Å; L297-I305 HydrophobicContact CG-CG2 3.75Å; A298-I305 CarbonylContact O-C 3.57Å; A298-I305 WeakPolarHBondContact O-CA 3.32Å; N299-I305 HydrophobicContact CB-CG1 4.05Å; N299-I305 WeakPolarHBondContact OD1-CG1 3.22Å; I305-S685 CarbonylContact O-C 3.53Å; I305-S685 WeakPolarHBondContact O-CA 3.41Å; I305-Y686 HydrophobicContact CB-CD2 4.4Å; I305-Y686 HydrophobicContact CG2-CD2 4.05Å; I305-Y686 PolarHBondContact N-O 3.47Å; I305-Y686 PolarHBondContact O-N 2.82Å; I305-A699 HydrophobicContact CD1-CB 3.64Å; I305-A699 HydrophobicContact CG1-CB 3.86Å; I305-A699 HydrophobicContact CG2-CB 4.02Å; I305-W721 HydrophobicContact CD1-CH2 3.63Å; I305-W721 HydrophobicContact CD1-CZ3 3.82Å |
| 306 | Y | 97.3 | Very high | 88.3 | Confident | 1 Ų | 1 | 25.8 Ų | 25.8 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.2 | -178.5 | -59.5 | -87.1 | 0 | 0 | 0 | 111.6 | P265 L268 L297 A298 V300 D303 N304 F682 A684 | P265-Y306 HydrophobicContact CB-CD1 4.09Å; P265-Y306 HydrophobicContact CB-CE1 3.7Å; P265-Y306 HydrophobicContact CB-CE2 4.2Å; P265-Y306 HydrophobicContact CB-CG 4.48Å; P265-Y306 HydrophobicContact CG-CD1 3.77Å; P265-Y306 HydrophobicContact CG-CD2 3.53Å; P265-Y306 HydrophobicContact CG-CE1 3.71Å; P265-Y306 HydrophobicContact CG-CE2 3.45Å; P265-Y306 VanDerWaalsContact CG-CE2 3.45Å; P265-Y306 HydrophobicContact CG-CG 3.66Å; L268-Y306 HydrophobicContact CD1-CE2 4.34Å; L297-Y306 CarbonylContact C-O 3.54Å; L297-Y306 WeakPolarHBondContact CA-O 3.41Å; A298-Y306 PolarHBondContact N-O 3.21Å; A298-Y306 PolarHBondContact O-N 3.22Å; V300-Y306 HydrophobicContact CB-CD2 4.29Å; V300-Y306 HydrophobicContact CB-CE2 4.05Å; V300-Y306 HydrophobicContact CG2-CD2 3.68Å; V300-Y306 HydrophobicContact CG2-CE2 3.85Å; D303-Y306 PolarHBondContact OD1-OH 3.15Å; N304-Y306 HydrophobicContact CB-CE2 4.21Å; N304-Y306 VanDerWaalsContact O-CD2 3.3Å; N304-Y306 WeakPolarHBondContact O-CD2 3.43Å; N304-Y306 VanDerWaalsContact O-CE2 3.26Å; N304-Y306 WeakPolarHBondContact O-CE2 3.48Å; Y306-F682 HydrophobicContact CD1-CB 4.04Å; Y306-F682 AromaticContact CD1-CD1 3.57Å; Y306-F682 HydrophobicContact CD1-CD1 3.57Å; Y306-F682 HydrophobicContact CD1-CD2 4.05Å; Y306-F682 AromaticContact CD1-CE1 3.94Å; Y306-F682 HydrophobicContact CD1-CE1 3.94Å; Y306-F682 HydrophobicContact CD1-CE2 4.39Å; Y306-F682 AromaticContact CD1-CG 3.62Å; Y306-F682 HydrophobicContact CD1-CG 3.62Å; Y306-F682 HydrophobicContact CD1-CZ 4.33Å; Y306-F682 AromaticContact CE1-CD1 3.89Å; Y306-F682 HydrophobicContact CE1-CD1 3.89Å; Y306-F682 AromaticContact CE1-CE1 3.8Å; Y306-F682 HydrophobicContact CE1-CE1 3.8Å; Y306-F682 HydrophobicContact CE1-CG 4.33Å; Y306-F682 HydrophobicContact CE1-CZ 4.18Å; Y306-F682 HydrophobicContact CG-CB 4.46Å; Y306-F682 HydrophobicContact CG-CG 4.49Å; Y306-A684 WeakPolarHBondContact CA-O 3.47Å |
| 307 | L | 97.1 | Very high | 87 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 136.2 | 171.6 | -171.7 | 66.7 | 0 | 0 | 0 | 109.6 | E295 L297 F682 S683 A684 Y686 F701 R723 | E295-L307 HydrophobicContact CB-CD1 3.96Å; L297-L307 HydrophobicContact CB-CD1 4.49Å; L297-L307 HydrophobicContact CD1-CB 4.44Å; L297-L307 HydrophobicContact CD1-CD1 4.06Å; L307-F682 CarbonylContact O-C 3.59Å; L307-F682 WeakPolarHBondContact O-CA 3.31Å; L307-F682 WeakPolarHBondContact O-CB 3.13Å; L307-S683 PolarHBondContact O-N 2.94Å; L307-S683 PolarHBondContact O-OG 2.82Å; L307-S683 VanDerWaalsContact O-OG 3.09Å; L307-A684 HydrophobicContact CB-CB 4.11Å; L307-A684 HydrophobicContact CD2-CB 4.39Å; L307-A684 PolarHBondContact N-O 2.88Å; L307-Y686 HydrophobicContact CB-CE2 4.1Å; L307-F701 HydrophobicContact CD1-CE1 3.84Å; L307-F701 HydrophobicContact CD1-CZ 3.64Å; L307-R723 HydrophobicContact CD2-CG 4.32Å |
| 308 | F | 95.8 | Very high | 85.4 | Confident | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.009 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.6 | 173.9 | -58.5 | -87.8 | 0 | 0 | 0 | 109.5 | F263 P265 E295 L296 A298 F682 | F263-F308 HydrophobicContact CB-CD1 3.78Å; F263-F308 HydrophobicContact CB-CD2 4.28Å; F263-F308 HydrophobicContact CB-CE1 3.81Å; F263-F308 HydrophobicContact CB-CE2 4.3Å; F263-F308 HydrophobicContact CB-CG 4.03Å; F263-F308 HydrophobicContact CB-CZ 4.08Å; F263-F308 HydrophobicContact CD1-CB 3.74Å; F263-F308 AromaticContact CD1-CD1 3.75Å; F263-F308 HydrophobicContact CD1-CD1 3.75Å; F263-F308 AromaticContact CD1-CG 3.85Å; F263-F308 HydrophobicContact CD1-CG 3.85Å; F263-F308 HydrophobicContact CE1-CB 4.13Å; F263-F308 HydrophobicContact CG-CB 4.45Å; F263-F308 HydrophobicContact CG-CD1 4.21Å; F263-F308 HydrophobicContact CG-CG 4.24Å; P265-F308 HydrophobicContact CG-CZ 4.39Å; E295-F308 CarbonylContact C-O 3.57Å; E295-F308 WeakPolarHBondContact CA-O 3.5Å; L296-F308 HydrophobicContact CB-CB 4.45Å; L296-F308 PolarHBondContact N-O 2.88Å; L296-F308 PolarHBondContact O-N 3.02Å; A298-F308 HydrophobicContact CB-CE2 4.05Å; F308-F682 HydrophobicContact CD1-CB 4.08Å; F308-F682 HydrophobicContact CE1-CB 3.8Å; F308-F682 HydrophobicContact CZ-CB 4.22Å |
| 309 | H | 92.6 | Very high | 83.8 | Confident | 48 Ų | 48 | 31.4 Ų | 31.4 | 22% | 0.222 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 117.3 | 173.1 | -172.5 | 71.1 | 0 | 0 | 0 | 109.7 | E294 E295 A311 S312 | E294-H309 IonicContact OE2-CE1 3.84Å; E295-H309 IonicContact OE1-ND1 3.22Å; H309-A311 VanDerWaalsContact C-N 3.33Å; H309-A311 PolarHBondContact O-N 2.87Å; H309-S312 WeakPolarHBondContact O-CB 3.38Å; H309-S312 PolarHBondContact O-N 2.88Å; H309-S312 PolarHBondContact O-OG 3.21Å |
| 310 | L | 91.6 | Very high | 82 | Confident | 20 Ų | 20 | 37 Ų | 37 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -28.8 | -166 | -60.8 | 175.5 | 0 | 0 | 0 | 113.6 | M216 K261 F263 F289 G293 E294 L296 S312 | M216-L310 HydrophobicContact CE-CD2 4.22Å; M216-L310 HydrophobicContact SD-CD1 4.28Å; M216-L310 HydrophobicContact SD-CD2 3.92Å; K261-L310 PolarHBondContact NZ-O 3.44Å; F263-L310 HydrophobicContact CE1-CD2 3.92Å; F263-L310 HydrophobicContact CE2-CD2 4.09Å; F263-L310 HydrophobicContact CZ-CD2 3.39Å; F289-L310 HydrophobicContact CD1-CD1 3.93Å; F289-L310 HydrophobicContact CE1-CD1 3.69Å; G293-L310 WeakPolarHBondContact O-CD1 3.46Å; E294-L310 VanDerWaalsContact O-CB 3.27Å; E294-L310 WeakPolarHBondContact O-CB 3.26Å; E294-L310 WeakPolarHBondContact O-CG 3.33Å; E294-L310 PolarHBondContact O-N 3.42Å; L296-L310 HydrophobicContact CB-CD2 3.85Å; L296-L310 HydrophobicContact CB-CG 4.46Å; L296-L310 HydrophobicContact CD2-CD2 4.29Å; L310-S312 VanDerWaalsContact C-N 3.34Å |
| 311 | A | 86 | Confident | 79.9 | Confident | 78 Ų | 78 | 40.3 Ų | 40.3 | 65% | 0.645 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -14.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | H309 | H309-A311 VanDerWaalsContact C-N 3.33Å; H309-A311 PolarHBondContact O-N 2.87Å |
| 312 | S | 74 | Confident | 77.3 | Confident | 15 Ų | 15 | 43 Ų | 43 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | trans | -71 | 152.8 | 176.2 | 86.2 | 0 | 0 | 0 | 0 | 111.1 | H309 L310 N314 | H309-S312 WeakPolarHBondContact O-CB 3.38Å; H309-S312 PolarHBondContact O-N 2.88Å; H309-S312 PolarHBondContact O-OG 3.21Å; L310-S312 VanDerWaalsContact C-N 3.34Å; S312-N314 PolarHBondContact OG-N 3.29Å; S312-N314 PolarHBondContact OG-OD1 3.1Å | ||
| 313 | Q | 69.5 | Low | 74.9 | Confident | 149 Ų | 149 | 47.4 Ų | 47.4 | 70% | 0.696 | 25% | 0.247 | S | C | * | . | trans | -114 | 62.6 | 160.7 | -67 | -177.6 | -18.1 | 0 | 0 | 106.5 | E315 | Q313-E315 PolarHBondContact O-N 3.27Š| ||
| 314 | N | 72.9 | Confident | 72.1 | Confident | 60 Ų | 60 | 55.3 Ų | 55.3 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | trans | -66.2 | 85.5 | 168.9 | -77.4 | 10.2 | 0 | 0 | 0 | 107.7 | S312 I680 D681 F682 | S312-N314 PolarHBondContact OG-N 3.29Å; S312-N314 PolarHBondContact OG-OD1 3.1Å; N314-I680 HydrophobicContact CB-CG2 4.16Å; N314-D681 HydrophobicContact CB-CB 4.36Å; N314-D681 WeakPolarHBondContact CB-O 3.47Å; N314-D681 PolarHBondContact O-N 2.81Å; N314-F682 PolarHBondContact ND2-O 3.44Å; N314-F682 VanDerWaalsContact ND2-O 3.08Å | ||
| 315 | E | 71.4 | Confident | 68.8 | Low | 104 Ų | 104 | 60.4 Ų | 60.4 | 49% | 0.486 | 32% | 0.316 | S | S | . | . | trans | -62.1 | 128.8 | -179.7 | -70.5 | -174.7 | 163.2 | 0 | 0 | 109.3 | Q313 R437 | Q313-E315 PolarHBondContact O-N 3.27Å; E315-R437 PolarHBondContact O-NH1 3.23Å | ||
| 316 | P | 70 | Confident | 65.4 | Low | 6 Ų | 6 | 66.7 Ų | 66.7 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | trans | -58.9 | 153.5 | 179.5 | 29 | -35.8 | 0 | 0 | 0 | 108.8 | S266 Q318 L659 A679 | S266-P316 VanDerWaalsContact OG-CB 3.22Å; S266-P316 WeakPolarHBondContact OG-CB 3.29Å; P316-Q318 WeakPolarHBondContact O-CG 3.32Å; P316-Q318 PolarHBondContact O-N 3.31Å; P316-L659 HydrophobicContact CB-CD2 3.57Å; P316-L659 HydrophobicContact CG-CD2 3.81Å; P316-A679 VanDerWaalsContact CD-O 3.25Å; P316-A679 WeakPolarHBondContact CD-O 3.33Å; P316-A679 VanDerWaalsContact CG-O 3.29Å; P316-A679 WeakPolarHBondContact CG-O 3.34Å | ||
| 317 | F | 68.5 | Low | 62 | Low | 25 Ų | 25 | 77.6 Ų | 77.6 | 11% | 0.11 | 40% | 0.396 | C | S | . | . | trans | -63 | 104.6 | -179.7 | -175.6 | -81.7 | 0 | 0 | 0 | 110.6 | Y430 L433 L481 W486 A489 | F317-Y430 HydrophobicContact CB-CE2 4.41Å; F317-L433 HydrophobicContact CD2-CD2 4.09Å; F317-L433 HydrophobicContact CD2-CG 4.41Å; F317-L433 HydrophobicContact CE2-CD1 4.26Å; F317-L433 HydrophobicContact CE2-CD2 4.24Å; F317-L433 HydrophobicContact CE2-CG 4.39Å; F317-L433 HydrophobicContact CG-CD2 4.29Å; F317-L481 HydrophobicContact CD1-CD2 4.39Å; F317-L481 HydrophobicContact CE1-CD2 3.69Å; F317-L481 HydrophobicContact CZ-CD1 4.13Å; F317-L481 HydrophobicContact CZ-CD2 3.82Å; F317-W486 HydrophobicContact CB-CH2 4.12Å; F317-W486 HydrophobicContact CB-CZ3 3.57Å; F317-W486 AromaticContact CD1-CE3 3.45Å; F317-W486 HydrophobicContact CD1-CE3 3.45Å; F317-W486 VanDerWaalsContact CD1-CE3 3.45Å; F317-W486 HydrophobicContact CD1-CH2 4.46Å; F317-W486 AromaticContact CD1-CZ3 3.33Å; F317-W486 HydrophobicContact CD1-CZ3 3.33Å; F317-W486 AromaticContact CE1-CE3 3.89Å; F317-W486 HydrophobicContact CE1-CE3 3.89Å; F317-W486 HydrophobicContact CE1-CZ3 4.19Å; F317-W486 HydrophobicContact CG-CE3 4.15Å; F317-W486 AromaticContact CG-CZ3 3.59Å; F317-W486 HydrophobicContact CG-CZ3 3.59Å; F317-A489 HydrophobicContact CE1-CB 3.67Å; F317-A489 HydrophobicContact CZ-CB 4.19Å | ||
| 318 | Q | 65.7 | Low | 58.7 | Low | 89 Ų | 89 | 84.8 Ų | 84.8 | 42% | 0.416 | 43% | 0.434 | S | S | . | . | trans | -85.5 | 117.5 | -175.9 | -62.9 | -167.9 | -1.9 | 0 | 0 | 111.3 | P316 Q320 | P316-Q318 WeakPolarHBondContact O-CG 3.32Å; P316-Q318 PolarHBondContact O-N 3.31Å; Q318-Q320 PolarHBondContact O-N 2.72Å | ||
| 319 | C | 63.7 | Low | 55.3 | Low | 5 Ų | 5 | 92.3 Ų | 92.3 | 3% | 0.034 | 47% | 0.473 | C | S | . | . | trans | -72.3 | 109 | 162.4 | 179.3 | 0 | 0 | 0 | 0 | 109.3 | L321 N488 A489 C658 | C319-L321 PolarHBondContact O-N 3.23Å; C319-L321 VanDerWaalsContact O-N 3.14Å; C319-N488 WeakPolarHBondContact SG-CB 3.33Å; C319-A489 HydrophobicContact CB-CB 4.47Å; C319-C658 HydrophobicContact CB-CB 4.26Å; C319-C658 WeakPolarHBondContact CB-SG 3.32Å | ||
| 320 | Q | 58.3 | Low | 52.1 | Low | 118 Ų | 118 | 100.9 Ų | 100.9 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | trans | -68.9 | 109.5 | 172.9 | -67.6 | -175 | -8.5 | 0 | 0 | 109.9 | Q318 S322 I492 | Q318-Q320 PolarHBondContact O-N 2.72Å; Q320-S322 PolarHBondContact O-N 2.85Å; Q320-I492 HydrophobicContact CB-CD1 4.44Å; Q320-I492 VanDerWaalsContact O-CD1 3.22Å; Q320-I492 WeakPolarHBondContact O-CD1 3.5Å | ||
| 321 | L | 50.7 | Low | 49.1 | Very low | 72 Ų | 72 | 105.1 Ų | 105.1 | 38% | 0.377 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -75.2 | 2.9 | 178.3 | -72.5 | 164.7 | 0 | 0 | 0 | 113.6 | C319 I651 P653 | C319-L321 PolarHBondContact O-N 3.23Å; C319-L321 VanDerWaalsContact O-N 3.14Å; L321-I651 HydrophobicContact CD2-CG2 3.8Å; L321-P653 HydrophobicContact CD2-CB 4.08Å |
| 322 | S | 34.5 | Very low | 46.1 | Very low | 61 Ų | 61 | 109.8 Ų | 109.8 | 43% | 0.427 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -151.3 | 132.4 | 175.9 | 65.5 | 0 | 0 | 0 | 0 | 112 | Q320 K324 | Q320-S322 PolarHBondContact O-N 2.85Å; S322-K324 PolarHBondContact O-N 3.09Å |
| 323 | F | 32.7 | Very low | 43.8 | Very low | 134 Ų | 134 | 114.5 Ų | 114.5 | 59% | 0.588 | 58% | 0.582 | S | S | * | * | trans | -68.7 | 81.5 | 159.8 | -96.4 | -90.3 | 0 | 0 | 0 | 109.5 | S325 I492 K495 | F323-S325 PolarHBondContact O-N 3.5Å; F323-I492 HydrophobicContact CE2-CG1 3.99Å; F323-I492 HydrophobicContact CE2-CG2 4.38Å; F323-I492 HydrophobicContact CZ-CG2 4.29Å; F323-K495 HydrophobicContact CE2-CD 4.37Å | ||
| 324 | K | 29.6 | Very low | 41.9 | Very low | 169 Ų | 169 | 111.7 Ų | 111.7 | 74% | 0.735 | 59% | 0.585 | S | S | * | * | trans | -78 | 113.3 | 158.6 | -79.9 | -173 | 177.9 | -179.8 | 0 | 107.2 | S322 T326 | S322-K324 PolarHBondContact O-N 3.09Å; K324-T326 PolarHBondContact O-N 3.04Å | ||
| 325 | S | 25.6 | Very low | 40 | Very low | 107 Ų | 107 | 113.9 Ų | 113.9 | 75% | 0.748 | 61% | 0.605 | S | S | * | * | trans | -54.1 | 108.4 | -176.1 | -174.1 | 0 | 0 | 0 | 0 | 111.4 | F323 R327 | F323-S325 PolarHBondContact O-N 3.5Å; S325-R327 PolarHBondContact O-N 2.95Å | ||
| 326 | T | 26.9 | Very low | 38.1 | Very low | 133 Ų | 133 | 117.8 Ų | 117.8 | 82% | 0.816 | 62% | 0.623 | S | S | * | * | trans | -79.5 | 53 | 177.5 | 38.8 | 0 | 0 | 0 | 0 | 112 | K324 L328 | K324-T326 PolarHBondContact O-N 3.04Å; T326-L328 PolarHBondContact O-N 3.27Å | ||
| 327 | R | 25.6 | Very low | 36.3 | Very low | 230 Ų | 230 | 121.8 Ų | 121.8 | 87% | 0.868 | 65% | 0.649 | S | S | * | * | trans | -73.4 | 73.7 | 152.9 | -93.1 | -169.6 | 170.2 | -176.4 | -1.9 | 108.8 | S325 | S325-R327 PolarHBondContact O-N 2.95Š| ||
| 328 | L | 27.1 | Very low | 34.3 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 82% | 0.817 | 69% | 0.685 | S | S | * | * | trans | -150.4 | 55.4 | 168.8 | -103.3 | 179.4 | 0 | 0 | 0 | 112.3 | T326 | T326-L328 PolarHBondContact O-N 3.27Š| ||
| 329 | L | 24.5 | Very low | 32.5 | Very low | 159 Ų | 159 | 134 Ų | 134 | 83% | 0.832 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -123.7 | 146.9 | 144.3 | -71.5 | 173.7 | 0 | 0 | 0 | 106.4 | ||
| 330 | Y | 25.7 | Very low | 30.7 | Very low | 229 Ų | 229 | 145.4 Ų | 145.4 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | trans | 72.2 | 98.1 | -162.9 | -70.8 | -95.3 | 0 | 0 | 0 | 116.7 | ||||
| 331 | S | 27.5 | Very low | 29.1 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | -175.9 | 123.6 | 97.1 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 332 | L | 24.3 | Very low | 28 | Very low | 176 Ų | 176 | 157.9 Ų | 157.9 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -77.2 | 125.5 | 160.9 | -70 | 92.7 | 0 | 0 | 0 | 109.1 | ||||
| 333 | S | 25.5 | Very low | 27.6 | Very low | 113 Ų | 113 | 159.5 Ų | 159.5 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 171.3 | 157.5 | 140.7 | 42.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 334 | A | 29.6 | Very low | 27.2 | Very low | 90 Ų | 90 | 162.9 Ų | 162.9 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | 72.3 | 101.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 335 | S | 32.5 | Very low | 26.9 | Very low | 107 Ų | 107 | 165.5 Ų | 165.5 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | trans | 59.2 | 93.4 | 135.4 | 58.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 336 | Q | 31.5 | Very low | 26.8 | Very low | 186 Ų | 186 | 167 Ų | 167 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | 49.4 | 152.7 | 117.8 | -70.2 | -157 | 23.5 | 0 | 0 | 123 | |||||
| 337 | P | 32.7 | Very low | 26.7 | Very low | 90 Ų | 90 | 165.7 Ų | 165.7 | 58% | 0.584 | 81% | 0.81 | S | S | * | * | cis | -148 | 179.3 | -38.9 | 44.1 | -26.6 | 0 | 0 | 0 | 115.6 | ||||
| 338 | R | 26.3 | Very low | 26.8 | Very low | 225 Ų | 225 | 159.1 Ų | 159.1 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | trans | 68.4 | 92.1 | 156.9 | -64 | 169.2 | -171 | -169.5 | 1.9 | 120 | ||||
| 339 | N | 28.4 | Very low | 26.8 | Very low | 145 Ų | 145 | 158.7 Ų | 158.7 | 78% | 0.775 | 78% | 0.784 | S | S | * | * | S | Bend | -179.3 | 126.8 | 95.6 | -96.8 | -38.2 | 0 | 0 | 0 | 114.7 | |||
| 340 | R | 25.9 | Very low | 26.9 | Very low | 244 Ų | 244 | 157.3 Ų | 157.3 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | 48.7 | 61.2 | 160 | -55.7 | -170 | -170.3 | -173.5 | 4.9 | 119.7 | ||||
| 341 | F | 24.8 | Very low | 26.8 | Very low | 206 Ų | 206 | 156.3 Ų | 156.3 | 90% | 0.904 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 125.3 | 143.6 | -88.6 | -93.7 | 0 | 0 | 0 | 109.3 | ||
| 342 | R | 26.3 | Very low | 26.7 | Very low | 246 Ų | 246 | 157.1 Ų | 157.1 | 93% | 0.928 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 130.3 | 163.6 | -86 | -170.5 | 171.3 | -170.7 | -2.1 | 108.1 | ||
| 343 | S | 26.8 | Very low | 26.8 | Very low | 96 Ų | 96 | 152.4 Ų | 152.4 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 135.5 | -171.3 | 53 | 0 | 0 | 0 | 0 | 112.7 | R345 | S343-R345 PolarHBondContact O-N 3.37Å; S343-R345 VanDerWaalsContact O-N 3.15Å |
| 344 | F | 23.5 | Very low | 26.9 | Very low | 204 Ų | 204 | 153.4 Ų | 153.4 | 90% | 0.895 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 116.6 | 153.7 | -81.5 | -102.5 | 0 | 0 | 0 | 109.1 | ||
| 345 | R | 24.3 | Very low | 26.8 | Very low | 224 Ų | 224 | 156.4 Ų | 156.4 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -116.1 | 117.4 | 157.4 | -85.2 | -167.6 | 176.7 | -169.5 | -0.1 | 107.3 | S343 P347 | S343-R345 PolarHBondContact O-N 3.37Å; S343-R345 VanDerWaalsContact O-N 3.15Å; R345-P347 WeakPolarHBondContact O-CD 3.43Å | ||
| 346 | I | 23.8 | Very low | 26.7 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | -57.1 | 124.9 | 171.2 | -60.8 | 157.3 | 0 | 0 | 0 | 107.7 | T348 | I346-T348 PolarHBondContact O-N 2.87Š| ||
| 347 | P | 24.6 | Very low | 26.5 | Very low | 104 Ų | 104 | 156.7 Ų | 156.7 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | -66.5 | 106 | 169.9 | -19.5 | 33 | 0 | 0 | 0 | 109.1 | R345 W349 | R345-P347 WeakPolarHBondContact O-CD 3.43Å; P347-W349 PolarHBondContact O-N 2.96Å | ||
| 348 | T | 26.7 | Very low | 26.3 | Very low | 92 Ų | 92 | 162.6 Ų | 162.6 | 56% | 0.564 | 76% | 0.759 | S | S | * | * | trans | -81.9 | 102.5 | -178.1 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | I346 | I346-T348 PolarHBondContact O-N 2.87Š| ||
| 349 | W | 27.4 | Very low | 26.4 | Very low | 148 Ų | 148 | 157.6 Ų | 157.6 | 56% | 0.561 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 73 | 166.4 | 142.5 | -61 | 24.1 | 0 | 0 | 0 | 115.7 | P347 R351 F408 | P347-W349 PolarHBondContact O-N 2.96Å; W349-R351 PolarHBondContact O-N 3.05Å; W349-F408 HydrophobicContact CD2-CD1 4.34Å; W349-F408 AromaticContact CD2-CE1 3.65Å; W349-F408 HydrophobicContact CD2-CE1 3.65Å; W349-F408 HydrophobicContact CD2-CZ 4.06Å; W349-F408 AromaticContact CE3-CD1 3.81Å; W349-F408 HydrophobicContact CE3-CD1 3.81Å; W349-F408 HydrophobicContact CE3-CD2 4.45Å; W349-F408 AromaticContact CE3-CE1 3.1Å; W349-F408 HydrophobicContact CE3-CE1 3.1Å; W349-F408 AromaticContact CE3-CE2 3.83Å; W349-F408 HydrophobicContact CE3-CE2 3.83Å; W349-F408 HydrophobicContact CE3-CG 4.45Å; W349-F408 AromaticContact CE3-CZ 3.12Å; W349-F408 HydrophobicContact CE3-CZ 3.12Å; W349-F408 HydrophobicContact CG-CE1 4.33Å; W349-F408 AromaticContact CH2-CD1 3.73Å; W349-F408 HydrophobicContact CH2-CD1 3.73Å; W349-F408 HydrophobicContact CH2-CD2 4.47Å; W349-F408 AromaticContact CH2-CE1 3.94Å; W349-F408 HydrophobicContact CH2-CE1 3.94Å; W349-F408 HydrophobicContact CH2-CG 4.05Å; W349-F408 HydrophobicContact CH2-CZ 4.39Å; W349-F408 HydrophobicContact CZ2-CD1 4.33Å; W349-F408 HydrophobicContact CZ2-CE1 4.44Å; W349-F408 AromaticContact CZ3-CD1 3.46Å; W349-F408 HydrophobicContact CZ3-CD1 3.46Å; W349-F408 VanDerWaalsContact CZ3-CD1 3.46Å; W349-F408 AromaticContact CZ3-CD2 3.79Å; W349-F408 HydrophobicContact CZ3-CD2 3.79Å; W349-F408 AromaticContact CZ3-CE1 3.26Å; W349-F408 HydrophobicContact CZ3-CE1 3.26Å; W349-F408 AromaticContact CZ3-CE2 3.57Å; W349-F408 HydrophobicContact CZ3-CE2 3.57Å; W349-F408 AromaticContact CZ3-CG 3.76Å; W349-F408 HydrophobicContact CZ3-CG 3.76Å; W349-F408 AromaticContact CZ3-CZ 3.33Å; W349-F408 HydrophobicContact CZ3-CZ 3.33Å |
| 350 | F | 25.7 | Very low | 26.3 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | trans | -53.6 | 105.1 | 166.1 | -101.4 | -100.1 | 0 | 0 | 0 | 109.4 | P407 | F350-P407 HydrophobicContact CD2-CB 4.31Š| ||
| 351 | R | 24.5 | Very low | 26.6 | Very low | 208 Ų | 208 | 154.3 Ų | 154.3 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | -129.8 | 116.8 | 161.5 | -82.6 | -168.2 | 172.4 | -163.1 | -2 | 108.2 | W349 S353 | W349-R351 PolarHBondContact O-N 3.05Å; R351-S353 PolarHBondContact O-N 3.19Å; R351-S353 VanDerWaalsContact O-N 3.14Å | ||
| 352 | P | 24.7 | Very low | 26.7 | Very low | 126 Ų | 126 | 150 Ų | 150 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | -65.9 | 111.9 | 161.9 | 27.8 | -30.4 | 0 | 0 | 0 | 107.9 | N354 | P352-N354 PolarHBondContact O-N 2.56Š| ||
| 353 | S | 26.6 | Very low | 26.7 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 55% | 0.545 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -74 | 72.5 | 175.7 | 32.7 | 0 | 0 | 0 | 0 | 110.8 | R351 | R351-S353 PolarHBondContact O-N 3.19Å; R351-S353 VanDerWaalsContact O-N 3.14Å |
| 354 | N | 27.8 | Very low | 26.7 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | trans | -160.1 | 81.9 | 158 | -106.6 | -33.6 | 0 | 0 | 0 | 112.3 | P352 | P352-N354 PolarHBondContact O-N 2.56Š| ||
| 355 | M | 27.7 | Very low | 26.8 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -143.8 | 100.4 | 154.4 | -163.2 | 91.3 | 100.2 | 0 | 0 | 107.4 | ||||
| 356 | G | 30.8 | Very low | 27 | Very low | 70 Ų | 70 | 136.9 Ų | 136.9 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | -65.7 | 147.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 357 | Y | 26.5 | Very low | 27.1 | Very low | 229 Ų | 229 | 137 Ų | 137 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | trans | -51.6 | 135.4 | 170.5 | -99.3 | -118.4 | 0 | 0 | 0 | 111.8 | ||||
| 358 | Y | 29.4 | Very low | 27.3 | Very low | 214 Ų | 214 | 142.9 Ų | 142.9 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | -153.1 | 134.6 | 123.4 | -110.9 | -75.2 | 0 | 0 | 0 | 111.6 | |||||
| 359 | D | 28.5 | Very low | 27.2 | Very low | 120 Ų | 120 | 148.7 Ų | 148.7 | 64% | 0.642 | 74% | 0.743 | S | S | * | * | trans | 31 | 117.3 | 169.8 | -83.9 | -58 | 0 | 0 | 0 | 125.5 | ||||
| 360 | S | 26.9 | Very low | 27.2 | Very low | 88 Ų | 88 | 146.8 Ų | 146.8 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | 21.1 | 115.7 | 123.7 | 65.3 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 361 | Y | 30.6 | Very low | 27.4 | Very low | 233 Ų | 233 | 148 Ų | 148 | 91% | 0.914 | 76% | 0.763 | S | S | * | * | -157.5 | 147.4 | 124.7 | -103.5 | -71.4 | 0 | 0 | 0 | 110.8 | |||||
| 362 | S | 27.5 | Very low | 28 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -78.8 | 139.5 | -176 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 363 | G | 25.4 | Very low | 29.2 | Very low | 67 Ų | 67 | 138.8 Ų | 138.8 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | trans | 157 | 139 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 364 | S | 27.9 | Very low | 30 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | trans | 61.5 | 116.6 | 166.6 | 57 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 365 | T | 25.8 | Very low | 31 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 85% | 0.847 | 73% | 0.732 | S | S | * | * | trans | -53.5 | 129.8 | 157.6 | 46 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 366 | Y | 28.9 | Very low | 32.6 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -120.1 | 115.9 | 166.3 | -84.9 | -83.1 | 0 | 0 | 0 | 111.1 | Y368 | Y366-Y368 PolarHBondContact O-N 3.47Š| ||
| 367 | D | 24.5 | Very low | 34.4 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 76% | 0.759 | 69% | 0.686 | S | S | * | * | trans | -87.6 | 102.7 | -177.3 | -165.4 | -1.2 | 0 | 0 | 0 | 109.9 | R369 | D367-R369 VanDerWaalsContact C-N 3.27Å; D367-R369 PolarHBondContact O-N 2.98Å | ||
| 368 | Y | 29.1 | Very low | 36.5 | Very low | 227 Ų | 227 | 128.2 Ų | 128.2 | 89% | 0.89 | 67% | 0.671 | S | S | * | * | trans | -82.6 | 68.7 | -178.3 | -96.9 | -89.3 | 0 | 0 | 0 | 111.7 | Y366 | Y366-Y368 PolarHBondContact O-N 3.47Š| ||
| 369 | R | 25.6 | Very low | 38.5 | Very low | 215 Ų | 215 | 118.7 Ų | 118.7 | 81% | 0.811 | 64% | 0.636 | S | S | * | * | trans | -129.7 | 77.9 | 170.2 | -76.3 | -174.5 | 170.5 | -167.4 | -0.1 | 111.9 | D367 | D367-R369 VanDerWaalsContact C-N 3.27Å; D367-R369 PolarHBondContact O-N 2.98Å | ||
| 370 | C | 26 | Very low | 40.8 | Very low | 108 Ų | 108 | 113.9 Ų | 113.9 | 73% | 0.73 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -161.5 | 140.8 | 162.7 | -129.7 | 0 | 0 | 0 | 0 | 115.8 | S372 | C370-S372 PolarHBondContact O-N 3.03Š|
| 371 | N | 30.7 | Very low | 43.3 | Very low | 154 Ų | 154 | 112.3 Ų | 112.3 | 82% | 0.824 | 60% | 0.598 | S | S | * | * | S | Bend | trans | 61.9 | 11.3 | 151.1 | -64.5 | -8 | 0 | 0 | 0 | 122.6 | ||
| 372 | S | 37.4 | Very low | 45.7 | Very low | 73 Ų | 73 | 104.5 Ų | 104.5 | 51% | 0.51 | 57% | 0.572 | S | S | . | * | trans | -87.7 | -15.4 | 173.1 | -169.3 | 0 | 0 | 0 | 0 | 115.8 | C370 | C370-S372 PolarHBondContact O-N 3.03Š| ||
| 373 | S | 48.8 | Very low | 48.2 | Very low | 67 Ų | 67 | 99 Ų | 99 | 47% | 0.469 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.9 | -49.3 | -166.2 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | A375 S376 D377 | S373-A375 PolarHBondContact O-N 2.87Å; S373-S376 WeakPolarHBondContact O-CA 3.23Å; S373-S376 VanDerWaalsContact O-CB 3.28Å; S373-S376 WeakPolarHBondContact O-CB 3.34Å; S373-S376 PolarHBondContact O-N 2.89Å; S373-D377 PolarHBondContact O-N 3.43Å |
| 374 | M | 44.1 | Very low | 50.9 | Low | 131 Ų | 131 | 96.8 Ų | 96.8 | 65% | 0.645 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -53.1 | -36 | -173.6 | -65.2 | -71.2 | 98.2 | 0 | 0 | 114.3 | Y378 | M374-Y378 PolarHBondContact O-N 3.15Å |
| 375 | A | 49.3 | Very low | 53.7 | Low | 70 Ų | 70 | 97.7 Ų | 97.7 | 58% | 0.579 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -73.6 | -36.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S373 A379 | S373-A375 PolarHBondContact O-N 2.87Å; A375-A379 WeakPolarHBondContact O-CB 3.44Å; A375-A379 PolarHBondContact O-N 2.82Å |
| 376 | S | 61.8 | Low | 56.7 | Low | 13 Ų | 13 | 93 Ų | 93 | 9% | 0.091 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | S373 A379 T380 | S373-S376 WeakPolarHBondContact O-CA 3.23Å; S373-S376 VanDerWaalsContact O-CB 3.28Å; S373-S376 WeakPolarHBondContact O-CB 3.34Å; S373-S376 PolarHBondContact O-N 2.89Å; S376-A379 PolarHBondContact O-N 3.05Å; S376-T380 WeakPolarHBondContact O-CB 3.45Å; S376-T380 PolarHBondContact O-N 3.21Å; S376-T380 PolarHBondContact O-OG1 3.33Å |
| 377 | D | 67 | Low | 59.5 | Low | 80 Ų | 80 | 84.4 Ų | 84.4 | 43% | 0.428 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66 | -50.1 | -177.1 | -58.8 | -33.2 | 0 | 0 | 0 | 111.1 | S373 A379 T380 V381 | S373-D377 PolarHBondContact O-N 3.43Å; D377-A379 VanDerWaalsContact C-N 3.32Å; D377-A379 PolarHBondContact O-N 3.35Å; D377-T380 PolarHBondContact O-N 3.42Å; D377-V381 WeakPolarHBondContact O-CG2 3.02Å; D377-V381 PolarHBondContact O-N 3.49Å |
| 378 | Y | 72.2 | Confident | 62.5 | Low | 147 Ų | 147 | 81.8 Ų | 81.8 | 58% | 0.576 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -57.4 | -43.3 | 176.5 | 178.7 | -100.3 | 0 | 0 | 0 | 112.6 | M374 V381 L382 | M374-Y378 PolarHBondContact O-N 3.15Å; Y378-V381 PolarHBondContact O-N 3.03Å; Y378-L382 PolarHBondContact O-N 2.92Å |
| 379 | A | 70.9 | Confident | 65.4 | Low | 14 Ų | 14 | 74.4 Ų | 74.4 | 12% | 0.116 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -72.6 | -30.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A375 S376 D377 L382 A383 L402 | A375-A379 WeakPolarHBondContact O-CB 3.44Å; A375-A379 PolarHBondContact O-N 2.82Å; S376-A379 PolarHBondContact O-N 3.05Å; D377-A379 VanDerWaalsContact C-N 3.32Å; D377-A379 PolarHBondContact O-N 3.35Å; A379-L382 PolarHBondContact O-N 3.2Å; A379-A383 WeakPolarHBondContact O-CB 3.36Å; A379-A383 PolarHBondContact O-N 3.29Å; A379-L402 HydrophobicContact CB-CD1 3.96Å; A379-L402 HydrophobicContact CB-CD2 3.47Å; A379-L402 VanDerWaalsContact CB-CD2 3.47Å; A379-L402 HydrophobicContact CB-CG 4.33Å |
| 380 | T | 76.7 | Confident | 68.5 | Low | 19 Ų | 19 | 71.7 Ų | 71.7 | 12% | 0.117 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68 | -41.5 | 172.6 | -58 | 0 | 0 | 0 | 0 | 111.3 | S376 D377 A383 S384 L412 | S376-T380 WeakPolarHBondContact O-CB 3.45Å; S376-T380 PolarHBondContact O-N 3.21Å; S376-T380 PolarHBondContact O-OG1 3.33Å; D377-T380 PolarHBondContact O-N 3.42Å; T380-A383 PolarHBondContact O-N 2.95Å; T380-S384 WeakPolarHBondContact O-CB 3.41Å; T380-S384 PolarHBondContact O-N 2.83Å; T380-S384 PolarHBondContact O-OG 3.2Å; T380-L412 HydrophobicContact CG2-CD2 4.19Å; T380-L412 WeakPolarHBondContact OG1-CD2 3.49Å |
| 381 | V | 79.9 | Confident | 71.7 | Confident | 55 Ų | 55 | 68 Ų | 68 | 33% | 0.333 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 172 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | D377 Y378 A383 S384 R385 | D377-V381 WeakPolarHBondContact O-CG2 3.02Å; D377-V381 PolarHBondContact O-N 3.49Å; Y378-V381 PolarHBondContact O-N 3.03Å; V381-A383 PolarHBondContact O-N 3.07Å; V381-S384 PolarHBondContact O-N 2.94Å; V381-R385 WeakPolarHBondContact O-CG 3.47Å; V381-R385 PolarHBondContact O-N 3.22Å |
| 382 | L | 79.4 | Confident | 74.7 | Confident | 70 Ų | 70 | 63 Ų | 63 | 37% | 0.366 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 176.2 | -176.4 | 66.4 | 0 | 0 | 0 | 112.3 | Y378 A379 S384 R385 L386 | Y378-L382 PolarHBondContact O-N 2.92Å; A379-L382 PolarHBondContact O-N 3.2Å; L382-S384 VanDerWaalsContact C-N 3.32Å; L382-S384 PolarHBondContact O-N 3.12Å; L382-R385 PolarHBondContact O-N 3.3Å; L382-L386 WeakPolarHBondContact O-CG 3.34Å; L382-L386 PolarHBondContact O-N 3.33Å |
| 383 | A | 80.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65 | -36.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A379 T380 V381 L386 I387 K398 Y399 L402 | A379-A383 WeakPolarHBondContact O-CB 3.36Å; A379-A383 PolarHBondContact O-N 3.29Å; T380-A383 PolarHBondContact O-N 2.95Å; V381-A383 PolarHBondContact O-N 3.07Å; A383-L386 WeakPolarHBondContact O-CB 3.48Å; A383-L386 PolarHBondContact O-N 3.06Å; A383-I387 PolarHBondContact O-N 3.17Å; A383-K398 HydrophobicContact CB-CB 4.36Å; A383-K398 HydrophobicContact CB-CG 4.15Å; A383-Y399 HydrophobicContact CB-CD1 4.14Å; A383-Y399 HydrophobicContact CB-CD2 4.15Å; A383-Y399 HydrophobicContact CB-CE1 3.72Å; A383-Y399 HydrophobicContact CB-CE2 3.71Å; A383-Y399 HydrophobicContact CB-CG 4.32Å; A383-Y399 VanDerWaalsContact CB-CZ 3.49Å; A383-L402 HydrophobicContact CB-CD1 4.23Å |
| 384 | S | 82.2 | Confident | 79.4 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 174.9 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | T380 V381 L382 L386 I387 E388 Y399 | T380-S384 WeakPolarHBondContact O-CB 3.41Å; T380-S384 PolarHBondContact O-N 2.83Å; T380-S384 PolarHBondContact O-OG 3.2Å; V381-S384 PolarHBondContact O-N 2.94Å; L382-S384 VanDerWaalsContact C-N 3.32Å; L382-S384 PolarHBondContact O-N 3.12Å; S384-L386 PolarHBondContact O-N 3.31Å; S384-I387 WeakPolarHBondContact O-CA 3.47Å; S384-I387 WeakPolarHBondContact O-CB 3.38Å; S384-I387 PolarHBondContact O-N 3.34Å; S384-E388 PolarHBondContact O-N 3.47Å; S384-E388 VanDerWaalsContact O-N 3.14Å; S384-Y399 PolarHBondContact N-OH 2.77Å; S384-Y399 PolarHBondContact OG-OH 2.87Å |
| 385 | R | 87.8 | Confident | 81.7 | Confident | 111 Ų | 111 | 54 Ų | 54 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.1 | -26.1 | 174.2 | -72.9 | 178.5 | 179.7 | 178.3 | 1.7 | 113.8 | V381 L382 E388 A389 | V381-R385 WeakPolarHBondContact O-CG 3.47Å; V381-R385 PolarHBondContact O-N 3.22Å; L382-R385 PolarHBondContact O-N 3.3Å; R385-E388 WeakPolarHBondContact CA-OE1 3.47Å; R385-A389 VanDerWaalsContact O-CB 3.32Å; R385-A389 WeakPolarHBondContact O-CB 3.45Å; R385-A389 PolarHBondContact O-N 3.2Å |
| 386 | L | 88.9 | Confident | 83.9 | Confident | 39 Ų | 39 | 51 Ų | 51 | 20% | 0.204 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.6 | -32.6 | 172.6 | -67.9 | 169.7 | 0 | 0 | 0 | 112.2 | L382 A383 S384 K390 A391 V394 A395 K398 | L382-L386 WeakPolarHBondContact O-CG 3.34Å; L382-L386 PolarHBondContact O-N 3.33Å; A383-L386 WeakPolarHBondContact O-CB 3.48Å; A383-L386 PolarHBondContact O-N 3.06Å; S384-L386 PolarHBondContact O-N 3.31Å; L386-K390 PolarHBondContact O-N 2.88Å; L386-A391 HydrophobicContact CB-CB 4.46Å; L386-A391 HydrophobicContact CD2-CB 4.2Å; L386-A391 PolarHBondContact O-N 2.74Å; L386-V394 HydrophobicContact CD1-CG1 4.04Å; L386-V394 HydrophobicContact CD2-CG1 4.36Å; L386-A395 HydrophobicContact CB-CB 3.7Å; L386-K398 HydrophobicContact CD1-CB 4.24Å |
| 387 | I | 87.4 | Confident | 85.4 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 9% | 0.087 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.2 | -44.5 | 171.9 | -56.7 | 178.7 | 0 | 0 | 0 | 109.9 | A383 S384 A389 K390 Y392 A395 Y399 T418 A419 F1019 | A383-I387 PolarHBondContact O-N 3.17Å; S384-I387 WeakPolarHBondContact O-CA 3.47Å; S384-I387 WeakPolarHBondContact O-CB 3.38Å; S384-I387 PolarHBondContact O-N 3.34Å; I387-A389 VanDerWaalsContact C-N 3.31Å; I387-A389 PolarHBondContact O-N 3.32Å; I387-K390 WeakPolarHBondContact O-CA 3.41Å; I387-K390 PolarHBondContact O-N 3.35Å; I387-Y392 HydrophobicContact CG2-CD1 4.27Å; I387-Y392 HydrophobicContact CG2-CE1 3.95Å; I387-Y392 WeakPolarHBondContact O-CE1 3.38Å; I387-A395 HydrophobicContact CG1-CB 3.94Å; I387-Y399 HydrophobicContact CD1-CE2 3.9Å; I387-Y399 HydrophobicContact CG1-CE2 4.35Å; I387-T418 HydrophobicContact CD1-CG2 4.16Å; I387-A419 HydrophobicContact CD1-CB 4.01Å; I387-A419 HydrophobicContact CG1-CB 4.11Å; I387-F1019 HydrophobicContact CG2-CE1 4.07Å; I387-F1019 HydrophobicContact CG2-CZ 4.22Å |
| 388 | E | 86.7 | Confident | 86.6 | Confident | 87 Ų | 87 | 52.4 Ų | 52.4 | 41% | 0.407 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.9 | -43 | 175.3 | -61.1 | 165.4 | -136.5 | 0 | 0 | 111.7 | S384 R385 K390 W1015 | S384-E388 PolarHBondContact O-N 3.47Å; S384-E388 VanDerWaalsContact O-N 3.14Å; R385-E388 WeakPolarHBondContact CA-OE1 3.47Å; E388-K390 PolarHBondContact O-N 2.84Å; E388-K390 VanDerWaalsContact O-N 3.17Å; E388-W1015 VanDerWaalsContact CD-CH2 3.45Å; E388-W1015 HydrophobicContact CG-CD2 4.26Å; E388-W1015 HydrophobicContact CG-CE3 4.29Å; E388-W1015 HydrophobicContact CG-CH2 3.49Å; E388-W1015 VanDerWaalsContact CG-CH2 3.49Å; E388-W1015 HydrophobicContact CG-CZ2 3.43Å; E388-W1015 VanDerWaalsContact CG-CZ2 3.43Å; E388-W1015 HydrophobicContact CG-CZ3 3.93Å; E388-W1015 WeakPolarHBondContact OE1-CZ2 3.38Å |
| 389 | A | 90.9 | Very high | 87.6 | Confident | 72 Ų | 72 | 45.6 Ų | 45.6 | 60% | 0.595 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 4.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R385 I387 A391 | R385-A389 VanDerWaalsContact O-CB 3.32Å; R385-A389 WeakPolarHBondContact O-CB 3.45Å; R385-A389 PolarHBondContact O-N 3.2Å; I387-A389 VanDerWaalsContact C-N 3.31Å; I387-A389 PolarHBondContact O-N 3.32Å; A389-A391 PolarHBondContact O-N 3Å; A389-A391 VanDerWaalsContact O-N 3.16Å |
| 390 | K | 91 | Very high | 88.7 | Confident | 158 Ų | 158 | 45.4 Ų | 45.4 | 69% | 0.687 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | 17.8 | -175.1 | -50.1 | -171.6 | 179.2 | -178.5 | 0 | 115 | L386 I387 E388 Y392 | L386-K390 PolarHBondContact O-N 2.88Å; I387-K390 WeakPolarHBondContact O-CA 3.41Å; I387-K390 PolarHBondContact O-N 3.35Å; E388-K390 PolarHBondContact O-N 2.84Å; E388-K390 VanDerWaalsContact O-N 3.17Å; K390-Y392 HydrophobicContact CB-CE1 4.41Å; K390-Y392 HydrophobicContact CB-CE2 4.08Å; K390-Y392 PolarHBondContact O-N 3.13Å |
| 391 | A | 92 | Very high | 89.4 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 26% | 0.256 | 25% | 0.245 | S | C | . | . | trans | -84.9 | 53.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L386 A389 A393 V394 A395 | L386-A391 HydrophobicContact CB-CB 4.46Å; L386-A391 HydrophobicContact CD2-CB 4.2Å; L386-A391 PolarHBondContact O-N 2.74Å; A389-A391 PolarHBondContact O-N 3Å; A389-A391 VanDerWaalsContact O-N 3.16Å; A391-A393 PolarHBondContact O-N 2.93Å; A391-V394 HydrophobicContact CB-CB 4.38Å; A391-V394 PolarHBondContact O-N 3.28Å; A391-A395 PolarHBondContact O-N 2.79Å | ||
| 392 | Y | 93.7 | Very high | 89.9 | Confident | 49 Ų | 49 | 44.7 Ų | 44.7 | 19% | 0.192 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | -164.3 | -52.5 | -53.6 | 0 | 0 | 0 | 114 | I387 K390 V394 A395 V396 K422 | I387-Y392 HydrophobicContact CG2-CD1 4.27Å; I387-Y392 HydrophobicContact CG2-CE1 3.95Å; I387-Y392 WeakPolarHBondContact O-CE1 3.38Å; K390-Y392 HydrophobicContact CB-CE1 4.41Å; K390-Y392 HydrophobicContact CB-CE2 4.08Å; K390-Y392 PolarHBondContact O-N 3.13Å; Y392-V394 VanDerWaalsContact C-N 3.33Å; Y392-V394 PolarHBondContact O-N 2.89Å; Y392-A395 WeakPolarHBondContact O-CB 3.22Å; Y392-A395 PolarHBondContact O-N 2.99Å; Y392-V396 WeakPolarHBondContact O-CG2 3.25Å; Y392-V396 PolarHBondContact O-N 3.32Å; Y392-K422 HydrophobicContact CD1-CB 3.68Å; Y392-K422 HydrophobicContact CD2-CB 3.95Å; Y392-K422 HydrophobicContact CE1-CB 3.61Å; Y392-K422 HydrophobicContact CE1-CG 4.07Å; Y392-K422 HydrophobicContact CE2-CB 3.88Å; Y392-K422 HydrophobicContact CG-CB 3.86Å |
| 393 | A | 92.5 | Very high | 90.5 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 12% | 0.116 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.2 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A391 H397 W425 V781 | A391-A393 PolarHBondContact O-N 2.93Å; A393-H397 PolarHBondContact O-N 3.19Å; A393-H397 VanDerWaalsContact O-N 3.07Å; A393-W425 HydrophobicContact CB-CH2 4.25Å; A393-W425 HydrophobicContact CB-CZ2 4.11Å; A393-V781 HydrophobicContact CB-CG1 3.66Å; A393-V781 HydrophobicContact CB-CG2 4.35Å |
| 394 | V | 92.9 | Very high | 91 | Very high | 68 Ų | 68 | 45.5 Ų | 45.5 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -72.2 | -36.7 | 176.7 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | L386 A391 Y392 H397 K398 V781 | L386-V394 HydrophobicContact CD1-CG1 4.04Å; L386-V394 HydrophobicContact CD2-CG1 4.36Å; A391-V394 HydrophobicContact CB-CB 4.38Å; A391-V394 PolarHBondContact O-N 3.28Å; Y392-V394 VanDerWaalsContact C-N 3.33Å; Y392-V394 PolarHBondContact O-N 2.89Å; V394-H397 PolarHBondContact O-N 2.99Å; V394-K398 PolarHBondContact O-N 3.42Å; V394-V781 HydrophobicContact CG2-CG2 4.48Å |
| 395 | A | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -50 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L386 I387 A391 Y392 H397 K398 Y399 A419 | L386-A395 HydrophobicContact CB-CB 3.7Å; I387-A395 HydrophobicContact CG1-CB 3.94Å; A391-A395 PolarHBondContact O-N 2.79Å; Y392-A395 WeakPolarHBondContact O-CB 3.22Å; Y392-A395 PolarHBondContact O-N 2.99Å; A395-H397 PolarHBondContact O-N 2.96Å; A395-K398 PolarHBondContact O-N 3.43Å; A395-K398 VanDerWaalsContact O-N 3.08Å; A395-Y399 HydrophobicContact CB-CE2 4.42Å; A395-Y399 WeakPolarHBondContact O-CD2 3.47Å; A395-Y399 PolarHBondContact O-N 3.24Å; A395-A419 HydrophobicContact CB-CB 4.15Å |
| 396 | V | 94.1 | Very high | 91.3 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.7 | -47.7 | 175.9 | 172.2 | 0 | 0 | 0 | 0 | 111 | Y392 K398 Y399 N400 A419 L420 | Y392-V396 WeakPolarHBondContact O-CG2 3.25Å; Y392-V396 PolarHBondContact O-N 3.32Å; V396-K398 PolarHBondContact O-N 3.2Å; V396-Y399 PolarHBondContact O-N 3.02Å; V396-N400 WeakPolarHBondContact O-CB 3.37Å; V396-N400 VanDerWaalsContact O-CG 3.26Å; V396-N400 PolarHBondContact O-N 2.92Å; V396-N400 PolarHBondContact O-OD1 3.08Å; V396-A419 HydrophobicContact CG2-CB 3.69Å; V396-L420 HydrophobicContact CG1-CD2 4.02Å; V396-L420 HydrophobicContact CG2-CD2 3.9Å; V396-L420 HydrophobicContact CG2-CG 4.1Å |
| 397 | H | 93.6 | Very high | 91.3 | Very high | 65 Ų | 65 | 44.9 Ų | 44.9 | 30% | 0.301 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56.4 | -39.8 | 176.2 | -178.6 | 107.7 | 0 | 0 | 0 | 112.2 | A393 V394 A395 Q401 N727 | A393-H397 PolarHBondContact O-N 3.19Å; A393-H397 VanDerWaalsContact O-N 3.07Å; V394-H397 PolarHBondContact O-N 2.99Å; A395-H397 PolarHBondContact O-N 2.96Å; H397-Q401 PolarHBondContact CD2-NE2 3.37Å; H397-Q401 PolarHBondContact NE2-NE2 3.04Å; H397-Q401 WeakPolarHBondContact O-CG 3.26Å; H397-Q401 PolarHBondContact O-N 3Å; H397-N727 WeakPolarHBondContact CA-OD1 3.39Å; H397-N727 WeakPolarHBondContact ND1-CB 3.3Å; H397-N727 PolarHBondContact ND1-OD1 2.75Å; H397-N727 PolarHBondContact O-ND2 3.44Å |
| 398 | K | 92.5 | Very high | 91.3 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.4 | -43.2 | 177.8 | -164.4 | 70.7 | -156.4 | 162.1 | 0 | 112.4 | A383 L386 V394 A395 V396 N400 Q401 L402 | A383-K398 HydrophobicContact CB-CB 4.36Å; A383-K398 HydrophobicContact CB-CG 4.15Å; L386-K398 HydrophobicContact CD1-CB 4.24Å; V394-K398 PolarHBondContact O-N 3.42Å; A395-K398 PolarHBondContact O-N 3.43Å; A395-K398 VanDerWaalsContact O-N 3.08Å; V396-K398 PolarHBondContact O-N 3.2Å; K398-N400 VanDerWaalsContact C-N 3.31Å; K398-N400 PolarHBondContact O-N 2.87Å; K398-Q401 PolarHBondContact O-N 3.12Å; K398-L402 HydrophobicContact CG-CD1 4.33Å; K398-L402 WeakPolarHBondContact O-CG 3.39Å; K398-L402 PolarHBondContact O-N 3.1Å; K398-L402 VanDerWaalsContact O-N 3.1Å |
| 399 | Y | 93.7 | Very high | 91.4 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.3 | -37.5 | 174 | -76.3 | -69 | 0 | 0 | 0 | 112.2 | A383 S384 I387 A395 V396 Q401 L402 I403 L412 R416 A419 | A383-Y399 HydrophobicContact CB-CD1 4.14Å; A383-Y399 HydrophobicContact CB-CD2 4.15Å; A383-Y399 HydrophobicContact CB-CE1 3.72Å; A383-Y399 HydrophobicContact CB-CE2 3.71Å; A383-Y399 HydrophobicContact CB-CG 4.32Å; A383-Y399 VanDerWaalsContact CB-CZ 3.49Å; S384-Y399 PolarHBondContact N-OH 2.77Å; S384-Y399 PolarHBondContact OG-OH 2.87Å; I387-Y399 HydrophobicContact CD1-CE2 3.9Å; I387-Y399 HydrophobicContact CG1-CE2 4.35Å; A395-Y399 HydrophobicContact CB-CE2 4.42Å; A395-Y399 WeakPolarHBondContact O-CD2 3.47Å; A395-Y399 PolarHBondContact O-N 3.24Å; V396-Y399 PolarHBondContact O-N 3.02Å; Y399-Q401 PolarHBondContact O-N 2.96Å; Y399-L402 PolarHBondContact O-N 3.49Å; Y399-L402 VanDerWaalsContact O-N 3.12Å; Y399-I403 WeakPolarHBondContact O-CB 3.38Å; Y399-I403 WeakPolarHBondContact O-CG1 3.46Å; Y399-I403 PolarHBondContact O-N 2.69Å; Y399-L412 HydrophobicContact CD1-CD2 4.18Å; Y399-L412 HydrophobicContact CE1-CD2 4.34Å; Y399-R416 HydrophobicContact CD2-CB 4.43Å; Y399-R416 HydrophobicContact CG-CB 4.05Å; Y399-A419 HydrophobicContact CD2-CB 4.48Å |
| 400 | N | 94.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.5 | -46.4 | 174.6 | -75.2 | -8.6 | 0 | 0 | 0 | 112.2 | V396 K398 L402 Q404 R416 T725 N727 | V396-N400 WeakPolarHBondContact O-CB 3.37Å; V396-N400 VanDerWaalsContact O-CG 3.26Å; V396-N400 PolarHBondContact O-N 2.92Å; V396-N400 PolarHBondContact O-OD1 3.08Å; K398-N400 VanDerWaalsContact C-N 3.31Å; K398-N400 PolarHBondContact O-N 2.87Å; N400-L402 VanDerWaalsContact C-N 3.32Å; N400-L402 PolarHBondContact O-N 2.9Å; N400-Q404 PolarHBondContact O-N 3.04Å; N400-R416 WeakPolarHBondContact OD1-CD 3.49Å; N400-R416 PolarHBondContact OD1-NH1 3.07Å; N400-T725 VanDerWaalsContact CB-O 3.26Å; N400-T725 WeakPolarHBondContact CB-O 3.5Å; N400-T725 VanDerWaalsContact CG-O 3.26Å; N400-T725 PolarHBondContact ND2-O 3.24Å; N400-N727 WeakPolarHBondContact CB-OD1 3.33Å; N400-N727 PolarHBondContact ND2-OD1 3.3Å |
| 401 | Q | 91.5 | Very high | 90.9 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 25% | 0.252 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 174.5 | -66.6 | 177 | -0.7 | 0 | 0 | 112.2 | H397 K398 Y399 Q405 | H397-Q401 PolarHBondContact CD2-NE2 3.37Å; H397-Q401 PolarHBondContact NE2-NE2 3.04Å; H397-Q401 WeakPolarHBondContact O-CG 3.26Å; H397-Q401 PolarHBondContact O-N 3Å; K398-Q401 PolarHBondContact O-N 3.12Å; Y399-Q401 PolarHBondContact O-N 2.96Å; Q401-Q405 VanDerWaalsContact O-CG 3.29Å; Q401-Q405 WeakPolarHBondContact O-CG 3.31Å; Q401-Q405 PolarHBondContact O-N 2.68Å |
| 402 | L | 90.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -74.9 | -40.5 | -177.3 | -67.8 | 171.1 | 0 | 0 | 0 | 112.6 | A379 A383 K398 Y399 N400 Q404 Q405 H406 L412 | A379-L402 HydrophobicContact CB-CD1 3.96Å; A379-L402 HydrophobicContact CB-CD2 3.47Å; A379-L402 VanDerWaalsContact CB-CD2 3.47Å; A379-L402 HydrophobicContact CB-CG 4.33Å; A383-L402 HydrophobicContact CB-CD1 4.23Å; K398-L402 HydrophobicContact CG-CD1 4.33Å; K398-L402 WeakPolarHBondContact O-CG 3.39Å; K398-L402 PolarHBondContact O-N 3.1Å; K398-L402 VanDerWaalsContact O-N 3.1Å; Y399-L402 PolarHBondContact O-N 3.49Å; Y399-L402 VanDerWaalsContact O-N 3.12Å; N400-L402 VanDerWaalsContact C-N 3.32Å; N400-L402 PolarHBondContact O-N 2.9Å; L402-Q404 VanDerWaalsContact C-N 3.29Å; L402-Q404 PolarHBondContact O-N 3.02Å; L402-Q405 CarbonylContact O-C 3.56Å; L402-Q405 PolarHBondContact O-N 2.91Å; L402-Q405 VanDerWaalsContact O-N 3.09Å; L402-H406 PolarHBondContact O-N 2.94Å; L402-L412 HydrophobicContact CB-CD1 3.95Å; L402-L412 HydrophobicContact CB-CD2 4Å; L402-L412 HydrophobicContact CD1-CD2 4.22Å |
| 403 | I | 91.8 | Very high | 90.8 | Very high | 7 Ų | 7 | 34.5 Ų | 34.5 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 175.8 | -69.9 | 167.7 | 0 | 0 | 0 | 110.4 | Y399 Q405 H406 P407 L412 Y413 R416 | Y399-I403 WeakPolarHBondContact O-CB 3.38Å; Y399-I403 WeakPolarHBondContact O-CG1 3.46Å; Y399-I403 PolarHBondContact O-N 2.69Å; I403-Q405 VanDerWaalsContact C-N 3.28Å; I403-Q405 PolarHBondContact O-N 3.02Å; I403-H406 CarbonylContact O-C 3.41Å; I403-P407 WeakPolarHBondContact O-CA 3.41Å; I403-P407 WeakPolarHBondContact O-CB 3.34Å; I403-P407 WeakPolarHBondContact O-CD 3.34Å; I403-L412 HydrophobicContact CD1-CB 4.34Å; I403-L412 HydrophobicContact CG1-CB 3.65Å; I403-L412 HydrophobicContact CG1-CD1 4.29Å; I403-Y413 HydrophobicContact CD1-CD1 4.12Å; I403-Y413 HydrophobicContact CD1-CE1 4.31Å; I403-Y413 HydrophobicContact CD1-CG 4.45Å; I403-Y413 HydrophobicContact CG2-CE1 3.79Å; I403-Y413 HydrophobicContact CG2-CE2 4.4Å; I403-R416 HydrophobicContact CD1-CB 4.06Å |
| 404 | Q | 89.4 | Confident | 90.7 | Very high | 80 Ų | 80 | 34.2 Ų | 34.2 | 37% | 0.374 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.4 | -33.7 | 173.6 | -166.4 | -166.6 | 27.4 | 0 | 0 | 112.5 | N400 L402 T725 | N400-Q404 PolarHBondContact O-N 3.04Å; L402-Q404 VanDerWaalsContact C-N 3.29Å; L402-Q404 PolarHBondContact O-N 3.02Å; Q404-T725 HydrophobicContact CB-CG2 4.25Å; Q404-T725 HydrophobicContact CG-CG2 4.39Å |
| 405 | Q | 88 | Confident | 90.5 | Very high | 96 Ų | 96 | 31.5 Ų | 31.5 | 45% | 0.449 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -84 | -32.5 | -179.7 | -68.9 | 172.1 | 26.8 | 0 | 0 | 112.8 | Q401 L402 I403 | Q401-Q405 VanDerWaalsContact O-CG 3.29Å; Q401-Q405 WeakPolarHBondContact O-CG 3.31Å; Q401-Q405 PolarHBondContact O-N 2.68Å; L402-Q405 CarbonylContact O-C 3.56Å; L402-Q405 PolarHBondContact O-N 2.91Å; L402-Q405 VanDerWaalsContact O-N 3.09Å; I403-Q405 VanDerWaalsContact C-N 3.28Å; I403-Q405 PolarHBondContact O-N 3.02Å |
| 406 | H | 88.7 | Confident | 90.6 | Very high | 45 Ų | 45 | 33.7 Ų | 33.7 | 21% | 0.208 | 16% | 0.162 | C | C | . | . | trans | -136 | 62.3 | -174.2 | -56 | -52 | 0 | 0 | 0 | 111.8 | L402 I403 F408 C409 L412 | L402-H406 PolarHBondContact O-N 2.94Å; I403-H406 CarbonylContact O-C 3.41Å; H406-F408 PolarHBondContact O-N 3.42Å; H406-C409 PolarHBondContact O-N 3.38Å; H406-L412 HydrophobicContact CB-CD1 4Å | ||
| 407 | P | 88.6 | Confident | 90.6 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 11% | 0.11 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -4.6 | -171.2 | 26 | -35.5 | 0 | 0 | 0 | 115.4 | F350 I403 Y413 | F350-P407 HydrophobicContact CD2-CB 4.31Å; I403-P407 WeakPolarHBondContact O-CA 3.41Å; I403-P407 WeakPolarHBondContact O-CB 3.34Å; I403-P407 WeakPolarHBondContact O-CD 3.34Å; P407-Y413 WeakPolarHBondContact O-CE2 3.36Å; P407-Y413 PolarHBondContact O-OH 3.29Å |
| 408 | F | 88.5 | Confident | 90.5 | Very high | 100 Ų | 100 | 30.8 Ų | 30.8 | 44% | 0.439 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 7.3 | -179.1 | -46.3 | -52.5 | 0 | 0 | 0 | 113.4 | W349 H406 P410 L442 | W349-F408 HydrophobicContact CD2-CD1 4.34Å; W349-F408 AromaticContact CD2-CE1 3.65Å; W349-F408 HydrophobicContact CD2-CE1 3.65Å; W349-F408 HydrophobicContact CD2-CZ 4.06Å; W349-F408 AromaticContact CE3-CD1 3.81Å; W349-F408 HydrophobicContact CE3-CD1 3.81Å; W349-F408 HydrophobicContact CE3-CD2 4.45Å; W349-F408 AromaticContact CE3-CE1 3.1Å; W349-F408 HydrophobicContact CE3-CE1 3.1Å; W349-F408 AromaticContact CE3-CE2 3.83Å; W349-F408 HydrophobicContact CE3-CE2 3.83Å; W349-F408 HydrophobicContact CE3-CG 4.45Å; W349-F408 AromaticContact CE3-CZ 3.12Å; W349-F408 HydrophobicContact CE3-CZ 3.12Å; W349-F408 HydrophobicContact CG-CE1 4.33Å; W349-F408 AromaticContact CH2-CD1 3.73Å; W349-F408 HydrophobicContact CH2-CD1 3.73Å; W349-F408 HydrophobicContact CH2-CD2 4.47Å; W349-F408 AromaticContact CH2-CE1 3.94Å; W349-F408 HydrophobicContact CH2-CE1 3.94Å; W349-F408 HydrophobicContact CH2-CG 4.05Å; W349-F408 HydrophobicContact CH2-CZ 4.39Å; W349-F408 HydrophobicContact CZ2-CD1 4.33Å; W349-F408 HydrophobicContact CZ2-CE1 4.44Å; W349-F408 AromaticContact CZ3-CD1 3.46Å; W349-F408 HydrophobicContact CZ3-CD1 3.46Å; W349-F408 VanDerWaalsContact CZ3-CD1 3.46Å; W349-F408 AromaticContact CZ3-CD2 3.79Å; W349-F408 HydrophobicContact CZ3-CD2 3.79Å; W349-F408 AromaticContact CZ3-CE1 3.26Å; W349-F408 HydrophobicContact CZ3-CE1 3.26Å; W349-F408 AromaticContact CZ3-CE2 3.57Å; W349-F408 HydrophobicContact CZ3-CE2 3.57Å; W349-F408 AromaticContact CZ3-CG 3.76Å; W349-F408 HydrophobicContact CZ3-CG 3.76Å; W349-F408 AromaticContact CZ3-CZ 3.33Å; W349-F408 HydrophobicContact CZ3-CZ 3.33Å; H406-F408 PolarHBondContact O-N 3.42Å; F408-P410 WeakPolarHBondContact O-CD 3.49Å; F408-L442 HydrophobicContact CB-CD2 4.47Å; F408-L442 HydrophobicContact CD1-CD2 4.18Å |
| 409 | C | 87.4 | Confident | 90.6 | Very high | 30 Ų | 30 | 28.1 Ų | 28.1 | 20% | 0.203 | 14% | 0.138 | C | C | . | . | trans | -92 | 102.1 | 176.1 | -178.6 | 0 | 0 | 0 | 0 | 110.5 | H406 Q411 L412 Y413 | H406-C409 PolarHBondContact O-N 3.38Å; C409-Q411 PolarHBondContact O-N 3.12Å; C409-Q411 PolarHBondContact SG-OE1 3.21Å; C409-L412 HydrophobicContact CB-CD1 3.93Å; C409-L412 HydrophobicContact CB-CG 4.02Å; C409-L412 PolarHBondContact O-N 2.82Å; C409-Y413 WeakPolarHBondContact O-CD2 3.37Å | ||
| 410 | P | 86.9 | Confident | 90.7 | Very high | 9 Ų | 9 | 28.3 Ų | 28.3 | 6% | 0.058 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.2 | -25.3 | -176.6 | 25.9 | -35.2 | 0 | 0 | 0 | 113.5 | F408 L412 Y413 T414 A439 L442 T443 V469 | F408-P410 WeakPolarHBondContact O-CD 3.49Å; P410-L412 VanDerWaalsContact C-N 3.31Å; P410-L412 PolarHBondContact O-N 2.94Å; P410-Y413 PolarHBondContact O-N 3.47Å; P410-T414 PolarHBondContact O-N 3.44Å; P410-A439 HydrophobicContact CB-CB 4.15Å; P410-L442 HydrophobicContact CB-CB 4.13Å; P410-L442 HydrophobicContact CB-CD1 4.48Å; P410-T443 HydrophobicContact CB-CG2 3.84Å; P410-T443 HydrophobicContact CG-CG2 3.76Å; P410-V469 HydrophobicContact CB-CG1 3.83Å; P410-V469 HydrophobicContact CG-CG1 4.16Å |
| 411 | Q | 86 | Confident | 90.6 | Very high | 41 Ų | 41 | 28.5 Ų | 28.5 | 19% | 0.192 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59 | -40.1 | 176.7 | -65.8 | 76.1 | 1 | 0 | 0 | 111.9 | C409 Y413 T414 G415 V469 | C409-Q411 PolarHBondContact O-N 3.12Å; C409-Q411 PolarHBondContact SG-OE1 3.21Å; Q411-Y413 VanDerWaalsContact C-N 3.32Å; Q411-Y413 PolarHBondContact O-N 3.39Å; Q411-T414 WeakPolarHBondContact CA-OG1 3.28Å; Q411-T414 PolarHBondContact O-N 3.23Å; Q411-T414 PolarHBondContact O-OG1 3.14Å; Q411-G415 PolarHBondContact O-N 2.62Å; Q411-V469 HydrophobicContact CG-CG2 3.77Å |
| 412 | L | 90.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -39 | -179.8 | -65.3 | 178.4 | 0 | 0 | 0 | 111.8 | T380 Y399 L402 I403 H406 C409 P410 G415 R416 | T380-L412 HydrophobicContact CG2-CD2 4.19Å; T380-L412 WeakPolarHBondContact OG1-CD2 3.49Å; Y399-L412 HydrophobicContact CD1-CD2 4.18Å; Y399-L412 HydrophobicContact CE1-CD2 4.34Å; L402-L412 HydrophobicContact CB-CD1 3.95Å; L402-L412 HydrophobicContact CB-CD2 4Å; L402-L412 HydrophobicContact CD1-CD2 4.22Å; I403-L412 HydrophobicContact CD1-CB 4.34Å; I403-L412 HydrophobicContact CG1-CB 3.65Å; I403-L412 HydrophobicContact CG1-CD1 4.29Å; H406-L412 HydrophobicContact CB-CD1 4Å; C409-L412 HydrophobicContact CB-CD1 3.93Å; C409-L412 HydrophobicContact CB-CG 4.02Å; C409-L412 PolarHBondContact O-N 2.82Å; P410-L412 VanDerWaalsContact C-N 3.31Å; P410-L412 PolarHBondContact O-N 2.94Å; L412-G415 PolarHBondContact O-N 2.98Å; L412-R416 WeakPolarHBondContact O-CB 3.49Å; L412-R416 PolarHBondContact O-N 3.04Å |
| 413 | Y | 91.9 | Very high | 90.8 | Very high | 16 Ų | 16 | 30.5 Ų | 30.5 | 6% | 0.063 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67 | -43.7 | 175.7 | -65.2 | -86.9 | 0 | 0 | 0 | 111.5 | I403 P407 C409 P410 Q411 G415 R416 A417 D435 N438 L442 | I403-Y413 HydrophobicContact CD1-CD1 4.12Å; I403-Y413 HydrophobicContact CD1-CE1 4.31Å; I403-Y413 HydrophobicContact CD1-CG 4.45Å; I403-Y413 HydrophobicContact CG2-CE1 3.79Å; I403-Y413 HydrophobicContact CG2-CE2 4.4Å; P407-Y413 WeakPolarHBondContact O-CE2 3.36Å; P407-Y413 PolarHBondContact O-OH 3.29Å; C409-Y413 WeakPolarHBondContact O-CD2 3.37Å; P410-Y413 PolarHBondContact O-N 3.47Å; Q411-Y413 VanDerWaalsContact C-N 3.32Å; Q411-Y413 PolarHBondContact O-N 3.39Å; Y413-G415 VanDerWaalsContact C-N 3.32Å; Y413-G415 PolarHBondContact O-N 2.84Å; Y413-R416 PolarHBondContact O-N 3.31Å; Y413-A417 VanDerWaalsContact O-CB 3.31Å; Y413-A417 WeakPolarHBondContact O-CB 3.28Å; Y413-A417 PolarHBondContact O-N 3.08Å; Y413-D435 WeakPolarHBondContact CB-O 3.35Å; Y413-D435 HydrophobicContact CD1-CB 4.39Å; Y413-D435 WeakPolarHBondContact CD1-OD1 3.37Å; Y413-N438 HydrophobicContact CD1-CB 3.83Å; Y413-N438 HydrophobicContact CE1-CB 3.93Å; Y413-N438 HydrophobicContact CG-CB 4.21Å; Y413-L442 HydrophobicContact CD2-CD1 3.96Å; Y413-L442 HydrophobicContact CE2-CD1 3.57Å |
| 414 | T | 90.4 | Very high | 90.8 | Very high | 8 Ų | 8 | 35 Ų | 35 | 5% | 0.049 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -35.6 | 175.1 | 50.7 | 0 | 0 | 0 | 0 | 112.8 | P410 Q411 T418 A439 V469 T472 A473 | P410-T414 PolarHBondContact O-N 3.44Å; Q411-T414 WeakPolarHBondContact CA-OG1 3.28Å; Q411-T414 PolarHBondContact O-N 3.23Å; Q411-T414 PolarHBondContact O-OG1 3.14Å; T414-T418 WeakPolarHBondContact O-CB 3.35Å; T414-T418 PolarHBondContact O-N 2.92Å; T414-T418 VanDerWaalsContact O-N 3.1Å; T414-T418 PolarHBondContact O-OG1 3.49Å; T414-A439 HydrophobicContact CG2-CB 3.9Å; T414-V469 HydrophobicContact CG2-CG1 4.03Å; T414-T472 HydrophobicContact CG2-CG2 4.23Å; T414-A473 HydrophobicContact CG2-CB 3.87Å |
| 415 | G | 90.2 | Very high | 90.9 | Very high | 11 Ų | 11 | 32.6 Ų | 32.6 | 11% | 0.113 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66 | -43.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q411 L412 Y413 T418 A419 | Q411-G415 PolarHBondContact O-N 2.62Å; L412-G415 PolarHBondContact O-N 2.98Å; Y413-G415 VanDerWaalsContact C-N 3.32Å; Y413-G415 PolarHBondContact O-N 2.84Å; G415-T418 WeakPolarHBondContact O-CB 3.32Å; G415-T418 PolarHBondContact O-N 2.99Å; G415-A419 PolarHBondContact O-N 3.24Å |
| 416 | R | 94.1 | Very high | 90.9 | Very high | 46 Ų | 46 | 28.9 Ų | 28.9 | 17% | 0.174 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.8 | -46.8 | 175.5 | -168.5 | 170.5 | 67 | 175.9 | 0.1 | 112.3 | Y399 N400 I403 L412 Y413 T418 A419 L420 D435 | Y399-R416 HydrophobicContact CD2-CB 4.43Å; Y399-R416 HydrophobicContact CG-CB 4.05Å; N400-R416 WeakPolarHBondContact OD1-CD 3.49Å; N400-R416 PolarHBondContact OD1-NH1 3.07Å; I403-R416 HydrophobicContact CD1-CB 4.06Å; L412-R416 WeakPolarHBondContact O-CB 3.49Å; L412-R416 PolarHBondContact O-N 3.04Å; Y413-R416 PolarHBondContact O-N 3.31Å; R416-T418 PolarHBondContact O-N 2.76Å; R416-A419 PolarHBondContact O-N 2.75Å; R416-L420 HydrophobicContact CG-CD1 3.95Å; R416-L420 HydrophobicContact CG-CG 4.2Å; R416-L420 WeakPolarHBondContact O-CB 3.49Å; R416-L420 VanDerWaalsContact O-CG 3.31Å; R416-L420 WeakPolarHBondContact O-CG 3.22Å; R416-L420 PolarHBondContact O-N 3.36Å; R416-D435 WeakPolarHBondContact CB-OD2 3.17Å; R416-D435 WeakPolarHBondContact CG-OD2 3.49Å; R416-D435 IonicContact CZ-OD1 3.94Å; R416-D435 IonicContact CZ-OD2 3.85Å; R416-D435 IonicContact NE-OD1 2.83Å; R416-D435 PolarHBondContact NE-OD1 3.17Å; R416-D435 IonicContact NE-OD2 3.57Å; R416-D435 PolarHBondContact NE-OD2 3.21Å; R416-D435 IonicContact NH2-OD1 3.82Å; R416-D435 PolarHBondContact NH2-OD1 2.7Å; R416-D435 IonicContact NH2-OD2 2.81Å |
| 417 | A | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -53.2 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y413 L420 I421 A432 D435 | Y413-A417 VanDerWaalsContact O-CB 3.31Å; Y413-A417 WeakPolarHBondContact O-CB 3.28Å; Y413-A417 PolarHBondContact O-N 3.08Å; A417-L420 PolarHBondContact O-N 2.74Å; A417-I421 WeakPolarHBondContact O-CD1 3.35Å; A417-I421 VanDerWaalsContact O-CG1 3.22Å; A417-I421 WeakPolarHBondContact O-CG1 3.49Å; A417-I421 PolarHBondContact O-N 3.43Å; A417-A432 HydrophobicContact CB-CB 3.95Å; A417-D435 HydrophobicContact CB-CB 3.87Å |
| 418 | T | 92.2 | Very high | 91.3 | Very high | 12 Ų | 12 | 26.5 Ų | 26.5 | 7% | 0.074 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 175.9 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | I387 T414 G415 R416 I421 K422 F1019 | I387-T418 HydrophobicContact CD1-CG2 4.16Å; T414-T418 WeakPolarHBondContact O-CB 3.35Å; T414-T418 PolarHBondContact O-N 2.92Å; T414-T418 VanDerWaalsContact O-N 3.1Å; T414-T418 PolarHBondContact O-OG1 3.49Å; G415-T418 WeakPolarHBondContact O-CB 3.32Å; G415-T418 PolarHBondContact O-N 2.99Å; R416-T418 PolarHBondContact O-N 2.76Å; T418-I421 PolarHBondContact O-N 3Å; T418-K422 PolarHBondContact O-N 2.93Å; T418-F1019 HydrophobicContact CG2-CD1 4.08Å; T418-F1019 HydrophobicContact CG2-CD2 3.91Å; T418-F1019 HydrophobicContact CG2-CE1 3.46Å; T418-F1019 VanDerWaalsContact CG2-CE1 3.46Å; T418-F1019 HydrophobicContact CG2-CE2 3.27Å; T418-F1019 HydrophobicContact CG2-CG 4.32Å; T418-F1019 HydrophobicContact CG2-CZ 3.05Å |
| 419 | A | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I387 A395 V396 Y399 G415 R416 K422 R423 | I387-A419 HydrophobicContact CD1-CB 4.01Å; I387-A419 HydrophobicContact CG1-CB 4.11Å; A395-A419 HydrophobicContact CB-CB 4.15Å; V396-A419 HydrophobicContact CG2-CB 3.69Å; Y399-A419 HydrophobicContact CD2-CB 4.48Å; G415-A419 PolarHBondContact O-N 3.24Å; R416-A419 PolarHBondContact O-N 2.75Å; A419-K422 PolarHBondContact O-N 3.05Å; A419-R423 WeakPolarHBondContact O-CB 3.3Å; A419-R423 PolarHBondContact O-N 2.95Å |
| 420 | L | 95.3 | Very high | 91.9 | Very high | 7 Ų | 7 | 21.2 Ų | 21.2 | 4% | 0.037 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.5 | -48.3 | 175.4 | -71.6 | 168.3 | 0 | 0 | 0 | 111.8 | V396 R416 A417 K422 R423 N424 D428 N431 A432 | V396-L420 HydrophobicContact CG1-CD2 4.02Å; V396-L420 HydrophobicContact CG2-CD2 3.9Å; V396-L420 HydrophobicContact CG2-CG 4.1Å; R416-L420 HydrophobicContact CG-CD1 3.95Å; R416-L420 HydrophobicContact CG-CG 4.2Å; R416-L420 WeakPolarHBondContact O-CB 3.49Å; R416-L420 VanDerWaalsContact O-CG 3.31Å; R416-L420 WeakPolarHBondContact O-CG 3.22Å; R416-L420 PolarHBondContact O-N 3.36Å; A417-L420 PolarHBondContact O-N 2.74Å; L420-K422 PolarHBondContact O-N 2.75Å; L420-R423 PolarHBondContact O-N 2.87Å; L420-R423 VanDerWaalsContact O-N 3.13Å; L420-N424 PolarHBondContact O-N 3.3Å; L420-D428 HydrophobicContact CB-CB 4.18Å; L420-D428 HydrophobicContact CD2-CB 4.29Å; L420-D428 WeakPolarHBondContact CD2-OD1 3.49Å; L420-N431 HydrophobicContact CD1-CB 3.81Å; L420-A432 HydrophobicContact CB-CB 4.05Å; L420-A432 HydrophobicContact CD1-CB 4.36Å |
| 421 | I | 93.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 22 Ų | 22 | 8% | 0.082 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.5 | -36.2 | 176.9 | -66.8 | 159.5 | 0 | 0 | 0 | 111.6 | A417 T418 I429 A432 L476 Y483 | A417-I421 WeakPolarHBondContact O-CD1 3.35Å; A417-I421 VanDerWaalsContact O-CG1 3.22Å; A417-I421 WeakPolarHBondContact O-CG1 3.49Å; A417-I421 PolarHBondContact O-N 3.43Å; T418-I421 PolarHBondContact O-N 3Å; I421-I429 HydrophobicContact CG1-CD1 4.33Å; I421-I429 HydrophobicContact CG2-CD1 4.5Å; I421-A432 HydrophobicContact CD1-CB 4.2Å; I421-A432 HydrophobicContact CG1-CB 3.79Å; I421-L476 HydrophobicContact CD1-CD2 4.02Å; I421-Y483 HydrophobicContact CG2-CE2 4.02Å |
| 422 | K | 91.9 | Very high | 92.7 | Very high | 61 Ų | 61 | 20 Ų | 20 | 27% | 0.265 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -80 | -28.7 | 177.2 | -73 | -70.7 | -171.1 | 172.6 | 0 | 113.7 | Y392 T418 A419 L420 D1018 F1019 | Y392-K422 HydrophobicContact CD1-CB 3.68Å; Y392-K422 HydrophobicContact CD2-CB 3.95Å; Y392-K422 HydrophobicContact CE1-CB 3.61Å; Y392-K422 HydrophobicContact CE1-CG 4.07Å; Y392-K422 HydrophobicContact CE2-CB 3.88Å; Y392-K422 HydrophobicContact CG-CB 3.86Å; T418-K422 PolarHBondContact O-N 2.93Å; A419-K422 PolarHBondContact O-N 3.05Å; L420-K422 PolarHBondContact O-N 2.75Å; K422-D1018 PolarHBondContact NZ-O 3.22Å; K422-D1018 VanDerWaalsContact NZ-O 3.11Å; K422-F1019 VanDerWaalsContact CE-CD1 3.44Å |
| 423 | R | 93 | Very high | 92.9 | Very high | 38 Ų | 38 | 20 Ų | 20 | 14% | 0.143 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.7 | -39.7 | 173.9 | -173.1 | 177.6 | 77.5 | 155.6 | -3 | 111.7 | A419 L420 W425 D428 | A419-R423 WeakPolarHBondContact O-CB 3.3Å; A419-R423 PolarHBondContact O-N 2.95Å; L420-R423 PolarHBondContact O-N 2.87Å; L420-R423 VanDerWaalsContact O-N 3.13Å; R423-W425 VanDerWaalsContact C-N 3.32Å; R423-W425 HydrophobicContact CG-CD2 3.9Å; R423-W425 HydrophobicContact CG-CG 3.83Å; R423-W425 HydrophobicContact CG-CZ2 4.21Å; R423-W425 VanDerWaalsContact O-CD1 3.23Å; R423-W425 PolarHBondContact O-N 2.98Å; R423-D428 IonicContact CZ-OD1 3.63Å; R423-D428 IonicContact CZ-OD2 2.75Å; R423-D428 IonicContact NE-OD1 3.2Å; R423-D428 IonicContact NE-OD2 3.88Å; R423-D428 PolarHBondContact NE-OD2 3.44Å; R423-D428 IonicContact NH2-OD1 2.93Å; R423-D428 PolarHBondContact NH2-OD1 2.64Å; R423-D428 IonicContact NH2-OD2 3.41Å; R423-D428 PolarHBondContact NH2-OD2 3.19Å |
| 424 | N | 91.3 | Very high | 93 | Very high | 103 Ų | 103 | 20.8 Ų | 20.8 | 55% | 0.551 | 11% | 0.105 | S | C | * | . | trans | 53.3 | 41.2 | 172.1 | -164.8 | 57.5 | 0 | 0 | 0 | 114.4 | L420 | L420-N424 PolarHBondContact O-N 3.3Š| ||
| 425 | W | 92.5 | Very high | 93.1 | Very high | 29 Ų | 29 | 20.6 Ų | 20.6 | 11% | 0.11 | 10% | 0.104 | C | C | . | . | trans | -83.2 | 169.9 | 169.2 | -64.3 | 2.5 | 0 | 0 | 0 | 110.9 | A393 R423 G427 D428 V687 A784 E785 Q788 | A393-W425 HydrophobicContact CB-CH2 4.25Å; A393-W425 HydrophobicContact CB-CZ2 4.11Å; R423-W425 VanDerWaalsContact C-N 3.32Å; R423-W425 HydrophobicContact CG-CD2 3.9Å; R423-W425 HydrophobicContact CG-CG 3.83Å; R423-W425 HydrophobicContact CG-CZ2 4.21Å; R423-W425 VanDerWaalsContact O-CD1 3.23Å; R423-W425 PolarHBondContact O-N 2.98Å; W425-G427 PolarHBondContact O-N 2.81Å; W425-D428 WeakPolarHBondContact CB-OD2 3.45Å; W425-D428 PolarHBondContact N-OD2 3.05Å; W425-D428 VanDerWaalsContact O-CB 3.28Å; W425-D428 WeakPolarHBondContact O-CB 3.3Å; W425-D428 PolarHBondContact O-N 2.87Å; W425-V687 HydrophobicContact CE3-CG1 3.62Å; W425-V687 HydrophobicContact CZ3-CG1 4.27Å; W425-A784 HydrophobicContact CH2-CB 3.55Å; W425-A784 HydrophobicContact CZ3-CB 3.69Å; W425-E785 HydrophobicContact CH2-CG 4.31Å; W425-E785 HydrophobicContact CZ2-CB 4.5Å; W425-E785 HydrophobicContact CZ2-CG 3.38Å; W425-Q788 HydrophobicContact CB-CG 4.03Å; W425-Q788 HydrophobicContact CD2-CG 3.75Å; W425-Q788 HydrophobicContact CE3-CG 3.8Å; W425-Q788 HydrophobicContact CG-CB 4.34Å; W425-Q788 HydrophobicContact CG-CG 3.82Å | ||
| 426 | N | 88.4 | Confident | 93.3 | Very high | 17 Ų | 17 | 20 Ų | 20 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 132.9 | 178.9 | -72.3 | -4.3 | 0 | 0 | 0 | 110.7 | N304 D428 N792 | N304-N426 PolarHBondContact ND2-O 2.91Å; N426-D428 VanDerWaalsContact C-N 3.28Å; N426-D428 PolarHBondContact O-N 3.27Å; N426-N792 PolarHBondContact ND2-OD1 3.41Å; N426-N792 PolarHBondContact OD1-ND2 3.07Å; N426-N792 PolarHBondContact OD1-OD1 3.21Å |
| 427 | G | 90.2 | Very high | 93.2 | Very high | 12 Ų | 12 | 21.7 Ų | 21.7 | 12% | 0.124 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -13.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | W425 I429 Y430 N431 | W425-G427 PolarHBondContact O-N 2.81Å; G427-I429 PolarHBondContact O-N 3.45Å; G427-Y430 PolarHBondContact O-N 3.3Å; G427-N431 PolarHBondContact O-N 3.48Å; G427-N431 PolarHBondContact O-ND2 3.4Å |
| 428 | D | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.4 | -42.1 | -173.1 | -83.1 | -4.5 | 0 | 0 | 0 | 113.7 | L420 R423 W425 N426 Y430 N431 A432 | L420-D428 HydrophobicContact CB-CB 4.18Å; L420-D428 HydrophobicContact CD2-CB 4.29Å; L420-D428 WeakPolarHBondContact CD2-OD1 3.49Å; R423-D428 IonicContact CZ-OD1 3.63Å; R423-D428 IonicContact CZ-OD2 2.75Å; R423-D428 IonicContact NE-OD1 3.2Å; R423-D428 IonicContact NE-OD2 3.88Å; R423-D428 PolarHBondContact NE-OD2 3.44Å; R423-D428 IonicContact NH2-OD1 2.93Å; R423-D428 PolarHBondContact NH2-OD1 2.64Å; R423-D428 IonicContact NH2-OD2 3.41Å; R423-D428 PolarHBondContact NH2-OD2 3.19Å; W425-D428 WeakPolarHBondContact CB-OD2 3.45Å; W425-D428 PolarHBondContact N-OD2 3.05Å; W425-D428 VanDerWaalsContact O-CB 3.28Å; W425-D428 WeakPolarHBondContact O-CB 3.3Å; W425-D428 PolarHBondContact O-N 2.87Å; N426-D428 VanDerWaalsContact C-N 3.28Å; N426-D428 PolarHBondContact O-N 3.27Å; D428-Y430 PolarHBondContact O-N 3.43Å; D428-N431 PolarHBondContact O-N 3.03Å; D428-A432 VanDerWaalsContact O-CB 3.31Å; D428-A432 WeakPolarHBondContact O-CB 3.34Å; D428-A432 PolarHBondContact O-N 2.99Å |
| 429 | I | 94.5 | Very high | 93 | Very high | 18 Ų | 18 | 23.8 Ų | 23.8 | 9% | 0.092 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.8 | -36.2 | 177.4 | -58.1 | -54.4 | 0 | 0 | 0 | 111.2 | I421 G427 L433 C480 Y483 L484 | I421-I429 HydrophobicContact CG1-CD1 4.33Å; I421-I429 HydrophobicContact CG2-CD1 4.5Å; G427-I429 PolarHBondContact O-N 3.45Å; I429-L433 PolarHBondContact O-N 3.13Å; I429-C480 HydrophobicContact CG2-CB 3.99Å; I429-C480 WeakPolarHBondContact CG2-O 3.31Å; I429-Y483 HydrophobicContact CD1-CD2 3.91Å; I429-Y483 HydrophobicContact CD1-CE2 4.38Å; I429-Y483 HydrophobicContact CD1-CG 4.4Å; I429-Y483 HydrophobicContact CG2-CD2 4.37Å; I429-Y483 HydrophobicContact CG2-CG 4.45Å; I429-L484 HydrophobicContact CB-CD2 4.47Å; I429-L484 HydrophobicContact CG2-CD1 4.21Å; I429-L484 HydrophobicContact CG2-CD2 4.1Å; I429-L484 HydrophobicContact CG2-CG 3.76Å |
| 430 | Y | 94.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -76 | -42.5 | 177.8 | -170.4 | -111 | 0 | 0 | 0 | 111.9 | S266 H267 F317 G427 D428 A432 L433 L434 L484 W486 D681 F682 | S266-Y430 WeakPolarHBondContact CB-OH 3.38Å; S266-Y430 PolarHBondContact OG-OH 3.09Å; H267-Y430 HydrophobicContact CB-CD2 4.02Å; H267-Y430 HydrophobicContact CB-CG 3.92Å; H267-Y430 AromaticContact CE1-CD1 3.81Å; H267-Y430 AromaticContact CG-CG 3.79Å; H267-Y430 AromaticContact ND1-CD1 3.16Å; H267-Y430 WeakPolarHBondContact ND1-CD1 3.44Å; H267-Y430 AromaticContact ND1-CE1 3.92Å; H267-Y430 AromaticContact ND1-CG 3.32Å; H267-Y430 VanDerWaalsContact ND1-CG 3.32Å; F317-Y430 HydrophobicContact CB-CE2 4.41Å; G427-Y430 PolarHBondContact O-N 3.3Å; D428-Y430 PolarHBondContact O-N 3.43Å; Y430-A432 VanDerWaalsContact C-N 3.28Å; Y430-A432 PolarHBondContact O-N 2.88Å; Y430-L433 HydrophobicContact CD2-CD2 4.21Å; Y430-L433 HydrophobicContact CE2-CD2 4.21Å; Y430-L433 WeakPolarHBondContact O-CB 3.2Å; Y430-L433 PolarHBondContact O-N 3.36Å; Y430-L433 VanDerWaalsContact O-N 3.12Å; Y430-L434 HydrophobicContact CD1-CD1 4.13Å; Y430-L434 HydrophobicContact CD1-CG 4.43Å; Y430-L434 HydrophobicContact CE1-CD1 3.76Å; Y430-L434 HydrophobicContact CE1-CD2 4.29Å; Y430-L434 HydrophobicContact CE1-CG 4.06Å; Y430-L434 WeakPolarHBondContact O-CG 3.45Å; Y430-L434 PolarHBondContact O-N 2.82Å; Y430-L484 HydrophobicContact CD2-CD1 4Å; Y430-W486 AromaticContact CD2-CH2 3.87Å; Y430-W486 HydrophobicContact CD2-CH2 3.87Å; Y430-W486 HydrophobicContact CD2-CZ3 4.24Å; Y430-W486 AromaticContact CE2-CH2 3.43Å; Y430-W486 HydrophobicContact CE2-CH2 3.43Å; Y430-W486 VanDerWaalsContact CE2-CH2 3.43Å; Y430-W486 AromaticContact CE2-CZ3 3.77Å; Y430-W486 HydrophobicContact CE2-CZ3 3.77Å; Y430-D681 VanDerWaalsContact CE1-OD2 3.24Å; Y430-D681 WeakPolarHBondContact CE1-OD2 3.41Å; Y430-D681 VanDerWaalsContact CZ-OD2 3.29Å; Y430-D681 PolarHBondContact OH-OD2 2.79Å; Y430-F682 AromaticContact CD1-CE1 3.63Å; Y430-F682 HydrophobicContact CD1-CE1 3.63Å; Y430-F682 AromaticContact CD1-CZ 3.79Å; Y430-F682 HydrophobicContact CD1-CZ 3.79Å; Y430-F682 AromaticContact CE1-CE1 3.63Å; Y430-F682 HydrophobicContact CE1-CE1 3.63Å; Y430-F682 HydrophobicContact CE1-CZ 4.04Å |
| 431 | N | 94.2 | Very high | 92.5 | Very high | 25 Ų | 25 | 28.6 Ų | 28.6 | 13% | 0.134 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.3 | -41.2 | 171.2 | -75.4 | -41 | 0 | 0 | 0 | 111.5 | L420 G427 D428 L434 D435 F682 S685 | L420-N431 HydrophobicContact CD1-CB 3.81Å; G427-N431 PolarHBondContact O-N 3.48Å; G427-N431 PolarHBondContact O-ND2 3.4Å; D428-N431 PolarHBondContact O-N 3.03Å; N431-L434 PolarHBondContact O-N 2.88Å; N431-D435 PolarHBondContact O-N 3.12Å; N431-F682 WeakPolarHBondContact OD1-CE2 3.31Å; N431-F682 WeakPolarHBondContact OD1-CZ 3.4Å; N431-S685 PolarHBondContact ND2-OG 3.42Å; N431-S685 VanDerWaalsContact ND2-OG 3.08Å; N431-S685 PolarHBondContact OD1-OG 3.01Å |
| 432 | A | 95.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -38.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A417 L420 I421 D428 Y430 D435 C436 | A417-A432 HydrophobicContact CB-CB 3.95Å; L420-A432 HydrophobicContact CB-CB 4.05Å; L420-A432 HydrophobicContact CD1-CB 4.36Å; I421-A432 HydrophobicContact CD1-CB 4.2Å; I421-A432 HydrophobicContact CG1-CB 3.79Å; D428-A432 VanDerWaalsContact O-CB 3.31Å; D428-A432 WeakPolarHBondContact O-CB 3.34Å; D428-A432 PolarHBondContact O-N 2.99Å; Y430-A432 VanDerWaalsContact C-N 3.28Å; Y430-A432 PolarHBondContact O-N 2.88Å; A432-D435 PolarHBondContact O-N 3.33Å; A432-C436 PolarHBondContact O-N 3.32Å; A432-C436 PolarHBondContact O-SG 3.29Å |
| 433 | L | 94.7 | Very high | 92 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 173.5 | 179.2 | 62.6 | 0 | 0 | 0 | 112.1 | F317 I429 Y430 C436 R437 C480 L481 L484 W486 | F317-L433 HydrophobicContact CD2-CD2 4.09Å; F317-L433 HydrophobicContact CD2-CG 4.41Å; F317-L433 HydrophobicContact CE2-CD1 4.26Å; F317-L433 HydrophobicContact CE2-CD2 4.24Å; F317-L433 HydrophobicContact CE2-CG 4.39Å; F317-L433 HydrophobicContact CG-CD2 4.29Å; I429-L433 PolarHBondContact O-N 3.13Å; Y430-L433 HydrophobicContact CD2-CD2 4.21Å; Y430-L433 HydrophobicContact CE2-CD2 4.21Å; Y430-L433 WeakPolarHBondContact O-CB 3.2Å; Y430-L433 PolarHBondContact O-N 3.36Å; Y430-L433 VanDerWaalsContact O-N 3.12Å; L433-C436 PolarHBondContact O-N 3.21Å; L433-R437 PolarHBondContact O-N 3.06Å; L433-C480 HydrophobicContact CB-CB 3.89Å; L433-C480 HydrophobicContact CD1-CB 4.29Å; L433-L481 HydrophobicContact CD1-CD1 4.49Å; L433-L481 HydrophobicContact CD1-CD2 4Å; L433-L481 HydrophobicContact CD1-CG 3.92Å; L433-L481 HydrophobicContact CD2-CD2 3.57Å; L433-L481 HydrophobicContact CD2-CG 4.33Å; L433-L481 HydrophobicContact CG-CD2 4.46Å; L433-L484 HydrophobicContact CD2-CD1 3.9Å; L433-W486 HydrophobicContact CD2-CE3 3.98Å; L433-W486 HydrophobicContact CD2-CZ3 3.7Å |
| 434 | L | 93.3 | Very high | 91.6 | Very high | 32 Ų | 32 | 26.9 Ų | 26.9 | 17% | 0.168 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64 | -41.1 | 174.8 | -66.5 | 178.4 | 0 | 0 | 0 | 111.5 | Y430 N431 R437 N438 F682 | Y430-L434 HydrophobicContact CD1-CD1 4.13Å; Y430-L434 HydrophobicContact CD1-CG 4.43Å; Y430-L434 HydrophobicContact CE1-CD1 3.76Å; Y430-L434 HydrophobicContact CE1-CD2 4.29Å; Y430-L434 HydrophobicContact CE1-CG 4.06Å; Y430-L434 WeakPolarHBondContact O-CG 3.45Å; Y430-L434 PolarHBondContact O-N 2.82Å; N431-L434 PolarHBondContact O-N 2.88Å; L434-R437 WeakPolarHBondContact O-CB 3.49Å; L434-R437 PolarHBondContact O-N 2.66Å; L434-N438 PolarHBondContact O-N 3.42Å; L434-N438 PolarHBondContact O-ND2 3.46Å; L434-F682 HydrophobicContact CD1-CE2 4.19Å; L434-F682 HydrophobicContact CD1-CZ 4Å |
| 435 | D | 94 | Very high | 91 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 173.5 | -81.9 | -10 | 0 | 0 | 0 | 112.5 | Y413 R416 A417 N431 A432 R437 N438 A439 | Y413-D435 WeakPolarHBondContact CB-O 3.35Å; Y413-D435 HydrophobicContact CD1-CB 4.39Å; Y413-D435 WeakPolarHBondContact CD1-OD1 3.37Å; R416-D435 WeakPolarHBondContact CB-OD2 3.17Å; R416-D435 WeakPolarHBondContact CG-OD2 3.49Å; R416-D435 IonicContact CZ-OD1 3.94Å; R416-D435 IonicContact CZ-OD2 3.85Å; R416-D435 IonicContact NE-OD1 2.83Å; R416-D435 PolarHBondContact NE-OD1 3.17Å; R416-D435 IonicContact NE-OD2 3.57Å; R416-D435 PolarHBondContact NE-OD2 3.21Å; R416-D435 IonicContact NH2-OD1 3.82Å; R416-D435 PolarHBondContact NH2-OD1 2.7Å; R416-D435 IonicContact NH2-OD2 2.81Å; A417-D435 HydrophobicContact CB-CB 3.87Å; N431-D435 PolarHBondContact O-N 3.12Å; A432-D435 PolarHBondContact O-N 3.33Å; D435-R437 VanDerWaalsContact C-N 3.33Å; D435-R437 PolarHBondContact O-N 2.81Å; D435-N438 PolarHBondContact O-N 3.37Å; D435-A439 PolarHBondContact O-N 3.37Å |
| 436 | C | 93.8 | Very high | 90 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 173.5 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | A432 L433 A439 I440 A473 L476 | A432-C436 PolarHBondContact O-N 3.32Å; A432-C436 PolarHBondContact O-SG 3.29Å; L433-C436 PolarHBondContact O-N 3.21Å; C436-A439 PolarHBondContact O-N 3.45Å; C436-I440 WeakPolarHBondContact O-CB 3.39Å; C436-I440 WeakPolarHBondContact O-CD1 3.49Å; C436-I440 VanDerWaalsContact O-CG1 3.23Å; C436-I440 WeakPolarHBondContact O-CG1 3.48Å; C436-I440 PolarHBondContact O-N 2.89Å; C436-A473 HydrophobicContact CB-CB 4.47Å; C436-A473 WeakPolarHBondContact CB-O 3.36Å; C436-L476 VanDerWaalsContact SG-CB 3.5Å |
| 437 | R | 92.3 | Very high | 88.8 | Confident | 81 Ų | 81 | 27.3 Ų | 27.3 | 31% | 0.306 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 174.2 | -175.9 | -179.1 | -179.3 | 179.1 | 1.2 | 111.3 | E315 L433 L434 D435 I440 Q441 | E315-R437 PolarHBondContact O-NH1 3.23Å; L433-R437 PolarHBondContact O-N 3.06Å; L434-R437 WeakPolarHBondContact O-CB 3.49Å; L434-R437 PolarHBondContact O-N 2.66Å; D435-R437 VanDerWaalsContact C-N 3.33Å; D435-R437 PolarHBondContact O-N 2.81Å; R437-I440 PolarHBondContact O-N 3.27Å; R437-Q441 WeakPolarHBondContact O-CG 3.25Å; R437-Q441 PolarHBondContact O-N 3.24Å |
| 438 | N | 90.6 | Very high | 87.5 | Confident | 56 Ų | 56 | 32.3 Ų | 32.3 | 30% | 0.299 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.9 | -45.4 | 176.6 | -68.4 | -28 | 0 | 0 | 0 | 111.7 | Y413 L434 D435 I440 Q441 L442 | Y413-N438 HydrophobicContact CD1-CB 3.83Å; Y413-N438 HydrophobicContact CE1-CB 3.93Å; Y413-N438 HydrophobicContact CG-CB 4.21Å; L434-N438 PolarHBondContact O-N 3.42Å; L434-N438 PolarHBondContact O-ND2 3.46Å; D435-N438 PolarHBondContact O-N 3.37Å; N438-I440 PolarHBondContact O-N 3.1Å; N438-Q441 PolarHBondContact O-N 3.25Å; N438-L442 WeakPolarHBondContact O-CG 3.19Å; N438-L442 PolarHBondContact O-N 3.1Å |
| 439 | A | 90.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P410 T414 D435 C436 T443 A473 | P410-A439 HydrophobicContact CB-CB 4.15Å; T414-A439 HydrophobicContact CG2-CB 3.9Å; D435-A439 PolarHBondContact O-N 3.37Å; C436-A439 PolarHBondContact O-N 3.45Å; A439-T443 WeakPolarHBondContact O-CB 3.45Å; A439-T443 WeakPolarHBondContact O-CG2 3.44Å; A439-T443 PolarHBondContact O-N 2.93Å; A439-T443 PolarHBondContact O-OG1 3.03Å; A439-A473 HydrophobicContact CB-CB 3.88Å |
| 440 | I | 90.5 | Very high | 83.7 | Confident | 25 Ų | 25 | 38.9 Ų | 38.9 | 13% | 0.128 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.3 | -73.6 | 165.1 | 0 | 0 | 0 | 111.5 | C436 R437 N438 T443 T444 Y470 A473 L474 | C436-I440 WeakPolarHBondContact O-CB 3.39Å; C436-I440 WeakPolarHBondContact O-CD1 3.49Å; C436-I440 VanDerWaalsContact O-CG1 3.23Å; C436-I440 WeakPolarHBondContact O-CG1 3.48Å; C436-I440 PolarHBondContact O-N 2.89Å; R437-I440 PolarHBondContact O-N 3.27Å; N438-I440 PolarHBondContact O-N 3.1Å; I440-T443 WeakPolarHBondContact CA-OG1 3.08Å; I440-T443 PolarHBondContact O-OG1 3.27Å; I440-T443 VanDerWaalsContact O-OG1 3.12Å; I440-T444 WeakPolarHBondContact O-CB 3.34Å; I440-T444 VanDerWaalsContact O-CG2 3.32Å; I440-T444 WeakPolarHBondContact O-CG2 3.49Å; I440-T444 PolarHBondContact O-N 2.91Å; I440-T444 VanDerWaalsContact O-N 3.1Å; I440-T444 PolarHBondContact O-OG1 3.15Å; I440-Y470 HydrophobicContact CG1-CD2 4.44Å; I440-Y470 HydrophobicContact CG2-CE2 3.99Å; I440-A473 HydrophobicContact CD1-CB 4.26Å; I440-A473 HydrophobicContact CG1-CB 3.76Å; I440-L474 HydrophobicContact CD1-CD2 3.73Å; I440-L474 HydrophobicContact CD1-CG 4.13Å; I440-L474 HydrophobicContact CG1-CD2 4.47Å; I440-L474 HydrophobicContact CG1-CG 4.49Å |
| 441 | Q | 89.8 | Confident | 81.2 | Confident | 82 Ų | 82 | 46.3 Ų | 46.3 | 38% | 0.383 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.4 | -45.1 | 178.1 | -74.7 | 178.1 | -11.5 | 0 | 0 | 112.5 | R437 N438 T444 Q445 | R437-Q441 WeakPolarHBondContact O-CG 3.25Å; R437-Q441 PolarHBondContact O-N 3.24Å; N438-Q441 PolarHBondContact O-N 3.25Å; Q441-T444 PolarHBondContact O-N 2.75Å; Q441-T444 PolarHBondContact O-OG1 2.75Å; Q441-T444 VanDerWaalsContact O-OG1 3.04Å; Q441-Q445 WeakPolarHBondContact O-CB 3.3Å; Q441-Q445 VanDerWaalsContact O-CG 3.28Å; Q441-Q445 WeakPolarHBondContact O-CG 3.45Å; Q441-Q445 PolarHBondContact O-N 2.84Å |
| 442 | L | 88.7 | Confident | 78.7 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 15% | 0.147 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 178.4 | -70.2 | 170.5 | 0 | 0 | 0 | 112 | F408 P410 Y413 N438 Q445 S446 | F408-L442 HydrophobicContact CB-CD2 4.47Å; F408-L442 HydrophobicContact CD1-CD2 4.18Å; P410-L442 HydrophobicContact CB-CB 4.13Å; P410-L442 HydrophobicContact CB-CD1 4.48Å; Y413-L442 HydrophobicContact CD2-CD1 3.96Å; Y413-L442 HydrophobicContact CE2-CD1 3.57Å; N438-L442 WeakPolarHBondContact O-CG 3.19Å; N438-L442 PolarHBondContact O-N 3.1Å; L442-Q445 PolarHBondContact O-N 3.45Å; L442-S446 PolarHBondContact O-N 3.14Å; L442-S446 PolarHBondContact O-OG 3.01Å |
| 443 | T | 85.2 | Confident | 76.1 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 177.2 | 45.9 | 0 | 0 | 0 | 0 | 112 | P410 A439 I440 S446 N447 V469 Y470 | P410-T443 HydrophobicContact CB-CG2 3.84Å; P410-T443 HydrophobicContact CG-CG2 3.76Å; A439-T443 WeakPolarHBondContact O-CB 3.45Å; A439-T443 WeakPolarHBondContact O-CG2 3.44Å; A439-T443 PolarHBondContact O-N 2.93Å; A439-T443 PolarHBondContact O-OG1 3.03Å; I440-T443 WeakPolarHBondContact CA-OG1 3.08Å; I440-T443 PolarHBondContact O-OG1 3.27Å; I440-T443 VanDerWaalsContact O-OG1 3.12Å; T443-S446 PolarHBondContact O-N 2.84Å; T443-S446 PolarHBondContact O-OG 3.48Å; T443-N447 PolarHBondContact O-N 3.3Å; T443-N447 VanDerWaalsContact O-N 3.12Å; T443-V469 HydrophobicContact CG2-CB 4.29Å; T443-V469 HydrophobicContact CG2-CG1 4.14Å; T443-Y470 WeakPolarHBondContact OG1-CD2 2.88Å |
| 444 | T | 84.8 | Confident | 73 | Confident | 52 Ų | 52 | 63.8 Ų | 63.8 | 32% | 0.319 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 177 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | I440 Q441 N448 Y470 | I440-T444 WeakPolarHBondContact O-CB 3.34Å; I440-T444 VanDerWaalsContact O-CG2 3.32Å; I440-T444 WeakPolarHBondContact O-CG2 3.49Å; I440-T444 PolarHBondContact O-N 2.91Å; I440-T444 VanDerWaalsContact O-N 3.1Å; I440-T444 PolarHBondContact O-OG1 3.15Å; Q441-T444 PolarHBondContact O-N 2.75Å; Q441-T444 PolarHBondContact O-OG1 2.75Å; Q441-T444 VanDerWaalsContact O-OG1 3.04Å; T444-N448 PolarHBondContact O-N 2.84Å; T444-N448 PolarHBondContact O-ND2 3.13Å; T444-Y470 HydrophobicContact CG2-CD2 4.21Å; T444-Y470 HydrophobicContact CG2-CE2 3.59Å |
| 445 | Q | 79.2 | Confident | 70.1 | Confident | 74 Ų | 74 | 69.1 Ų | 69.1 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -51.1 | 172.2 | -74.2 | 169.3 | 14.7 | 0 | 0 | 111.2 | Q441 L442 N447 N448 D449 | Q441-Q445 WeakPolarHBondContact O-CB 3.3Å; Q441-Q445 VanDerWaalsContact O-CG 3.28Å; Q441-Q445 WeakPolarHBondContact O-CG 3.45Å; Q441-Q445 PolarHBondContact O-N 2.84Å; L442-Q445 PolarHBondContact O-N 3.45Å; Q445-N447 PolarHBondContact O-N 3.05Å; Q445-N448 WeakPolarHBondContact O-CB 3.24Å; Q445-N448 PolarHBondContact O-N 3.25Å; Q445-D449 PolarHBondContact O-N 2.86Å; Q445-D449 VanDerWaalsContact O-N 3.1Å |
| 446 | S | 71.8 | Confident | 67.2 | Low | 40 Ų | 40 | 75 Ų | 75 | 28% | 0.28 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.7 | -31.8 | -178.7 | 69.3 | 0 | 0 | 0 | 0 | 113.7 | L442 T443 S450 N466 | L442-S446 PolarHBondContact O-N 3.14Å; L442-S446 PolarHBondContact O-OG 3.01Å; T443-S446 PolarHBondContact O-N 2.84Å; T443-S446 PolarHBondContact O-OG 3.48Å; S446-S450 WeakPolarHBondContact O-CB 3.32Å; S446-S450 PolarHBondContact O-N 2.74Å; S446-S450 VanDerWaalsContact O-N 3.14Å; S446-S450 PolarHBondContact O-OG 3.21Å; S446-N466 PolarHBondContact OG-ND2 2.55Å |
| 447 | N | 63.5 | Low | 64.5 | Low | 44 Ų | 44 | 83.1 Ų | 83.1 | 24% | 0.235 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 173.8 | -72.4 | -6 | 0 | 0 | 0 | 111.6 | T443 Q445 D449 S450 F451 | T443-N447 PolarHBondContact O-N 3.3Å; T443-N447 VanDerWaalsContact O-N 3.12Å; Q445-N447 PolarHBondContact O-N 3.05Å; N447-D449 VanDerWaalsContact C-N 3.34Å; N447-D449 PolarHBondContact O-N 3.09Å; N447-S450 PolarHBondContact O-N 2.93Å; N447-S450 PolarHBondContact O-OG 2.93Å; N447-F451 WeakPolarHBondContact O-CD2 3.34Å; N447-F451 PolarHBondContact O-N 2.97Å |
| 448 | N | 62.6 | Low | 61.9 | Low | 117 Ų | 117 | 84.5 Ų | 84.5 | 63% | 0.626 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.1 | -42 | 178.1 | -69.2 | -24.3 | 0 | 0 | 0 | 112.1 | T444 Q445 F451 | T444-N448 PolarHBondContact O-N 2.84Å; T444-N448 PolarHBondContact O-ND2 3.13Å; Q445-N448 WeakPolarHBondContact O-CB 3.24Å; Q445-N448 PolarHBondContact O-N 3.25Å; N448-F451 PolarHBondContact O-N 3.23Å |
| 449 | D | 57.7 | Low | 59.8 | Low | 114 Ų | 114 | 88.6 Ų | 88.6 | 61% | 0.61 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.4 | -39.8 | 178.7 | -65.3 | -26.4 | 0 | 0 | 0 | 111.3 | Q445 N447 F451 S452 | Q445-D449 PolarHBondContact O-N 2.86Å; Q445-D449 VanDerWaalsContact O-N 3.1Å; N447-D449 VanDerWaalsContact C-N 3.34Å; N447-D449 PolarHBondContact O-N 3.09Å; D449-F451 VanDerWaalsContact C-N 3.32Å; D449-F451 PolarHBondContact O-N 3.08Å; D449-S452 WeakPolarHBondContact O-CB 3.42Å; D449-S452 PolarHBondContact O-N 3.4Å; D449-S452 PolarHBondContact O-OG 2.79Å |
| 450 | S | 51 | Low | 57.9 | Low | 41 Ų | 41 | 93.4 Ų | 93.4 | 29% | 0.287 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -26.5 | 179.5 | 69.5 | 0 | 0 | 0 | 0 | 114.4 | S446 N447 S452 I453 | S446-S450 WeakPolarHBondContact O-CB 3.32Å; S446-S450 PolarHBondContact O-N 2.74Å; S446-S450 VanDerWaalsContact O-N 3.14Å; S446-S450 PolarHBondContact O-OG 3.21Å; N447-S450 PolarHBondContact O-N 2.93Å; N447-S450 PolarHBondContact O-OG 2.93Å; S450-S452 PolarHBondContact O-N 3.27Å; S450-I453 PolarHBondContact O-N 3.34Å |
| 451 | F | 42 | Very low | 56 | Low | 157 Ų | 157 | 98.2 Ų | 98.2 | 69% | 0.689 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -11.9 | 174 | -93.7 | -75.2 | 0 | 0 | 0 | 114 | N447 N448 D449 I453 | N447-F451 WeakPolarHBondContact O-CD2 3.34Å; N447-F451 PolarHBondContact O-N 2.97Å; N448-F451 PolarHBondContact O-N 3.23Å; D449-F451 VanDerWaalsContact C-N 3.32Å; D449-F451 PolarHBondContact O-N 3.08Å; F451-I453 VanDerWaalsContact C-N 3.34Å |
| 452 | S | 42.4 | Very low | 54.3 | Low | 98 Ų | 98 | 100.6 Ų | 100.6 | 69% | 0.685 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -13.1 | 174.2 | 72 | 0 | 0 | 0 | 0 | 114.1 | D449 S450 | D449-S452 WeakPolarHBondContact O-CB 3.42Å; D449-S452 PolarHBondContact O-N 3.4Å; D449-S452 PolarHBondContact O-OG 2.79Å; S450-S452 PolarHBondContact O-N 3.27Å |
| 453 | I | 39.4 | Very low | 52.9 | Low | 133 Ų | 133 | 103 Ų | 103 | 68% | 0.682 | 54% | 0.542 | S | S | * | . | trans | -110.6 | 77.8 | -179.5 | -51.4 | 179.9 | 0 | 0 | 0 | 109 | S450 F451 N455 | S450-I453 PolarHBondContact O-N 3.34Å; F451-I453 VanDerWaalsContact C-N 3.34Å; I453-N455 PolarHBondContact O-N 3.27Å | ||
| 454 | Q | 30.2 | Very low | 51.6 | Low | 162 Ų | 162 | 107.5 Ų | 107.5 | 76% | 0.757 | 57% | 0.566 | S | S | * | * | trans | -77 | 110.9 | 170.7 | -70.2 | -173.7 | -13.2 | 0 | 0 | 110.2 | ||||
| 455 | N | 32.2 | Very low | 50.4 | Low | 145 Ų | 145 | 106.6 Ų | 106.6 | 78% | 0.775 | 56% | 0.559 | S | S | * | * | trans | -164.8 | 111.4 | 152.1 | -93.1 | -34.5 | 0 | 0 | 0 | 111.1 | I453 | I453-N455 PolarHBondContact O-N 3.27Š| ||
| 456 | N | 33.3 | Very low | 50 | Low | 127 Ų | 127 | 103.7 Ų | 103.7 | 68% | 0.679 | 55% | 0.545 | S | S | * | . | trans | 60.1 | 105.5 | 151.2 | -54.8 | -8.4 | 0 | 0 | 0 | 121.4 | T458 | N456-T458 VanDerWaalsContact C-N 3.32Å; N456-T458 PolarHBondContact O-N 2.84Å | ||
| 457 | D | 36.9 | Very low | 50.1 | Low | 170 Ų | 170 | 103.8 Ų | 103.8 | 91% | 0.909 | 55% | 0.546 | S | S | * | . | S | Bend | 55.1 | 11.8 | 126.7 | -59.3 | -13 | 0 | 0 | 0 | 122.1 | |||
| 458 | T | 38.1 | Very low | 50.7 | Low | 109 Ų | 109 | 103 Ų | 103 | 67% | 0.669 | 54% | 0.544 | S | S | * | . | trans | -113.8 | 124 | 160.2 | 44.7 | 0 | 0 | 0 | 0 | 110.8 | N456 N460 | N456-T458 VanDerWaalsContact C-N 3.32Å; N456-T458 PolarHBondContact O-N 2.84Å; T458-N460 VanDerWaalsContact C-N 3.32Å; T458-N460 PolarHBondContact O-N 2.94Å | ||
| 459 | I | 45.8 | Very low | 51.7 | Low | 143 Ų | 143 | 97.7 Ų | 97.7 | 73% | 0.733 | 52% | 0.516 | S | S | * | . | trans | -65.3 | 98.9 | 167.7 | -61.2 | 175.2 | 0 | 0 | 0 | 106.3 | E461 | I459-E461 PolarHBondContact O-N 2.81Š| ||
| 460 | N | 50 | Low | 53.1 | Low | 100 Ų | 100 | 93.6 Ų | 93.6 | 54% | 0.535 | 49% | 0.492 | S | S | . | . | trans | -58.3 | 128.5 | 177.8 | -100.7 | -49.3 | 0 | 0 | 0 | 109.2 | T458 H462 Q463 L464 | T458-N460 VanDerWaalsContact C-N 3.32Å; T458-N460 PolarHBondContact O-N 2.94Å; N460-H462 PolarHBondContact O-N 2.92Å; N460-Q463 HydrophobicContact CB-CG 4.38Å; N460-Q463 WeakPolarHBondContact O-CB 3.43Å; N460-Q463 PolarHBondContact O-N 3Å; N460-L464 PolarHBondContact O-N 3.1Å | ||
| 461 | E | 50.4 | Low | 54.8 | Low | 126 Ų | 126 | 92 Ų | 92 | 59% | 0.589 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -50.7 | -33.7 | 176 | -68.7 | -177.6 | 156 | 0 | 0 | 111.9 | I459 Q463 L464 L465 I1010 | I459-E461 PolarHBondContact O-N 2.81Å; E461-Q463 VanDerWaalsContact C-N 3.34Å; E461-Q463 PolarHBondContact O-N 2.86Å; E461-L464 PolarHBondContact O-N 3.03Å; E461-L465 WeakPolarHBondContact O-CB 3.32Å; E461-L465 PolarHBondContact O-N 3.21Å; E461-I1010 HydrophobicContact CB-CD1 3.75Å; E461-I1010 HydrophobicContact CG-CD1 4.04Å |
| 462 | H | 55.4 | Low | 57 | Low | 132 Ų | 132 | 84.7 Ų | 84.7 | 61% | 0.611 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -55.8 | -39.7 | 173 | -123.5 | -65.9 | 0 | 0 | 0 | 114.2 | N460 N466 | N460-H462 PolarHBondContact O-N 2.92Å; H462-N466 VanDerWaalsContact O-CB 3.3Å; H462-N466 WeakPolarHBondContact O-CB 3.49Å; H462-N466 PolarHBondContact O-N 3.37Å |
| 463 | Q | 58.8 | Low | 59.2 | Low | 80 Ų | 80 | 80 Ų | 80 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -72.3 | -38 | 177.3 | -70 | -177.6 | -15.9 | 0 | 0 | 111.6 | N460 E461 S467 | N460-Q463 HydrophobicContact CB-CG 4.38Å; N460-Q463 WeakPolarHBondContact O-CB 3.43Å; N460-Q463 PolarHBondContact O-N 3Å; E461-Q463 VanDerWaalsContact C-N 3.34Å; E461-Q463 PolarHBondContact O-N 2.86Å; Q463-S467 WeakPolarHBondContact O-CB 3.32Å; Q463-S467 PolarHBondContact O-N 3.22Å; Q463-S467 PolarHBondContact O-OG 3.16Å |
| 464 | L | 58.3 | Low | 61.7 | Low | 93 Ų | 93 | 73.8 Ų | 73.8 | 49% | 0.487 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 175 | -168.7 | 72.8 | 0 | 0 | 0 | 110.8 | N460 E461 S467 S468 | N460-L464 PolarHBondContact O-N 3.1Å; E461-L464 PolarHBondContact O-N 3.03Å; L464-S467 WeakPolarHBondContact O-CB 3.37Å; L464-S467 PolarHBondContact O-N 3.44Å; L464-S468 PolarHBondContact O-N 3.26Å |
| 465 | L | 59.3 | Low | 64.6 | Low | 33 Ų | 33 | 66.1 Ų | 66.1 | 17% | 0.173 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.9 | -51.3 | 175.7 | 177.4 | 55.2 | 0 | 0 | 0 | 111.3 | E461 S467 S468 V469 I1010 | E461-L465 WeakPolarHBondContact O-CB 3.32Å; E461-L465 PolarHBondContact O-N 3.21Å; L465-S467 PolarHBondContact O-N 3.18Å; L465-S468 PolarHBondContact O-N 2.92Å; L465-S468 VanDerWaalsContact O-N 3.12Å; L465-S468 PolarHBondContact O-OG 3.13Å; L465-V469 HydrophobicContact CD1-CG2 3.97Å; L465-V469 WeakPolarHBondContact O-CG2 3.5Å; L465-V469 PolarHBondContact O-N 3.32Å; L465-I1010 HydrophobicContact CB-CG2 4.18Å; L465-I1010 HydrophobicContact CD1-CG2 3.73Å; L465-I1010 HydrophobicContact CD2-CG2 4.07Å; L465-I1010 HydrophobicContact CG-CG2 4.19Å |
| 466 | N | 70.4 | Confident | 67.5 | Low | 13 Ų | 13 | 59.7 Ų | 59.7 | 7% | 0.07 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.4 | -39.7 | 175.7 | -77.9 | -6.1 | 0 | 0 | 0 | 112.2 | S446 H462 Y470 | S446-N466 PolarHBondContact OG-ND2 2.55Å; H462-N466 VanDerWaalsContact O-CB 3.3Å; H462-N466 WeakPolarHBondContact O-CB 3.49Å; H462-N466 PolarHBondContact O-N 3.37Å; N466-Y470 VanDerWaalsContact O-CB 3.23Å; N466-Y470 WeakPolarHBondContact O-CB 3.4Å; N466-Y470 PolarHBondContact O-N 2.89Å |
| 467 | S | 73.4 | Confident | 70.3 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.8 | -41.9 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | Q463 L464 L465 Y470 L471 | Q463-S467 WeakPolarHBondContact O-CB 3.32Å; Q463-S467 PolarHBondContact O-N 3.22Å; Q463-S467 PolarHBondContact O-OG 3.16Å; L464-S467 WeakPolarHBondContact O-CB 3.37Å; L464-S467 PolarHBondContact O-N 3.44Å; L465-S467 PolarHBondContact O-N 3.18Å; S467-Y470 PolarHBondContact O-N 3.02Å; S467-L471 WeakPolarHBondContact O-CB 2.99Å; S467-L471 PolarHBondContact O-N 3.28Å |
| 468 | S | 77.8 | Confident | 73 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 19% | 0.189 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.4 | -39.9 | 177.2 | 73.4 | 0 | 0 | 0 | 0 | 112.7 | L464 L465 T472 | L464-S468 PolarHBondContact O-N 3.26Å; L465-S468 PolarHBondContact O-N 2.92Å; L465-S468 VanDerWaalsContact O-N 3.12Å; L465-S468 PolarHBondContact O-OG 3.13Å; S468-T472 VanDerWaalsContact O-CB 3.32Å; S468-T472 WeakPolarHBondContact O-CB 3.28Å; S468-T472 PolarHBondContact O-N 3.11Å; S468-T472 PolarHBondContact O-OG1 2.66Å |
| 469 | V | 82.3 | Confident | 75.7 | Confident | 6 Ų | 6 | 42 Ų | 42 | 4% | 0.036 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.2 | -39.7 | 178 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | P410 Q411 T414 T443 L465 T472 A473 | P410-V469 HydrophobicContact CB-CG1 3.83Å; P410-V469 HydrophobicContact CG-CG1 4.16Å; Q411-V469 HydrophobicContact CG-CG2 3.77Å; T414-V469 HydrophobicContact CG2-CG1 4.03Å; T443-V469 HydrophobicContact CG2-CB 4.29Å; T443-V469 HydrophobicContact CG2-CG1 4.14Å; L465-V469 HydrophobicContact CD1-CG2 3.97Å; L465-V469 WeakPolarHBondContact O-CG2 3.5Å; L465-V469 PolarHBondContact O-N 3.32Å; V469-T472 PolarHBondContact O-N 2.77Å; V469-A473 VanDerWaalsContact O-CB 3.3Å; V469-A473 WeakPolarHBondContact O-CB 3.35Å; V469-A473 PolarHBondContact O-N 3.2Å |
| 470 | Y | 87.5 | Confident | 77.9 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 11% | 0.114 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 174 | -180 | -100.2 | 0 | 0 | 0 | 112 | I440 T443 T444 N466 S467 A473 L474 Q496 F501 | I440-Y470 HydrophobicContact CG1-CD2 4.44Å; I440-Y470 HydrophobicContact CG2-CE2 3.99Å; T443-Y470 WeakPolarHBondContact OG1-CD2 2.88Å; T444-Y470 HydrophobicContact CG2-CD2 4.21Å; T444-Y470 HydrophobicContact CG2-CE2 3.59Å; N466-Y470 VanDerWaalsContact O-CB 3.23Å; N466-Y470 WeakPolarHBondContact O-CB 3.4Å; N466-Y470 PolarHBondContact O-N 2.89Å; S467-Y470 PolarHBondContact O-N 3.02Å; Y470-A473 PolarHBondContact O-N 2.73Å; Y470-L474 HydrophobicContact CD1-CD1 3.89Å; Y470-L474 HydrophobicContact CE1-CD1 3.43Å; Y470-L474 VanDerWaalsContact CE1-CD1 3.43Å; Y470-L474 HydrophobicContact CE1-CG 4.44Å; Y470-L474 WeakPolarHBondContact O-CG 3.29Å; Y470-L474 PolarHBondContact O-N 2.89Å; Y470-Q496 PolarHBondContact OH-NE2 2.93Å; Y470-F501 AromaticContact CD1-CE2 3.77Å; Y470-F501 HydrophobicContact CD1-CE2 3.77Å; Y470-F501 AromaticContact CD1-CZ 3.95Å; Y470-F501 HydrophobicContact CD1-CZ 3.95Å; Y470-F501 HydrophobicContact CE1-CE2 4.19Å |
| 471 | L | 87.5 | Confident | 79.9 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -43.8 | 175.5 | -179.7 | 53.6 | 0 | 0 | 0 | 112 | S467 A473 L474 L475 A497 F501 L504 F505 L555 | S467-L471 WeakPolarHBondContact O-CB 2.99Å; S467-L471 PolarHBondContact O-N 3.28Å; L471-A473 VanDerWaalsContact C-N 3.34Å; L471-A473 PolarHBondContact O-N 2.87Å; L471-L474 PolarHBondContact O-N 2.94Å; L471-L475 HydrophobicContact CD1-CD1 4.01Å; L471-L475 HydrophobicContact CD1-CG 4.03Å; L471-L475 HydrophobicContact CG-CD1 4.08Å; L471-L475 WeakPolarHBondContact O-CG 2.84Å; L471-L475 PolarHBondContact O-N 2.97Å; L471-A497 HydrophobicContact CD1-CB 4.34Å; L471-F501 HydrophobicContact CB-CD2 4.23Å; L471-F501 HydrophobicContact CB-CE2 3.66Å; L471-F501 HydrophobicContact CB-CZ 3.97Å; L471-F501 HydrophobicContact CD1-CD2 3.8Å; L471-F501 HydrophobicContact CD1-CE2 4.02Å; L471-F501 HydrophobicContact CD2-CD2 4.21Å; L471-F501 HydrophobicContact CD2-CE2 4.41Å; L471-F501 HydrophobicContact CD2-CG 4.36Å; L471-F501 HydrophobicContact CG-CD2 4.3Å; L471-F501 HydrophobicContact CG-CE2 4.23Å; L471-L504 HydrophobicContact CD2-CD2 3.51Å; L471-F505 HydrophobicContact CD1-CZ 4.27Å; L471-L555 HydrophobicContact CD2-CD1 4.02Å |
| 472 | T | 87 | Confident | 81.9 | Confident | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.9 | -48.1 | 175 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | T414 S468 V469 L474 L475 L476 T1013 L1016 | T414-T472 HydrophobicContact CG2-CG2 4.23Å; S468-T472 VanDerWaalsContact O-CB 3.32Å; S468-T472 WeakPolarHBondContact O-CB 3.28Å; S468-T472 PolarHBondContact O-N 3.11Å; S468-T472 PolarHBondContact O-OG1 2.66Å; V469-T472 PolarHBondContact O-N 2.77Å; T472-L474 VanDerWaalsContact C-N 3.33Å; T472-L474 PolarHBondContact O-N 3.01Å; T472-L475 PolarHBondContact O-N 2.75Å; T472-L476 HydrophobicContact CG2-CD1 3.79Å; T472-L476 HydrophobicContact CG2-CG 4.28Å; T472-L476 WeakPolarHBondContact O-CB 3.37Å; T472-L476 WeakPolarHBondContact O-CG 3.49Å; T472-L476 PolarHBondContact O-N 3.31Å; T472-T1013 HydrophobicContact CG2-CG2 4.15Å; T472-L1016 HydrophobicContact CG2-CD1 3.99Å |
| 473 | A | 90.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.4 | -38.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T414 C436 A439 I440 V469 Y470 L471 S477 | T414-A473 HydrophobicContact CG2-CB 3.87Å; C436-A473 HydrophobicContact CB-CB 4.47Å; C436-A473 WeakPolarHBondContact CB-O 3.36Å; A439-A473 HydrophobicContact CB-CB 3.88Å; I440-A473 HydrophobicContact CD1-CB 4.26Å; I440-A473 HydrophobicContact CG1-CB 3.76Å; V469-A473 VanDerWaalsContact O-CB 3.3Å; V469-A473 WeakPolarHBondContact O-CB 3.35Å; V469-A473 PolarHBondContact O-N 3.2Å; Y470-A473 PolarHBondContact O-N 2.73Å; L471-A473 VanDerWaalsContact C-N 3.34Å; L471-A473 PolarHBondContact O-N 2.87Å; A473-S477 VanDerWaalsContact O-CB 3.27Å; A473-S477 WeakPolarHBondContact O-CB 3.42Å; A473-S477 PolarHBondContact O-N 2.88Å; A473-S477 PolarHBondContact O-OG 3.4Å; A473-S477 VanDerWaalsContact O-OG 3.09Å |
| 474 | L | 91.6 | Very high | 84.9 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.2 | -41.3 | 174.5 | -75.3 | 172.1 | 0 | 0 | 0 | 113.3 | I440 Y470 L471 T472 S477 V478 Q496 A497 | I440-L474 HydrophobicContact CD1-CD2 3.73Å; I440-L474 HydrophobicContact CD1-CG 4.13Å; I440-L474 HydrophobicContact CG1-CD2 4.47Å; I440-L474 HydrophobicContact CG1-CG 4.49Å; Y470-L474 HydrophobicContact CD1-CD1 3.89Å; Y470-L474 HydrophobicContact CE1-CD1 3.43Å; Y470-L474 VanDerWaalsContact CE1-CD1 3.43Å; Y470-L474 HydrophobicContact CE1-CG 4.44Å; Y470-L474 WeakPolarHBondContact O-CG 3.29Å; Y470-L474 PolarHBondContact O-N 2.89Å; L471-L474 PolarHBondContact O-N 2.94Å; T472-L474 VanDerWaalsContact C-N 3.33Å; T472-L474 PolarHBondContact O-N 3.01Å; L474-S477 WeakPolarHBondContact CA-OG 3.48Å; L474-S477 PolarHBondContact O-OG 2.88Å; L474-V478 VanDerWaalsContact O-CG2 3.32Å; L474-V478 WeakPolarHBondContact O-CG2 3.32Å; L474-V478 PolarHBondContact O-N 3.35Å; L474-Q496 HydrophobicContact CD1-CG 4.44Å; L474-Q496 HydrophobicContact CD2-CG 4.25Å; L474-A497 HydrophobicContact CB-CB 4.27Å; L474-A497 HydrophobicContact CD1-CB 4.21Å |
| 475 | L | 91.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -71.8 | -39.5 | 179.2 | -64.8 | 173.4 | 0 | 0 | 0 | 111.5 | L471 T472 R479 L555 V558 F559 L562 | L471-L475 HydrophobicContact CD1-CD1 4.01Å; L471-L475 HydrophobicContact CD1-CG 4.03Å; L471-L475 HydrophobicContact CG-CD1 4.08Å; L471-L475 WeakPolarHBondContact O-CG 2.84Å; L471-L475 PolarHBondContact O-N 2.97Å; T472-L475 PolarHBondContact O-N 2.75Å; L475-R479 PolarHBondContact O-N 2.84Å; L475-R479 VanDerWaalsContact O-N 3.15Å; L475-L555 HydrophobicContact CD1-CD2 3.89Å; L475-V558 HydrophobicContact CB-CG1 4.42Å; L475-V558 HydrophobicContact CD1-CG1 4.14Å; L475-F559 HydrophobicContact CD2-CB 4.3Å; L475-F559 HydrophobicContact CD2-CD2 4.12Å; L475-L562 HydrophobicContact CB-CD1 4.19Å; L475-L562 HydrophobicContact CD2-CD1 4.08Å; L475-L562 WeakPolarHBondContact O-CD1 3.38Å |
| 476 | L | 91.9 | Very high | 87.8 | Confident | 9 Ų | 9 | 17.4 Ų | 17.4 | 5% | 0.047 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 172.1 | -72.2 | 175 | 0 | 0 | 0 | 111.6 | I421 C436 T472 R479 C480 | I421-L476 HydrophobicContact CD1-CD2 4.02Å; C436-L476 VanDerWaalsContact SG-CB 3.5Å; T472-L476 HydrophobicContact CG2-CD1 3.79Å; T472-L476 HydrophobicContact CG2-CG 4.28Å; T472-L476 WeakPolarHBondContact O-CB 3.37Å; T472-L476 WeakPolarHBondContact O-CG 3.49Å; T472-L476 PolarHBondContact O-N 3.31Å; L476-R479 WeakPolarHBondContact O-CB 3.25Å; L476-R479 PolarHBondContact O-N 3.41Å; L476-R479 VanDerWaalsContact O-N 3.13Å; L476-C480 PolarHBondContact O-N 3.16Å; L476-C480 PolarHBondContact O-SG 3.22Å; L476-C480 VanDerWaalsContact O-SG 3.4Å |
| 477 | S | 93.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.007 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.6 | -39.3 | 179.2 | 65 | 0 | 0 | 0 | 0 | 112.3 | A473 L474 R479 C480 L481 Q493 | A473-S477 VanDerWaalsContact O-CB 3.27Å; A473-S477 WeakPolarHBondContact O-CB 3.42Å; A473-S477 PolarHBondContact O-N 2.88Å; A473-S477 PolarHBondContact O-OG 3.4Å; A473-S477 VanDerWaalsContact O-OG 3.09Å; L474-S477 WeakPolarHBondContact CA-OG 3.48Å; L474-S477 PolarHBondContact O-OG 2.88Å; S477-R479 VanDerWaalsContact C-N 3.28Å; S477-R479 PolarHBondContact O-N 2.88Å; S477-C480 PolarHBondContact O-N 3.1Å; S477-L481 WeakPolarHBondContact O-CB 3.4Å; S477-L481 VanDerWaalsContact O-CG 3.23Å; S477-L481 WeakPolarHBondContact O-CG 3.37Å; S477-L481 PolarHBondContact O-N 3.07Å; S477-Q493 PolarHBondContact OG-OE1 3.21Å |
| 478 | V | 93.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.2 | -42.7 | 170.4 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | L474 L481 L482 A490 Q493 L494 L562 | L474-V478 VanDerWaalsContact O-CG2 3.32Å; L474-V478 WeakPolarHBondContact O-CG2 3.32Å; L474-V478 PolarHBondContact O-N 3.35Å; V478-L481 PolarHBondContact O-N 3.12Å; V478-L482 HydrophobicContact CG1-CD1 4.27Å; V478-L482 WeakPolarHBondContact O-CG 3.44Å; V478-L482 PolarHBondContact O-N 2.97Å; V478-A490 HydrophobicContact CG1-CB 4.48Å; V478-Q493 HydrophobicContact CG2-CB 3.65Å; V478-L494 HydrophobicContact CG1-CB 4.48Å; V478-L494 HydrophobicContact CG1-CD1 4.4Å; V478-L494 HydrophobicContact CG2-CB 4.05Å; V478-L494 HydrophobicContact CG2-CD1 4.47Å; V478-L562 HydrophobicContact CB-CD1 4.41Å; V478-L562 HydrophobicContact CG1-CB 4.16Å; V478-L562 HydrophobicContact CG1-CD1 4.23Å; V478-L562 HydrophobicContact CG1-CD2 4.39Å |
| 479 | R | 93.1 | Very high | 89.5 | Confident | 33 Ų | 33 | 14 Ų | 14 | 13% | 0.125 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 176.3 | -169.6 | -177.5 | -177.6 | 130.7 | -6.7 | 112.4 | L475 L476 S477 L481 L482 Y483 L562 F1019 F1020 | L475-R479 PolarHBondContact O-N 2.84Å; L475-R479 VanDerWaalsContact O-N 3.15Å; L476-R479 WeakPolarHBondContact O-CB 3.25Å; L476-R479 PolarHBondContact O-N 3.41Å; L476-R479 VanDerWaalsContact O-N 3.13Å; S477-R479 VanDerWaalsContact C-N 3.28Å; S477-R479 PolarHBondContact O-N 2.88Å; R479-L481 VanDerWaalsContact C-N 3.31Å; R479-L481 PolarHBondContact O-N 3.18Å; R479-L482 PolarHBondContact O-N 3.3Å; R479-Y483 HydrophobicContact CG-CD2 4.09Å; R479-Y483 HydrophobicContact CG-CE2 3.72Å; R479-Y483 PolarHBondContact NE-OH 2.96Å; R479-Y483 PolarHBondContact NH2-OH 3.06Å; R479-Y483 WeakPolarHBondContact O-CD2 3.19Å; R479-Y483 PolarHBondContact O-N 3.41Å; R479-Y483 VanDerWaalsContact O-N 3.1Å; R479-L562 HydrophobicContact CB-CD2 3.99Å; R479-L562 HydrophobicContact CG-CD2 4.34Å; R479-F1019 PolarHBondContact NH1-O 2.8Å; R479-F1019 PolarHBondContact NH2-O 2.73Å; R479-F1020 VanDerWaalsContact NH1-CD1 3.28Å |
| 480 | C | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.2 | -40.3 | 176.5 | -64 | 0 | 0 | 0 | 0 | 112.1 | I429 L433 L476 S477 L482 Y483 L484 | I429-C480 HydrophobicContact CG2-CB 3.99Å; I429-C480 WeakPolarHBondContact CG2-O 3.31Å; L433-C480 HydrophobicContact CB-CB 3.89Å; L433-C480 HydrophobicContact CD1-CB 4.29Å; L476-C480 PolarHBondContact O-N 3.16Å; L476-C480 PolarHBondContact O-SG 3.22Å; L476-C480 VanDerWaalsContact O-SG 3.4Å; S477-C480 PolarHBondContact O-N 3.1Å; C480-L482 VanDerWaalsContact C-N 3.33Å; C480-L482 PolarHBondContact O-N 2.98Å; C480-Y483 PolarHBondContact O-N 3.36Å; C480-L484 WeakPolarHBondContact O-CG 3.29Å; C480-L484 PolarHBondContact O-N 3.14Å |
| 481 | L | 92.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -66.8 | -32.3 | 177.6 | -68.2 | 173.2 | 0 | 0 | 0 | 113.1 | F317 L433 S477 V478 R479 L484 D485 W486 A489 A490 Q493 | F317-L481 HydrophobicContact CD1-CD2 4.39Å; F317-L481 HydrophobicContact CE1-CD2 3.69Å; F317-L481 HydrophobicContact CZ-CD1 4.13Å; F317-L481 HydrophobicContact CZ-CD2 3.82Å; L433-L481 HydrophobicContact CD1-CD1 4.49Å; L433-L481 HydrophobicContact CD1-CD2 4Å; L433-L481 HydrophobicContact CD1-CG 3.92Å; L433-L481 HydrophobicContact CD2-CD2 3.57Å; L433-L481 HydrophobicContact CD2-CG 4.33Å; L433-L481 HydrophobicContact CG-CD2 4.46Å; S477-L481 WeakPolarHBondContact O-CB 3.4Å; S477-L481 VanDerWaalsContact O-CG 3.23Å; S477-L481 WeakPolarHBondContact O-CG 3.37Å; S477-L481 PolarHBondContact O-N 3.07Å; V478-L481 PolarHBondContact O-N 3.12Å; R479-L481 VanDerWaalsContact C-N 3.31Å; R479-L481 PolarHBondContact O-N 3.18Å; L481-L484 PolarHBondContact O-N 3.05Å; L481-D485 PolarHBondContact O-N 3.05Å; L481-W486 HydrophobicContact CB-CB 4.28Å; L481-W486 HydrophobicContact CD2-CB 3.73Å; L481-W486 HydrophobicContact CD2-CD2 4.15Å; L481-W486 HydrophobicContact CD2-CE3 3.46Å; L481-W486 VanDerWaalsContact CD2-CE3 3.46Å; L481-W486 HydrophobicContact CD2-CG 4.31Å; L481-W486 HydrophobicContact CD2-CZ3 4.38Å; L481-W486 PolarHBondContact O-N 3.1Å; L481-A489 HydrophobicContact CD1-CB 3.84Å; L481-A489 HydrophobicContact CD2-CB 4.08Å; L481-A490 HydrophobicContact CB-CB 3.77Å; L481-A490 HydrophobicContact CD1-CB 4.48Å; L481-Q493 HydrophobicContact CD1-CG 4.12Å |
| 482 | L | 91 | Very high | 89.8 | Confident | 21 Ų | 21 | 15.6 Ų | 15.6 | 11% | 0.11 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.5 | -42.8 | 171.8 | -71.9 | 171 | 0 | 0 | 0 | 111.6 | V478 R479 C480 L484 D485 L487 A490 L562 T565 L566 | V478-L482 HydrophobicContact CG1-CD1 4.27Å; V478-L482 WeakPolarHBondContact O-CG 3.44Å; V478-L482 PolarHBondContact O-N 2.97Å; R479-L482 PolarHBondContact O-N 3.3Å; C480-L482 VanDerWaalsContact C-N 3.33Å; C480-L482 PolarHBondContact O-N 2.98Å; L482-L484 VanDerWaalsContact C-N 3.26Å; L482-L484 PolarHBondContact O-N 3Å; L482-D485 PolarHBondContact O-N 3.21Å; L482-L487 HydrophobicContact CD2-CD2 3.9Å; L482-A490 HydrophobicContact CD2-CB 4.21Å; L482-A490 HydrophobicContact CG-CB 4.27Å; L482-L562 HydrophobicContact CD1-CD2 4.02Å; L482-T565 HydrophobicContact CD1-CG2 4.11Å; L482-L566 HydrophobicContact CD2-CB 4.02Å; L482-L566 HydrophobicContact CD2-CD1 3.77Å |
| 483 | Y | 89.9 | Confident | 89.8 | Confident | 119 Ų | 119 | 16.4 Ų | 16.4 | 47% | 0.467 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -64.7 | -27.1 | 175.1 | -75.9 | -51.2 | 0 | 0 | 0 | 113.9 | I421 I429 R479 C480 | I421-Y483 HydrophobicContact CG2-CE2 4.02Å; I429-Y483 HydrophobicContact CD1-CD2 3.91Å; I429-Y483 HydrophobicContact CD1-CE2 4.38Å; I429-Y483 HydrophobicContact CD1-CG 4.4Å; I429-Y483 HydrophobicContact CG2-CD2 4.37Å; I429-Y483 HydrophobicContact CG2-CG 4.45Å; R479-Y483 HydrophobicContact CG-CD2 4.09Å; R479-Y483 HydrophobicContact CG-CE2 3.72Å; R479-Y483 PolarHBondContact NE-OH 2.96Å; R479-Y483 PolarHBondContact NH2-OH 3.06Å; R479-Y483 WeakPolarHBondContact O-CD2 3.19Å; R479-Y483 PolarHBondContact O-N 3.41Å; R479-Y483 VanDerWaalsContact O-N 3.1Å; C480-Y483 PolarHBondContact O-N 3.36Å |
| 484 | L | 88.5 | Confident | 89.7 | Confident | 30 Ų | 30 | 16.5 Ų | 16.5 | 16% | 0.157 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 1.3 | 176.6 | -65.9 | 167.9 | 0 | 0 | 0 | 113.6 | H267 I429 Y430 L433 C480 L481 L482 W486 | H267-L484 HydrophobicContact CB-CD2 4.1Å; I429-L484 HydrophobicContact CB-CD2 4.47Å; I429-L484 HydrophobicContact CG2-CD1 4.21Å; I429-L484 HydrophobicContact CG2-CD2 4.1Å; I429-L484 HydrophobicContact CG2-CG 3.76Å; Y430-L484 HydrophobicContact CD2-CD1 4Å; L433-L484 HydrophobicContact CD2-CD1 3.9Å; C480-L484 WeakPolarHBondContact O-CG 3.29Å; C480-L484 PolarHBondContact O-N 3.14Å; L481-L484 PolarHBondContact O-N 3.05Å; L482-L484 VanDerWaalsContact C-N 3.26Å; L482-L484 PolarHBondContact O-N 3Å; L484-W486 HydrophobicContact CB-CD2 4.03Å; L484-W486 HydrophobicContact CB-CG 3.9Å; L484-W486 HydrophobicContact CD1-CD2 4.27Å; L484-W486 HydrophobicContact CD1-CE3 4.25Å; L484-W486 HydrophobicContact CD1-CH2 4.49Å; L484-W486 HydrophobicContact CD1-CZ3 4.31Å; L484-W486 PolarHBondContact O-N 2.77Å; L484-W486 PolarHBondContact O-NE1 2.81Å |
| 485 | D | 87.5 | Confident | 89.5 | Confident | 19 Ų | 19 | 18.3 Ų | 18.3 | 10% | 0.102 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 32.8 | -169.7 | -77.5 | -43.9 | 0 | 0 | 0 | 114.2 | T274 L481 L482 L487 R569 C656 A657 | T274-D485 HydrophobicContact CG2-CB 4.24Å; L481-D485 PolarHBondContact O-N 3.05Å; L482-D485 PolarHBondContact O-N 3.21Å; D485-L487 PolarHBondContact O-N 2.69Å; D485-R569 IonicContact OD1-CZ 3.26Å; D485-R569 VanDerWaalsContact OD1-CZ 3.26Å; D485-R569 IonicContact OD1-NE 2.71Å; D485-R569 PolarHBondContact OD1-NE 2.81Å; D485-R569 IonicContact OD1-NH2 2.92Å; D485-R569 PolarHBondContact OD1-NH2 3.22Å; D485-R569 IonicContact OD2-CZ 3.74Å; D485-R569 IonicContact OD2-NE 2.87Å; D485-R569 IonicContact OD2-NH2 3.26Å; D485-R569 PolarHBondContact OD2-NH2 3.04Å; D485-C656 WeakPolarHBondContact O-CA 3.41Å; D485-A657 HydrophobicContact CB-CB 3.97Å; D485-A657 PolarHBondContact O-N 2.87Å |
| 486 | W | 89.3 | Confident | 89.3 | Confident | 3 Ų | 3 | 21.4 Ų | 21.4 | 1% | 0.011 | 10% | 0.096 | C | C | . | . | trans | -92.3 | 49.9 | 178 | -66.5 | 8.2 | 0 | 0 | 0 | 110.9 | H267 F317 Y430 L433 L481 L484 N488 A489 A490 A657 C658 | H267-W486 HydrophobicContact CB-CZ2 4.38Å; F317-W486 HydrophobicContact CB-CH2 4.12Å; F317-W486 HydrophobicContact CB-CZ3 3.57Å; F317-W486 AromaticContact CD1-CE3 3.45Å; F317-W486 HydrophobicContact CD1-CE3 3.45Å; F317-W486 VanDerWaalsContact CD1-CE3 3.45Å; F317-W486 HydrophobicContact CD1-CH2 4.46Å; F317-W486 AromaticContact CD1-CZ3 3.33Å; F317-W486 HydrophobicContact CD1-CZ3 3.33Å; F317-W486 AromaticContact CE1-CE3 3.89Å; F317-W486 HydrophobicContact CE1-CE3 3.89Å; F317-W486 HydrophobicContact CE1-CZ3 4.19Å; F317-W486 HydrophobicContact CG-CE3 4.15Å; F317-W486 AromaticContact CG-CZ3 3.59Å; F317-W486 HydrophobicContact CG-CZ3 3.59Å; Y430-W486 AromaticContact CD2-CH2 3.87Å; Y430-W486 HydrophobicContact CD2-CH2 3.87Å; Y430-W486 HydrophobicContact CD2-CZ3 4.24Å; Y430-W486 AromaticContact CE2-CH2 3.43Å; Y430-W486 HydrophobicContact CE2-CH2 3.43Å; Y430-W486 VanDerWaalsContact CE2-CH2 3.43Å; Y430-W486 AromaticContact CE2-CZ3 3.77Å; Y430-W486 HydrophobicContact CE2-CZ3 3.77Å; L433-W486 HydrophobicContact CD2-CE3 3.98Å; L433-W486 HydrophobicContact CD2-CZ3 3.7Å; L481-W486 HydrophobicContact CB-CB 4.28Å; L481-W486 HydrophobicContact CD2-CB 3.73Å; L481-W486 HydrophobicContact CD2-CD2 4.15Å; L481-W486 HydrophobicContact CD2-CE3 3.46Å; L481-W486 VanDerWaalsContact CD2-CE3 3.46Å; L481-W486 HydrophobicContact CD2-CG 4.31Å; L481-W486 HydrophobicContact CD2-CZ3 4.38Å; L481-W486 PolarHBondContact O-N 3.1Å; L484-W486 HydrophobicContact CB-CD2 4.03Å; L484-W486 HydrophobicContact CB-CG 3.9Å; L484-W486 HydrophobicContact CD1-CD2 4.27Å; L484-W486 HydrophobicContact CD1-CE3 4.25Å; L484-W486 HydrophobicContact CD1-CH2 4.49Å; L484-W486 HydrophobicContact CD1-CZ3 4.31Å; L484-W486 PolarHBondContact O-N 2.77Å; L484-W486 PolarHBondContact O-NE1 2.81Å; W486-N488 VanDerWaalsContact C-N 3.3Å; W486-N488 PolarHBondContact O-N 3.26Å; W486-N488 VanDerWaalsContact O-N 3.17Å; W486-A489 HydrophobicContact CB-CB 4.48Å; W486-A489 WeakPolarHBondContact O-CA 3.24Å; W486-A489 WeakPolarHBondContact O-CB 3.44Å; W486-A489 PolarHBondContact O-N 3.4Å; W486-A490 PolarHBondContact O-N 2.64Å; W486-A657 VanDerWaalsContact CD1-C 3.43Å; W486-A657 VanDerWaalsContact NE1-C 3.3Å; W486-A657 PolarHBondContact NE1-O 2.87Å; W486-C658 HydrophobicContact CD2-CB 3.73Å; W486-C658 HydrophobicContact CE3-CB 4.27Å; W486-C658 HydrophobicContact CG-CB 3.87Å; W486-C658 HydrophobicContact CZ2-CB 4.29Å; W486-C658 VanDerWaalsContact NE1-CA 3.32Å | ||
| 487 | L | 86.9 | Confident | 89 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -53.5 | -42 | -167.1 | -55.1 | -173 | 0 | 0 | 0 | 113.8 | L482 D485 A489 A490 R491 L566 R569 E570 L573 L655 | L482-L487 HydrophobicContact CD2-CD2 3.9Å; D485-L487 PolarHBondContact O-N 2.69Å; L487-A489 VanDerWaalsContact C-N 3.3Å; L487-A489 PolarHBondContact O-N 2.8Å; L487-A490 PolarHBondContact O-N 3.22Å; L487-R491 WeakPolarHBondContact O-CB 3.38Å; L487-R491 PolarHBondContact O-N 3.31Å; L487-L566 HydrophobicContact CB-CD1 4.22Å; L487-L566 HydrophobicContact CD2-CD1 4.25Å; L487-R569 HydrophobicContact CD1-CG 4.07Å; L487-R569 HydrophobicContact CD2-CB 4.25Å; L487-R569 HydrophobicContact CD2-CG 3.74Å; L487-E570 HydrophobicContact CB-CG 4.48Å; L487-E570 HydrophobicContact CD1-CG 3.89Å; L487-L573 HydrophobicContact CD1-CD1 3.7Å; L487-L655 HydrophobicContact CD1-CB 4.4Å |
| 488 | N | 84 | Confident | 88.6 | Confident | 5 Ų | 5 | 22.2 Ų | 22.2 | 3% | 0.027 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -61.4 | -38.2 | 178.6 | -70.2 | -28.7 | 0 | 0 | 0 | 112 | C319 W486 I492 I651 N652 C656 | C319-N488 WeakPolarHBondContact SG-CB 3.33Å; W486-N488 VanDerWaalsContact C-N 3.3Å; W486-N488 PolarHBondContact O-N 3.26Å; W486-N488 VanDerWaalsContact O-N 3.17Å; N488-I492 WeakPolarHBondContact O-CD1 3.3Å; N488-I492 VanDerWaalsContact O-CG1 3.29Å; N488-I492 WeakPolarHBondContact O-CG1 3.2Å; N488-I492 PolarHBondContact O-N 2.84Å; N488-I651 HydrophobicContact CB-CG2 4.02Å; N488-I651 VanDerWaalsContact CG-CG2 3.43Å; N488-I651 WeakPolarHBondContact OD1-CG2 3.44Å; N488-N652 PolarHBondContact ND2-O 3.47Å; N488-N652 VanDerWaalsContact ND2-O 3.14Å; N488-C656 HydrophobicContact CB-CB 4.33Å; N488-C656 WeakPolarHBondContact ND2-CB 3.41Å |
| 489 | A | 86.8 | Confident | 88.2 | Confident | 5 Ų | 5 | 27.8 Ų | 27.8 | 4% | 0.041 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -75.4 | -38.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F317 C319 L481 W486 L487 R491 I492 Q493 | F317-A489 HydrophobicContact CE1-CB 3.67Å; F317-A489 HydrophobicContact CZ-CB 4.19Å; C319-A489 HydrophobicContact CB-CB 4.47Å; L481-A489 HydrophobicContact CD1-CB 3.84Å; L481-A489 HydrophobicContact CD2-CB 4.08Å; W486-A489 HydrophobicContact CB-CB 4.48Å; W486-A489 WeakPolarHBondContact O-CA 3.24Å; W486-A489 WeakPolarHBondContact O-CB 3.44Å; W486-A489 PolarHBondContact O-N 3.4Å; L487-A489 VanDerWaalsContact C-N 3.3Å; L487-A489 PolarHBondContact O-N 2.8Å; A489-R491 VanDerWaalsContact C-N 3.31Å; A489-R491 PolarHBondContact O-N 3.42Å; A489-I492 PolarHBondContact O-N 3.17Å; A489-I492 VanDerWaalsContact O-N 3.16Å; A489-Q493 PolarHBondContact O-N 2.81Å |
| 490 | A | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.6 | -44.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | V478 L481 L482 W486 L487 I492 Q493 L494 L566 | V478-A490 HydrophobicContact CG1-CB 4.48Å; L481-A490 HydrophobicContact CB-CB 3.77Å; L481-A490 HydrophobicContact CD1-CB 4.48Å; L482-A490 HydrophobicContact CD2-CB 4.21Å; L482-A490 HydrophobicContact CG-CB 4.27Å; W486-A490 PolarHBondContact O-N 2.64Å; L487-A490 PolarHBondContact O-N 3.22Å; A490-I492 VanDerWaalsContact C-N 3.34Å; A490-I492 PolarHBondContact O-N 3.2Å; A490-Q493 PolarHBondContact O-N 3.22Å; A490-L494 VanDerWaalsContact O-CB 3.32Å; A490-L494 WeakPolarHBondContact O-CB 3.5Å; A490-L494 PolarHBondContact O-N 2.78Å; A490-L566 HydrophobicContact CB-CD1 4.11Å |
| 491 | R | 87.8 | Confident | 87.1 | Confident | 42 Ų | 42 | 30.7 Ų | 30.7 | 16% | 0.158 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.8 | -41.4 | 174.6 | -170 | -173.3 | -86.4 | -146.9 | -6.9 | 112.3 | L487 A489 K495 L566 E570 F645 | L487-R491 WeakPolarHBondContact O-CB 3.38Å; L487-R491 PolarHBondContact O-N 3.31Å; A489-R491 VanDerWaalsContact C-N 3.31Å; A489-R491 PolarHBondContact O-N 3.42Å; R491-K495 WeakPolarHBondContact O-CG 3.26Å; R491-K495 PolarHBondContact O-N 2.87Å; R491-K495 VanDerWaalsContact O-N 3.16Å; R491-L566 HydrophobicContact CB-CD2 3.93Å; R491-L566 HydrophobicContact CG-CD2 4.27Å; R491-E570 IonicContact CZ-OE1 3.73Å; R491-E570 VanDerWaalsContact CZ-OE1 3.26Å; R491-E570 IonicContact CZ-OE2 2.71Å; R491-E570 IonicContact NE-OE1 3.92Å; R491-E570 PolarHBondContact NE-OE1 3.09Å; R491-E570 IonicContact NE-OE2 3.47Å; R491-E570 IonicContact NH2-OE1 2.73Å; R491-E570 PolarHBondContact NH2-OE1 3.25Å; R491-E570 IonicContact NH2-OE2 3.38Å; R491-E570 PolarHBondContact NH2-OE2 2.79Å; R491-F645 HydrophobicContact CG-CZ 4.35Å |
| 492 | I | 85.9 | Confident | 86.2 | Confident | 31 Ų | 31 | 32.9 Ų | 32.9 | 16% | 0.159 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.9 | -46.9 | 178.3 | -68.1 | 164.1 | 0 | 0 | 0 | 111.2 | Q320 F323 N488 A489 A490 K495 Q496 | Q320-I492 HydrophobicContact CB-CD1 4.44Å; Q320-I492 VanDerWaalsContact O-CD1 3.22Å; Q320-I492 WeakPolarHBondContact O-CD1 3.5Å; F323-I492 HydrophobicContact CE2-CG1 3.99Å; F323-I492 HydrophobicContact CE2-CG2 4.38Å; F323-I492 HydrophobicContact CZ-CG2 4.29Å; N488-I492 WeakPolarHBondContact O-CD1 3.3Å; N488-I492 VanDerWaalsContact O-CG1 3.29Å; N488-I492 WeakPolarHBondContact O-CG1 3.2Å; N488-I492 PolarHBondContact O-N 2.84Å; A489-I492 PolarHBondContact O-N 3.17Å; A489-I492 VanDerWaalsContact O-N 3.16Å; A490-I492 VanDerWaalsContact C-N 3.34Å; A490-I492 PolarHBondContact O-N 3.2Å; I492-K495 WeakPolarHBondContact O-CB 3.33Å; I492-K495 PolarHBondContact O-N 3.1Å; I492-Q496 PolarHBondContact O-N 2.8Å |
| 493 | Q | 88 | Confident | 85.2 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 11% | 0.107 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68 | -35.3 | 179.7 | -72.2 | -173.7 | -5.7 | 0 | 0 | 113 | S477 V478 L481 A489 A490 K495 Q496 A497 | S477-Q493 PolarHBondContact OG-OE1 3.21Å; V478-Q493 HydrophobicContact CG2-CB 3.65Å; L481-Q493 HydrophobicContact CD1-CG 4.12Å; A489-Q493 PolarHBondContact O-N 2.81Å; A490-Q493 PolarHBondContact O-N 3.22Å; Q493-K495 VanDerWaalsContact C-N 3.35Å; Q493-Q496 WeakPolarHBondContact O-CB 3.22Å; Q493-Q496 PolarHBondContact O-N 2.97Å; Q493-Q496 VanDerWaalsContact O-N 3.13Å; Q493-A497 PolarHBondContact O-N 3.44Å |
| 494 | L | 88.3 | Confident | 84.4 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.1 | -38.3 | 174.5 | -169.5 | 67.2 | 0 | 0 | 0 | 111.5 | V478 A490 Q496 A497 L498 F559 K563 L566 F645 | V478-L494 HydrophobicContact CG1-CB 4.48Å; V478-L494 HydrophobicContact CG1-CD1 4.4Å; V478-L494 HydrophobicContact CG2-CB 4.05Å; V478-L494 HydrophobicContact CG2-CD1 4.47Å; A490-L494 VanDerWaalsContact O-CB 3.32Å; A490-L494 WeakPolarHBondContact O-CB 3.5Å; A490-L494 PolarHBondContact O-N 2.78Å; L494-Q496 VanDerWaalsContact C-N 3.33Å; L494-A497 PolarHBondContact O-N 2.7Å; L494-L498 PolarHBondContact O-N 2.87Å; L494-L498 VanDerWaalsContact O-N 3.12Å; L494-F559 HydrophobicContact CD1-CD2 3.54Å; L494-F559 HydrophobicContact CD1-CE2 3.36Å; L494-F559 HydrophobicContact CD1-CG 4.36Å; L494-F559 HydrophobicContact CD1-CZ 4.07Å; L494-F559 HydrophobicContact CG-CD2 4.49Å; L494-F559 HydrophobicContact CG-CE2 3.86Å; L494-F559 HydrophobicContact CG-CZ 4.19Å; L494-K563 HydrophobicContact CD2-CB 3.86Å; L494-K563 HydrophobicContact CD2-CG 4.32Å; L494-L566 HydrophobicContact CD2-CD2 4.16Å; L494-F645 HydrophobicContact CD2-CZ 4.01Å |
| 495 | K | 87.1 | Confident | 83.5 | Confident | 39 Ų | 39 | 33.5 Ų | 33.5 | 17% | 0.17 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -37.3 | 169.2 | -74.3 | -176.6 | 175.5 | -167.1 | 0 | 112.3 | F323 R491 I492 Q493 L498 N499 F645 | F323-K495 HydrophobicContact CE2-CD 4.37Å; R491-K495 WeakPolarHBondContact O-CG 3.26Å; R491-K495 PolarHBondContact O-N 2.87Å; R491-K495 VanDerWaalsContact O-N 3.16Å; I492-K495 WeakPolarHBondContact O-CB 3.33Å; I492-K495 PolarHBondContact O-N 3.1Å; Q493-K495 VanDerWaalsContact C-N 3.35Å; K495-L498 PolarHBondContact O-N 3.39Å; K495-N499 WeakPolarHBondContact O-CB 3.38Å; K495-N499 PolarHBondContact O-N 3.47Å; K495-N499 PolarHBondContact O-ND2 2.67Å; K495-F645 HydrophobicContact CD-CE1 4.49Å; K495-F645 WeakPolarHBondContact CE-O 3.44Å; K495-F645 HydrophobicContact CG-CD1 4.06Å; K495-F645 HydrophobicContact CG-CE1 3.78Å; K495-F645 PolarHBondContact NZ-O 3.08Å |
| 496 | Q | 87 | Confident | 82.1 | Confident | 67 Ų | 67 | 39.2 Ų | 39.2 | 31% | 0.313 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 174.9 | -176.7 | 179.2 | -15.5 | 0 | 0 | 111.4 | Y470 L474 I492 Q493 L494 L498 N499 S500 | Y470-Q496 PolarHBondContact OH-NE2 2.93Å; L474-Q496 HydrophobicContact CD1-CG 4.44Å; L474-Q496 HydrophobicContact CD2-CG 4.25Å; I492-Q496 PolarHBondContact O-N 2.8Å; Q493-Q496 WeakPolarHBondContact O-CB 3.22Å; Q493-Q496 PolarHBondContact O-N 2.97Å; Q493-Q496 VanDerWaalsContact O-N 3.13Å; L494-Q496 VanDerWaalsContact C-N 3.33Å; Q496-L498 VanDerWaalsContact C-N 3.34Å; Q496-L498 PolarHBondContact O-N 2.96Å; Q496-N499 PolarHBondContact O-N 3.18Å; Q496-S500 WeakPolarHBondContact O-CB 3.3Å; Q496-S500 PolarHBondContact O-N 2.74Å; Q496-S500 PolarHBondContact O-OG 2.92Å |
| 497 | A | 86 | Confident | 79.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | L471 L474 Q493 L494 S500 F501 F559 | L471-A497 HydrophobicContact CD1-CB 4.34Å; L474-A497 HydrophobicContact CB-CB 4.27Å; L474-A497 HydrophobicContact CD1-CB 4.21Å; Q493-A497 PolarHBondContact O-N 3.44Å; L494-A497 PolarHBondContact O-N 2.7Å; A497-S500 PolarHBondContact O-N 3.45Å; A497-F501 PolarHBondContact O-N 3.37Å; A497-F501 VanDerWaalsContact O-N 3.12Å; A497-F559 HydrophobicContact CB-CE2 4.4Å |
| 498 | L | 85.4 | Confident | 77.8 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 15% | 0.147 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.3 | -177.9 | 65.5 | 0 | 0 | 0 | 112.5 | L494 K495 Q496 F501 P502 F505 F559 W642 | L494-L498 PolarHBondContact O-N 2.87Å; L494-L498 VanDerWaalsContact O-N 3.12Å; K495-L498 PolarHBondContact O-N 3.39Å; Q496-L498 VanDerWaalsContact C-N 3.34Å; Q496-L498 PolarHBondContact O-N 2.96Å; L498-F501 CarbonylContact O-C 3.58Å; L498-P502 WeakPolarHBondContact O-CA 3.32Å; L498-F505 HydrophobicContact CD1-CB 3.85Å; L498-F505 HydrophobicContact CD1-CD2 4.14Å; L498-F505 HydrophobicContact CD1-CG 4.32Å; L498-F559 HydrophobicContact CB-CE2 4.22Å; L498-F559 HydrophobicContact CB-CZ 4Å; L498-F559 HydrophobicContact CD1-CZ 4.09Å; L498-F559 HydrophobicContact CG-CZ 4.49Å; L498-W642 HydrophobicContact CD1-CH2 4.22Å; L498-W642 HydrophobicContact CD1-CZ3 3.96Å; L498-W642 HydrophobicContact CD2-CZ3 3.94Å |
| 499 | N | 83.4 | Confident | 75.4 | Confident | 116 Ų | 116 | 52.7 Ų | 52.7 | 62% | 0.62 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -71.8 | -32.2 | -179.3 | -71.7 | -16.1 | 0 | 0 | 0 | 112.9 | K495 Q496 | K495-N499 WeakPolarHBondContact O-CB 3.38Å; K495-N499 PolarHBondContact O-N 3.47Å; K495-N499 PolarHBondContact O-ND2 2.67Å; Q496-N499 PolarHBondContact O-N 3.18Å |
| 500 | S | 82.4 | Confident | 72.8 | Confident | 51 Ų | 51 | 60.6 Ų | 60.6 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -76 | -31.8 | 177.2 | -67.3 | 0 | 0 | 0 | 0 | 113.2 | Q496 A497 P502 | Q496-S500 WeakPolarHBondContact O-CB 3.3Å; Q496-S500 PolarHBondContact O-N 2.74Å; Q496-S500 PolarHBondContact O-OG 2.92Å; A497-S500 PolarHBondContact O-N 3.45Å; S500-P502 VanDerWaalsContact C-CD 3.43Å |
| 501 | F | 82.3 | Confident | 70 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 19% | 0.193 | 35% | 0.354 | C | S | . | . | trans | -128 | 56.8 | -177.5 | -58.2 | -82.6 | 0 | 0 | 0 | 113 | Y470 L471 A497 L498 N503 L504 F505 | Y470-F501 AromaticContact CD1-CE2 3.77Å; Y470-F501 HydrophobicContact CD1-CE2 3.77Å; Y470-F501 AromaticContact CD1-CZ 3.95Å; Y470-F501 HydrophobicContact CD1-CZ 3.95Å; Y470-F501 HydrophobicContact CE1-CE2 4.19Å; L471-F501 HydrophobicContact CB-CD2 4.23Å; L471-F501 HydrophobicContact CB-CE2 3.66Å; L471-F501 HydrophobicContact CB-CZ 3.97Å; L471-F501 HydrophobicContact CD1-CD2 3.8Å; L471-F501 HydrophobicContact CD1-CE2 4.02Å; L471-F501 HydrophobicContact CD2-CD2 4.21Å; L471-F501 HydrophobicContact CD2-CE2 4.41Å; L471-F501 HydrophobicContact CD2-CG 4.36Å; L471-F501 HydrophobicContact CG-CD2 4.3Å; L471-F501 HydrophobicContact CG-CE2 4.23Å; A497-F501 PolarHBondContact O-N 3.37Å; A497-F501 VanDerWaalsContact O-N 3.12Å; L498-F501 CarbonylContact O-C 3.58Å; F501-N503 PolarHBondContact O-N 2.72Å; F501-L504 HydrophobicContact CB-CB 4.1Å; F501-L504 PolarHBondContact O-N 2.93Å; F501-L504 VanDerWaalsContact O-N 3.13Å; F501-F505 HydrophobicContact CB-CD2 4.4Å; F501-F505 HydrophobicContact CB-CE2 4.01Å; F501-F505 VanDerWaalsContact O-CD2 3.29Å; F501-F505 WeakPolarHBondContact O-CD2 3Å | ||
| 502 | P | 73.3 | Confident | 67.2 | Low | 45 Ų | 45 | 77.1 Ų | 77.1 | 29% | 0.292 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.7 | -34.2 | -173.6 | 25.2 | -34.9 | 0 | 0 | 0 | 112.6 | L498 S500 L504 F505 K506 | L498-P502 WeakPolarHBondContact O-CA 3.32Å; S500-P502 VanDerWaalsContact C-CD 3.43Å; P502-L504 VanDerWaalsContact C-N 3.33Å; P502-L504 PolarHBondContact O-N 3.27Å; P502-F505 PolarHBondContact O-N 2.95Å; P502-K506 HydrophobicContact CB-CD 4.28Å; P502-K506 WeakPolarHBondContact O-CB 3.47Å; P502-K506 WeakPolarHBondContact O-CD 3.4Å; P502-K506 WeakPolarHBondContact O-CG 3.27Å; P502-K506 PolarHBondContact O-N 3.37Å; P502-K506 VanDerWaalsContact O-N 3.07Å |
| 503 | N | 70.1 | Confident | 64.4 | Low | 133 Ų | 133 | 83.7 Ų | 83.7 | 71% | 0.711 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -72 | -26.7 | -178 | -62.8 | -7.6 | 0 | 0 | 0 | 112.9 | F501 | F501-N503 PolarHBondContact O-N 2.72Å |
| 504 | L | 71.7 | Confident | 61.6 | Low | 49 Ų | 49 | 87.2 Ų | 87.2 | 26% | 0.257 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.6 | -34.5 | 179 | -172.4 | 66 | 0 | 0 | 0 | 111.5 | L471 F501 P502 L555 V556 | L471-L504 HydrophobicContact CD2-CD2 3.51Å; F501-L504 HydrophobicContact CB-CB 4.1Å; F501-L504 PolarHBondContact O-N 2.93Å; F501-L504 VanDerWaalsContact O-N 3.13Å; P502-L504 VanDerWaalsContact C-N 3.33Å; P502-L504 PolarHBondContact O-N 3.27Å; L504-L555 HydrophobicContact CD2-CB 4.45Å; L504-V556 HydrophobicContact CD1-CG2 4.44Å; L504-V556 HydrophobicContact CG-CG2 4.15Å; L504-V556 WeakPolarHBondContact O-CG2 3.26Å |
| 505 | F | 70.2 | Confident | 58.9 | Low | 2 Ų | 2 | 94.6 Ų | 94.6 | 1% | 0.009 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -104.2 | -10.2 | -173.8 | -54.9 | -63.5 | 0 | 0 | 0 | 114.6 | L471 L498 F501 P502 V556 F559 | L471-F505 HydrophobicContact CD1-CZ 4.27Å; L498-F505 HydrophobicContact CD1-CB 3.85Å; L498-F505 HydrophobicContact CD1-CD2 4.14Å; L498-F505 HydrophobicContact CD1-CG 4.32Å; F501-F505 HydrophobicContact CB-CD2 4.4Å; F501-F505 HydrophobicContact CB-CE2 4.01Å; F501-F505 VanDerWaalsContact O-CD2 3.29Å; F501-F505 WeakPolarHBondContact O-CD2 3Å; P502-F505 PolarHBondContact O-N 2.95Å; F505-V556 HydrophobicContact CD1-CG2 4.04Å; F505-V556 HydrophobicContact CE1-CG2 4.22Å; F505-F559 HydrophobicContact CD1-CB 4.02Å; F505-F559 AromaticContact CD1-CD1 3.86Å; F505-F559 HydrophobicContact CD1-CD1 3.86Å; F505-F559 HydrophobicContact CD1-CD2 4.33Å; F505-F559 HydrophobicContact CD1-CE1 4.45Å; F505-F559 AromaticContact CD1-CG 3.81Å; F505-F559 HydrophobicContact CD1-CG 3.81Å; F505-F559 HydrophobicContact CE1-CB 3.41Å; F505-F559 VanDerWaalsContact CE1-CB 3.41Å; F505-F559 HydrophobicContact CE1-CD1 4.07Å; F505-F559 AromaticContact CE1-CD2 3.88Å; F505-F559 HydrophobicContact CE1-CD2 3.88Å; F505-F559 AromaticContact CE1-CG 3.52Å; F505-F559 HydrophobicContact CE1-CG 3.52Å; F505-F559 HydrophobicContact CE2-CD2 4.12Å; F505-F559 HydrophobicContact CE2-CE2 4.37Å; F505-F559 HydrophobicContact CG-CD1 4.36Å; F505-F559 HydrophobicContact CG-CG 4.46Å; F505-F559 HydrophobicContact CZ-CB 3.99Å; F505-F559 AromaticContact CZ-CD2 3.76Å; F505-F559 HydrophobicContact CZ-CD2 3.76Å; F505-F559 HydrophobicContact CZ-CE2 4.45Å; F505-F559 AromaticContact CZ-CG 3.91Å; F505-F559 HydrophobicContact CZ-CG 3.91Å |
| 506 | K | 57.5 | Low | 56.1 | Low | 139 Ų | 139 | 103.2 Ų | 103.2 | 60% | 0.604 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -16.1 | -177.9 | -85.9 | 175.6 | -179.9 | -177.4 | 0 | 115.7 | P502 T509 | P502-K506 HydrophobicContact CB-CD 4.28Å; P502-K506 WeakPolarHBondContact O-CB 3.47Å; P502-K506 WeakPolarHBondContact O-CD 3.4Å; P502-K506 WeakPolarHBondContact O-CG 3.27Å; P502-K506 PolarHBondContact O-N 3.37Å; P502-K506 VanDerWaalsContact O-N 3.07Å; K506-T509 PolarHBondContact O-OG1 3.21Å |
| 507 | N | 44.6 | Very low | 53.4 | Low | 127 Ų | 127 | 103.9 Ų | 103.9 | 68% | 0.679 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -5.6 | -174.4 | -74.4 | -2.8 | 0 | 0 | 0 | 114.6 | T509 | N507-T509 PolarHBondContact O-N 3.48Å; N507-T509 VanDerWaalsContact O-N 3.14Å |
| 508 | T | 41.6 | Very low | 50.8 | Low | 84 Ų | 84 | 111.1 Ų | 111.1 | 52% | 0.515 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | 1.1 | -174.7 | -27.8 | 0 | 0 | 0 | 0 | 114.2 | V556 | T508-V556 HydrophobicContact CG2-CG1 4.11Š|
| 509 | T | 33.9 | Very low | 48.2 | Very low | 80 Ų | 80 | 116.4 Ų | 116.4 | 49% | 0.491 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.2 | -2.2 | -169.3 | 44.5 | 0 | 0 | 0 | 0 | 116.4 | K506 N507 | K506-T509 PolarHBondContact O-OG1 3.21Å; N507-T509 PolarHBondContact O-N 3.48Å; N507-T509 VanDerWaalsContact O-N 3.14Å |
| 510 | H | 32.1 | Very low | 45.5 | Very low | 171 Ų | 171 | 116.8 Ų | 116.8 | 79% | 0.792 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -131.2 | 1.8 | -171.6 | -87.1 | -72.3 | 0 | 0 | 0 | 118.5 | ||
| 511 | Q | 30.8 | Very low | 43 | Very low | 184 Ų | 184 | 120 Ų | 120 | 86% | 0.86 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -106.3 | 33.6 | -169.9 | -110.6 | 177.1 | -9.2 | 0 | 0 | 116.5 | ||
| 512 | K | 29.1 | Very low | 40.4 | Very low | 205 Ų | 205 | 124.7 Ų | 124.7 | 89% | 0.891 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -129 | 10.5 | 177.5 | -93.1 | -170.9 | 175.5 | -176.5 | 0 | 116.6 | ||
| 513 | I | 28.2 | Very low | 38.3 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 87% | 0.872 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -135.3 | 56.9 | -179.3 | -44.7 | -178.4 | 0 | 0 | 0 | 112.3 | ||
| 514 | S | 28.1 | Very low | 36.4 | Very low | 97 Ų | 97 | 130.8 Ų | 130.8 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | trans | 176.5 | 109.7 | 158.7 | 52.8 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 515 | D | 31.4 | Very low | 34.4 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | -138.7 | 113.5 | 67.3 | -64.4 | -45.9 | 0 | 0 | 0 | 113.7 | |||||
| 516 | K | 28.4 | Very low | 32.4 | Very low | 220 Ų | 220 | 137.8 Ų | 137.8 | 96% | 0.957 | 75% | 0.753 | S | S | * | * | trans | -118 | 72.5 | 158.7 | -95.6 | -171.2 | 173.4 | -178.9 | 0 | 108.3 | ||||
| 517 | A | 30.8 | Very low | 31.2 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | -155.5 | 126.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 518 | L | 31 | Very low | 30.5 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 77 | 97.9 | 155.3 | -84.7 | 76.1 | 0 | 0 | 0 | 122.5 | ||||
| 519 | I | 30.7 | Very low | 30.1 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | 84.1 | 102.2 | 110.6 | -72.2 | 177.4 | 0 | 0 | 0 | 120.7 | |||||
| 520 | T | 28.3 | Very low | 29.9 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | trans | 65.4 | 139.7 | 143.8 | 51.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 521 | P | 28.6 | Very low | 30 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -97.5 | 147.8 | 173 | 38.3 | -32 | 0 | 0 | 0 | 113.4 | ||||
| 522 | T | 29.3 | Very low | 29.9 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | trans | -139.4 | 139.8 | 161.2 | -48.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 523 | I | 27.2 | Very low | 29.9 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -95.4 | 156.1 | -173.5 | -53.8 | 165.5 | 0 | 0 | 0 | 109.3 | ||||
| 524 | I | 31.1 | Very low | 30.1 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | 153.9 | 116.9 | 131.2 | -76.4 | 164 | 0 | 0 | 0 | 114.1 | ||||
| 525 | A | 29.9 | Very low | 30 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | trans | 43.7 | 110.8 | 142 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 526 | S | 27.2 | Very low | 30 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | 7.1 | 133.4 | 125.9 | 59.1 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 527 | S | 33.1 | Very low | 29.8 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | -157.7 | 144.8 | 129.2 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 528 | S | 30.7 | Very low | 29.6 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -94.6 | 153.1 | -173 | 53.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 529 | S | 33.2 | Very low | 29.5 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | 174.6 | 141.9 | 120 | 57.7 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 530 | S | 29.8 | Very low | 29.2 | Very low | 108 Ų | 108 | 128 Ų | 128 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -22.4 | 153.4 | 158.2 | 55.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 531 | S | 33.4 | Very low | 29.1 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | -175.4 | 147.7 | 56.1 | 54.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 532 | Y | 29.3 | Very low | 29.1 | Very low | 229 Ų | 229 | 130.7 Ų | 130.7 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | 21.9 | 123.5 | 152.3 | -75.1 | -87.1 | 0 | 0 | 0 | 124.4 | ||||
| 533 | A | 28.3 | Very low | 29.1 | Very low | 87 Ų | 87 | 130.8 Ų | 130.8 | 72% | 0.719 | 80% | 0.797 | S | S | * | * | 61.8 | 112.1 | 128.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 534 | S | 32.7 | Very low | 29.1 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | -173.1 | 134.8 | 120.2 | -78.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 535 | T | 26.7 | Very low | 29 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -70.9 | 148.8 | 174 | 44.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 536 | P | 30.2 | Very low | 28.9 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | -144.9 | 165 | 97.1 | 35.5 | -18.4 | 0 | 0 | 0 | 116.5 | |||||
| 537 | T | 24.3 | Very low | 29 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -35.5 | 141.4 | 168.1 | 43.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 538 | I | 27.9 | Very low | 28.8 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | -172.8 | 132.5 | 129.6 | -98.9 | 154 | 0 | 0 | 0 | 112.4 | |||||
| 539 | N | 26.9 | Very low | 28.6 | Very low | 134 Ų | 134 | 130 Ų | 130 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | trans | 46.1 | 110.3 | 153.2 | -56.7 | -3.7 | 0 | 0 | 0 | 123.1 | ||||
| 540 | T | 24.8 | Very low | 28.4 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | 18.4 | 104 | 126 | 57.2 | 0 | 0 | 0 | 0 | 119 | |||||
| 541 | T | 27.1 | Very low | 29.1 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 81% | 0.81 | 73% | 0.732 | S | S | * | * | 166.1 | 105.1 | 119.1 | 30.7 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 542 | D | 27.2 | Very low | 30.1 | Very low | 169 Ų | 169 | 124.9 Ų | 124.9 | 90% | 0.904 | 71% | 0.709 | S | S | * | * | trans | -174.1 | 109.4 | 155.4 | -99.5 | -26.6 | 0 | 0 | 0 | 108.8 | ||||
| 543 | T | 30.2 | Very low | 31.6 | Very low | 142 Ų | 142 | 118.4 Ų | 118.4 | 87% | 0.871 | 69% | 0.69 | S | S | * | * | trans | -97.2 | 125.3 | -177.6 | 35.6 | 0 | 0 | 0 | 0 | 111.8 | S545 | T543-S545 PolarHBondContact O-N 3.44Š| ||
| 544 | N | 27.4 | Very low | 33.5 | Very low | 131 Ų | 131 | 115.8 Ų | 115.8 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | trans | -54.4 | 104.8 | -176.3 | -65.9 | -67.8 | 0 | 0 | 0 | 114.2 | ||||
| 545 | S | 28.4 | Very low | 35.3 | Very low | 99 Ų | 99 | 111.5 Ų | 111.5 | 69% | 0.692 | 63% | 0.631 | S | S | * | * | trans | -91.7 | -17.2 | 170.9 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | T543 | T543-S545 PolarHBondContact O-N 3.44Š| ||
| 546 | S | 29.1 | Very low | 37.7 | Very low | 90 Ų | 90 | 105.8 Ų | 105.8 | 63% | 0.629 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -14.4 | -168.5 | 58.5 | 0 | 0 | 0 | 0 | 116.2 | T549 | S546-T549 PolarHBondContact O-OG1 3.38Š|
| 547 | K | 29.1 | Very low | 40 | Very low | 166 Ų | 166 | 106.4 Ų | 106.4 | 72% | 0.722 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -25.7 | 177.6 | -98.3 | -171.5 | 173 | -171.3 | 0 | 114.1 | ||
| 548 | Y | 27.4 | Very low | 42.7 | Very low | 156 Ų | 156 | 100.7 Ų | 100.7 | 61% | 0.612 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -21 | -172.8 | -72.7 | -75.3 | 0 | 0 | 0 | 114.4 | C550 | Y548-C550 PolarHBondContact O-N 2.73Š|
| 549 | T | 27.2 | Very low | 45.6 | Very low | 86 Ų | 86 | 93.6 Ų | 93.6 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.1 | -32.3 | -177.2 | 47.6 | 0 | 0 | 0 | 0 | 113.8 | S546 Q551 S552 | S546-T549 PolarHBondContact O-OG1 3.38Å; T549-Q551 PolarHBondContact O-N 2.71Å; T549-S552 PolarHBondContact O-OG 2.75Å |
| 550 | C | 29.4 | Very low | 48.4 | Very low | 90 Ų | 90 | 90 Ų | 90 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -73.1 | -25.5 | -175.5 | -165.6 | 0 | 0 | 0 | 0 | 113.4 | Y548 N554 | Y548-C550 PolarHBondContact O-N 2.73Å; C550-N554 PolarHBondContact O-ND2 3.03Å |
| 551 | Q | 44.4 | Very low | 51.5 | Low | 91 Ų | 91 | 87.9 Ų | 87.9 | 43% | 0.425 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -78.9 | -35.7 | 179.4 | -71.8 | -173.4 | -28.3 | 0 | 0 | 112.8 | T549 D553 T1012 | T549-Q551 PolarHBondContact O-N 2.71Å; Q551-D553 PolarHBondContact O-N 3.44Å; Q551-T1012 PolarHBondContact NE2-OG1 3.41Å |
| 552 | S | 54.3 | Low | 54.5 | Low | 38 Ų | 38 | 81.8 Ų | 81.8 | 27% | 0.266 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | -178.8 | 42.6 | 0 | 0 | 0 | 0 | 113 | T549 N554 L555 V556 | T549-S552 PolarHBondContact O-OG 2.75Å; S552-N554 PolarHBondContact O-N 2.85Å; S552-L555 PolarHBondContact O-N 2.88Å; S552-V556 WeakPolarHBondContact O-CG2 3.43Å; S552-V556 PolarHBondContact O-N 2.97Å |
| 553 | D | 61.7 | Low | 57.5 | Low | 92 Ų | 92 | 74.1 Ų | 74.1 | 49% | 0.492 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.1 | -30.9 | -174.6 | -72.8 | 3.4 | 0 | 0 | 0 | 113.1 | Q551 K557 | Q551-D553 PolarHBondContact O-N 3.44Å; D553-K557 VanDerWaalsContact O-CG 3.28Å; D553-K557 WeakPolarHBondContact O-CG 3.39Å; D553-K557 PolarHBondContact O-N 2.8Å; D553-K557 VanDerWaalsContact O-N 3.09Å |
| 554 | N | 67.2 | Low | 60.3 | Low | 32 Ų | 32 | 70.9 Ų | 70.9 | 17% | 0.171 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -76.8 | -39.3 | -176.6 | -62.7 | -44.2 | 0 | 0 | 0 | 111.8 | C550 S552 V556 K557 V558 I1017 | C550-N554 PolarHBondContact O-ND2 3.03Å; S552-N554 PolarHBondContact O-N 2.85Å; N554-V556 VanDerWaalsContact C-N 3.31Å; N554-V556 PolarHBondContact O-N 2.85Å; N554-K557 PolarHBondContact O-N 2.74Å; N554-K557 PolarHBondContact OD1-NZ 3.26Å; N554-V558 VanDerWaalsContact O-CG2 3.31Å; N554-V558 WeakPolarHBondContact O-CG2 3.41Å; N554-V558 PolarHBondContact O-N 2.91Å; N554-I1017 HydrophobicContact CB-CD1 4.15Å; N554-I1017 HydrophobicContact CB-CG1 3.79Å; N554-I1017 VanDerWaalsContact CG-CD1 3.46Å; N554-I1017 WeakPolarHBondContact ND2-CD1 3.3Å |
| 555 | L | 70.4 | Confident | 63.3 | Low | 34 Ų | 34 | 67.2 Ų | 67.2 | 18% | 0.178 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 173.5 | -67.6 | 168.4 | 0 | 0 | 0 | 111.8 | L471 L475 L504 S552 V558 F559 L1016 | L471-L555 HydrophobicContact CD2-CD1 4.02Å; L475-L555 HydrophobicContact CD1-CD2 3.89Å; L504-L555 HydrophobicContact CD2-CB 4.45Å; S552-L555 PolarHBondContact O-N 2.88Å; L555-V558 PolarHBondContact O-N 3.4Å; L555-F559 WeakPolarHBondContact O-CB 3.43Å; L555-F559 PolarHBondContact O-N 3.3Å; L555-L1016 HydrophobicContact CD2-CD1 3.87Å |
| 556 | V | 76.2 | Confident | 66.1 | Low | 18 Ų | 18 | 62.5 Ų | 62.5 | 11% | 0.109 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 174.8 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | L504 F505 T508 S552 N554 V558 F559 E560 | L504-V556 HydrophobicContact CD1-CG2 4.44Å; L504-V556 HydrophobicContact CG-CG2 4.15Å; L504-V556 WeakPolarHBondContact O-CG2 3.26Å; F505-V556 HydrophobicContact CD1-CG2 4.04Å; F505-V556 HydrophobicContact CE1-CG2 4.22Å; T508-V556 HydrophobicContact CG2-CG1 4.11Å; S552-V556 WeakPolarHBondContact O-CG2 3.43Å; S552-V556 PolarHBondContact O-N 2.97Å; N554-V556 VanDerWaalsContact C-N 3.31Å; N554-V556 PolarHBondContact O-N 2.85Å; V556-V558 VanDerWaalsContact C-N 3.31Å; V556-V558 PolarHBondContact O-N 3.43Å; V556-F559 PolarHBondContact O-N 3.01Å; V556-E560 PolarHBondContact O-N 3.2Å |
| 557 | K | 79.7 | Confident | 68.9 | Low | 130 Ų | 130 | 60.8 Ų | 60.8 | 57% | 0.565 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58 | -43.4 | 174.1 | -70.8 | 165 | -165.8 | 164.6 | 0 | 111.9 | D553 N554 H561 | D553-K557 VanDerWaalsContact O-CG 3.28Å; D553-K557 WeakPolarHBondContact O-CG 3.39Å; D553-K557 PolarHBondContact O-N 2.8Å; D553-K557 VanDerWaalsContact O-N 3.09Å; N554-K557 PolarHBondContact O-N 2.74Å; N554-K557 PolarHBondContact OD1-NZ 3.26Å; K557-H561 WeakPolarHBondContact O-CB 3.06Å; K557-H561 PolarHBondContact O-N 3.17Å |
| 558 | V | 81.6 | Confident | 71.7 | Confident | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 177.5 | 165.4 | 0 | 0 | 0 | 0 | 111.8 | L475 N554 L555 V556 H561 L562 L1016 F1020 | L475-V558 HydrophobicContact CB-CG1 4.42Å; L475-V558 HydrophobicContact CD1-CG1 4.14Å; N554-V558 VanDerWaalsContact O-CG2 3.31Å; N554-V558 WeakPolarHBondContact O-CG2 3.41Å; N554-V558 PolarHBondContact O-N 2.91Å; L555-V558 PolarHBondContact O-N 3.4Å; V556-V558 VanDerWaalsContact C-N 3.31Å; V556-V558 PolarHBondContact O-N 3.43Å; V558-H561 PolarHBondContact O-N 2.74Å; V558-L562 HydrophobicContact CG1-CD1 3.96Å; V558-L562 HydrophobicContact CG1-CG 4.49Å; V558-L562 WeakPolarHBondContact O-CG 3.2Å; V558-L562 PolarHBondContact O-N 3.03Å; V558-L1016 HydrophobicContact CB-CD2 4.23Å; V558-L1016 HydrophobicContact CG1-CD2 3.79Å; V558-L1016 HydrophobicContact CG2-CD2 3.79Å; V558-F1020 HydrophobicContact CB-CD2 4.49Å; V558-F1020 HydrophobicContact CB-CE2 4.14Å; V558-F1020 HydrophobicContact CB-CZ 4.46Å; V558-F1020 HydrophobicContact CG1-CD2 4.26Å; V558-F1020 HydrophobicContact CG1-CE1 4.38Å; V558-F1020 HydrophobicContact CG1-CE2 3.45Å; V558-F1020 VanDerWaalsContact CG1-CE2 3.45Å; V558-F1020 HydrophobicContact CG1-CZ 3.52Å; V558-F1020 HydrophobicContact CG2-CD2 3.59Å; V558-F1020 HydrophobicContact CG2-CE2 3.64Å; V558-F1020 HydrophobicContact CG2-CG 4.31Å; V558-F1020 HydrophobicContact CG2-CZ 4.38Å |
| 559 | F | 87.3 | Confident | 74.5 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 177.2 | 177 | -88 | 0 | 0 | 0 | 112 | L475 L494 A497 L498 F505 L555 V556 H561 L562 K563 W642 | L475-F559 HydrophobicContact CD2-CB 4.3Å; L475-F559 HydrophobicContact CD2-CD2 4.12Å; L494-F559 HydrophobicContact CD1-CD2 3.54Å; L494-F559 HydrophobicContact CD1-CE2 3.36Å; L494-F559 HydrophobicContact CD1-CG 4.36Å; L494-F559 HydrophobicContact CD1-CZ 4.07Å; L494-F559 HydrophobicContact CG-CD2 4.49Å; L494-F559 HydrophobicContact CG-CE2 3.86Å; L494-F559 HydrophobicContact CG-CZ 4.19Å; A497-F559 HydrophobicContact CB-CE2 4.4Å; L498-F559 HydrophobicContact CB-CE2 4.22Å; L498-F559 HydrophobicContact CB-CZ 4Å; L498-F559 HydrophobicContact CD1-CZ 4.09Å; L498-F559 HydrophobicContact CG-CZ 4.49Å; F505-F559 HydrophobicContact CD1-CB 4.02Å; F505-F559 AromaticContact CD1-CD1 3.86Å; F505-F559 HydrophobicContact CD1-CD1 3.86Å; F505-F559 HydrophobicContact CD1-CD2 4.33Å; F505-F559 HydrophobicContact CD1-CE1 4.45Å; F505-F559 AromaticContact CD1-CG 3.81Å; F505-F559 HydrophobicContact CD1-CG 3.81Å; F505-F559 HydrophobicContact CE1-CB 3.41Å; F505-F559 VanDerWaalsContact CE1-CB 3.41Å; F505-F559 HydrophobicContact CE1-CD1 4.07Å; F505-F559 AromaticContact CE1-CD2 3.88Å; F505-F559 HydrophobicContact CE1-CD2 3.88Å; F505-F559 AromaticContact CE1-CG 3.52Å; F505-F559 HydrophobicContact CE1-CG 3.52Å; F505-F559 HydrophobicContact CE2-CD2 4.12Å; F505-F559 HydrophobicContact CE2-CE2 4.37Å; F505-F559 HydrophobicContact CG-CD1 4.36Å; F505-F559 HydrophobicContact CG-CG 4.46Å; F505-F559 HydrophobicContact CZ-CB 3.99Å; F505-F559 AromaticContact CZ-CD2 3.76Å; F505-F559 HydrophobicContact CZ-CD2 3.76Å; F505-F559 HydrophobicContact CZ-CE2 4.45Å; F505-F559 AromaticContact CZ-CG 3.91Å; F505-F559 HydrophobicContact CZ-CG 3.91Å; L555-F559 WeakPolarHBondContact O-CB 3.43Å; L555-F559 PolarHBondContact O-N 3.3Å; V556-F559 PolarHBondContact O-N 3.01Å; F559-H561 VanDerWaalsContact C-N 3.34Å; F559-H561 PolarHBondContact O-N 2.96Å; F559-L562 PolarHBondContact O-N 2.88Å; F559-K563 HydrophobicContact CE1-CD 4.06Å; F559-K563 VanDerWaalsContact O-CB 3.29Å; F559-K563 WeakPolarHBondContact O-CB 3.46Å; F559-K563 PolarHBondContact O-N 2.84Å; F559-W642 HydrophobicContact CE1-CH2 4.45Å |
| 560 | E | 86.8 | Confident | 77.2 | Confident | 60 Ų | 60 | 47.9 Ų | 47.9 | 28% | 0.28 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.2 | -33.2 | 178.7 | -71.2 | -62.8 | 144.1 | 0 | 0 | 112.3 | V556 K563 S564 W642 | V556-E560 PolarHBondContact O-N 3.2Å; E560-K563 IonicContact OE1-NZ 2.83Å; E560-K563 PolarHBondContact OE1-NZ 2.95Å; E560-K563 WeakPolarHBondContact OE2-CD 3.45Å; E560-K563 WeakPolarHBondContact OE2-CE 3.32Å; E560-K563 IonicContact OE2-NZ 2.74Å; E560-K563 PolarHBondContact OE2-NZ 2.8Å; E560-S564 WeakPolarHBondContact O-CB 3.33Å; E560-S564 PolarHBondContact O-N 3.09Å; E560-W642 WeakPolarHBondContact OE1-CZ2 3.28Å |
| 561 | H | 88.6 | Confident | 79.9 | Confident | 79 Ų | 79 | 50.6 Ų | 50.6 | 37% | 0.366 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.4 | -52.1 | 171.5 | 178.5 | 89.2 | 0 | 0 | 0 | 111.6 | K557 V558 F559 K563 S564 T565 F1020 | K557-H561 WeakPolarHBondContact O-CB 3.06Å; K557-H561 PolarHBondContact O-N 3.17Å; V558-H561 PolarHBondContact O-N 2.74Å; F559-H561 VanDerWaalsContact C-N 3.34Å; F559-H561 PolarHBondContact O-N 2.96Å; H561-K563 VanDerWaalsContact C-N 3.28Å; H561-K563 PolarHBondContact O-N 2.9Å; H561-S564 WeakPolarHBondContact O-CB 3.43Å; H561-S564 PolarHBondContact O-N 2.74Å; H561-S564 VanDerWaalsContact O-N 3.09Å; H561-T565 PolarHBondContact O-N 2.93Å; H561-T565 PolarHBondContact O-OG1 3.41Å; H561-F1020 AromaticContact CD2-CD1 3.38Å; H561-F1020 WeakPolarHBondContact CD2-CD1 3.12Å; H561-F1020 AromaticContact CD2-CE1 3.59Å; H561-F1020 AromaticContact NE2-CD1 3.73Å |
| 562 | L | 90.4 | Very high | 81.8 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.1 | -38.6 | 178.2 | -71.3 | 170.5 | 0 | 0 | 0 | 112.3 | L475 V478 R479 L482 V558 F559 T565 L566 F1020 | L475-L562 HydrophobicContact CB-CD1 4.19Å; L475-L562 HydrophobicContact CD2-CD1 4.08Å; L475-L562 WeakPolarHBondContact O-CD1 3.38Å; V478-L562 HydrophobicContact CB-CD1 4.41Å; V478-L562 HydrophobicContact CG1-CB 4.16Å; V478-L562 HydrophobicContact CG1-CD1 4.23Å; V478-L562 HydrophobicContact CG1-CD2 4.39Å; R479-L562 HydrophobicContact CB-CD2 3.99Å; R479-L562 HydrophobicContact CG-CD2 4.34Å; L482-L562 HydrophobicContact CD1-CD2 4.02Å; V558-L562 HydrophobicContact CG1-CD1 3.96Å; V558-L562 HydrophobicContact CG1-CG 4.49Å; V558-L562 WeakPolarHBondContact O-CG 3.2Å; V558-L562 PolarHBondContact O-N 3.03Å; F559-L562 PolarHBondContact O-N 2.88Å; L562-T565 PolarHBondContact O-N 3.07Å; L562-L566 WeakPolarHBondContact O-CB 3.43Å; L562-L566 PolarHBondContact O-N 2.77Å; L562-F1020 HydrophobicContact CD1-CZ 4.25Å; L562-F1020 HydrophobicContact CD2-CE1 3.85Å; L562-F1020 HydrophobicContact CD2-CZ 4.05Å; L562-F1020 HydrophobicContact CG-CE1 4.05Å; L562-F1020 HydrophobicContact CG-CZ 4.11Å |
| 563 | K | 89.7 | Confident | 82.8 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 173.4 | -179.1 | 177.1 | 158.2 | -154.2 | 0 | 112 | L494 F559 E560 H561 L567 F645 | L494-K563 HydrophobicContact CD2-CB 3.86Å; L494-K563 HydrophobicContact CD2-CG 4.32Å; F559-K563 HydrophobicContact CE1-CD 4.06Å; F559-K563 VanDerWaalsContact O-CB 3.29Å; F559-K563 WeakPolarHBondContact O-CB 3.46Å; F559-K563 PolarHBondContact O-N 2.84Å; E560-K563 IonicContact OE1-NZ 2.83Å; E560-K563 PolarHBondContact OE1-NZ 2.95Å; E560-K563 WeakPolarHBondContact OE2-CD 3.45Å; E560-K563 WeakPolarHBondContact OE2-CE 3.32Å; E560-K563 IonicContact OE2-NZ 2.74Å; E560-K563 PolarHBondContact OE2-NZ 2.8Å; H561-K563 VanDerWaalsContact C-N 3.28Å; H561-K563 PolarHBondContact O-N 2.9Å; K563-L567 WeakPolarHBondContact O-CG 3.43Å; K563-L567 PolarHBondContact O-N 3.48Å; K563-F645 HydrophobicContact CG-CE2 4.44Å |
| 564 | S | 89.5 | Confident | 83.6 | Confident | 75 Ų | 75 | 49.8 Ų | 49.8 | 52% | 0.524 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 176.3 | -166 | 0 | 0 | 0 | 0 | 111.7 | E560 H561 L566 L567 A568 | E560-S564 WeakPolarHBondContact O-CB 3.33Å; E560-S564 PolarHBondContact O-N 3.09Å; H561-S564 WeakPolarHBondContact O-CB 3.43Å; H561-S564 PolarHBondContact O-N 2.74Å; H561-S564 VanDerWaalsContact O-N 3.09Å; S564-L566 PolarHBondContact O-N 2.78Å; S564-L567 PolarHBondContact O-N 3.16Å; S564-A568 WeakPolarHBondContact O-CB 3.44Å; S564-A568 PolarHBondContact O-N 2.92Å |
| 565 | T | 90.4 | Very high | 84.2 | Confident | 53 Ų | 53 | 50.9 Ų | 50.9 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.6 | -43.8 | 176.7 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | L482 H561 L562 A568 R569 | L482-T565 HydrophobicContact CD1-CG2 4.11Å; H561-T565 PolarHBondContact O-N 2.93Å; H561-T565 PolarHBondContact O-OG1 3.41Å; L562-T565 PolarHBondContact O-N 3.07Å; T565-A568 PolarHBondContact O-N 2.97Å; T565-R569 WeakPolarHBondContact O-CB 3.36Å; T565-R569 PolarHBondContact O-N 2.89Å |
| 566 | L | 88.2 | Confident | 84.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.7 | -51.6 | 175.3 | 176.4 | 65.3 | 0 | 0 | 0 | 111.3 | L482 L487 A490 R491 L494 L562 S564 A568 R569 E570 F645 | L482-L566 HydrophobicContact CD2-CB 4.02Å; L482-L566 HydrophobicContact CD2-CD1 3.77Å; L487-L566 HydrophobicContact CB-CD1 4.22Å; L487-L566 HydrophobicContact CD2-CD1 4.25Å; A490-L566 HydrophobicContact CB-CD1 4.11Å; R491-L566 HydrophobicContact CB-CD2 3.93Å; R491-L566 HydrophobicContact CG-CD2 4.27Å; L494-L566 HydrophobicContact CD2-CD2 4.16Å; L562-L566 WeakPolarHBondContact O-CB 3.43Å; L562-L566 PolarHBondContact O-N 2.77Å; S564-L566 PolarHBondContact O-N 2.78Å; L566-A568 VanDerWaalsContact C-N 3.31Å; L566-A568 PolarHBondContact O-N 2.85Å; L566-R569 PolarHBondContact O-N 2.93Å; L566-E570 HydrophobicContact CD1-CG 4.32Å; L566-E570 WeakPolarHBondContact O-CG 3.37Å; L566-E570 PolarHBondContact O-N 2.9Å; L566-F645 HydrophobicContact CD2-CZ 4.08Å |
| 567 | L | 88.2 | Confident | 83.9 | Confident | 54 Ų | 54 | 54 Ų | 54 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.4 | -34.6 | -179.5 | -67.9 | 170.6 | 0 | 0 | 0 | 112.4 | K563 S564 K571 F645 | K563-L567 WeakPolarHBondContact O-CG 3.43Å; K563-L567 PolarHBondContact O-N 3.48Å; S564-L567 PolarHBondContact O-N 3.16Å; L567-K571 WeakPolarHBondContact O-CG 3.16Å; L567-K571 PolarHBondContact O-N 2.79Å; L567-F645 HydrophobicContact CD2-CE2 4.24Å |
| 568 | A | 88 | Confident | 83.4 | Confident | 56 Ų | 56 | 52.6 Ų | 52.6 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67.6 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S564 T565 L566 K571 Q572 | S564-A568 WeakPolarHBondContact O-CB 3.44Å; S564-A568 PolarHBondContact O-N 2.92Å; T565-A568 PolarHBondContact O-N 2.97Å; L566-A568 VanDerWaalsContact C-N 3.31Å; L566-A568 PolarHBondContact O-N 2.85Å; A568-K571 PolarHBondContact O-N 3.08Å; A568-Q572 PolarHBondContact O-N 2.89Å |
| 569 | R | 85.2 | Confident | 82.7 | Confident | 69 Ų | 69 | 59.6 Ų | 59.6 | 26% | 0.26 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | -179.8 | -170.8 | 58.9 | 173.2 | 173.8 | -1.9 | 112.3 | D485 L487 T565 L566 Q572 L573 | D485-R569 IonicContact OD1-CZ 3.26Å; D485-R569 VanDerWaalsContact OD1-CZ 3.26Å; D485-R569 IonicContact OD1-NE 2.71Å; D485-R569 PolarHBondContact OD1-NE 2.81Å; D485-R569 IonicContact OD1-NH2 2.92Å; D485-R569 PolarHBondContact OD1-NH2 3.22Å; D485-R569 IonicContact OD2-CZ 3.74Å; D485-R569 IonicContact OD2-NE 2.87Å; D485-R569 IonicContact OD2-NH2 3.26Å; D485-R569 PolarHBondContact OD2-NH2 3.04Å; L487-R569 HydrophobicContact CD1-CG 4.07Å; L487-R569 HydrophobicContact CD2-CB 4.25Å; L487-R569 HydrophobicContact CD2-CG 3.74Å; T565-R569 WeakPolarHBondContact O-CB 3.36Å; T565-R569 PolarHBondContact O-N 2.89Å; L566-R569 PolarHBondContact O-N 2.93Å; R569-Q572 WeakPolarHBondContact O-CB 3.41Å; R569-Q572 PolarHBondContact O-N 3.26Å; R569-L573 PolarHBondContact O-N 2.96Å |
| 570 | E | 84.9 | Confident | 81.4 | Confident | 13 Ų | 13 | 64.7 Ų | 64.7 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.7 | -52.1 | 172.5 | -72.9 | 174.8 | 160.7 | 0 | 0 | 110.9 | L487 R491 L566 Q572 L573 E574 | L487-E570 HydrophobicContact CB-CG 4.48Å; L487-E570 HydrophobicContact CD1-CG 3.89Å; R491-E570 IonicContact CZ-OE1 3.73Å; R491-E570 VanDerWaalsContact CZ-OE1 3.26Å; R491-E570 IonicContact CZ-OE2 2.71Å; R491-E570 IonicContact NE-OE1 3.92Å; R491-E570 PolarHBondContact NE-OE1 3.09Å; R491-E570 IonicContact NE-OE2 3.47Å; R491-E570 IonicContact NH2-OE1 2.73Å; R491-E570 PolarHBondContact NH2-OE1 3.25Å; R491-E570 IonicContact NH2-OE2 3.38Å; R491-E570 PolarHBondContact NH2-OE2 2.79Å; L566-E570 HydrophobicContact CD1-CG 4.32Å; L566-E570 WeakPolarHBondContact O-CG 3.37Å; L566-E570 PolarHBondContact O-N 2.9Å; E570-Q572 VanDerWaalsContact C-N 3.31Å; E570-Q572 PolarHBondContact O-N 2.75Å; E570-L573 PolarHBondContact O-N 2.84Å; E570-E574 WeakPolarHBondContact O-CG 3.13Å; E570-E574 PolarHBondContact O-N 2.83Å |
| 571 | K | 85.4 | Confident | 80 | Confident | 146 Ų | 146 | 66.6 Ų | 66.6 | 64% | 0.635 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58 | -39.9 | 175.5 | -72.6 | 175 | -179.6 | -177.3 | 0 | 113 | L567 A568 S575 | L567-K571 WeakPolarHBondContact O-CG 3.16Å; L567-K571 PolarHBondContact O-N 2.79Å; A568-K571 PolarHBondContact O-N 3.08Å; K571-S575 PolarHBondContact O-N 2.95Å |
| 572 | Q | 83.2 | Confident | 77.9 | Confident | 89 Ų | 89 | 64.6 Ų | 64.6 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.9 | -52 | 178.5 | -172.5 | -175.9 | 14.3 | 0 | 0 | 111.3 | A568 R569 E570 S575 Q576 | A568-Q572 PolarHBondContact O-N 2.89Å; R569-Q572 WeakPolarHBondContact O-CB 3.41Å; R569-Q572 PolarHBondContact O-N 3.26Å; E570-Q572 VanDerWaalsContact C-N 3.31Å; E570-Q572 PolarHBondContact O-N 2.75Å; Q572-S575 PolarHBondContact O-N 3.5Å; Q572-S575 PolarHBondContact O-OG 3.45Å; Q572-Q576 PolarHBondContact O-N 2.6Å |
| 573 | L | 76 | Confident | 76 | Confident | 25 Ų | 25 | 71.4 Ų | 71.4 | 13% | 0.131 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.1 | -33.2 | -179.1 | -63.1 | -174.6 | 0 | 0 | 0 | 112.4 | L487 R569 E570 Q576 S577 L655 | L487-L573 HydrophobicContact CD1-CD1 3.7Å; R569-L573 PolarHBondContact O-N 2.96Å; E570-L573 PolarHBondContact O-N 2.84Å; L573-Q576 VanDerWaalsContact CD2-OE1 3.32Å; L573-Q576 PolarHBondContact O-N 3.13Å; L573-S577 PolarHBondContact O-N 3.36Å; L573-L655 HydrophobicContact CB-CD2 3.75Å; L573-L655 HydrophobicContact CD1-CB 4.26Å; L573-L655 WeakPolarHBondContact CD1-O 3.35Å |
| 574 | E | 78.3 | Confident | 73.9 | Confident | 91 Ų | 91 | 77.4 Ų | 77.4 | 43% | 0.425 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 171.6 | -74.2 | -177.1 | 161.7 | 0 | 0 | 112.1 | E570 Q576 S577 N578 L655 | E570-E574 WeakPolarHBondContact O-CG 3.13Å; E570-E574 PolarHBondContact O-N 2.83Å; E574-Q576 VanDerWaalsContact C-N 3.32Å; E574-Q576 PolarHBondContact O-N 2.72Å; E574-S577 PolarHBondContact O-N 3.32Å; E574-N578 PolarHBondContact O-N 2.76Å; E574-N578 PolarHBondContact O-ND2 3.43Å; E574-L655 HydrophobicContact CG-CD1 3.73Å; E574-L655 HydrophobicContact CG-CD2 4.28Å |
| 575 | S | 79.1 | Confident | 71.9 | Confident | 54 Ų | 54 | 80.3 Ų | 80.3 | 38% | 0.378 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 175.9 | 83.8 | 0 | 0 | 0 | 0 | 112.3 | K571 Q572 K579 | K571-S575 PolarHBondContact O-N 2.95Å; Q572-S575 PolarHBondContact O-N 3.5Å; Q572-S575 PolarHBondContact O-OG 3.45Å; S575-K579 WeakPolarHBondContact O-CG 3.41Å; S575-K579 PolarHBondContact O-N 3Å |
| 576 | Q | 71.4 | Confident | 69.6 | Low | 93 Ų | 93 | 83.9 Ų | 83.9 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67.9 | -44.1 | 175.8 | -69.1 | 176.8 | -10.7 | 0 | 0 | 111.6 | Q572 L573 E574 N578 K579 L580 | Q572-Q576 PolarHBondContact O-N 2.6Å; L573-Q576 VanDerWaalsContact CD2-OE1 3.32Å; L573-Q576 PolarHBondContact O-N 3.13Å; E574-Q576 VanDerWaalsContact C-N 3.32Å; E574-Q576 PolarHBondContact O-N 2.72Å; Q576-N578 VanDerWaalsContact C-N 3.31Å; Q576-N578 PolarHBondContact O-N 3.46Å; Q576-K579 PolarHBondContact O-N 3.38Å; Q576-L580 PolarHBondContact O-N 2.84Å |
| 577 | S | 69 | Low | 67.5 | Low | 26 Ų | 26 | 88.2 Ų | 88.2 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 176.8 | -169.6 | 0 | 0 | 0 | 0 | 112.3 | L573 E574 L580 K581 | L573-S577 PolarHBondContact O-N 3.36Å; E574-S577 PolarHBondContact O-N 3.32Å; S577-L580 PolarHBondContact O-N 2.77Å; S577-K581 WeakPolarHBondContact O-CG 3.5Å; S577-K581 PolarHBondContact O-N 3.31Å; S577-K581 VanDerWaalsContact O-N 3.14Å |
| 578 | N | 69.9 | Low | 65.2 | Low | 99 Ų | 99 | 88.8 Ų | 88.8 | 53% | 0.529 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.5 | -37.1 | 176.8 | -69.6 | -24.2 | 0 | 0 | 0 | 112.4 | E574 Q576 L580 K581 G582 | E574-N578 PolarHBondContact O-N 2.76Å; E574-N578 PolarHBondContact O-ND2 3.43Å; Q576-N578 VanDerWaalsContact C-N 3.31Å; Q576-N578 PolarHBondContact O-N 3.46Å; N578-L580 VanDerWaalsContact C-N 3.34Å; N578-L580 PolarHBondContact O-N 2.98Å; N578-K581 PolarHBondContact O-N 3.44Å; N578-G582 PolarHBondContact O-N 2.69Å |
| 579 | K | 67.3 | Low | 63 | Low | 154 Ų | 154 | 91.7 Ų | 91.7 | 67% | 0.67 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61 | -40 | 171.5 | -76.3 | 174.6 | 178.8 | -179.7 | 0 | 112.4 | S575 Q576 G582 K583 | S575-K579 WeakPolarHBondContact O-CG 3.41Å; S575-K579 PolarHBondContact O-N 3Å; Q576-K579 PolarHBondContact O-N 3.38Å; K579-G582 PolarHBondContact O-N 2.74Å; K579-K583 PolarHBondContact O-N 2.94Å |
| 580 | L | 59.1 | Low | 60.9 | Low | 111 Ų | 111 | 97.7 Ų | 97.7 | 58% | 0.581 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64 | -48.9 | 176.2 | -76.4 | 162.7 | 0 | 0 | 0 | 112 | Q576 S577 N578 G582 K583 E584 | Q576-L580 PolarHBondContact O-N 2.84Å; S577-L580 PolarHBondContact O-N 2.77Å; N578-L580 VanDerWaalsContact C-N 3.34Å; N578-L580 PolarHBondContact O-N 2.98Å; L580-G582 VanDerWaalsContact C-N 3.26Å; L580-G582 PolarHBondContact O-N 3.4Å; L580-K583 PolarHBondContact O-N 3.23Å; L580-K583 VanDerWaalsContact O-N 3.09Å; L580-E584 PolarHBondContact O-N 3.31Å |
| 581 | K | 58.2 | Low | 58.8 | Low | 100 Ų | 100 | 105.4 Ų | 105.4 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59 | -35.4 | 175.4 | -69.1 | 172.2 | -172.6 | 166.7 | 0 | 113.2 | S577 N578 E584 K585 | S577-K581 WeakPolarHBondContact O-CG 3.5Å; S577-K581 PolarHBondContact O-N 3.31Å; S577-K581 VanDerWaalsContact O-N 3.14Å; N578-K581 PolarHBondContact O-N 3.44Å; K581-E584 PolarHBondContact O-N 2.94Å; K581-K585 PolarHBondContact O-N 3Å |
| 582 | G | 44.2 | Very low | 56.5 | Low | 36 Ų | 36 | 104.4 Ų | 104.4 | 37% | 0.371 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N578 K579 L580 Q586 | N578-G582 PolarHBondContact O-N 2.69Å; K579-G582 PolarHBondContact O-N 2.74Å; L580-G582 VanDerWaalsContact C-N 3.26Å; L580-G582 PolarHBondContact O-N 3.4Å; G582-Q586 PolarHBondContact O-N 3.41Å |
| 583 | K | 49.8 | Very low | 54.2 | Low | 148 Ų | 148 | 104.4 Ų | 104.4 | 64% | 0.643 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.7 | -42.8 | 174.4 | -71.3 | -174.2 | 174 | -171.7 | 0 | 112.3 | K579 L580 K585 Q586 V587 | K579-K583 PolarHBondContact O-N 2.94Å; L580-K583 PolarHBondContact O-N 3.23Å; L580-K583 VanDerWaalsContact O-N 3.09Å; K583-K585 PolarHBondContact O-N 2.97Å; K583-Q586 PolarHBondContact O-N 2.98Å; K583-V587 WeakPolarHBondContact O-CG2 3.28Å; K583-V587 PolarHBondContact O-N 3.46Å |
| 584 | E | 45.6 | Very low | 52.2 | Low | 133 Ų | 133 | 109.7 Ų | 109.7 | 62% | 0.621 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.1 | -45.1 | 176.9 | -72.2 | 175.6 | 159.2 | 0 | 0 | 111.8 | L580 K581 V587 S588 | L580-E584 PolarHBondContact O-N 3.31Å; K581-E584 PolarHBondContact O-N 2.94Å; E584-V587 PolarHBondContact O-N 3.42Å; E584-S588 PolarHBondContact O-N 3.43Å; E584-S588 PolarHBondContact O-OG 2.81Å |
| 585 | K | 49 | Very low | 50.2 | Low | 137 Ų | 137 | 114.1 Ų | 114.1 | 60% | 0.596 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.9 | -46.4 | 176.4 | -79.8 | -167.1 | 168.3 | -160.3 | 0 | 113.2 | K581 K583 V587 S588 E589 | K581-K585 PolarHBondContact O-N 3Å; K583-K585 PolarHBondContact O-N 2.97Å; K585-V587 VanDerWaalsContact C-N 3.25Å; K585-V587 PolarHBondContact O-N 2.54Å; K585-S588 WeakPolarHBondContact CA-OG 3.49Å; K585-S588 PolarHBondContact O-N 3.41Å; K585-S588 VanDerWaalsContact O-N 3.14Å; K585-S588 PolarHBondContact O-OG 2.83Å; K585-E589 WeakPolarHBondContact O-CG 3.29Å; K585-E589 PolarHBondContact O-N 2.84Å |
| 586 | Q | 40.8 | Very low | 48.1 | Very low | 128 Ų | 128 | 119.1 Ų | 119.1 | 60% | 0.598 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -62.5 | -32.2 | 177.2 | -73.9 | -177.4 | -11.3 | 0 | 0 | 112.7 | G582 K583 R590 | G582-Q586 PolarHBondContact O-N 3.41Å; K583-Q586 PolarHBondContact O-N 2.98Å; Q586-R590 WeakPolarHBondContact O-CB 3.33Å; Q586-R590 WeakPolarHBondContact O-CG 3.26Å; Q586-R590 PolarHBondContact O-N 3.13Å; Q586-R590 VanDerWaalsContact O-N 3.09Å |
| 587 | V | 45.2 | Very low | 46.4 | Very low | 90 Ų | 90 | 122.2 Ų | 122.2 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.8 | -32.7 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | K583 E584 K585 | K583-V587 WeakPolarHBondContact O-CG2 3.28Å; K583-V587 PolarHBondContact O-N 3.46Å; E584-V587 PolarHBondContact O-N 3.42Å; K585-V587 VanDerWaalsContact C-N 3.25Å; K585-V587 PolarHBondContact O-N 2.54Å |
| 588 | S | 38.6 | Very low | 44.8 | Very low | 66 Ų | 66 | 128.2 Ų | 128.2 | 46% | 0.462 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -71.3 | -42.3 | 171.4 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | E584 K585 K591 | E584-S588 PolarHBondContact O-N 3.43Å; E584-S588 PolarHBondContact O-OG 2.81Å; K585-S588 WeakPolarHBondContact CA-OG 3.49Å; K585-S588 PolarHBondContact O-N 3.41Å; K585-S588 VanDerWaalsContact O-N 3.14Å; K585-S588 PolarHBondContact O-OG 2.83Å; S588-K591 PolarHBondContact O-N 3.39Å; S588-K591 VanDerWaalsContact O-N 3.12Å |
| 589 | E | 43.5 | Very low | 43.4 | Very low | 118 Ų | 118 | 131 Ų | 131 | 55% | 0.551 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.6 | -33.4 | -178.2 | -71.7 | 165.9 | -176.6 | 0 | 0 | 112 | K585 K591 T592 | K585-E589 WeakPolarHBondContact O-CG 3.29Å; K585-E589 PolarHBondContact O-N 2.84Å; E589-K591 PolarHBondContact O-N 3.07Å; E589-T592 PolarHBondContact O-N 2.81Å; E589-T592 PolarHBondContact O-OG1 3.32Å; E589-T592 VanDerWaalsContact O-OG1 3.04Å |
| 590 | R | 39.7 | Very low | 42.1 | Very low | 195 Ų | 195 | 129.8 Ų | 129.8 | 74% | 0.736 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -14.1 | 170.8 | -79 | -175.9 | 171.7 | -167.3 | -3.2 | 114.4 | Q586 | Q586-R590 WeakPolarHBondContact O-CB 3.33Å; Q586-R590 WeakPolarHBondContact O-CG 3.26Å; Q586-R590 PolarHBondContact O-N 3.13Å; Q586-R590 VanDerWaalsContact O-N 3.09Å |
| 591 | K | 40.7 | Very low | 41.2 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 76% | 0.761 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -8.4 | 174.6 | -79.6 | -174.1 | 174.1 | -171.9 | 0 | 113.7 | S588 E589 | S588-K591 PolarHBondContact O-N 3.39Å; S588-K591 VanDerWaalsContact O-N 3.12Å; E589-K591 PolarHBondContact O-N 3.07Å |
| 592 | T | 37.4 | Very low | 40.4 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 76% | 0.761 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -109.7 | 19 | -179 | 52 | 0 | 0 | 0 | 0 | 113.3 | E589 | E589-T592 PolarHBondContact O-N 2.81Å; E589-T592 PolarHBondContact O-OG1 3.32Å; E589-T592 VanDerWaalsContact O-OG1 3.04Å |
| 593 | S | 34.9 | Very low | 40.2 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -134.5 | 16.7 | -176.5 | 64.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 594 | I | 35.5 | Very low | 39.6 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 70% | 0.703 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -139.1 | 69.9 | 177.4 | -48.5 | 178.9 | 0 | 0 | 0 | 109.8 | ||
| 595 | H | 34.6 | Very low | 39.2 | Very low | 183 Ų | 183 | 133.9 Ų | 133.9 | 85% | 0.847 | 71% | 0.71 | S | S | * | * | trans | 177.7 | 104.7 | 147.6 | -99.1 | -61.5 | 0 | 0 | 0 | 107.2 | ||||
| 596 | D | 35.9 | Very low | 38.8 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 72% | 0.718 | S | S | * | * | trans | 176.2 | 95.4 | 149.1 | -90 | -17.7 | 0 | 0 | 0 | 107.3 | ||||
| 597 | N | 35.7 | Very low | 38.9 | Very low | 159 Ų | 159 | 135 Ų | 135 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -161.1 | 139.6 | 164.8 | -105.9 | -29.5 | 0 | 0 | 0 | 108.6 | ||||
| 598 | N | 35.4 | Very low | 38.9 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | trans | 72.6 | 86.4 | -176.7 | -52.7 | -15.3 | 0 | 0 | 0 | 115.7 | ||||
| 599 | D | 40.5 | Very low | 39.1 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | -141.5 | 146.2 | 117.1 | -112.8 | -34.7 | 0 | 0 | 0 | 112.1 | |||||
| 600 | N | 40.9 | Very low | 39 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | trans | -72.9 | 158.6 | -155.1 | -60.7 | -83.5 | 0 | 0 | 0 | 117.4 | ||||
| 601 | N | 39.1 | Very low | 39.1 | Very low | 140 Ų | 140 | 137.2 Ų | 137.2 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | 65.6 | 130.4 | 148.6 | -59.8 | -6 | 0 | 0 | 0 | 117.7 | ||||
| 602 | D | 40.5 | Very low | 39 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -169.6 | 156.3 | 42.1 | -105.6 | -36.8 | 0 | 0 | 0 | 113.4 | ||||
| 603 | T | 40.6 | Very low | 39 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | 67.4 | 100.9 | 152.2 | 54.8 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 604 | N | 37.2 | Very low | 38.9 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | 61.6 | 136.9 | 114.2 | -55.2 | -10.8 | 0 | 0 | 0 | 124.5 | |||||
| 605 | G | 36.7 | Very low | 38.7 | Very low | 64 Ų | 64 | 139.2 Ų | 139.2 | 66% | 0.66 | 77% | 0.771 | S | S | * | * | trans | 119.3 | 82 | 157.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 606 | D | 42.2 | Very low | 38.5 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | 81.1 | 140.4 | 71.5 | -70.4 | -27.9 | 0 | 0 | 0 | 115.3 | |||||
| 607 | N | 42.8 | Very low | 38.2 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 76.7 | 148.9 | 173.3 | -36.2 | -77.3 | 0 | 0 | 0 | 117.5 | ||||
| 608 | D | 44.1 | Very low | 37.9 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | cis | -170.4 | 153 | -43.1 | -107.8 | -13.7 | 0 | 0 | 0 | 108.1 | ||||
| 609 | D | 44.3 | Very low | 37.6 | Very low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | 40.1 | 137.6 | 155.6 | -63.4 | -26 | 0 | 0 | 0 | 123.5 | ||||
| 610 | G | 40 | Very low | 36.9 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 161.6 | 76 | 159.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 611 | D | 43.2 | Very low | 36.2 | Very low | 145 Ų | 145 | 134.3 Ų | 134.3 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | trans | 35.3 | 133.2 | 149.1 | -88.5 | -46.2 | 0 | 0 | 0 | 124.2 | ||||
| 612 | N | 37.2 | Very low | 35.7 | Very low | 133 Ų | 133 | 134.1 Ų | 134.1 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | trans | 27.8 | 125.3 | 136.6 | -62.8 | -51.3 | 0 | 0 | 0 | 118.8 | ||||
| 613 | D | 36.9 | Very low | 35 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | -177.3 | 163.3 | 53.9 | -141.3 | -30.7 | 0 | 0 | 0 | 113.2 | |||||
| 614 | T | 33.6 | Very low | 34.2 | Very low | 107 Ų | 107 | 136.8 Ų | 136.8 | 66% | 0.656 | 78% | 0.784 | S | S | * | * | trans | 64.8 | 120.5 | 165.2 | 55.4 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 615 | K | 32.1 | Very low | 33.7 | Very low | 188 Ų | 188 | 136.9 Ų | 136.9 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | trans | 69.1 | 102 | 143.2 | -61.1 | 166.6 | -177.6 | 169.2 | 0 | 119.8 | ||||
| 616 | K | 29.9 | Very low | 33 | Very low | 197 Ų | 197 | 138.1 Ų | 138.1 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | 173 | 153.1 | 103.5 | -97.3 | 171 | 178.8 | 175.8 | 0 | 115.1 | |||||
| 617 | S | 29.8 | Very low | 32.2 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | 52.4 | 99.6 | 151.7 | 56 | 0 | 0 | 0 | 0 | 120 | ||||
| 618 | T | 28.5 | Very low | 31.5 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -65.9 | 139 | 151.3 | 44.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 619 | V | 29.1 | Very low | 30.6 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -132.6 | 108.7 | 171 | 174.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 620 | S | 26.8 | Very low | 29.9 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -173.9 | 142.5 | 161 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 621 | N | 26.6 | Very low | 29.3 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | 68.6 | 119.6 | 173.6 | -63.5 | 3.8 | 0 | 0 | 0 | 118.7 | ||||
| 622 | P | 28.3 | Very low | 28.5 | Very low | 135 Ų | 135 | 142 Ų | 142 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -112.5 | 78.9 | 157.6 | 37 | -24.2 | 0 | 0 | 0 | 110.9 | ||||
| 623 | E | 25.9 | Very low | 28.3 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -115.5 | 140.8 | 160.8 | -76.4 | -166.1 | 156.1 | 0 | 0 | 109.8 | ||||
| 624 | T | 24 | Very low | 27.8 | Very low | 133 Ų | 133 | 143 Ų | 143 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | 45.8 | 101.4 | 166.1 | -6.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 625 | L | 26 | Very low | 27.5 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | trans | -150.8 | 130.9 | 149.1 | -111.3 | 151.1 | 0 | 0 | 0 | 112.5 | ||||
| 626 | S | 22.6 | Very low | 27.3 | Very low | 90 Ų | 90 | 146.6 Ų | 146.6 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | -74.4 | -168.5 | 173.9 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 627 | F | 24.6 | Very low | 27.2 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | 75.3 | 129.5 | -178.6 | -81.8 | -108.4 | 0 | 0 | 0 | 113.8 | ||||
| 628 | L | 28.7 | Very low | 27.1 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | cis | -134.8 | 151.8 | 18.1 | -87.5 | 146.2 | 0 | 0 | 0 | 112.6 | ||||
| 629 | K | 24.4 | Very low | 27.2 | Very low | 179 Ų | 179 | 141.6 Ų | 141.6 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | trans | -65.2 | 133.1 | 150.6 | -68.5 | 178.2 | 175.3 | -176.8 | 0 | 108.3 | ||||
| 630 | S | 31 | Very low | 27.2 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | trans | -130.4 | 79.8 | 163.1 | 65.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 631 | D | 25.7 | Very low | 27.7 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | trans | -60.1 | 159.1 | 161.2 | -57.4 | -67.5 | 0 | 0 | 0 | 109.8 | ||||
| 632 | N | 27.8 | Very low | 28.1 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | trans | 67.2 | 77.5 | 170.2 | -54.8 | -24 | 0 | 0 | 0 | 118.3 | ||||
| 633 | I | 31.7 | Very low | 28.3 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 84% | 0.841 | 72% | 0.717 | S | S | * | * | trans | -129.9 | 53.5 | 154.2 | -43.3 | 179.6 | 0 | 0 | 0 | 110.6 | ||||
| 634 | C | 27.5 | Very low | 28.8 | Very low | 127 Ų | 127 | 131 Ų | 131 | 86% | 0.858 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -124.5 | -3 | 170.7 | -148.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 635 | E | 27.7 | Very low | 29.8 | Very low | 185 Ų | 185 | 125.6 Ų | 125.6 | 86% | 0.864 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -125.8 | 66.8 | -179.3 | -66.2 | -165.6 | 145 | 0 | 0 | 111.8 | ||
| 636 | Q | 27 | Very low | 30.6 | Very low | 185 Ų | 185 | 122.7 Ų | 122.7 | 86% | 0.864 | 66% | 0.66 | S | S | * | * | trans | -175.2 | 73.2 | 158.5 | -105.7 | 163.7 | 38.6 | 0 | 0 | 111.1 | ||||
| 637 | I | 28.5 | Very low | 31.6 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | trans | -120 | 72.1 | 159.5 | -53.9 | -178 | 0 | 0 | 0 | 107.5 | ||||
| 638 | S | 26.8 | Very low | 32.6 | Very low | 83 Ų | 83 | 120.6 Ų | 120.6 | 58% | 0.58 | 65% | 0.645 | S | S | * | * | trans | -71.9 | 122.2 | 174.8 | 46.4 | 0 | 0 | 0 | 0 | 111.1 | E640 | S638-E640 VanDerWaalsContact C-N 3.25Å; S638-E640 PolarHBondContact O-N 3.42Å | ||
| 639 | S | 30.5 | Very low | 33.5 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 76% | 0.762 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 43 | -23.2 | 151.8 | 47.2 | 0 | 0 | 0 | 0 | 123.5 | ||
| 640 | E | 30.2 | Very low | 34.7 | Very low | 156 Ų | 156 | 122.6 Ų | 122.6 | 73% | 0.729 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -9.4 | -171.8 | -60.2 | -174 | 153 | 0 | 0 | 114 | S638 W642 N643 | S638-E640 VanDerWaalsContact C-N 3.25Å; S638-E640 PolarHBondContact O-N 3.42Å; E640-W642 PolarHBondContact O-N 3.34Å; E640-W642 VanDerWaalsContact O-N 3.09Å; E640-N643 PolarHBondContact O-N 3.49Å |
| 641 | S | 36.6 | Very low | 36 | Very low | 39 Ų | 39 | 119.8 Ų | 119.8 | 27% | 0.273 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -54.6 | -30.4 | -174.6 | 167.9 | 0 | 0 | 0 | 0 | 115.1 | N643 C644 | S641-N643 VanDerWaalsContact C-N 3.35Å; S641-N643 PolarHBondContact O-N 3.11Å; S641-C644 PolarHBondContact O-N 3.07Å |
| 642 | W | 34.2 | Very low | 37.8 | Very low | 68 Ų | 68 | 116.7 Ų | 116.7 | 26% | 0.258 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.6 | -30.4 | -174.3 | -72.7 | 94.3 | 0 | 0 | 0 | 113.8 | L498 F559 E560 E640 F645 | L498-W642 HydrophobicContact CD1-CH2 4.22Å; L498-W642 HydrophobicContact CD1-CZ3 3.96Å; L498-W642 HydrophobicContact CD2-CZ3 3.94Å; F559-W642 HydrophobicContact CE1-CH2 4.45Å; E560-W642 WeakPolarHBondContact OE1-CZ2 3.28Å; E640-W642 PolarHBondContact O-N 3.34Å; E640-W642 VanDerWaalsContact O-N 3.09Å; W642-F645 PolarHBondContact O-N 2.95Å |
| 643 | N | 32.4 | Very low | 39.6 | Very low | 118 Ų | 118 | 112.2 Ų | 112.2 | 63% | 0.631 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.3 | -32.8 | 179.9 | -75.7 | -17.7 | 0 | 0 | 0 | 112.4 | E640 S641 F645 N646 H647 | E640-N643 PolarHBondContact O-N 3.49Å; S641-N643 VanDerWaalsContact C-N 3.35Å; S641-N643 PolarHBondContact O-N 3.11Å; N643-F645 VanDerWaalsContact C-N 3.33Å; N643-F645 PolarHBondContact O-N 3.22Å; N643-N646 PolarHBondContact O-N 2.99Å; N643-H647 PolarHBondContact O-N 3.16Å |
| 644 | C | 37.5 | Very low | 41.3 | Very low | 90 Ų | 90 | 110.7 Ų | 110.7 | 61% | 0.608 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.8 | -36.7 | 176.1 | -69.6 | 0 | 0 | 0 | 0 | 112.2 | S641 N646 D648 | S641-C644 PolarHBondContact O-N 3.07Å; C644-N646 VanDerWaalsContact C-N 3.28Å; C644-N646 PolarHBondContact O-N 3.2Å; C644-D648 PolarHBondContact O-N 3.28Å |
| 645 | F | 45.3 | Very low | 43.5 | Very low | 20 Ų | 20 | 105.4 Ų | 105.4 | 9% | 0.088 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -68.2 | -27.9 | -177.4 | -134 | -101.1 | 0 | 0 | 0 | 113 | R491 L494 K495 K563 L566 L567 W642 N643 | R491-F645 HydrophobicContact CG-CZ 4.35Å; L494-F645 HydrophobicContact CD2-CZ 4.01Å; K495-F645 HydrophobicContact CD-CE1 4.49Å; K495-F645 WeakPolarHBondContact CE-O 3.44Å; K495-F645 HydrophobicContact CG-CD1 4.06Å; K495-F645 HydrophobicContact CG-CE1 3.78Å; K495-F645 PolarHBondContact NZ-O 3.08Å; K563-F645 HydrophobicContact CG-CE2 4.44Å; L566-F645 HydrophobicContact CD2-CZ 4.08Å; L567-F645 HydrophobicContact CD2-CE2 4.24Å; W642-F645 PolarHBondContact O-N 2.95Å; N643-F645 VanDerWaalsContact C-N 3.33Å; N643-F645 PolarHBondContact O-N 3.22Å |
| 646 | N | 43 | Very low | 46.1 | Very low | 108 Ų | 108 | 96.6 Ų | 96.6 | 58% | 0.578 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -90.1 | -28.6 | -178.4 | -74.5 | -26.8 | 0 | 0 | 0 | 114.3 | N643 C644 | N643-N646 PolarHBondContact O-N 2.99Å; C644-N646 VanDerWaalsContact C-N 3.28Å; C644-N646 PolarHBondContact O-N 3.2Å |
| 647 | H | 43.3 | Very low | 48.8 | Very low | 154 Ų | 154 | 87.9 Ų | 87.9 | 71% | 0.713 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -101.7 | -15.2 | -170.7 | -83.8 | -72.9 | 0 | 0 | 0 | 116.5 | N643 N649 | N643-H647 PolarHBondContact O-N 3.16Å; H647-N649 PolarHBondContact O-N 3.44Å; H647-N649 VanDerWaalsContact O-N 3.15Å |
| 648 | D | 46 | Very low | 51.5 | Low | 82 Ų | 82 | 80.8 Ų | 80.8 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | trans | -85.8 | 95.5 | -173.4 | -137.5 | -26.4 | 0 | 0 | 0 | 113.5 | C644 R650 | C644-D648 PolarHBondContact O-N 3.28Å; D648-R650 PolarHBondContact O-N 3.44Å; D648-R650 VanDerWaalsContact O-N 3.16Å; D648-R650 WeakPolarHBondContact OD1-CB 3.45Å; D648-R650 WeakPolarHBondContact OD1-CG 3.38Å; D648-R650 PolarHBondContact OD1-N 2.98Å | ||
| 649 | N | 46.7 | Very low | 54.3 | Low | 160 Ų | 160 | 76.9 Ų | 76.9 | 86% | 0.856 | 39% | 0.393 | S | S | * | . | trans | -69.7 | 3.2 | 172.8 | -81.4 | -33.1 | 0 | 0 | 0 | 113.6 | H647 I651 | H647-N649 PolarHBondContact O-N 3.44Å; H647-N649 VanDerWaalsContact O-N 3.15Å; N649-I651 VanDerWaalsContact C-N 3.34Å; N649-I651 PolarHBondContact O-N 2.91Å | ||
| 650 | R | 49.7 | Very low | 56.9 | Low | 208 Ų | 208 | 73 Ų | 73 | 79% | 0.785 | 36% | 0.364 | S | S | * | . | trans | -83 | 73.7 | 179.4 | -65 | 179.2 | 178.8 | -173 | 2.8 | 112 | D648 N652 | D648-R650 PolarHBondContact O-N 3.44Å; D648-R650 VanDerWaalsContact O-N 3.16Å; D648-R650 WeakPolarHBondContact OD1-CB 3.45Å; D648-R650 WeakPolarHBondContact OD1-CG 3.38Å; D648-R650 PolarHBondContact OD1-N 2.98Å; R650-N652 PolarHBondContact O-N 3.21Å | ||
| 651 | I | 57.9 | Low | 59.4 | Low | 43 Ų | 43 | 65.6 Ų | 65.6 | 22% | 0.221 | 33% | 0.33 | C | S | . | . | trans | -69.3 | 107.7 | 158.8 | -64.5 | 179.5 | 0 | 0 | 0 | 106.8 | L321 N488 N649 P653 | L321-I651 HydrophobicContact CD2-CG2 3.8Å; N488-I651 HydrophobicContact CB-CG2 4.02Å; N488-I651 VanDerWaalsContact CG-CG2 3.43Å; N488-I651 WeakPolarHBondContact OD1-CG2 3.44Å; N649-I651 VanDerWaalsContact C-N 3.34Å; N649-I651 PolarHBondContact O-N 2.91Å; I651-P653 WeakPolarHBondContact O-CD 3.38Å | ||
| 652 | N | 64 | Low | 61.6 | Low | 52 Ų | 52 | 63.8 Ų | 63.8 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | -91.7 | 105 | -179.6 | -173.3 | -8.5 | 0 | 0 | 0 | 109.8 | N488 R650 K654 L655 | N488-N652 PolarHBondContact ND2-O 3.47Å; N488-N652 VanDerWaalsContact ND2-O 3.14Å; R650-N652 PolarHBondContact O-N 3.21Å; N652-K654 PolarHBondContact O-N 2.89Å; N652-K654 WeakPolarHBondContact OD1-CB 3.5Å; N652-K654 PolarHBondContact OD1-N 3.2Å; N652-K654 VanDerWaalsContact OD1-N 3.13Å; N652-L655 HydrophobicContact CB-CD1 3.86Å; N652-L655 HydrophobicContact CB-CG 3.97Å; N652-L655 PolarHBondContact O-N 2.91Å | ||
| 653 | P | 64.6 | Low | 63.9 | Low | 56 Ų | 56 | 60.5 Ų | 60.5 | 36% | 0.364 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -65.2 | -20.7 | -177.9 | 27.4 | -35.5 | 0 | 0 | 0 | 112.7 | L321 I651 L655 C656 | L321-P653 HydrophobicContact CD2-CB 4.08Å; I651-P653 WeakPolarHBondContact O-CD 3.38Å; P653-L655 PolarHBondContact O-N 2.87Å; P653-C656 PolarHBondContact O-N 2.83Å |
| 654 | K | 68.7 | Low | 66.2 | Low | 133 Ų | 133 | 58.3 Ų | 58.3 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -68.7 | -23.4 | -178.9 | -60.5 | -165.7 | 174.1 | -164 | 0 | 113.3 | N652 R665 | N652-K654 PolarHBondContact O-N 2.89Å; N652-K654 WeakPolarHBondContact OD1-CB 3.5Å; N652-K654 PolarHBondContact OD1-N 3.2Å; N652-K654 VanDerWaalsContact OD1-N 3.13Å; K654-R665 PolarHBondContact O-NH1 2.79Å |
| 655 | L | 73.8 | Confident | 68 | Low | 15 Ų | 15 | 57.9 Ų | 57.9 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -91.8 | -0.9 | -177.3 | -48.2 | 178.2 | 0 | 0 | 0 | 113.8 | L487 L573 E574 N652 P653 | L487-L655 HydrophobicContact CD1-CB 4.4Å; L573-L655 HydrophobicContact CB-CD2 3.75Å; L573-L655 HydrophobicContact CD1-CB 4.26Å; L573-L655 WeakPolarHBondContact CD1-O 3.35Å; E574-L655 HydrophobicContact CG-CD1 3.73Å; E574-L655 HydrophobicContact CG-CD2 4.28Å; N652-L655 HydrophobicContact CB-CD1 3.86Å; N652-L655 HydrophobicContact CB-CG 3.97Å; N652-L655 PolarHBondContact O-N 2.91Å; P653-L655 PolarHBondContact O-N 2.87Å |
| 656 | C | 81.4 | Confident | 69.4 | Low | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -111.3 | 130.3 | -173.4 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | D485 N488 P653 C661 R665 | D485-C656 WeakPolarHBondContact O-CA 3.41Å; N488-C656 HydrophobicContact CB-CB 4.33Å; N488-C656 WeakPolarHBondContact ND2-CB 3.41Å; P653-C656 PolarHBondContact O-N 2.83Å; C656-C661 HydrophobicContact CB-CB 3.94Å; C656-C661 WeakPolarHBondContact O-CB 3.49Å; C656-R665 VanDerWaalsContact O-CZ 3.24Å; C656-R665 PolarHBondContact O-NH2 3.03Å; C656-R665 VanDerWaalsContact O-NH2 3.07Å | ||
| 657 | A | 82.8 | Confident | 70.7 | Confident | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.017 | 30% | 0.296 | C | S | . | . | trans | -93 | 6.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | G270 T274 D485 W486 S662 | G270-A657 WeakPolarHBondContact CA-O 3.33Å; T274-A657 HydrophobicContact CG2-CB 3.6Å; D485-A657 HydrophobicContact CB-CB 3.97Å; D485-A657 PolarHBondContact O-N 2.87Å; W486-A657 VanDerWaalsContact CD1-C 3.43Å; W486-A657 VanDerWaalsContact NE1-C 3.3Å; W486-A657 PolarHBondContact NE1-O 2.87Å; A657-S662 PolarHBondContact O-OG 3.34Å | ||
| 658 | C | 86.3 | Confident | 72.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -65.8 | 157.4 | -179.9 | 79.2 | 0 | 0 | 0 | 0 | 112.5 | C319 W486 N660 C661 S662 | C319-C658 HydrophobicContact CB-CB 4.26Å; C319-C658 WeakPolarHBondContact CB-SG 3.32Å; W486-C658 HydrophobicContact CD2-CB 3.73Å; W486-C658 HydrophobicContact CE3-CB 4.27Å; W486-C658 HydrophobicContact CG-CB 3.87Å; W486-C658 HydrophobicContact CZ2-CB 4.29Å; W486-C658 VanDerWaalsContact NE1-CA 3.32Å; C658-N660 VanDerWaalsContact C-N 3.3Å; C658-N660 PolarHBondContact O-N 2.82Å; C658-N660 VanDerWaalsContact O-N 3.12Å; C658-C661 PolarHBondContact O-N 3.27Å; C658-S662 WeakPolarHBondContact O-CB 3.23Å; C658-S662 PolarHBondContact O-N 2.95Å; C658-S662 PolarHBondContact O-OG 3.41Å |
| 659 | L | 85.2 | Confident | 73.7 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -41.1 | -53.9 | -178.5 | -177.7 | 65 | 0 | 0 | 0 | 112.9 | F213 V264 P269 P316 C661 S662 C663 | F213-L659 HydrophobicContact CE1-CD1 4.44Å; F213-L659 HydrophobicContact CZ-CD1 4.19Å; V264-L659 HydrophobicContact CG1-CD1 4.18Å; V264-L659 HydrophobicContact CG1-CD2 4.37Å; P269-L659 HydrophobicContact CB-CD1 4.04Å; P269-L659 HydrophobicContact CG-CD1 3.78Å; P316-L659 HydrophobicContact CB-CD2 3.57Å; P316-L659 HydrophobicContact CG-CD2 3.81Å; L659-C661 PolarHBondContact O-N 2.92Å; L659-S662 PolarHBondContact O-N 3.04Å; L659-C663 WeakPolarHBondContact O-CB 3.37Å; L659-C663 PolarHBondContact O-N 2.86Å; L659-C663 PolarHBondContact O-SG 2.71Å |
| 660 | N | 84.8 | Confident | 75.4 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 15% | 0.15 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -41.4 | -179.2 | -69.3 | -5.1 | 0 | 0 | 0 | 113.6 | C658 N664 | C658-N660 VanDerWaalsContact C-N 3.3Å; C658-N660 PolarHBondContact O-N 2.82Å; C658-N660 VanDerWaalsContact O-N 3.12Å; N660-N664 WeakPolarHBondContact O-CB 3.5Å; N660-N664 PolarHBondContact O-N 3.35Å; N660-N664 VanDerWaalsContact O-N 3.1Å; N660-N664 PolarHBondContact O-ND2 2.71Å |
| 661 | C | 83.2 | Confident | 76.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.4 | -29.5 | 179.2 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | C656 C658 L659 R665 | C656-C661 HydrophobicContact CB-CB 3.94Å; C656-C661 WeakPolarHBondContact O-CB 3.49Å; C658-C661 PolarHBondContact O-N 3.27Å; L659-C661 PolarHBondContact O-N 2.92Å; C661-R665 VanDerWaalsContact O-CG 3.3Å; C661-R665 WeakPolarHBondContact O-CG 3.28Å; C661-R665 PolarHBondContact O-N 3.14Å; C661-R665 PolarHBondContact O-NE 2.75Å |
| 662 | S | 81.9 | Confident | 78.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.2 | -49 | 174.9 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | A657 C658 L659 N664 R665 M666 | A657-S662 PolarHBondContact O-OG 3.34Å; C658-S662 WeakPolarHBondContact O-CB 3.23Å; C658-S662 PolarHBondContact O-N 2.95Å; C658-S662 PolarHBondContact O-OG 3.41Å; L659-S662 PolarHBondContact O-N 3.04Å; S662-N664 VanDerWaalsContact C-N 3.27Å; S662-N664 PolarHBondContact O-N 3.13Å; S662-R665 WeakPolarHBondContact O-CA 3.31Å; S662-R665 WeakPolarHBondContact O-CB 3.47Å; S662-R665 PolarHBondContact O-N 3.12Å; S662-R665 PolarHBondContact OG-NH2 3.43Å; S662-M666 WeakPolarHBondContact O-CG 3.33Å; S662-M666 PolarHBondContact O-N 2.78Å; S662-M666 VanDerWaalsContact O-N 3.1Å |
| 663 | C | 83.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.9 | -36.2 | 172.8 | -66.7 | 0 | 0 | 0 | 0 | 112.9 | L659 R665 M666 R673 K677 | L659-C663 WeakPolarHBondContact O-CB 3.37Å; L659-C663 PolarHBondContact O-N 2.86Å; L659-C663 PolarHBondContact O-SG 2.71Å; C663-R665 PolarHBondContact O-N 3.47Å; C663-M666 PolarHBondContact O-N 2.86Å; C663-R673 HydrophobicContact CB-CG 4.3Å; C663-K677 HydrophobicContact CB-CG 3.94Å |
| 664 | N | 81.3 | Confident | 80.2 | Confident | 72 Ų | 72 | 46.9 Ų | 46.9 | 39% | 0.385 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13.3 | 173.9 | -74.3 | -14.9 | 0 | 0 | 0 | 114.3 | N660 S662 K677 | N660-N664 WeakPolarHBondContact O-CB 3.5Å; N660-N664 PolarHBondContact O-N 3.35Å; N660-N664 VanDerWaalsContact O-N 3.1Å; N660-N664 PolarHBondContact O-ND2 2.71Å; S662-N664 VanDerWaalsContact C-N 3.27Å; S662-N664 PolarHBondContact O-N 3.13Å; N664-K677 WeakPolarHBondContact OD1-CE 3.44Å |
| 665 | R | 74.9 | Confident | 81 | Confident | 81 Ų | 81 | 41.4 Ų | 41.4 | 31% | 0.306 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -17.1 | 174.6 | -72.5 | 178.1 | -66.1 | 166 | 18.6 | 112.6 | L273 K654 C656 C661 S662 C663 | L273-R665 HydrophobicContact CD1-CB 4.17Å; K654-R665 PolarHBondContact O-NH1 2.79Å; C656-R665 VanDerWaalsContact O-CZ 3.24Å; C656-R665 PolarHBondContact O-NH2 3.03Å; C656-R665 VanDerWaalsContact O-NH2 3.07Å; C661-R665 VanDerWaalsContact O-CG 3.3Å; C661-R665 WeakPolarHBondContact O-CG 3.28Å; C661-R665 PolarHBondContact O-N 3.14Å; C661-R665 PolarHBondContact O-NE 2.75Å; S662-R665 WeakPolarHBondContact O-CA 3.31Å; S662-R665 WeakPolarHBondContact O-CB 3.47Å; S662-R665 PolarHBondContact O-N 3.12Å; S662-R665 PolarHBondContact OG-NH2 3.43Å; C663-R665 PolarHBondContact O-N 3.47Å |
| 666 | M | 74 | Confident | 81.7 | Confident | 49 Ų | 49 | 40.7 Ų | 40.7 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -74.9 | 140.5 | 175.6 | -64.3 | -175.1 | 76.6 | 0 | 0 | 111.5 | S662 C663 I668 R676 | S662-M666 WeakPolarHBondContact O-CG 3.33Å; S662-M666 PolarHBondContact O-N 2.78Å; S662-M666 VanDerWaalsContact O-N 3.1Å; C663-M666 PolarHBondContact O-N 2.86Å; M666-I668 HydrophobicContact CB-CD1 4.03Å; M666-I668 HydrophobicContact CB-CG1 4.05Å; M666-I668 HydrophobicContact CB-CG2 4.16Å; M666-I668 HydrophobicContact CE-CG2 4.44Å; M666-I668 PolarHBondContact O-N 3.05Å; M666-R676 VanDerWaalsContact CE-NH1 3.33Å |
| 667 | W | 70.1 | Confident | 82 | Confident | 208 Ų | 208 | 41.9 Ų | 41.9 | 79% | 0.788 | 19% | 0.189 | S | C | * | . | trans | -87.6 | 89.5 | 173.5 | -65.5 | 23.5 | 0 | 0 | 0 | 107.1 | D186 | D186-W667 VanDerWaalsContact CB-O 3.24Å; D186-W667 WeakPolarHBondContact CB-O 3.45Å | ||
| 668 | I | 76.3 | Confident | 82.2 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 6% | 0.062 | 21% | 0.209 | C | C | . | . | trans | -143.3 | 151.3 | -177.8 | 57.4 | 178.7 | 0 | 0 | 0 | 108.8 | F184 M666 E672 R673 | F184-I668 HydrophobicContact CE2-CB 4.2Å; F184-I668 HydrophobicContact CE2-CG2 3.77Å; F184-I668 HydrophobicContact CZ-CB 4.43Å; F184-I668 HydrophobicContact CZ-CG2 3.82Å; M666-I668 HydrophobicContact CB-CD1 4.03Å; M666-I668 HydrophobicContact CB-CG1 4.05Å; M666-I668 HydrophobicContact CB-CG2 4.16Å; M666-I668 HydrophobicContact CE-CG2 4.44Å; M666-I668 PolarHBondContact O-N 3.05Å; I668-E672 HydrophobicContact CB-CG 4.45Å; I668-E672 HydrophobicContact CD1-CG 4.43Å; I668-R673 HydrophobicContact CD1-CB 3.9Å; I668-R673 HydrophobicContact CD1-CG 4.1Å; I668-R673 HydrophobicContact CG1-CB 3.95Å; I668-R673 HydrophobicContact CG1-CG 4.23Å; I668-R673 PolarHBondContact O-NH2 2.79Å | ||
| 669 | D | 77.4 | Confident | 82.4 | Confident | 91 Ų | 91 | 45.6 Ų | 45.6 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | trans | -53.3 | 150 | 173.3 | 175.3 | 66.2 | 0 | 0 | 0 | 112.3 | D671 E672 R673 | D669-D671 PolarHBondContact O-N 3.46Å; D669-D671 WeakPolarHBondContact OD2-CB 3.46Å; D669-D671 PolarHBondContact OD2-N 3.24Å; D669-E672 PolarHBondContact O-N 2.76Å; D669-R673 WeakPolarHBondContact O-CB 3.37Å; D669-R673 PolarHBondContact O-N 3.17Å | ||
| 670 | E | 81.1 | Confident | 82.8 | Confident | 94 Ų | 94 | 46.2 Ų | 46.2 | 44% | 0.439 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.2 | -33.2 | -172.7 | -164.5 | 64.1 | -138.1 | 0 | 0 | 112.7 | R673 E674 K677 | E670-R673 WeakPolarHBondContact O-CB 3.42Å; E670-R673 PolarHBondContact O-N 2.78Å; E670-R673 IonicContact OE2-CZ 2.81Å; E670-R673 VanDerWaalsContact OE2-CZ 3.24Å; E670-R673 IonicContact OE2-NE 2.8Å; E670-R673 IonicContact OE2-NH1 3.78Å; E670-R673 PolarHBondContact OE2-NH1 2.8Å; E670-E674 WeakPolarHBondContact O-CB 3.39Å; E670-E674 PolarHBondContact O-N 3.19Å; E670-K677 IonicContact OE1-NZ 3.39Å; E670-K677 PolarHBondContact OE1-NZ 3.24Å |
| 671 | D | 81.7 | Confident | 83.2 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 35% | 0.353 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 175.3 | -79.7 | -10.8 | 0 | 0 | 0 | 110.7 | Y257 D669 R673 E674 R675 | Y257-D671 HydrophobicContact CD2-CB 4.47Å; D669-D671 PolarHBondContact O-N 3.46Å; D669-D671 WeakPolarHBondContact OD2-CB 3.46Å; D669-D671 PolarHBondContact OD2-N 3.24Å; D671-R673 VanDerWaalsContact C-N 3.34Å; D671-E674 PolarHBondContact O-N 3.14Å; D671-R675 VanDerWaalsContact O-CG 3.32Å; D671-R675 WeakPolarHBondContact O-CG 3.3Å; D671-R675 PolarHBondContact O-N 3.36Å; D671-R675 PolarHBondContact O-NH1 3.08Å |
| 672 | E | 83.9 | Confident | 83.7 | Confident | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -40.1 | 174.4 | 176.3 | 65.3 | 176.6 | 0 | 0 | 111.3 | F184 R215 Y262 I668 D669 E674 R675 R676 | F184-E672 HydrophobicContact CE1-CG 4.08Å; F184-E672 HydrophobicContact CZ-CG 4.05Å; R215-E672 IonicContact CZ-OE1 3.96Å; R215-E672 IonicContact NE-OE1 2.83Å; R215-E672 IonicContact NH2-OE1 2.67Å; R215-E672 PolarHBondContact NH2-OE1 3.04Å; Y262-E672 WeakPolarHBondContact CE1-OE2 3.44Å; Y262-E672 VanDerWaalsContact CZ-OE2 3.25Å; Y262-E672 PolarHBondContact OH-OE1 2.89Å; Y262-E672 PolarHBondContact OH-OE2 2.99Å; I668-E672 HydrophobicContact CB-CG 4.45Å; I668-E672 HydrophobicContact CD1-CG 4.43Å; D669-E672 PolarHBondContact O-N 2.76Å; E672-E674 VanDerWaalsContact C-N 3.34Å; E672-E674 PolarHBondContact O-N 2.94Å; E672-R675 PolarHBondContact O-N 3.09Å; E672-R676 WeakPolarHBondContact O-CB 3.33Å; E672-R676 WeakPolarHBondContact O-CG 3.24Å; E672-R676 PolarHBondContact O-N 3.23Å; E672-R676 IonicContact OE1-CZ 2.77Å; E672-R676 VanDerWaalsContact OE1-CZ 3.25Å; E672-R676 IonicContact OE1-NE 3.51Å; E672-R676 PolarHBondContact OE1-NE 3.11Å; E672-R676 IonicContact OE1-NH2 3.54Å; E672-R676 PolarHBondContact OE1-NH2 3.04Å |
| 673 | R | 86.1 | Confident | 84.2 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 175.5 | -164.7 | -179.2 | -62.1 | 167.1 | 0.8 | 111.7 | C663 I668 D669 E670 D671 R676 K677 | C663-R673 HydrophobicContact CB-CG 4.3Å; I668-R673 HydrophobicContact CD1-CB 3.9Å; I668-R673 HydrophobicContact CD1-CG 4.1Å; I668-R673 HydrophobicContact CG1-CB 3.95Å; I668-R673 HydrophobicContact CG1-CG 4.23Å; I668-R673 PolarHBondContact O-NH2 2.79Å; D669-R673 WeakPolarHBondContact O-CB 3.37Å; D669-R673 PolarHBondContact O-N 3.17Å; E670-R673 WeakPolarHBondContact O-CB 3.42Å; E670-R673 PolarHBondContact O-N 2.78Å; E670-R673 IonicContact OE2-CZ 2.81Å; E670-R673 VanDerWaalsContact OE2-CZ 3.24Å; E670-R673 IonicContact OE2-NE 2.8Å; E670-R673 IonicContact OE2-NH1 3.78Å; E670-R673 PolarHBondContact OE2-NH1 2.8Å; D671-R673 VanDerWaalsContact C-N 3.34Å; R673-R676 PolarHBondContact O-N 2.86Å; R673-K677 HydrophobicContact CG-CD 4.45Å; R673-K677 WeakPolarHBondContact O-CD 3.46Å; R673-K677 VanDerWaalsContact O-CG 3.32Å; R673-K677 WeakPolarHBondContact O-CG 3.41Å; R673-K677 PolarHBondContact O-N 2.62Å |
| 674 | E | 85.8 | Confident | 84.8 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 30% | 0.299 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -73.1 | -36.3 | -178.8 | -162.1 | 57.9 | -149.6 | 0 | 0 | 112.3 | Y257 E670 D671 E672 R676 K677 N678 | Y257-E674 HydrophobicContact CE2-CB 4.31Å; Y257-E674 HydrophobicContact CE2-CG 4.44Å; Y257-E674 WeakPolarHBondContact OH-CG 3.13Å; E670-E674 WeakPolarHBondContact O-CB 3.39Å; E670-E674 PolarHBondContact O-N 3.19Å; D671-E674 PolarHBondContact O-N 3.14Å; E672-E674 VanDerWaalsContact C-N 3.34Å; E672-E674 PolarHBondContact O-N 2.94Å; E674-R676 PolarHBondContact O-N 2.93Å; E674-K677 PolarHBondContact O-N 3.34Å; E674-K677 WeakPolarHBondContact OE2-CD 3.38Å; E674-K677 IonicContact OE2-NZ 3.48Å; E674-K677 PolarHBondContact OE2-NZ 3.47Å; E674-N678 WeakPolarHBondContact O-CB 3.44Å; E674-N678 PolarHBondContact O-N 2.84Å; E674-N678 VanDerWaalsContact O-N 3.07Å; E674-N678 PolarHBondContact O-ND2 2.88Å; E674-N678 PolarHBondContact OE1-ND2 3.18Å |
| 675 | R | 86.9 | Confident | 85.5 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 7% | 0.068 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 168.9 | -70 | -178.8 | -158.7 | 102 | -4.4 | 112.2 | F255 Y257 Y262 D671 E672 N678 A679 | F255-R675 PolarHBondContact O-NH2 2.88Å; Y257-R675 HydrophobicContact CE2-CG 4.49Å; Y262-R675 HydrophobicContact CD1-CB 4.29Å; Y262-R675 HydrophobicContact CD2-CB 4.23Å; Y262-R675 HydrophobicContact CE1-CB 4.2Å; Y262-R675 HydrophobicContact CE2-CB 4.19Å; Y262-R675 HydrophobicContact CG-CB 4.31Å; D671-R675 VanDerWaalsContact O-CG 3.32Å; D671-R675 WeakPolarHBondContact O-CG 3.3Å; D671-R675 PolarHBondContact O-N 3.36Å; D671-R675 PolarHBondContact O-NH1 3.08Å; E672-R675 PolarHBondContact O-N 3.09Å; R675-N678 CarbonylContact O-C 3.52Å; R675-N678 PolarHBondContact O-N 3.06Å; R675-A679 PolarHBondContact O-N 3.08Å |
| 676 | R | 87.9 | Confident | 86.5 | Confident | 1 Ų | 1 | 42 Ų | 42 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.5 | -38.3 | 177.9 | -70.9 | -178.9 | -169.3 | -140.6 | -0.9 | 113.5 | E211 F213 Y262 M666 E672 R673 E674 N678 A679 | E211-R676 IonicContact OE1-CZ 2.79Å; E211-R676 IonicContact OE1-NH1 3.53Å; E211-R676 PolarHBondContact OE1-NH1 2.94Å; E211-R676 IonicContact OE1-NH2 2.76Å; E211-R676 PolarHBondContact OE1-NH2 3.18Å; E211-R676 IonicContact OE2-CZ 2.67Å; E211-R676 IonicContact OE2-NH1 3.55Å; E211-R676 IonicContact OE2-NH2 3.62Å; E211-R676 PolarHBondContact OE2-NH2 2.78Å; E211-R676 VanDerWaalsContact OE2-NH2 3.1Å; F213-R676 HydrophobicContact CD1-CG 4.24Å; F213-R676 HydrophobicContact CE1-CB 3.81Å; F213-R676 HydrophobicContact CE1-CG 3.76Å; F213-R676 HydrophobicContact CE2-CG 4.22Å; F213-R676 HydrophobicContact CZ-CB 3.84Å; F213-R676 HydrophobicContact CZ-CG 3.75Å; Y262-R676 HydrophobicContact CD1-CG 3.96Å; Y262-R676 HydrophobicContact CE1-CG 3.92Å; M666-R676 VanDerWaalsContact CE-NH1 3.33Å; E672-R676 WeakPolarHBondContact O-CB 3.33Å; E672-R676 WeakPolarHBondContact O-CG 3.24Å; E672-R676 PolarHBondContact O-N 3.23Å; E672-R676 IonicContact OE1-CZ 2.77Å; E672-R676 VanDerWaalsContact OE1-CZ 3.25Å; E672-R676 IonicContact OE1-NE 3.51Å; E672-R676 PolarHBondContact OE1-NE 3.11Å; E672-R676 IonicContact OE1-NH2 3.54Å; E672-R676 PolarHBondContact OE1-NH2 3.04Å; R673-R676 PolarHBondContact O-N 2.86Å; E674-R676 PolarHBondContact O-N 2.93Å; R676-N678 VanDerWaalsContact C-N 3.32Å; R676-A679 VanDerWaalsContact O-CB 3.28Å; R676-A679 WeakPolarHBondContact O-CB 3.49Å; R676-A679 PolarHBondContact O-N 2.9Å |
| 677 | K | 87.8 | Confident | 87.5 | Confident | 24 Ų | 24 | 40.3 Ų | 40.3 | 10% | 0.104 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -38.5 | 173.1 | -72.3 | 157.9 | 177.4 | 160.7 | 0 | 111.9 | C663 N664 E670 R673 E674 A679 | C663-K677 HydrophobicContact CB-CG 3.94Å; N664-K677 WeakPolarHBondContact OD1-CE 3.44Å; E670-K677 IonicContact OE1-NZ 3.39Å; E670-K677 PolarHBondContact OE1-NZ 3.24Å; R673-K677 HydrophobicContact CG-CD 4.45Å; R673-K677 WeakPolarHBondContact O-CD 3.46Å; R673-K677 VanDerWaalsContact O-CG 3.32Å; R673-K677 WeakPolarHBondContact O-CG 3.41Å; R673-K677 PolarHBondContact O-N 2.62Å; E674-K677 PolarHBondContact O-N 3.34Å; E674-K677 WeakPolarHBondContact OE2-CD 3.38Å; E674-K677 IonicContact OE2-NZ 3.48Å; E674-K677 PolarHBondContact OE2-NZ 3.47Å; K677-A679 VanDerWaalsContact C-N 3.3Å; K677-A679 PolarHBondContact O-N 3.33Å |
| 678 | N | 87.5 | Confident | 88.6 | Confident | 81 Ų | 81 | 30.4 Ų | 30.4 | 43% | 0.433 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 16.4 | 179.8 | -64.6 | -58.3 | 0 | 0 | 0 | 113.6 | E674 R675 R676 | E674-N678 WeakPolarHBondContact O-CB 3.44Å; E674-N678 PolarHBondContact O-N 2.84Å; E674-N678 VanDerWaalsContact O-N 3.07Å; E674-N678 PolarHBondContact O-ND2 2.88Å; E674-N678 PolarHBondContact OE1-ND2 3.18Å; R675-N678 CarbonylContact O-C 3.52Å; R675-N678 PolarHBondContact O-N 3.06Å; R676-N678 VanDerWaalsContact C-N 3.32Å |
| 679 | A | 90.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 145.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F213 Y262 V264 P316 R675 R676 K677 | F213-A679 HydrophobicContact CD1-CB 4.3Å; F213-A679 HydrophobicContact CE1-CB 4.05Å; Y262-A679 CarbonylContact O-C 3.54Å; Y262-A679 WeakPolarHBondContact O-CA 3.12Å; V264-A679 HydrophobicContact CB-CB 4.44Å; V264-A679 HydrophobicContact CG1-CB 3.65Å; P316-A679 VanDerWaalsContact CD-O 3.25Å; P316-A679 WeakPolarHBondContact CD-O 3.33Å; P316-A679 VanDerWaalsContact CG-O 3.29Å; P316-A679 WeakPolarHBondContact CG-O 3.34Å; R675-A679 PolarHBondContact O-N 3.08Å; R676-A679 VanDerWaalsContact O-CB 3.28Å; R676-A679 WeakPolarHBondContact O-CB 3.49Å; R676-A679 PolarHBondContact O-N 2.9Å; K677-A679 VanDerWaalsContact C-N 3.3Å; K677-A679 PolarHBondContact O-N 3.33Å |
| 680 | I | 92.2 | Very high | 90.1 | Very high | 14 Ų | 14 | 25.5 Ų | 25.5 | 7% | 0.072 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -90.5 | 137.3 | -175.1 | -72.1 | 171.1 | 0 | 0 | 0 | 111.2 | K261 Y262 F263 V264 N314 | K261-I680 HydrophobicContact CD-CD1 4.15Å; K261-I680 HydrophobicContact CG-CD1 4.38Å; Y262-I680 PolarHBondContact O-N 2.99Å; F263-I680 WeakPolarHBondContact CA-O 3.31Å; F263-I680 HydrophobicContact CD1-CB 3.82Å; F263-I680 HydrophobicContact CD1-CG2 3.93Å; F263-I680 HydrophobicContact CE1-CB 4.14Å; F263-I680 HydrophobicContact CE1-CD1 4.4Å; F263-I680 HydrophobicContact CE1-CG2 4.1Å; V264-I680 PolarHBondContact N-O 3.25Å; N314-I680 HydrophobicContact CB-CG2 4.16Å |
| 681 | D | 93.2 | Very high | 90.6 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 3% | 0.027 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -82.1 | 160 | -179.8 | -153 | 36.9 | 0 | 0 | 0 | 111.9 | S266 N314 Y430 | S266-D681 WeakPolarHBondContact CB-OD1 3.36Å; S266-D681 PolarHBondContact N-OD1 3.35Å; S266-D681 PolarHBondContact OG-OD1 3.26Å; N314-D681 HydrophobicContact CB-CB 4.36Å; N314-D681 WeakPolarHBondContact CB-O 3.47Å; N314-D681 PolarHBondContact O-N 2.81Å; Y430-D681 VanDerWaalsContact CE1-OD2 3.24Å; Y430-D681 WeakPolarHBondContact CE1-OD2 3.41Å; Y430-D681 VanDerWaalsContact CZ-OD2 3.29Å; Y430-D681 PolarHBondContact OH-OD2 2.79Å |
| 682 | F | 94.5 | Very high | 90.8 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 4% | 0.035 | 11% | 0.106 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 161.7 | -177.9 | 64.5 | -90.6 | 0 | 0 | 0 | 113 | P265 Y306 L307 F308 N314 Y430 N431 L434 A684 | P265-F682 HydrophobicContact CB-CD1 3.69Å; P265-F682 HydrophobicContact CB-CE1 3.88Å; P265-F682 HydrophobicContact CG-CD1 4.32Å; Y306-F682 HydrophobicContact CD1-CB 4.04Å; Y306-F682 AromaticContact CD1-CD1 3.57Å; Y306-F682 HydrophobicContact CD1-CD1 3.57Å; Y306-F682 HydrophobicContact CD1-CD2 4.05Å; Y306-F682 AromaticContact CD1-CE1 3.94Å; Y306-F682 HydrophobicContact CD1-CE1 3.94Å; Y306-F682 HydrophobicContact CD1-CE2 4.39Å; Y306-F682 AromaticContact CD1-CG 3.62Å; Y306-F682 HydrophobicContact CD1-CG 3.62Å; Y306-F682 HydrophobicContact CD1-CZ 4.33Å; Y306-F682 AromaticContact CE1-CD1 3.89Å; Y306-F682 HydrophobicContact CE1-CD1 3.89Å; Y306-F682 AromaticContact CE1-CE1 3.8Å; Y306-F682 HydrophobicContact CE1-CE1 3.8Å; Y306-F682 HydrophobicContact CE1-CG 4.33Å; Y306-F682 HydrophobicContact CE1-CZ 4.18Å; Y306-F682 HydrophobicContact CG-CB 4.46Å; Y306-F682 HydrophobicContact CG-CG 4.49Å; L307-F682 CarbonylContact O-C 3.59Å; L307-F682 WeakPolarHBondContact O-CA 3.31Å; L307-F682 WeakPolarHBondContact O-CB 3.13Å; F308-F682 HydrophobicContact CD1-CB 4.08Å; F308-F682 HydrophobicContact CE1-CB 3.8Å; F308-F682 HydrophobicContact CZ-CB 4.22Å; N314-F682 PolarHBondContact ND2-O 3.44Å; N314-F682 VanDerWaalsContact ND2-O 3.08Å; Y430-F682 AromaticContact CD1-CE1 3.63Å; Y430-F682 HydrophobicContact CD1-CE1 3.63Å; Y430-F682 AromaticContact CD1-CZ 3.79Å; Y430-F682 HydrophobicContact CD1-CZ 3.79Å; Y430-F682 AromaticContact CE1-CE1 3.63Å; Y430-F682 HydrophobicContact CE1-CE1 3.63Å; Y430-F682 HydrophobicContact CE1-CZ 4.04Å; N431-F682 WeakPolarHBondContact OD1-CE2 3.31Å; N431-F682 WeakPolarHBondContact OD1-CZ 3.4Å; L434-F682 HydrophobicContact CD1-CE2 4.19Å; L434-F682 HydrophobicContact CD1-CZ 4Å; F682-A684 WeakPolarHBondContact CD2-O 3.3Å |
| 683 | S | 92.8 | Very high | 90.6 | Very high | 56 Ų | 56 | 22.6 Ų | 22.6 | 39% | 0.392 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -98.7 | -33.1 | 170.5 | 54.7 | 0 | 0 | 0 | 0 | 112.5 | L307 | L307-S683 PolarHBondContact O-N 2.94Å; L307-S683 PolarHBondContact O-OG 2.82Å; L307-S683 VanDerWaalsContact O-OG 3.09Å |
| 684 | A | 94.5 | Very high | 90.4 | Very high | 16 Ų | 16 | 21.5 Ų | 21.5 | 13% | 0.132 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 156.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y306 L307 F682 Y686 T726 | Y306-A684 WeakPolarHBondContact CA-O 3.47Å; L307-A684 HydrophobicContact CB-CB 4.11Å; L307-A684 HydrophobicContact CD2-CB 4.39Å; L307-A684 PolarHBondContact N-O 2.88Å; F682-A684 WeakPolarHBondContact CD2-O 3.3Å; A684-Y686 HydrophobicContact CB-CE2 4.46Å; A684-T726 HydrophobicContact CB-CG2 3.86Å |
| 685 | S | 95.5 | Very high | 90.3 | Very high | 7 Ų | 7 | 20.7 Ų | 20.7 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.8 | 170.4 | 53.7 | 0 | 0 | 0 | 0 | 110.5 | I305 N431 T726 | I305-S685 CarbonylContact O-C 3.53Å; I305-S685 WeakPolarHBondContact O-CA 3.41Å; N431-S685 PolarHBondContact ND2-OG 3.42Å; N431-S685 VanDerWaalsContact ND2-OG 3.08Å; N431-S685 PolarHBondContact OD1-OG 3.01Å; S685-T726 WeakPolarHBondContact O-CB 3.32Å |
| 686 | Y | 97.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.9 | 178.6 | -52.9 | -77.5 | 0 | 0 | 0 | 108.7 | L297 I305 L307 A684 I709 W721 R723 T726 | L297-Y686 HydrophobicContact CD1-CD2 4.23Å; L297-Y686 HydrophobicContact CD1-CE2 3.94Å; I305-Y686 HydrophobicContact CB-CD2 4.4Å; I305-Y686 HydrophobicContact CG2-CD2 4.05Å; I305-Y686 PolarHBondContact N-O 3.47Å; I305-Y686 PolarHBondContact O-N 2.82Å; L307-Y686 HydrophobicContact CB-CE2 4.1Å; A684-Y686 HydrophobicContact CB-CE2 4.46Å; Y686-I709 HydrophobicContact CD1-CG1 4.44Å; Y686-I709 HydrophobicContact CD2-CG1 4.22Å; Y686-I709 HydrophobicContact CD2-CG2 4.3Å; Y686-I709 HydrophobicContact CE1-CG1 4.01Å; Y686-I709 HydrophobicContact CE2-CG1 3.74Å; Y686-W721 HydrophobicContact CD1-CB 3.66Å; Y686-W721 AromaticContact CD1-CG 3.92Å; Y686-W721 HydrophobicContact CD1-CG 3.92Å; Y686-W721 HydrophobicContact CE1-CB 4.35Å; Y686-W721 HydrophobicContact CG-CB 4.43Å; Y686-W721 HydrophobicContact CG-CD2 4.47Å; Y686-W721 HydrophobicContact CG-CG 4.32Å; Y686-R723 VanDerWaalsContact OH-CG 3.32Å; Y686-R723 WeakPolarHBondContact OH-CG 3.35Å; Y686-R723 PolarHBondContact OH-O 3.4Å; Y686-T726 HydrophobicContact CD1-CG2 4.25Å; Y686-T726 HydrophobicContact CE1-CG2 3.86Å |
| 687 | V | 95 | Very high | 90.8 | Very high | 14 Ų | 14 | 20.7 Ų | 20.7 | 9% | 0.085 | 12% | 0.12 | C | C | . | . | trans | -120.8 | 138.7 | -161.9 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | N304 W425 W721 | N304-V687 HydrophobicContact CB-CG2 4.42Å; N304-V687 WeakPolarHBondContact OD1-CA 3.16Å; N304-V687 VanDerWaalsContact OD1-CG1 3.28Å; N304-V687 WeakPolarHBondContact OD1-CG1 3.42Å; W425-V687 HydrophobicContact CE3-CG1 3.62Å; W425-V687 HydrophobicContact CZ3-CG1 4.27Å; V687-W721 PolarHBondContact O-NE1 3.4Å; V687-W721 VanDerWaalsContact O-NE1 3.08Å | ||
| 688 | G | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 128 | -12.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116 | F719 N787 | G688-F719 WeakPolarHBondContact O-CE1 3.46Å; G688-F719 WeakPolarHBondContact O-CZ 3.2Å; G688-N787 VanDerWaalsContact O-CB 3.24Å; G688-N787 WeakPolarHBondContact O-CB 3.28Å; G688-N787 PolarHBondContact O-ND2 2.91Å |
| 689 | H | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -80.3 | 173.5 | 166.9 | 77.2 | -47.6 | 0 | 0 | 0 | 110.6 | N299 F719 W721 | N299-H689 PolarHBondContact OD1-NE2 3.06Å; H689-F719 HydrophobicContact CB-CD2 4.02Å; H689-F719 HydrophobicContact CB-CE2 4.35Å; H689-F719 HydrophobicContact CB-CG 4.3Å; H689-W721 HydrophobicContact CB-CH2 3.99Å; H689-W721 HydrophobicContact CB-CZ2 4.19Å | ||
| 690 | C | 92.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -129 | 132.2 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 109.4 | S713 D714 N787 S791 | C690-S713 PolarHBondContact N-OG 3.28Å; C690-S713 WeakPolarHBondContact O-CA 3.37Å; C690-D714 HydrophobicContact CB-CB 4.18Å; C690-D714 PolarHBondContact O-N 3.14Å; C690-N787 HydrophobicContact CB-CB 3.93Å; C690-S791 PolarHBondContact SG-OG 3.49Å | ||
| 691 | N | 90.6 | Very high | 92 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.016 | 10% | 0.1 | C | C | . | . | trans | -136.8 | 67.1 | -178.2 | -173.1 | 20.4 | 0 | 0 | 0 | 110.4 | T285 N299 G301 R302 T694 K697 D714 | T285-N691 WeakPolarHBondContact CG2-ND2 3.35Å; T285-N691 PolarHBondContact OG1-ND2 3.03Å; N299-N691 VanDerWaalsContact CG-ND2 3.33Å; N299-N691 PolarHBondContact ND2-ND2 3.06Å; N299-N691 PolarHBondContact OD1-ND2 3.42Å; N299-N691 VanDerWaalsContact OD1-ND2 3.13Å; G301-N691 CarbonylContact C-O 3.05Å; G301-N691 WeakPolarHBondContact CA-O 3.3Å; R302-N691 PolarHBondContact N-O 2.8Å; N691-T694 PolarHBondContact OD1-O 2.84Å; N691-T694 VanDerWaalsContact OD1-O 3.09Å; N691-K697 HydrophobicContact CB-CD 4.1Å; N691-K697 VanDerWaalsContact OD1-CD 3.25Å; N691-K697 WeakPolarHBondContact OD1-CD 3.46Å; N691-K697 WeakPolarHBondContact OD1-CG 3.48Å; N691-K697 PolarHBondContact OD1-NZ 3.46Å; N691-D714 WeakPolarHBondContact CA-OD2 3.46Å | ||
| 692 | S | 85.4 | Confident | 92 | Very high | 35 Ų | 35 | 16.9 Ų | 16.9 | 25% | 0.245 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -125.7 | -19.8 | -170.4 | -59.3 | 0 | 0 | 0 | 0 | 114.3 | D714 | S692-D714 PolarHBondContact N-OD2 3.49Š|
| 693 | I | 80.7 | Confident | 91.7 | Very high | 72 Ų | 72 | 17.2 Ų | 17.2 | 37% | 0.369 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -90.9 | -57.1 | -179 | -51 | 171 | 0 | 0 | 0 | 110.9 | D714 V798 N802 | I693-D714 WeakPolarHBondContact CB-OD1 2.96Å; I693-D714 HydrophobicContact CD1-CB 3.68Å; I693-D714 HydrophobicContact CG1-CB 4.02Å; I693-D714 PolarHBondContact N-OD2 2.99Å; I693-V798 HydrophobicContact CG1-CG1 4.12Å; I693-N802 WeakPolarHBondContact CD1-ND2 3.27Å |
| 694 | T | 81.6 | Confident | 90.9 | Very high | 34 Ų | 34 | 16.6 Ų | 16.6 | 21% | 0.209 | 10% | 0.101 | C | C | . | . | trans | -103.8 | 140.8 | -178.4 | 65.9 | 0 | 0 | 0 | 0 | 112 | N691 K697 T738 N740 | N691-T694 PolarHBondContact OD1-O 2.84Å; N691-T694 VanDerWaalsContact OD1-O 3.09Å; T694-K697 PolarHBondContact O-NZ 2.87Å; T694-K697 PolarHBondContact OG1-NZ 2.76Å; T694-T738 HydrophobicContact CG2-CG2 4.08Å; T694-N740 PolarHBondContact OG1-OD1 3.17Å | ||
| 695 | D | 84.4 | Confident | 90.2 | Very high | 47 Ų | 47 | 21.9 Ų | 21.9 | 25% | 0.251 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 18.6 | -177 | 72.3 | -26.3 | 0 | 0 | 0 | 114.1 | K138 K193 T285 | K138-D695 WeakPolarHBondContact CE-OD2 3.38Å; K138-D695 IonicContact NZ-OD1 2.75Å; K138-D695 PolarHBondContact NZ-OD1 3.19Å; K138-D695 IonicContact NZ-OD2 3.58Å; K138-D695 PolarHBondContact NZ-OD2 3.48Å; K193-D695 WeakPolarHBondContact CE-OD2 3.29Å; K193-D695 IonicContact NZ-OD2 3.53Å; K193-D695 PolarHBondContact NZ-OD2 2.85Å; T285-D695 WeakPolarHBondContact CB-O 3.49Å; T285-D695 HydrophobicContact CG2-CB 4.49Å; T285-D695 WeakPolarHBondContact CG2-O 3.44Å |
| 696 | I | 89.9 | Confident | 89.8 | Confident | 19 Ų | 19 | 21.7 Ų | 21.7 | 10% | 0.097 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 6.7 | -173 | 57.3 | 168.4 | 0 | 0 | 0 | 114.3 | N51 F94 K138 N740 | N51-I696 HydrophobicContact CB-CD1 3.87Å; F94-I696 HydrophobicContact CD1-CD1 4.32Å; F94-I696 HydrophobicContact CD1-CG2 4.34Å; K138-I696 HydrophobicContact CD-CG2 4.06Å; I696-N740 HydrophobicContact CD1-CB 4.13Å; I696-N740 HydrophobicContact CG1-CB 4.3Å |
| 697 | K | 94.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -68.4 | 136.1 | -173.2 | -65.2 | -171.1 | -160.4 | 54.6 | 0 | 114 | T285 S286 N299 N691 T694 D714 N740 | T285-K697 PolarHBondContact OG1-O 3.3Å; S286-K697 VanDerWaalsContact CB-O 3.3Å; S286-K697 WeakPolarHBondContact CB-O 3.3Å; N299-K697 PolarHBondContact ND2-O 2.86Å; N691-K697 HydrophobicContact CB-CD 4.1Å; N691-K697 VanDerWaalsContact OD1-CD 3.25Å; N691-K697 WeakPolarHBondContact OD1-CD 3.46Å; N691-K697 WeakPolarHBondContact OD1-CG 3.48Å; N691-K697 PolarHBondContact OD1-NZ 3.46Å; T694-K697 PolarHBondContact O-NZ 2.87Å; T694-K697 PolarHBondContact OG1-NZ 2.76Å; K697-D714 WeakPolarHBondContact CE-OD1 3.42Å; K697-D714 WeakPolarHBondContact CE-OD2 3.39Å; K697-D714 IonicContact NZ-OD1 3.62Å; K697-D714 PolarHBondContact NZ-OD1 3.5Å; K697-D714 IonicContact NZ-OD2 2.72Å; K697-D714 PolarHBondContact NZ-OD2 2.83Å; K697-N740 CarbonylContact C-O 3.55Å; K697-N740 VanDerWaalsContact CA-O 3.31Å; K697-N740 WeakPolarHBondContact CA-O 3.33Å | ||
| 698 | E | 95.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | trans | -95.6 | 148.3 | 179.6 | -58 | -167 | -148 | 0 | 0 | 113.4 | R139 G711 G712 N740 C741 Q743 | R139-E698 IonicContact CZ-OE1 2.68Å; R139-E698 IonicContact CZ-OE2 3.63Å; R139-E698 IonicContact NH1-OE1 2.66Å; R139-E698 PolarHBondContact NH1-OE1 3.33Å; R139-E698 IonicContact NH1-OE2 2.73Å; R139-E698 IonicContact NH2-OE1 2.97Å; R139-E698 PolarHBondContact NH2-OE1 3.21Å; R139-E698 IonicContact NH2-OE2 2.69Å; R139-E698 PolarHBondContact NH2-OE2 3.01Å; E698-G711 WeakPolarHBondContact O-CA 3.47Å; E698-G712 PolarHBondContact O-N 3.18Å; E698-N740 PolarHBondContact N-O 3Å; E698-C741 PolarHBondContact OE1-SG 2.57Å; E698-Q743 PolarHBondContact OE2-NE2 3.18Å | ||
| 699 | A | 97.3 | Very high | 89.7 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 134.5 | 164 | 0 | 0 | 0 | 0 | 0 | 108.3 | L297 N299 I305 V710 | L297-A699 HydrophobicContact CD2-CB 3.95Å; N299-A699 HydrophobicContact CB-CB 4.11Å; I305-A699 HydrophobicContact CD1-CB 3.64Å; I305-A699 HydrophobicContact CG1-CB 3.86Å; I305-A699 HydrophobicContact CG2-CB 4.02Å; A699-V710 CarbonylContact C-O 3.56Å; A699-V710 WeakPolarHBondContact CA-O 3.3Å |
| 700 | N | 97.1 | Very high | 89.9 | Confident | 12 Ų | 12 | 23.2 Ų | 23.2 | 6% | 0.064 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 156.2 | -171.4 | -73.1 | -53.2 | 0 | 0 | 0 | 111.6 | V710 V742 Q743 P744 | N700-V710 HydrophobicContact CB-CG2 4.14Å; N700-V710 PolarHBondContact N-O 2.97Å; N700-V710 PolarHBondContact O-N 3.4Å; N700-V742 PolarHBondContact ND2-O 2.78Å; N700-Q743 PolarHBondContact ND2-NE2 2.9Å; N700-Q743 VanDerWaalsContact ND2-NE2 3.17Å; N700-P744 HydrophobicContact CB-CG 4.47Å |
| 701 | F | 95 | Very high | 90.1 | Very high | 26 Ų | 26 | 23.2 Ų | 23.2 | 11% | 0.114 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 137.5 | 169.5 | -66.3 | -92.1 | 0 | 0 | 0 | 110.1 | F289 S290 E295 L297 L307 I709 P744 | F289-F701 VanDerWaalsContact C-CE2 3.41Å; F289-F701 WeakPolarHBondContact O-CD2 3.39Å; S290-F701 VanDerWaalsContact N-CE2 3.31Å; E295-F701 HydrophobicContact CB-CZ 4.28Å; L297-F701 HydrophobicContact CB-CD2 4.47Å; L297-F701 HydrophobicContact CB-CE2 3.65Å; L297-F701 HydrophobicContact CB-CZ 3.87Å; L297-F701 HydrophobicContact CD2-CE2 4.5Å; L307-F701 HydrophobicContact CD1-CE1 3.84Å; L307-F701 HydrophobicContact CD1-CZ 3.64Å; F701-I709 HydrophobicContact CD1-CD1 3.54Å; F701-I709 HydrophobicContact CE1-CD1 3.87Å; F701-I709 HydrophobicContact CG-CD1 4.14Å; F701-P744 WeakPolarHBondContact O-CG 3.47Å |
| 702 | F | 93.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 144.7 | 178.9 | 177 | -129.7 | 0 | 0 | 0 | 111 | I29 V34 L37 G706 Q707 Y708 V710 P744 L751 | I29-F702 HydrophobicContact CD1-CD2 4Å; I29-F702 HydrophobicContact CD1-CE2 3.51Å; I29-F702 HydrophobicContact CD1-CZ 4.02Å; I29-F702 HydrophobicContact CG1-CE2 4.37Å; I29-F702 HydrophobicContact CG1-CZ 4.41Å; I29-F702 HydrophobicContact CG2-CD1 4.48Å; I29-F702 HydrophobicContact CG2-CE1 4.02Å; I29-F702 HydrophobicContact CG2-CE2 4.46Å; I29-F702 HydrophobicContact CG2-CZ 4.01Å; V34-F702 HydrophobicContact CG2-CE1 4.07Å; L37-F702 HydrophobicContact CD1-CE1 4.03Å; L37-F702 HydrophobicContact CD1-CZ 4.33Å; F702-G706 CarbonylContact O-C 3.59Å; F702-G706 VanDerWaalsContact O-C 3.3Å; F702-G706 WeakPolarHBondContact O-CA 3.33Å; F702-Q707 PolarHBondContact O-N 2.91Å; F702-Y708 HydrophobicContact CD1-CD2 4.35Å; F702-Y708 HydrophobicContact CD1-CG 4.48Å; F702-Y708 PolarHBondContact N-O 3.41Å; F702-Y708 PolarHBondContact O-N 2.84Å; F702-Y708 VanDerWaalsContact O-O 3.08Å; F702-V710 HydrophobicContact CB-CG1 3.72Å; F702-V710 HydrophobicContact CB-CG2 4.25Å; F702-V710 HydrophobicContact CD1-CG1 3.91Å; F702-V710 HydrophobicContact CG-CG1 4.04Å; F702-P744 HydrophobicContact CD2-CB 3.67Å; F702-P744 HydrophobicContact CE2-CB 4.36Å; F702-L751 HydrophobicContact CD1-CD2 4.31Å; F702-L751 HydrophobicContact CD2-CD2 3.5Å; F702-L751 HydrophobicContact CE1-CD1 4.45Å; F702-L751 HydrophobicContact CE1-CD2 4.3Å; F702-L751 HydrophobicContact CE2-CD2 3.48Å; F702-L751 VanDerWaalsContact CE2-CD2 3.48Å; F702-L751 HydrophobicContact CE2-CG 4.13Å; F702-L751 HydrophobicContact CG-CD2 3.93Å; F702-L751 HydrophobicContact CZ-CD1 4.5Å; F702-L751 HydrophobicContact CZ-CD2 3.9Å; F702-L751 HydrophobicContact CZ-CG 4.12Å |
| 703 | G | 86.8 | Confident | 90.9 | Very high | 16 Ų | 16 | 21.4 Ų | 21.4 | 17% | 0.165 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 93.4 | 151.4 | -167 | 0 | 0 | 0 | 0 | 0 | 112.5 | I29 Y705 G706 Q707 | I29-G703 VanDerWaalsContact CD1-CA 3.5Å; G703-Y705 PolarHBondContact O-N 2.9Å; G703-G706 PolarHBondContact O-N 3.26Å; G703-Q707 VanDerWaalsContact C-OE1 3.27Å |
| 704 | S | 76.4 | Confident | 91.4 | Very high | 43 Ų | 43 | 18 Ų | 18 | 30% | 0.301 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.1 | -176 | -33.6 | 0 | 0 | 0 | 0 | 114.5 | R25 | R25-S704 VanDerWaalsContact O-CB 3.25Å; R25-S704 WeakPolarHBondContact O-CB 3.27Å; R25-S704 PolarHBondContact O-OG 3.18Å |
| 705 | Y | 79.9 | Confident | 91.9 | Very high | 126 Ų | 126 | 18.5 Ų | 18.5 | 49% | 0.494 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 15.9 | 175.2 | -62.4 | -66.7 | 0 | 0 | 0 | 112.5 | C26 G703 Q707 | C26-Y705 HydrophobicContact CB-CE2 4.16Å; C26-Y705 PolarHBondContact SG-OH 2.79Å; G703-Y705 PolarHBondContact O-N 2.9Å; Y705-Q707 PolarHBondContact O-N 3.38Å |
| 706 | G | 88.1 | Confident | 92.4 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 4% | 0.041 | 9% | 0.087 | C | C | . | . | trans | 60.7 | 24.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F702 G703 Y708 R723 | F702-G706 CarbonylContact O-C 3.59Å; F702-G706 VanDerWaalsContact O-C 3.3Å; F702-G706 WeakPolarHBondContact O-CA 3.33Å; G703-G706 PolarHBondContact O-N 3.26Å; G706-Y708 PolarHBondContact O-N 2.81Å; G706-Y708 VanDerWaalsContact O-N 3.08Å; G706-R723 WeakPolarHBondContact O-CD 3.38Å | ||
| 707 | Q | 89.7 | Confident | 92.7 | Very high | 31 Ų | 31 | 15.5 Ų | 15.5 | 15% | 0.145 | 8% | 0.083 | C | C | . | . | trans | -62 | -17 | -174.1 | 63.2 | -87.9 | 22.1 | 0 | 0 | 114 | I29 F702 G703 Y705 R723 | I29-Q707 PolarHBondContact O-NE2 3.3Å; F702-Q707 PolarHBondContact O-N 2.91Å; G703-Q707 VanDerWaalsContact C-OE1 3.27Å; Y705-Q707 PolarHBondContact O-N 3.38Å; Q707-R723 VanDerWaalsContact O-CB 3.27Å; Q707-R723 WeakPolarHBondContact O-CB 3.29Å; Q707-R723 PolarHBondContact O-N 3.03Å | ||
| 708 | Y | 94.8 | Very high | 92.8 | Very high | 14 Ų | 14 | 15.5 Ų | 15.5 | 6% | 0.055 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 154.6 | 169.6 | -58.2 | -71.8 | 0 | 0 | 0 | 110.8 | I29 Q31 V34 F702 G706 I720 W721 D722 M729 | I29-Y708 HydrophobicContact CG2-CD2 3.92Å; I29-Y708 HydrophobicContact CG2-CE2 3.98Å; Q31-Y708 VanDerWaalsContact CA-OH 3.25Å; Q31-Y708 WeakPolarHBondContact CA-OH 3.32Å; Q31-Y708 PolarHBondContact N-OH 3Å; Q31-Y708 VanDerWaalsContact N-OH 3.12Å; V34-Y708 HydrophobicContact CG2-CD2 3.78Å; V34-Y708 HydrophobicContact CG2-CE1 4.43Å; V34-Y708 HydrophobicContact CG2-CE2 3.56Å; V34-Y708 HydrophobicContact CG2-CG 4.32Å; F702-Y708 HydrophobicContact CD1-CD2 4.35Å; F702-Y708 HydrophobicContact CD1-CG 4.48Å; F702-Y708 PolarHBondContact N-O 3.41Å; F702-Y708 PolarHBondContact O-N 2.84Å; F702-Y708 VanDerWaalsContact O-O 3.08Å; G706-Y708 PolarHBondContact O-N 2.81Å; G706-Y708 VanDerWaalsContact O-N 3.08Å; Y708-I720 HydrophobicContact CD1-CG2 4.38Å; Y708-I720 HydrophobicContact CG-CG2 4.4Å; Y708-W721 CarbonylContact C-O 3.47Å; Y708-W721 WeakPolarHBondContact CA-O 3.49Å; Y708-W721 WeakPolarHBondContact CB-O 3.23Å; Y708-D722 HydrophobicContact CD1-CB 4.44Å; Y708-D722 HydrophobicContact CE1-CB 4.37Å; Y708-M729 HydrophobicContact CD1-CG 4.34Å; Y708-M729 HydrophobicContact CE1-CG 4.25Å |
| 709 | I | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 139.7 | 166.5 | -58.4 | -58 | 0 | 0 | 0 | 107.9 | L297 Y686 F701 I720 W721 R723 | L297-I709 HydrophobicContact CD1-CD1 4.02Å; L297-I709 HydrophobicContact CD1-CG1 4.4Å; L297-I709 HydrophobicContact CD1-CG2 4.22Å; L297-I709 HydrophobicContact CD2-CD1 4.19Å; L297-I709 HydrophobicContact CD2-CG2 3.88Å; Y686-I709 HydrophobicContact CD1-CG1 4.44Å; Y686-I709 HydrophobicContact CD2-CG1 4.22Å; Y686-I709 HydrophobicContact CD2-CG2 4.3Å; Y686-I709 HydrophobicContact CE1-CG1 4.01Å; Y686-I709 HydrophobicContact CE2-CG1 3.74Å; F701-I709 HydrophobicContact CD1-CD1 3.54Å; F701-I709 HydrophobicContact CE1-CD1 3.87Å; F701-I709 HydrophobicContact CG-CD1 4.14Å; I709-I720 WeakPolarHBondContact O-CA 3.49Å; I709-W721 HydrophobicContact CB-CE3 4.37Å; I709-W721 HydrophobicContact CG2-CE3 4.18Å; I709-W721 PolarHBondContact N-O 3.21Å; I709-W721 PolarHBondContact O-N 2.96Å; I709-R723 HydrophobicContact CD1-CB 4.48Å; I709-R723 HydrophobicContact CD1-CG 4.14Å; I709-R723 HydrophobicContact CG1-CB 4.21Å; I709-R723 HydrophobicContact CG1-CG 4.18Å |
| 710 | V | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 145.7 | 174.3 | -61.8 | 0 | 0 | 0 | 0 | 110.6 | A699 N700 F702 F719 I720 V742 L751 | A699-V710 CarbonylContact C-O 3.56Å; A699-V710 WeakPolarHBondContact CA-O 3.3Å; N700-V710 HydrophobicContact CB-CG2 4.14Å; N700-V710 PolarHBondContact N-O 2.97Å; N700-V710 PolarHBondContact O-N 3.4Å; F702-V710 HydrophobicContact CB-CG1 3.72Å; F702-V710 HydrophobicContact CB-CG2 4.25Å; F702-V710 HydrophobicContact CD1-CG1 3.91Å; F702-V710 HydrophobicContact CG-CG1 4.04Å; V710-F719 WeakPolarHBondContact CA-O 3.41Å; V710-I720 HydrophobicContact CG1-CB 4.5Å; V710-I720 HydrophobicContact CG1-CG1 4.13Å; V710-I720 HydrophobicContact CG1-CG2 4.15Å; V710-V742 HydrophobicContact CB-CG1 4.11Å; V710-V742 HydrophobicContact CG2-CB 4.46Å; V710-V742 HydrophobicContact CG2-CG1 3.92Å; V710-L751 HydrophobicContact CG1-CD1 4.3Å |
| 711 | G | 97.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 143.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | E698 F718 F719 | E698-G711 WeakPolarHBondContact O-CA 3.47Å; G711-F718 VanDerWaalsContact O-CA 3.3Å; G711-F718 WeakPolarHBondContact O-CA 3.1Å; G711-F718 WeakPolarHBondContact O-CB 3.37Å; G711-F719 PolarHBondContact N-O 3.4Å; G711-F719 VanDerWaalsContact N-O 3.11Å; G711-F719 PolarHBondContact O-N 3.38Å |
| 712 | G | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 156.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | E698 V739 | E698-G712 PolarHBondContact O-N 3.18Å; G712-V739 WeakPolarHBondContact CA-O 3.32Å |
| 713 | S | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -137.4 | 152.4 | -179.4 | -167.3 | 0 | 0 | 0 | 0 | 112.3 | C690 C715 A717 V739 N787 | C690-S713 PolarHBondContact N-OG 3.28Å; C690-S713 WeakPolarHBondContact O-CA 3.37Å; S713-C715 PolarHBondContact O-N 2.86Å; S713-C715 PolarHBondContact OG-SG 3.33Å; S713-C715 VanDerWaalsContact OG-SG 3.39Å; S713-A717 WeakPolarHBondContact CB-O 3.48Å; S713-A717 PolarHBondContact N-O 3.28Å; S713-A717 VanDerWaalsContact N-O 3.07Å; S713-V739 PolarHBondContact O-N 2.82Å; S713-N787 PolarHBondContact OG-ND2 3.03Å | ||
| 714 | D | 92.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 21 | 170.9 | -79.4 | -36.3 | 0 | 0 | 0 | 114.4 | C690 N691 S692 I693 K697 S737 T738 R790 | C690-D714 HydrophobicContact CB-CB 4.18Å; C690-D714 PolarHBondContact O-N 3.14Å; N691-D714 WeakPolarHBondContact CA-OD2 3.46Å; S692-D714 PolarHBondContact N-OD2 3.49Å; I693-D714 WeakPolarHBondContact CB-OD1 2.96Å; I693-D714 HydrophobicContact CD1-CB 3.68Å; I693-D714 HydrophobicContact CG1-CB 4.02Å; I693-D714 PolarHBondContact N-OD2 2.99Å; K697-D714 WeakPolarHBondContact CE-OD1 3.42Å; K697-D714 WeakPolarHBondContact CE-OD2 3.39Å; K697-D714 IonicContact NZ-OD1 3.62Å; K697-D714 PolarHBondContact NZ-OD1 3.5Å; K697-D714 IonicContact NZ-OD2 2.72Å; K697-D714 PolarHBondContact NZ-OD2 2.83Å; D714-S737 CarbonylContact C-O 3.57Å; D714-S737 VanDerWaalsContact O-O 3.11Å; D714-T738 VanDerWaalsContact OD1-CG2 3.29Å; D714-T738 WeakPolarHBondContact OD1-CG2 3.45Å; D714-T738 PolarHBondContact OD1-OG1 2.83Å; D714-R790 PolarHBondContact O-NH1 3.31Å |
| 715 | C | 91.9 | Very high | 94.1 | Very high | 45 Ų | 45 | 18.4 Ų | 18.4 | 30% | 0.304 | 9% | 0.089 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 22.1 | 178.3 | 71 | 0 | 0 | 0 | 0 | 112.8 | S713 A717 S737 N787 | S713-C715 PolarHBondContact O-N 2.86Å; S713-C715 PolarHBondContact OG-SG 3.33Å; S713-C715 VanDerWaalsContact OG-SG 3.39Å; C715-A717 PolarHBondContact O-N 3.17Å; C715-A717 VanDerWaalsContact O-N 3.13Å; C715-S737 CarbonylContact C-O 3.2Å; C715-S737 PolarHBondContact N-O 3.08Å; C715-N787 VanDerWaalsContact CB-OD1 3.3Å; C715-N787 WeakPolarHBondContact CB-OD1 3.46Å; C715-N787 PolarHBondContact SG-ND2 3.25Å; C715-N787 VanDerWaalsContact SG-ND2 3.42Å |
| 716 | G | 93.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.01 | 8% | 0.076 | C | C | . | . | S | Bend | trans | 70.6 | 2.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | A734 D735 S737 | G716-A734 PolarHBondContact O-N 3.19Å; G716-D735 CarbonylContact C-O 3.43Å; G716-D735 WeakPolarHBondContact CA-O 3.35Å; G716-D735 PolarHBondContact O-N 3.29Å; G716-S737 VanDerWaalsContact N-C 3.35Å; G716-S737 PolarHBondContact N-O 2.53Å |
| 717 | A | 96.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 2% | 0.017 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 156 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | S713 C715 I731 L732 | S713-A717 WeakPolarHBondContact CB-O 3.48Å; S713-A717 PolarHBondContact N-O 3.28Å; S713-A717 VanDerWaalsContact N-O 3.07Å; C715-A717 PolarHBondContact O-N 3.17Å; C715-A717 VanDerWaalsContact O-N 3.13Å; A717-I731 HydrophobicContact CB-CG2 3.71Å; A717-L732 CarbonylContact C-O 3.44Å; A717-L732 WeakPolarHBondContact CA-O 3.32Å; A717-L732 WeakPolarHBondContact CB-O 3.46Å |
| 718 | F | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 154.2 | 161.3 | 67.8 | -85 | 0 | 0 | 0 | 110.7 | G711 I720 I731 L732 A734 V739 V742 L751 W763 | G711-F718 VanDerWaalsContact O-CA 3.3Å; G711-F718 WeakPolarHBondContact O-CA 3.1Å; G711-F718 WeakPolarHBondContact O-CB 3.37Å; F718-I720 HydrophobicContact CD2-CG1 4.21Å; F718-I720 HydrophobicContact CE2-CD1 4.07Å; F718-I720 HydrophobicContact CE2-CG1 4.07Å; F718-I731 WeakPolarHBondContact O-CA 3.45Å; F718-L732 HydrophobicContact CD1-CB 4.19Å; F718-L732 HydrophobicContact CE1-CB 3.62Å; F718-L732 HydrophobicContact CE1-CD1 4.29Å; F718-L732 HydrophobicContact CE2-CB 4.26Å; F718-L732 HydrophobicContact CE2-CD1 3.95Å; F718-L732 HydrophobicContact CZ-CB 3.68Å; F718-L732 HydrophobicContact CZ-CD1 3.51Å; F718-L732 HydrophobicContact CZ-CG 4.18Å; F718-L732 PolarHBondContact N-O 2.93Å; F718-L732 PolarHBondContact O-N 2.81Å; F718-A734 HydrophobicContact CD1-CB 4.09Å; F718-A734 HydrophobicContact CE1-CB 4.36Å; F718-V739 HydrophobicContact CB-CG1 4.47Å; F718-V742 HydrophobicContact CB-CG2 3.7Å; F718-V742 HydrophobicContact CD2-CG1 4.25Å; F718-V742 HydrophobicContact CG-CG1 4.49Å; F718-V742 HydrophobicContact CG-CG2 4.19Å; F718-L751 HydrophobicContact CE2-CD1 3.72Å; F718-L751 HydrophobicContact CZ-CD1 4.23Å; F718-W763 AromaticContact CE1-CD2 3.74Å; F718-W763 HydrophobicContact CE1-CD2 3.74Å; F718-W763 AromaticContact CE1-CE2 3.54Å; F718-W763 HydrophobicContact CE1-CE3 4.07Å; F718-W763 HydrophobicContact CE1-CG 4.27Å; F718-W763 HydrophobicContact CE1-CH2 4.18Å; F718-W763 AromaticContact CE1-CZ2 3.81Å; F718-W763 HydrophobicContact CE1-CZ2 3.81Å; F718-W763 HydrophobicContact CE1-CZ3 4.29Å; F718-W763 AromaticContact CE1-NE1 3.84Å; F718-W763 AromaticContact CZ-CD2 3.79Å; F718-W763 HydrophobicContact CZ-CD2 3.79Å; F718-W763 HydrophobicContact CZ-CE3 4.1Å; F718-W763 AromaticContact CZ-CG 3.99Å; F718-W763 HydrophobicContact CZ-CG 3.99Å |
| 719 | F | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 143.3 | -175.8 | -76.1 | -115.6 | 0 | 0 | 0 | 109.1 | G688 H689 V710 G711 W721 I728 I731 N787 | G688-F719 WeakPolarHBondContact O-CE1 3.46Å; G688-F719 WeakPolarHBondContact O-CZ 3.2Å; H689-F719 HydrophobicContact CB-CD2 4.02Å; H689-F719 HydrophobicContact CB-CE2 4.35Å; H689-F719 HydrophobicContact CB-CG 4.3Å; V710-F719 WeakPolarHBondContact CA-O 3.41Å; G711-F719 PolarHBondContact N-O 3.4Å; G711-F719 VanDerWaalsContact N-O 3.11Å; G711-F719 PolarHBondContact O-N 3.38Å; F719-W721 HydrophobicContact CB-CD2 4.28Å; F719-W721 HydrophobicContact CB-CE3 4.07Å; F719-W721 HydrophobicContact CB-CH2 3.32Å; F719-W721 HydrophobicContact CB-CZ2 3.53Å; F719-W721 HydrophobicContact CB-CZ3 3.6Å; F719-W721 HydrophobicContact CD1-CZ2 4.05Å; F719-W721 HydrophobicContact CG-CH2 4.12Å; F719-W721 HydrophobicContact CG-CZ2 4.01Å; F719-I728 HydrophobicContact CD1-CD1 4.14Å; F719-I728 HydrophobicContact CD1-CG1 4.43Å; F719-I728 HydrophobicContact CD1-CG2 4.46Å; F719-I728 HydrophobicContact CE1-CD1 4.14Å; F719-I731 HydrophobicContact CD1-CD1 3.81Å; F719-I731 HydrophobicContact CD1-CG1 3.65Å; F719-I731 HydrophobicContact CD2-CG2 4.25Å; F719-I731 HydrophobicContact CE1-CD1 3.28Å; F719-I731 HydrophobicContact CE1-CG1 3.67Å; F719-I731 HydrophobicContact CE1-CG2 4.44Å; F719-I731 HydrophobicContact CE2-CG2 3.97Å; F719-I731 HydrophobicContact CG-CG1 4.13Å; F719-I731 HydrophobicContact CZ-CD1 3.71Å; F719-I731 HydrophobicContact CZ-CG1 4.14Å; F719-I731 HydrophobicContact CZ-CG2 4.06Å; F719-N787 WeakPolarHBondContact CZ-ND2 3.41Å |
| 720 | I | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.9 | 172.1 | -46.5 | -176.5 | 0 | 0 | 0 | 107.8 | V34 L37 Y708 I709 V710 F718 M729 R730 L751 | V34-I720 HydrophobicContact CG1-CD1 4.14Å; V34-I720 HydrophobicContact CG1-CG2 3.93Å; L37-I720 HydrophobicContact CD1-CD1 3.65Å; Y708-I720 HydrophobicContact CD1-CG2 4.38Å; Y708-I720 HydrophobicContact CG-CG2 4.4Å; I709-I720 WeakPolarHBondContact O-CA 3.49Å; V710-I720 HydrophobicContact CG1-CB 4.5Å; V710-I720 HydrophobicContact CG1-CG1 4.13Å; V710-I720 HydrophobicContact CG1-CG2 4.15Å; F718-I720 HydrophobicContact CD2-CG1 4.21Å; F718-I720 HydrophobicContact CE2-CD1 4.07Å; F718-I720 HydrophobicContact CE2-CG1 4.07Å; I720-M729 PolarHBondContact O-N 3.15Å; I720-R730 HydrophobicContact CD1-CB 4.43Å; I720-R730 PolarHBondContact N-O 3.34Å; I720-R730 PolarHBondContact O-N 2.75Å; I720-L751 HydrophobicContact CD1-CD1 4.49Å |
| 721 | W | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 147.8 | 175.1 | -57.3 | -100.2 | 0 | 0 | 0 | 110.8 | I305 Y686 V687 H689 Y708 I709 F719 N727 | I305-W721 HydrophobicContact CD1-CH2 3.63Å; I305-W721 HydrophobicContact CD1-CZ3 3.82Å; Y686-W721 HydrophobicContact CD1-CB 3.66Å; Y686-W721 AromaticContact CD1-CG 3.92Å; Y686-W721 HydrophobicContact CD1-CG 3.92Å; Y686-W721 HydrophobicContact CE1-CB 4.35Å; Y686-W721 HydrophobicContact CG-CB 4.43Å; Y686-W721 HydrophobicContact CG-CD2 4.47Å; Y686-W721 HydrophobicContact CG-CG 4.32Å; V687-W721 PolarHBondContact O-NE1 3.4Å; V687-W721 VanDerWaalsContact O-NE1 3.08Å; H689-W721 HydrophobicContact CB-CH2 3.99Å; H689-W721 HydrophobicContact CB-CZ2 4.19Å; Y708-W721 CarbonylContact C-O 3.47Å; Y708-W721 WeakPolarHBondContact CA-O 3.49Å; Y708-W721 WeakPolarHBondContact CB-O 3.23Å; I709-W721 HydrophobicContact CB-CE3 4.37Å; I709-W721 HydrophobicContact CG2-CE3 4.18Å; I709-W721 PolarHBondContact N-O 3.21Å; I709-W721 PolarHBondContact O-N 2.96Å; F719-W721 HydrophobicContact CB-CD2 4.28Å; F719-W721 HydrophobicContact CB-CE3 4.07Å; F719-W721 HydrophobicContact CB-CH2 3.32Å; F719-W721 HydrophobicContact CB-CZ2 3.53Å; F719-W721 HydrophobicContact CB-CZ3 3.6Å; F719-W721 HydrophobicContact CD1-CZ2 4.05Å; F719-W721 HydrophobicContact CG-CH2 4.12Å; F719-W721 HydrophobicContact CG-CZ2 4.01Å; W721-N727 CarbonylContact C-O 3.23Å; W721-N727 WeakPolarHBondContact CA-O 3.25Å |
| 722 | D | 95.2 | Very high | 95.2 | Very high | 24 Ų | 24 | 15.6 Ų | 15.6 | 13% | 0.128 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 125.1 | 163 | 169.4 | 78.8 | 0 | 0 | 0 | 109.1 | Y708 N724 T725 T726 N727 M729 | Y708-D722 HydrophobicContact CD1-CB 4.44Å; Y708-D722 HydrophobicContact CE1-CB 4.37Å; D722-N724 PolarHBondContact O-N 3.29Å; D722-N724 PolarHBondContact OD2-N 2.89Å; D722-T725 WeakPolarHBondContact CB-OG1 3.45Å; D722-T725 WeakPolarHBondContact OD2-CB 3.25Å; D722-T725 WeakPolarHBondContact OD2-CG2 3.41Å; D722-T725 PolarHBondContact OD2-N 2.91Å; D722-T725 PolarHBondContact OD2-OG1 2.93Å; D722-T726 VanDerWaalsContact O-CA 3.3Å; D722-T726 WeakPolarHBondContact O-CA 3.34Å; D722-T726 PolarHBondContact O-N 2.96Å; D722-N727 PolarHBondContact N-O 2.86Å; D722-M729 HydrophobicContact CB-CG 3.88Å; D722-M729 HydrophobicContact CB-SD 3.75Å |
| 723 | R | 94.8 | Very high | 95.2 | Very high | 51 Ų | 51 | 21.1 Ų | 21.1 | 19% | 0.192 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -34.7 | -171.6 | -175.3 | -177.3 | 141.9 | -77.9 | -2.3 | 111.9 | E295 L307 Y686 G706 Q707 I709 | E295-R723 IonicContact OE1-CZ 2.75Å; E295-R723 IonicContact OE1-NH2 2.64Å; E295-R723 PolarHBondContact OE1-NH2 3.22Å; E295-R723 IonicContact OE2-CZ 2.74Å; E295-R723 IonicContact OE2-NE 2.75Å; E295-R723 PolarHBondContact OE2-NE 3.15Å; E295-R723 IonicContact OE2-NH2 3.24Å; E295-R723 PolarHBondContact OE2-NH2 3.16Å; L307-R723 HydrophobicContact CD2-CG 4.32Å; Y686-R723 VanDerWaalsContact OH-CG 3.32Å; Y686-R723 WeakPolarHBondContact OH-CG 3.35Å; Y686-R723 PolarHBondContact OH-O 3.4Å; G706-R723 WeakPolarHBondContact O-CD 3.38Å; Q707-R723 VanDerWaalsContact O-CB 3.27Å; Q707-R723 WeakPolarHBondContact O-CB 3.29Å; Q707-R723 PolarHBondContact O-N 3.03Å; I709-R723 HydrophobicContact CD1-CB 4.48Å; I709-R723 HydrophobicContact CD1-CG 4.14Å; I709-R723 HydrophobicContact CG1-CB 4.21Å; I709-R723 HydrophobicContact CG1-CG 4.18Å |
| 724 | N | 92.6 | Very high | 95.2 | Very high | 75 Ų | 75 | 21.2 Ų | 21.2 | 40% | 0.401 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -40.7 | -170.7 | -60.8 | -52.8 | 0 | 0 | 0 | 113.7 | D722 | D722-N724 PolarHBondContact O-N 3.29Å; D722-N724 PolarHBondContact OD2-N 2.89Å |
| 725 | T | 94.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 21.8 Ų | 21.8 | 8% | 0.08 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -8.8 | 178.7 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | N400 Q404 D722 N727 | N400-T725 VanDerWaalsContact CB-O 3.26Å; N400-T725 WeakPolarHBondContact CB-O 3.5Å; N400-T725 VanDerWaalsContact CG-O 3.26Å; N400-T725 PolarHBondContact ND2-O 3.24Å; Q404-T725 HydrophobicContact CB-CG2 4.25Å; Q404-T725 HydrophobicContact CG-CG2 4.39Å; D722-T725 WeakPolarHBondContact CB-OG1 3.45Å; D722-T725 WeakPolarHBondContact OD2-CB 3.25Å; D722-T725 WeakPolarHBondContact OD2-CG2 3.41Å; D722-T725 PolarHBondContact OD2-N 2.91Å; D722-T725 PolarHBondContact OD2-OG1 2.93Å; T725-N727 PolarHBondContact O-N 2.92Å; T725-N727 PolarHBondContact O-OD1 3.31Å; T725-N727 WeakPolarHBondContact OG1-CB 3.37Å; T725-N727 PolarHBondContact OG1-ND2 3.03Å |
| 726 | T | 96 | Very high | 95.2 | Very high | 35 Ų | 35 | 24.1 Ų | 24.1 | 22% | 0.215 | 13% | 0.128 | C | C | . | . | trans | 57 | 10.2 | -171.7 | 77.6 | 0 | 0 | 0 | 0 | 115.2 | A684 S685 Y686 D722 | A684-T726 HydrophobicContact CB-CG2 3.86Å; S685-T726 WeakPolarHBondContact O-CB 3.32Å; Y686-T726 HydrophobicContact CD1-CG2 4.25Å; Y686-T726 HydrophobicContact CE1-CG2 3.86Å; D722-T726 VanDerWaalsContact O-CA 3.3Å; D722-T726 WeakPolarHBondContact O-CA 3.34Å; D722-T726 PolarHBondContact O-N 2.96Å | ||
| 727 | N | 95.4 | Very high | 95 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.043 | 14% | 0.144 | C | C | . | . | trans | -76.3 | 135.8 | -176.8 | -75.3 | -23.7 | 0 | 0 | 0 | 111.2 | H397 N400 W721 D722 T725 M729 | H397-N727 WeakPolarHBondContact CA-OD1 3.39Å; H397-N727 WeakPolarHBondContact ND1-CB 3.3Å; H397-N727 PolarHBondContact ND1-OD1 2.75Å; H397-N727 PolarHBondContact O-ND2 3.44Å; N400-N727 WeakPolarHBondContact CB-OD1 3.33Å; N400-N727 PolarHBondContact ND2-OD1 3.3Å; W721-N727 CarbonylContact C-O 3.23Å; W721-N727 WeakPolarHBondContact CA-O 3.25Å; D722-N727 PolarHBondContact N-O 2.86Å; T725-N727 PolarHBondContact O-N 2.92Å; T725-N727 PolarHBondContact O-OD1 3.31Å; T725-N727 WeakPolarHBondContact OG1-CB 3.37Å; T725-N727 PolarHBondContact OG1-ND2 3.03Å; N727-M729 PolarHBondContact O-N 2.77Å | ||
| 728 | I | 95.5 | Very high | 94.9 | Very high | 27 Ų | 27 | 26.6 Ų | 26.6 | 14% | 0.138 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 125.5 | 165.3 | -57 | 169.2 | 0 | 0 | 0 | 107.6 | F719 I731 A784 | F719-I728 HydrophobicContact CD1-CD1 4.14Å; F719-I728 HydrophobicContact CD1-CG1 4.43Å; F719-I728 HydrophobicContact CD1-CG2 4.46Å; F719-I728 HydrophobicContact CE1-CD1 4.14Å; I728-I731 HydrophobicContact CG2-CD1 4.1Å; I728-I731 HydrophobicContact CG2-CG1 3.71Å; I728-A784 HydrophobicContact CD1-CB 4.05Å |
| 729 | M | 93.3 | Very high | 94.9 | Very high | 29 Ų | 29 | 26.6 Ų | 26.6 | 14% | 0.143 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -44.2 | 174.5 | -59 | -58 | -67.5 | 0 | 0 | 109.8 | Q31 V34 Y708 I720 D722 N727 Q780 | Q31-M729 HydrophobicContact CG-CE 3.7Å; V34-M729 HydrophobicContact CG1-CB 4.49Å; Y708-M729 HydrophobicContact CD1-CG 4.34Å; Y708-M729 HydrophobicContact CE1-CG 4.25Å; I720-M729 PolarHBondContact O-N 3.15Å; D722-M729 HydrophobicContact CB-CG 3.88Å; D722-M729 HydrophobicContact CB-SD 3.75Å; N727-M729 PolarHBondContact O-N 2.77Å; M729-Q780 PolarHBondContact O-NE2 2.94Å |
| 730 | R | 93.7 | Very high | 94.8 | Very high | 16 Ų | 16 | 26.8 Ų | 26.8 | 6% | 0.06 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 155.3 | -177.7 | -146.7 | 162.7 | -179.6 | -152.5 | -6.5 | 112.7 | V34 N35 L37 I720 L732 V776 | V34-R730 WeakPolarHBondContact O-CD 3.49Å; V34-R730 PolarHBondContact O-NH1 2.85Å; N35-R730 PolarHBondContact O-NH1 2.9Å; N35-R730 PolarHBondContact O-NH2 2.66Å; L37-R730 VanDerWaalsContact C-NH1 3.34Å; L37-R730 PolarHBondContact O-NH1 2.67Å; L37-R730 PolarHBondContact O-NH2 2.84Å; L37-R730 VanDerWaalsContact O-NH2 3.13Å; I720-R730 HydrophobicContact CD1-CB 4.43Å; I720-R730 PolarHBondContact N-O 3.34Å; I720-R730 PolarHBondContact O-N 2.75Å; R730-L732 HydrophobicContact CG-CD2 4.47Å; R730-L732 HydrophobicContact CG-CG 4.45Å; R730-V776 VanDerWaalsContact NH2-CG2 3.35Å |
| 731 | I | 96.2 | Very high | 94.8 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.5 | 174.2 | -55.5 | 171.1 | 0 | 0 | 0 | 107 | A717 F718 F719 I728 V777 Q780 A783 | A717-I731 HydrophobicContact CB-CG2 3.71Å; F718-I731 WeakPolarHBondContact O-CA 3.45Å; F719-I731 HydrophobicContact CD1-CD1 3.81Å; F719-I731 HydrophobicContact CD1-CG1 3.65Å; F719-I731 HydrophobicContact CD2-CG2 4.25Å; F719-I731 HydrophobicContact CE1-CD1 3.28Å; F719-I731 HydrophobicContact CE1-CG1 3.67Å; F719-I731 HydrophobicContact CE1-CG2 4.44Å; F719-I731 HydrophobicContact CE2-CG2 3.97Å; F719-I731 HydrophobicContact CG-CG1 4.13Å; F719-I731 HydrophobicContact CZ-CD1 3.71Å; F719-I731 HydrophobicContact CZ-CG1 4.14Å; F719-I731 HydrophobicContact CZ-CG2 4.06Å; I728-I731 HydrophobicContact CG2-CD1 4.1Å; I728-I731 HydrophobicContact CG2-CG1 3.71Å; I731-V777 HydrophobicContact CB-CB 3.98Å; I731-V777 HydrophobicContact CB-CG2 4.29Å; I731-V777 HydrophobicContact CG2-CB 3.9Å; I731-V777 HydrophobicContact CG2-CG2 3.72Å; I731-V777 PolarHBondContact O-N 3.45Å; I731-Q780 HydrophobicContact CD1-CB 3.84Å; I731-Q780 HydrophobicContact CD1-CG 4.05Å; I731-Q780 HydrophobicContact CG1-CG 4.35Å; I731-A783 HydrophobicContact CD1-CB 4.19Å |
| 732 | L | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 126.4 | -174.5 | -67.8 | 172.2 | 0 | 0 | 0 | 110 | L37 A717 F718 R730 A734 W763 V776 | L37-L732 HydrophobicContact CB-CD1 4.12Å; A717-L732 CarbonylContact C-O 3.44Å; A717-L732 WeakPolarHBondContact CA-O 3.32Å; A717-L732 WeakPolarHBondContact CB-O 3.46Å; F718-L732 HydrophobicContact CD1-CB 4.19Å; F718-L732 HydrophobicContact CE1-CB 3.62Å; F718-L732 HydrophobicContact CE1-CD1 4.29Å; F718-L732 HydrophobicContact CE2-CB 4.26Å; F718-L732 HydrophobicContact CE2-CD1 3.95Å; F718-L732 HydrophobicContact CZ-CB 3.68Å; F718-L732 HydrophobicContact CZ-CD1 3.51Å; F718-L732 HydrophobicContact CZ-CG 4.18Å; F718-L732 PolarHBondContact N-O 2.93Å; F718-L732 PolarHBondContact O-N 2.81Å; R730-L732 HydrophobicContact CG-CD2 4.47Å; R730-L732 HydrophobicContact CG-CG 4.45Å; L732-A734 PolarHBondContact O-N 2.92Å; L732-W763 HydrophobicContact CB-CE3 4.47Å; L732-W763 HydrophobicContact CB-CZ3 4.16Å; L732-W763 HydrophobicContact CD1-CE3 4.12Å; L732-V776 HydrophobicContact CD2-CB 4.47Å; L732-V776 HydrophobicContact CD2-CG2 3.89Å |
| 733 | K | 96.1 | Very high | 94.9 | Very high | 116 Ų | 116 | 26.7 Ų | 26.7 | 50% | 0.504 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 107.1 | 175.8 | -68 | -174.6 | 176.6 | -176.8 | 0 | 110.3 | W763 R775 V777 | K733-W763 WeakPolarHBondContact O-CH2 3.44Å; K733-R775 HydrophobicContact CB-CB 4.46Å; K733-R775 PolarHBondContact N-O 2.76Å; K733-R775 PolarHBondContact O-NH1 2.82Å; K733-V777 HydrophobicContact CD-CG2 4.49Å; K733-V777 HydrophobicContact CG-CG2 3.73Å |
| 734 | A | 95.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | trans | -89.9 | -67.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G716 F718 L732 V739 R761 W763 R775 | G716-A734 PolarHBondContact O-N 3.19Å; F718-A734 HydrophobicContact CD1-CB 4.09Å; F718-A734 HydrophobicContact CE1-CB 4.36Å; L732-A734 PolarHBondContact O-N 2.92Å; A734-V739 HydrophobicContact CB-CG2 3.83Å; A734-R761 WeakPolarHBondContact O-CD 3.46Å; A734-R761 PolarHBondContact O-NE 3.34Å; A734-R761 PolarHBondContact O-NH1 2.91Å; A734-W763 HydrophobicContact CB-CH2 4.1Å; A734-W763 HydrophobicContact CB-CZ2 3.51Å; A734-R775 PolarHBondContact O-NH1 2.88Å | ||
| 735 | D | 94.2 | Very high | 95 | Very high | 11 Ų | 11 | 22.5 Ų | 22.5 | 6% | 0.059 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -109.9 | 168.8 | -165 | -75.5 | 40.1 | 0 | 0 | 0 | 112.3 | G716 V739 G755 I756 D757 R761 | G716-D735 CarbonylContact C-O 3.43Å; G716-D735 WeakPolarHBondContact CA-O 3.35Å; G716-D735 PolarHBondContact O-N 3.29Å; D735-V739 HydrophobicContact CB-CG2 4.14Å; D735-G755 WeakPolarHBondContact OD2-CA 3.35Å; D735-G755 PolarHBondContact OD2-N 2.68Å; D735-G755 VanDerWaalsContact OD2-N 3.13Å; D735-I756 HydrophobicContact CB-CG2 4.26Å; D735-I756 PolarHBondContact OD2-N 2.84Å; D735-D757 WeakPolarHBondContact CA-OD2 3.49Å; D735-D757 PolarHBondContact OD2-N 3.41Å; D735-D757 VanDerWaalsContact OD2-N 3.16Å; D735-R761 IonicContact OD1-CZ 2.73Å; D735-R761 IonicContact OD1-NH1 3.35Å; D735-R761 PolarHBondContact OD1-NH1 2.65Å; D735-R761 IonicContact OD2-NH1 2.75Å |
| 736 | S | 91.1 | Very high | 94.6 | Very high | 95 Ų | 95 | 25.4 Ų | 25.4 | 66% | 0.664 | 15% | 0.145 | S | C | * | . | S | Bend | trans | -66.6 | -40.9 | -177.9 | 57.9 | 0 | 0 | 0 | 0 | 114.3 | I756 D757 | S736-I756 VanDerWaalsContact OG-CG2 3.31Å; S736-I756 WeakPolarHBondContact OG-CG2 3.15Å; S736-D757 VanDerWaalsContact CB-OD1 3.27Å; S736-D757 WeakPolarHBondContact CB-OD1 3.3Å; S736-D757 PolarHBondContact N-OD1 3.09Å; S736-D757 PolarHBondContact N-OD2 2.85Å; S736-D757 PolarHBondContact OG-OD1 2.89Å |
| 737 | S | 90.4 | Very high | 93.8 | Very high | 51 Ų | 51 | 26 Ų | 26 | 36% | 0.357 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -135.3 | -40.9 | -178.6 | 75.2 | 0 | 0 | 0 | 0 | 115.6 | D714 C715 G716 I756 | D714-S737 CarbonylContact C-O 3.57Å; D714-S737 VanDerWaalsContact O-O 3.11Å; C715-S737 CarbonylContact C-O 3.2Å; C715-S737 PolarHBondContact N-O 3.08Å; G716-S737 VanDerWaalsContact N-C 3.35Å; G716-S737 PolarHBondContact N-O 2.53Å; S737-I756 WeakPolarHBondContact OG-CG2 3.46Å |
| 738 | T | 93.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | trans | -139.3 | 134.2 | -175.7 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | T694 D714 N740 G755 I756 | T694-T738 HydrophobicContact CG2-CG2 4.08Å; D714-T738 VanDerWaalsContact OD1-CG2 3.29Å; D714-T738 WeakPolarHBondContact OD1-CG2 3.45Å; D714-T738 PolarHBondContact OD1-OG1 2.83Å; T738-N740 WeakPolarHBondContact CG2-OD1 3.22Å; T738-G755 WeakPolarHBondContact O-CA 3.5Å; T738-I756 PolarHBondContact O-N 2.89Å | ||
| 739 | V | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 118.2 | 166.9 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | G712 S713 F718 A734 D735 V742 | G712-V739 WeakPolarHBondContact CA-O 3.32Å; S713-V739 PolarHBondContact O-N 2.82Å; F718-V739 HydrophobicContact CB-CG1 4.47Å; A734-V739 HydrophobicContact CB-CG2 3.83Å; D735-V739 HydrophobicContact CB-CG2 4.14Å; V739-V742 HydrophobicContact CG1-CG2 3.73Å |
| 740 | N | 96.1 | Very high | 93 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -45.8 | 179.8 | -70 | -40.9 | 0 | 0 | 0 | 111.3 | T694 I696 K697 E698 T738 S754 | T694-N740 PolarHBondContact OG1-OD1 3.17Å; I696-N740 HydrophobicContact CD1-CB 4.13Å; I696-N740 HydrophobicContact CG1-CB 4.3Å; K697-N740 CarbonylContact C-O 3.55Å; K697-N740 VanDerWaalsContact CA-O 3.31Å; K697-N740 WeakPolarHBondContact CA-O 3.33Å; E698-N740 PolarHBondContact N-O 3Å; T738-N740 WeakPolarHBondContact CG2-OD1 3.22Å; N740-S754 PolarHBondContact N-O 2.96Å |
| 741 | C | 96.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.1 | -170.5 | -169 | 0 | 0 | 0 | 0 | 111.1 | L53 E698 Q743 S753 S754 | L53-C741 HydrophobicContact CD1-CB 4.49Å; L53-C741 HydrophobicContact CG-CB 4.37Å; L53-C741 PolarHBondContact N-SG 3.41Å; E698-C741 PolarHBondContact OE1-SG 2.57Å; C741-Q743 VanDerWaalsContact SG-CG 3.57Å; C741-S753 VanDerWaalsContact O-CA 3.26Å; C741-S753 WeakPolarHBondContact O-CA 3.14Å; C741-S754 WeakPolarHBondContact CB-OG 3.46Å; C741-S754 PolarHBondContact N-O 3.22Å; C741-S754 PolarHBondContact O-N 3.26Å |
| 742 | V | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 105.3 | 171.3 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | N700 V710 F718 V739 A752 | N700-V742 PolarHBondContact ND2-O 2.78Å; V710-V742 HydrophobicContact CB-CG1 4.11Å; V710-V742 HydrophobicContact CG2-CB 4.46Å; V710-V742 HydrophobicContact CG2-CG1 3.92Å; F718-V742 HydrophobicContact CB-CG2 3.7Å; F718-V742 HydrophobicContact CD2-CG1 4.25Å; F718-V742 HydrophobicContact CG-CG1 4.49Å; F718-V742 HydrophobicContact CG-CG2 4.19Å; V739-V742 HydrophobicContact CG1-CG2 3.73Å; V742-A752 CarbonylContact C-O 3.57Å; V742-A752 WeakPolarHBondContact CA-O 3.35Å |
| 743 | Q | 96.6 | Very high | 93.3 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 113.8 | -172 | -80.4 | -67.5 | -14.1 | 0 | 0 | 111.4 | L53 W55 E698 N700 C741 A752 | L53-Q743 HydrophobicContact CB-CB 4.3Å; L53-Q743 HydrophobicContact CB-CG 4.09Å; W55-Q743 PolarHBondContact NE1-O 3.34Å; W55-Q743 VanDerWaalsContact NE1-O 3.09Å; E698-Q743 PolarHBondContact OE2-NE2 3.18Å; N700-Q743 PolarHBondContact ND2-NE2 2.9Å; N700-Q743 VanDerWaalsContact ND2-NE2 3.17Å; C741-Q743 VanDerWaalsContact SG-CG 3.57Å; Q743-A752 PolarHBondContact N-O 2.76Å; Q743-A752 PolarHBondContact O-N 2.93Å |
| 744 | P | 95.4 | Very high | 93.4 | Very high | 24 Ų | 24 | 20.7 Ų | 20.7 | 16% | 0.156 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 141.9 | 176.6 | 31.4 | -33.3 | 0 | 0 | 0 | 111.4 | W55 N700 F701 F702 L751 | W55-P744 PolarHBondContact NE1-O 2.99Å; N700-P744 HydrophobicContact CB-CG 4.47Å; F701-P744 WeakPolarHBondContact O-CG 3.47Å; F702-P744 HydrophobicContact CD2-CB 3.67Å; F702-P744 HydrophobicContact CE2-CB 4.36Å; P744-L751 HydrophobicContact CB-CD2 3.69Å |
| 745 | H | 93.5 | Very high | 93.4 | Very high | 14 Ų | 14 | 20.6 Ų | 20.6 | 7% | 0.065 | 13% | 0.13 | C | C | . | . | trans | -65.1 | 139.3 | 172.7 | -175 | -83.9 | 0 | 0 | 0 | 110.4 | W55 G59 F77 S747 I748 L750 | W55-H745 AromaticContact CE3-CD2 3.83Å; W55-H745 AromaticContact CH2-CD2 3.83Å; W55-H745 HydrophobicContact CZ2-CB 4.16Å; W55-H745 AromaticContact CZ3-CD2 3.68Å; G59-H745 WeakPolarHBondContact CA-NE2 3.48Å; G59-H745 PolarHBondContact O-NE2 3.36Å; G59-H745 VanDerWaalsContact O-NE2 3.08Å; F77-H745 AromaticContact CZ-NE2 3.95Å; H745-S747 PolarHBondContact CE1-OG 3.14Å; H745-S747 PolarHBondContact ND1-N 3.29Å; H745-S747 VanDerWaalsContact ND1-N 3.19Å; H745-S747 PolarHBondContact ND1-OG 3.08Å; H745-S747 PolarHBondContact O-N 3.31Å; H745-S747 VanDerWaalsContact O-N 3.11Å; H745-I748 HydrophobicContact CB-CG1 4.23Å; H745-I748 VanDerWaalsContact ND1-CG1 3.29Å; H745-I748 WeakPolarHBondContact ND1-CG1 3.48Å; H745-I748 PolarHBondContact ND1-N 3.19Å; H745-L750 HydrophobicContact CB-CB 3.81Å; H745-L750 HydrophobicContact CB-CD2 4.31Å; H745-L750 HydrophobicContact CB-CG 4.39Å; H745-L750 WeakPolarHBondContact CB-O 3.37Å; H745-L750 PolarHBondContact N-O 2.88Å | ||
| 746 | P | 86.3 | Confident | 93.4 | Very high | 74 Ų | 74 | 23 Ų | 23 | 48% | 0.481 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -63.6 | -21 | -171.9 | 22.4 | -34.4 | 0 | 0 | 0 | 115.1 | ||
| 747 | S | 78.9 | Confident | 93.6 | Very high | 47 Ų | 47 | 20 Ų | 20 | 33% | 0.329 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -142.5 | 4.9 | -167.9 | 65.9 | 0 | 0 | 0 | 0 | 117.8 | Q28 H745 | Q28-S747 PolarHBondContact NE2-O 3.45Å; Q28-S747 PolarHBondContact OE1-O 3.06Å; H745-S747 PolarHBondContact CE1-OG 3.14Å; H745-S747 PolarHBondContact ND1-N 3.29Å; H745-S747 VanDerWaalsContact ND1-N 3.19Å; H745-S747 PolarHBondContact ND1-OG 3.08Å; H745-S747 PolarHBondContact O-N 3.31Å; H745-S747 VanDerWaalsContact O-N 3.11Å |
| 748 | I | 86.5 | Confident | 93.9 | Very high | 66 Ų | 66 | 20 Ų | 20 | 34% | 0.338 | 12% | 0.118 | S | C | . | . | S | Bend | trans | -145.4 | 167.9 | 175.9 | 61.7 | 155.8 | 0 | 0 | 0 | 111.3 | F77 H745 L750 | F77-I748 HydrophobicContact CE1-CD1 4.16Å; H745-I748 HydrophobicContact CB-CG1 4.23Å; H745-I748 VanDerWaalsContact ND1-CG1 3.29Å; H745-I748 WeakPolarHBondContact ND1-CG1 3.48Å; H745-I748 PolarHBondContact ND1-N 3.19Å; I748-L750 HydrophobicContact CD1-CB 3.88Å; I748-L750 HydrophobicContact CD1-CD2 4.26Å; I748-L750 HydrophobicContact CG1-CB 3.95Å; I748-L750 PolarHBondContact O-N 2.86Å |
| 749 | C | 89.5 | Confident | 94.1 | Very high | 16 Ų | 16 | 20.7 Ų | 20.7 | 11% | 0.108 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -75.4 | 71.1 | 176.1 | -164.1 | 0 | 0 | 0 | 0 | 111.6 | Q28 I29 P765 | Q28-C749 WeakPolarHBondContact O-CB 3.39Å; I29-C749 HydrophobicContact CG1-CB 3.78Å; C749-P765 HydrophobicContact CB-CG 4.27Å; C749-P765 WeakPolarHBondContact O-CD 3.37Å |
| 750 | L | 92.3 | Very high | 94.1 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | trans | -137 | 136.2 | 178.2 | -178.4 | 71.9 | 0 | 0 | 0 | 109 | W55 H745 I748 L762 W763 | W55-L750 HydrophobicContact CH2-CD2 3.74Å; W55-L750 HydrophobicContact CZ2-CD2 4.08Å; H745-L750 HydrophobicContact CB-CB 3.81Å; H745-L750 HydrophobicContact CB-CD2 4.31Å; H745-L750 HydrophobicContact CB-CG 4.39Å; H745-L750 WeakPolarHBondContact CB-O 3.37Å; H745-L750 PolarHBondContact N-O 2.88Å; I748-L750 HydrophobicContact CD1-CB 3.88Å; I748-L750 HydrophobicContact CD1-CD2 4.26Å; I748-L750 HydrophobicContact CG1-CB 3.95Å; I748-L750 PolarHBondContact O-N 2.86Å; L750-L762 HydrophobicContact CD1-CB 4.25Å; L750-W763 WeakPolarHBondContact CA-O 3.42Å | ||
| 751 | L | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 145.1 | 168.4 | -56.8 | 173.6 | 0 | 0 | 0 | 109.4 | L37 F702 V710 F718 I720 P744 L762 W763 | L37-L751 HydrophobicContact CD1-CD1 4.26Å; F702-L751 HydrophobicContact CD1-CD2 4.31Å; F702-L751 HydrophobicContact CD2-CD2 3.5Å; F702-L751 HydrophobicContact CE1-CD1 4.45Å; F702-L751 HydrophobicContact CE1-CD2 4.3Å; F702-L751 HydrophobicContact CE2-CD2 3.48Å; F702-L751 VanDerWaalsContact CE2-CD2 3.48Å; F702-L751 HydrophobicContact CE2-CG 4.13Å; F702-L751 HydrophobicContact CG-CD2 3.93Å; F702-L751 HydrophobicContact CZ-CD1 4.5Å; F702-L751 HydrophobicContact CZ-CD2 3.9Å; F702-L751 HydrophobicContact CZ-CG 4.12Å; V710-L751 HydrophobicContact CG1-CD1 4.3Å; F718-L751 HydrophobicContact CE2-CD1 3.72Å; F718-L751 HydrophobicContact CZ-CD1 4.23Å; I720-L751 HydrophobicContact CD1-CD1 4.49Å; P744-L751 HydrophobicContact CB-CD2 3.69Å; L751-L762 CarbonylContact O-C 3.55Å; L751-L762 WeakPolarHBondContact O-CA 3.47Å; L751-W763 HydrophobicContact CB-CB 4.18Å; L751-W763 PolarHBondContact N-O 3.16Å; L751-W763 PolarHBondContact O-N 3.27Å |
| 752 | A | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L53 W55 L62 V742 Q743 R761 L762 | L53-A752 HydrophobicContact CD1-CB 3.87Å; W55-A752 HydrophobicContact CZ2-CB 3.8Å; L62-A752 HydrophobicContact CD1-CB 4.25Å; L62-A752 HydrophobicContact CD2-CB 3.74Å; V742-A752 CarbonylContact C-O 3.57Å; V742-A752 WeakPolarHBondContact CA-O 3.35Å; Q743-A752 PolarHBondContact N-O 2.76Å; Q743-A752 PolarHBondContact O-N 2.93Å; A752-R761 CarbonylContact C-O 3.6Å; A752-R761 VanDerWaalsContact CA-O 3.3Å; A752-R761 WeakPolarHBondContact CA-O 3.48Å; A752-L762 HydrophobicContact CB-CD2 3.78Å |
| 753 | S | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 151.7 | 174.4 | 75 | 0 | 0 | 0 | 0 | 112.6 | C741 R761 W763 | C741-S753 VanDerWaalsContact O-CA 3.26Å; C741-S753 WeakPolarHBondContact O-CA 3.14Å; S753-R761 PolarHBondContact N-O 3.34Å; S753-R761 PolarHBondContact O-N 3.25Å; S753-W763 PolarHBondContact OG-NE1 2.79Å |
| 754 | S | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 164.5 | 174.3 | 72.1 | 0 | 0 | 0 | 0 | 112.2 | V50 N740 C741 | V50-S754 WeakPolarHBondContact O-CB 3.21Å; V50-S754 PolarHBondContact O-OG 3.05Å; N740-S754 PolarHBondContact N-O 2.96Å; C741-S754 WeakPolarHBondContact CB-OG 3.46Å; C741-S754 PolarHBondContact N-O 3.22Å; C741-S754 PolarHBondContact O-N 3.26Å |
| 755 | G | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | -126.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | C49 V50 D735 T738 D757 | C49-G755 CarbonylContact C-O 3.59Å; C49-G755 WeakPolarHBondContact CA-O 3.44Å; C49-G755 WeakPolarHBondContact CB-O 3.29Å; V50-G755 PolarHBondContact N-O 2.89Å; V50-G755 PolarHBondContact O-N 3.47Å; D735-G755 WeakPolarHBondContact OD2-CA 3.35Å; D735-G755 PolarHBondContact OD2-N 2.68Å; D735-G755 VanDerWaalsContact OD2-N 3.13Å; T738-G755 WeakPolarHBondContact O-CA 3.5Å; G755-D757 VanDerWaalsContact C-N 3.34Å |
| 756 | I | 94.2 | Very high | 93.4 | Very high | 63 Ų | 63 | 22.8 Ų | 22.8 | 32% | 0.323 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -71.8 | -29.4 | -179.6 | -160.9 | 77.4 | 0 | 0 | 0 | 112.2 | D735 S736 S737 T738 | D735-I756 HydrophobicContact CB-CG2 4.26Å; D735-I756 PolarHBondContact OD2-N 2.84Å; S736-I756 VanDerWaalsContact OG-CG2 3.31Å; S736-I756 WeakPolarHBondContact OG-CG2 3.15Å; S737-I756 WeakPolarHBondContact OG-CG2 3.46Å; T738-I756 PolarHBondContact O-N 2.89Å |
| 757 | D | 96.2 | Very high | 93 | Very high | 32 Ų | 32 | 23.8 Ų | 23.8 | 17% | 0.171 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -75.9 | 150.7 | 179.8 | -63.3 | 1.5 | 0 | 0 | 0 | 109.9 | D735 S736 G755 V759 R761 | D735-D757 WeakPolarHBondContact CA-OD2 3.49Å; D735-D757 PolarHBondContact OD2-N 3.41Å; D735-D757 VanDerWaalsContact OD2-N 3.16Å; S736-D757 VanDerWaalsContact CB-OD1 3.27Å; S736-D757 WeakPolarHBondContact CB-OD1 3.3Å; S736-D757 PolarHBondContact N-OD1 3.09Å; S736-D757 PolarHBondContact N-OD2 2.85Å; S736-D757 PolarHBondContact OG-OD1 2.89Å; G755-D757 VanDerWaalsContact C-N 3.34Å; D757-V759 HydrophobicContact CB-CG2 4.02Å; D757-V759 PolarHBondContact O-N 2.9Å; D757-R761 IonicContact OD2-CZ 2.71Å; D757-R761 VanDerWaalsContact OD2-CZ 3.22Å; D757-R761 IonicContact OD2-NH1 3.54Å; D757-R761 PolarHBondContact OD2-NH1 2.81Å; D757-R761 IonicContact OD2-NH2 3.47Å; D757-R761 PolarHBondContact OD2-NH2 3.31Å |
| 758 | S | 96.3 | Very high | 92.7 | Very high | 49 Ų | 49 | 28 Ų | 28 | 34% | 0.343 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -81.8 | 28.5 | -179.2 | 75.2 | 0 | 0 | 0 | 0 | 114.4 | H46 G48 | H46-S758 VanDerWaalsContact O-CB 3.28Å; H46-S758 WeakPolarHBondContact O-CB 3.46Å; H46-S758 PolarHBondContact O-OG 2.79Å; G48-S758 VanDerWaalsContact O-CA 3.32Å; G48-S758 WeakPolarHBondContact O-CA 3.26Å; G48-S758 WeakPolarHBondContact O-CB 3.4Å |
| 759 | V | 96.9 | Very high | 91.7 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 12% | 0.115 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.7 | -175.1 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | L43 Q44 D757 R761 | L43-V759 WeakPolarHBondContact O-CA 3.49Å; L43-V759 WeakPolarHBondContact O-CB 3.43Å; Q44-V759 HydrophobicContact CG-CG1 4Å; D757-V759 HydrophobicContact CB-CG2 4.02Å; D757-V759 PolarHBondContact O-N 2.9Å; V759-R761 HydrophobicContact CG2-CG 4.22Å |
| 760 | V | 97.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.8 | 172 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | S42 L43 V50 L53 L62 | S42-V760 CarbonylContact C-O 3.57Å; S42-V760 WeakPolarHBondContact CA-O 3.36Å; L43-V760 HydrophobicContact CB-CB 4.26Å; L43-V760 HydrophobicContact CD1-CB 4.44Å; L43-V760 HydrophobicContact CD1-CG1 4.46Å; L43-V760 PolarHBondContact N-O 3.06Å; L43-V760 PolarHBondContact O-N 2.81Å; V50-V760 HydrophobicContact CG1-CG2 4.01Å; L53-V760 HydrophobicContact CD1-CG1 4.05Å; L53-V760 HydrophobicContact CD2-CB 4.47Å; L53-V760 HydrophobicContact CD2-CG1 3.78Å; L53-V760 HydrophobicContact CD2-CG2 3.8Å; L62-V760 HydrophobicContact CD2-CG1 3.79Å |
| 761 | R | 97.5 | Very high | 88.9 | Confident | 21 Ų | 21 | 41 Ų | 41 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 131.1 | -175.2 | -66.2 | -175.8 | 170.3 | 102.6 | -4.3 | 111.1 | L39 A734 D735 A752 S753 D757 V759 W763 | L39-R761 HydrophobicContact CD1-CB 3.76Å; L39-R761 HydrophobicContact CD1-CG 4.05Å; A734-R761 WeakPolarHBondContact O-CD 3.46Å; A734-R761 PolarHBondContact O-NE 3.34Å; A734-R761 PolarHBondContact O-NH1 2.91Å; D735-R761 IonicContact OD1-CZ 2.73Å; D735-R761 IonicContact OD1-NH1 3.35Å; D735-R761 PolarHBondContact OD1-NH1 2.65Å; D735-R761 IonicContact OD2-NH1 2.75Å; A752-R761 CarbonylContact C-O 3.6Å; A752-R761 VanDerWaalsContact CA-O 3.3Å; A752-R761 WeakPolarHBondContact CA-O 3.48Å; S753-R761 PolarHBondContact N-O 3.34Å; S753-R761 PolarHBondContact O-N 3.25Å; D757-R761 IonicContact OD2-CZ 2.71Å; D757-R761 VanDerWaalsContact OD2-CZ 3.22Å; D757-R761 IonicContact OD2-NH1 3.54Å; D757-R761 PolarHBondContact OD2-NH1 2.81Å; D757-R761 IonicContact OD2-NH2 3.47Å; D757-R761 PolarHBondContact OD2-NH2 3.31Å; V759-R761 HydrophobicContact CG2-CG 4.22Å; R761-W763 HydrophobicContact CB-CZ2 3.85Å; R761-W763 PolarHBondContact O-NE1 3.5Å |
| 762 | L | 97.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 138 | 175.8 | -63 | -174.6 | 0 | 0 | 0 | 110.2 | E40 T41 L43 W55 L62 P76 L750 L751 A752 | E40-L762 PolarHBondContact N-O 2.9Å; T41-L762 HydrophobicContact CG2-CB 3.88Å; T41-L762 HydrophobicContact CG2-CD1 3.84Å; T41-L762 HydrophobicContact CG2-CG 4.08Å; T41-L762 PolarHBondContact N-O 3.11Å; T41-L762 PolarHBondContact O-N 3.4Å; L43-L762 HydrophobicContact CD1-CD1 4.22Å; L43-L762 HydrophobicContact CD1-CG 4.28Å; W55-L762 HydrophobicContact CH2-CD2 4.31Å; W55-L762 HydrophobicContact CZ2-CD2 4.45Å; L62-L762 HydrophobicContact CD2-CD2 4.15Å; P76-L762 HydrophobicContact CB-CD1 3.86Å; P76-L762 WeakPolarHBondContact O-CD1 3.47Å; L750-L762 HydrophobicContact CD1-CB 4.25Å; L751-L762 CarbonylContact O-C 3.55Å; L751-L762 WeakPolarHBondContact O-CA 3.47Å; A752-L762 HydrophobicContact CB-CD2 3.78Å |
| 763 | W | 95.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 117.6 | -174 | -48.3 | 79.7 | 0 | 0 | 0 | 111.2 | G38 L39 F718 L732 K733 A734 L750 L751 S753 R761 | G38-W763 WeakPolarHBondContact O-CA 3.22Å; G38-W763 WeakPolarHBondContact O-CB 3.49Å; G38-W763 VanDerWaalsContact O-CE3 3.32Å; L39-W763 HydrophobicContact CB-CE3 4.13Å; L39-W763 HydrophobicContact CB-CH2 4.17Å; L39-W763 HydrophobicContact CB-CZ3 3.8Å; L39-W763 HydrophobicContact CD1-CD2 4.38Å; L39-W763 HydrophobicContact CD1-CE3 4.49Å; L39-W763 HydrophobicContact CD1-CH2 4.02Å; L39-W763 HydrophobicContact CD1-CZ2 3.92Å; L39-W763 HydrophobicContact CD1-CZ3 4.33Å; F718-W763 AromaticContact CE1-CD2 3.74Å; F718-W763 HydrophobicContact CE1-CD2 3.74Å; F718-W763 AromaticContact CE1-CE2 3.54Å; F718-W763 HydrophobicContact CE1-CE3 4.07Å; F718-W763 HydrophobicContact CE1-CG 4.27Å; F718-W763 HydrophobicContact CE1-CH2 4.18Å; F718-W763 AromaticContact CE1-CZ2 3.81Å; F718-W763 HydrophobicContact CE1-CZ2 3.81Å; F718-W763 HydrophobicContact CE1-CZ3 4.29Å; F718-W763 AromaticContact CE1-NE1 3.84Å; F718-W763 AromaticContact CZ-CD2 3.79Å; F718-W763 HydrophobicContact CZ-CD2 3.79Å; F718-W763 HydrophobicContact CZ-CE3 4.1Å; F718-W763 AromaticContact CZ-CG 3.99Å; F718-W763 HydrophobicContact CZ-CG 3.99Å; L732-W763 HydrophobicContact CB-CE3 4.47Å; L732-W763 HydrophobicContact CB-CZ3 4.16Å; L732-W763 HydrophobicContact CD1-CE3 4.12Å; K733-W763 WeakPolarHBondContact O-CH2 3.44Å; A734-W763 HydrophobicContact CB-CH2 4.1Å; A734-W763 HydrophobicContact CB-CZ2 3.51Å; L750-W763 WeakPolarHBondContact CA-O 3.42Å; L751-W763 HydrophobicContact CB-CB 4.18Å; L751-W763 PolarHBondContact N-O 3.16Å; L751-W763 PolarHBondContact O-N 3.27Å; S753-W763 PolarHBondContact OG-NE1 2.79Å; R761-W763 HydrophobicContact CB-CZ2 3.85Å; R761-W763 PolarHBondContact O-NE1 3.5Å |
| 764 | S | 92.3 | Very high | 85.6 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 16% | 0.161 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 166.5 | 177.6 | 63.3 | 0 | 0 | 0 | 0 | 110.7 | L37 G38 E40 N766 | L37-S764 CarbonylContact C-O 3.14Å; L37-S764 WeakPolarHBondContact CA-O 3.2Å; G38-S764 PolarHBondContact N-O 3.06Å; G38-S764 PolarHBondContact O-N 3.48Å; E40-S764 VanDerWaalsContact OE2-CB 3.26Å; E40-S764 WeakPolarHBondContact OE2-CB 3.45Å; E40-S764 PolarHBondContact OE2-OG 3.41Å; S764-N766 PolarHBondContact O-N 2.82Å; S764-N766 PolarHBondContact O-OD1 2.89Å |
| 765 | P | 90.7 | Very high | 85.2 | Confident | 32 Ų | 32 | 58 Ų | 58 | 21% | 0.208 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 109.7 | -176.5 | -22.2 | 35.3 | 0 | 0 | 0 | 113.2 | L33 R36 L37 C749 | L33-P765 HydrophobicContact CB-CB 4.43Å; L33-P765 HydrophobicContact CB-CG 3.95Å; L33-P765 HydrophobicContact CD2-CB 3.99Å; L33-P765 HydrophobicContact CD2-CG 4.02Å; R36-P765 HydrophobicContact CB-CB 3.99Å; L37-P765 HydrophobicContact CD2-CG 4.13Å; C749-P765 HydrophobicContact CB-CG 4.27Å; C749-P765 WeakPolarHBondContact O-CD 3.37Å |
| 766 | N | 86.3 | Confident | 85 | Confident | 31 Ų | 31 | 59.1 Ų | 59.1 | 17% | 0.166 | 32% | 0.323 | C | S | . | . | trans | -63.3 | 161.7 | 176.4 | -66.3 | 28.1 | 0 | 0 | 0 | 111.4 | R36 G38 S764 D770 | R36-N766 PolarHBondContact NE-O 2.91Å; R36-N766 PolarHBondContact NH2-O 3.21Å; R36-N766 PolarHBondContact O-N 3.32Å; G38-N766 WeakPolarHBondContact CA-OD1 3.13Å; G38-N766 PolarHBondContact N-OD1 3.18Å; S764-N766 PolarHBondContact O-N 2.82Å; S764-N766 PolarHBondContact O-OD1 2.89Å; N766-D770 HydrophobicContact CB-CB 4.18Å; N766-D770 WeakPolarHBondContact CB-OD2 3.4Å; N766-D770 PolarHBondContact ND2-OD2 3.05Å | ||
| 767 | C | 79.5 | Confident | 85 | Confident | 95 Ų | 95 | 57 Ų | 57 | 64% | 0.642 | 31% | 0.313 | S | S | * | . | trans | -59.1 | 152.2 | 172.6 | -68.6 | 0 | 0 | 0 | 0 | 111.7 | E769 D770 | C767-E769 PolarHBondContact O-N 2.93Å; C767-D770 WeakPolarHBondContact O-CB 3.44Å; C767-D770 PolarHBondContact O-N 2.94Å | ||
| 768 | E | 70.6 | Confident | 84.7 | Confident | 136 Ų | 136 | 65.4 Ų | 65.4 | 64% | 0.636 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -27.5 | -179 | -77.7 | 165.8 | -141.7 | 0 | 0 | 113.3 | H32 R36 | H32-E768 IonicContact CE1-OE1 3.77Å; H32-E768 PolarHBondContact CE1-OE1 3.08Å; H32-E768 IonicContact NE2-OE1 3.19Å; R36-E768 IonicContact CZ-OE1 3.85Å; R36-E768 IonicContact NH1-OE1 3.58Å; R36-E768 PolarHBondContact NH1-OE1 2.87Å |
| 769 | E | 66.2 | Low | 84.5 | Confident | 188 Ų | 188 | 66.8 Ų | 66.8 | 88% | 0.879 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.7 | 179.7 | -58.7 | -178.5 | 163.4 | 0 | 0 | 113 | C767 P771 | C767-E769 PolarHBondContact O-N 2.93Å; E769-P771 VanDerWaalsContact O-CD 3.23Å; E769-P771 WeakPolarHBondContact O-CD 3.25Å |
| 770 | D | 65.2 | Low | 84.3 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | trans | -67 | 114.7 | -177.3 | -175.1 | -1.2 | 0 | 0 | 0 | 111.1 | N766 C767 D772 | N766-D770 HydrophobicContact CB-CB 4.18Å; N766-D770 WeakPolarHBondContact CB-OD2 3.4Å; N766-D770 PolarHBondContact ND2-OD2 3.05Å; C767-D770 WeakPolarHBondContact O-CB 3.44Å; C767-D770 PolarHBondContact O-N 2.94Å; D770-D772 VanDerWaalsContact C-N 3.27Å; D770-D772 PolarHBondContact O-N 2.94Å; D770-D772 PolarHBondContact OD1-N 3.09Å | ||
| 771 | P | 59 | Low | 84 | Confident | 123 Ų | 123 | 71.1 Ų | 71.1 | 80% | 0.799 | 37% | 0.368 | S | S | * | . | trans | -72.9 | -18.6 | 179.5 | 31.9 | -35.9 | 0 | 0 | 0 | 112.7 | E769 Q773 | E769-P771 VanDerWaalsContact O-CD 3.23Å; E769-P771 WeakPolarHBondContact O-CD 3.25Å; P771-Q773 VanDerWaalsContact C-N 3.26Å; P771-Q773 PolarHBondContact O-N 2.82Å | ||
| 772 | D | 67 | Low | 83.7 | Confident | 97 Ų | 97 | 70.5 Ų | 70.5 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | trans | -80.7 | 70.6 | -174.6 | -166.3 | 5 | 0 | 0 | 0 | 113.3 | D770 S774 | D770-D772 VanDerWaalsContact C-N 3.27Å; D770-D772 PolarHBondContact O-N 2.94Å; D770-D772 PolarHBondContact OD1-N 3.09Å; D772-S774 PolarHBondContact O-N 2.85Å; D772-S774 WeakPolarHBondContact OD1-CB 3.43Å; D772-S774 PolarHBondContact OD1-N 2.94Å; D772-S774 PolarHBondContact OD1-OG 2.94Å | ||
| 773 | Q | 75.7 | Confident | 83.5 | Confident | 99 Ų | 99 | 71 Ų | 71 | 46% | 0.463 | 37% | 0.372 | S | S | . | . | trans | -88.5 | 22.7 | 165.2 | -58.3 | -172.4 | 13.6 | 0 | 0 | 112.3 | P771 R775 V776 | P771-Q773 VanDerWaalsContact C-N 3.26Å; P771-Q773 PolarHBondContact O-N 2.82Å; Q773-R775 PolarHBondContact O-N 2.86Å; Q773-V776 HydrophobicContact CB-CB 4.41Å; Q773-V776 HydrophobicContact CB-CG2 3.91Å; Q773-V776 WeakPolarHBondContact O-CB 3.36Å; Q773-V776 PolarHBondContact O-N 2.99Å | ||
| 774 | S | 79.8 | Confident | 83.4 | Confident | 82 Ų | 82 | 71 Ų | 71 | 57% | 0.573 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.3 | -174 | 62.3 | 0 | 0 | 0 | 0 | 113.8 | D772 | D772-S774 PolarHBondContact O-N 2.85Å; D772-S774 WeakPolarHBondContact OD1-CB 3.43Å; D772-S774 PolarHBondContact OD1-N 2.94Å; D772-S774 PolarHBondContact OD1-OG 2.94Å |
| 775 | R | 90.2 | Very high | 83.4 | Confident | 78 Ų | 78 | 73.7 Ų | 73.7 | 29% | 0.294 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -8.3 | 179.7 | -68.5 | 179.4 | 172.9 | -90 | 1.4 | 114.1 | K733 A734 Q773 V777 | K733-R775 HydrophobicContact CB-CB 4.46Å; K733-R775 PolarHBondContact N-O 2.76Å; K733-R775 PolarHBondContact O-NH1 2.82Å; A734-R775 PolarHBondContact O-NH1 2.88Å; Q773-R775 PolarHBondContact O-N 2.86Å; R775-V777 PolarHBondContact O-N 2.94Å |
| 776 | V | 91.5 | Very high | 83.4 | Confident | 24 Ų | 24 | 78.1 Ų | 78.1 | 15% | 0.145 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -78.4 | 122 | 178.2 | -173.4 | 0 | 0 | 0 | 0 | 110.1 | R730 L732 Q773 R778 | R730-V776 VanDerWaalsContact NH2-CG2 3.35Å; L732-V776 HydrophobicContact CD2-CB 4.47Å; L732-V776 HydrophobicContact CD2-CG2 3.89Å; Q773-V776 HydrophobicContact CB-CB 4.41Å; Q773-V776 HydrophobicContact CB-CG2 3.91Å; Q773-V776 WeakPolarHBondContact O-CB 3.36Å; Q773-V776 PolarHBondContact O-N 2.99Å; V776-R778 PolarHBondContact O-N 2.92Å; V776-R778 VanDerWaalsContact O-N 3.09Å |
| 777 | V | 92.3 | Very high | 83.6 | Confident | 19 Ų | 19 | 76.9 Ų | 76.9 | 12% | 0.115 | 39% | 0.388 | C | S | . | . | trans | -77.8 | 100.5 | 173.5 | -176.2 | 0 | 0 | 0 | 0 | 109 | I731 K733 R775 Q780 A783 | I731-V777 HydrophobicContact CB-CB 3.98Å; I731-V777 HydrophobicContact CB-CG2 4.29Å; I731-V777 HydrophobicContact CG2-CB 3.9Å; I731-V777 HydrophobicContact CG2-CG2 3.72Å; I731-V777 PolarHBondContact O-N 3.45Å; K733-V777 HydrophobicContact CD-CG2 4.49Å; K733-V777 HydrophobicContact CG-CG2 3.73Å; R775-V777 PolarHBondContact O-N 2.94Å; V777-Q780 WeakPolarHBondContact O-CG 3.49Å; V777-A783 HydrophobicContact CG1-CB 3.8Å | ||
| 778 | R | 90.1 | Very high | 84.1 | Confident | 209 Ų | 209 | 72.7 Ų | 72.7 | 79% | 0.789 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -65.4 | -41.1 | -179.4 | -62.2 | -178.9 | -179.1 | 174.5 | -0.2 | 112.6 | V776 Q780 | V776-R778 PolarHBondContact O-N 2.92Å; V776-R778 VanDerWaalsContact O-N 3.09Å; R778-Q780 VanDerWaalsContact C-N 3.33Å; R778-Q780 PolarHBondContact O-N 3.44Å; R778-Q780 VanDerWaalsContact O-N 3.1Å |
| 779 | D | 92.1 | Very high | 84.8 | Confident | 77 Ų | 77 | 71.2 Ų | 71.2 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | trans | -81.9 | 73.9 | 173.5 | 172 | 36.3 | 0 | 0 | 0 | 110.6 | G782 A783 R786 | D779-G782 WeakPolarHBondContact OD1-CA 3.18Å; D779-G782 PolarHBondContact OD1-N 2.77Å; D779-G782 VanDerWaalsContact OD2-CA 3.32Å; D779-G782 WeakPolarHBondContact OD2-CA 3.31Å; D779-A783 WeakPolarHBondContact O-CB 3.43Å; D779-A783 PolarHBondContact O-N 3.42Å; D779-A783 VanDerWaalsContact O-N 3.12Å; D779-R786 IonicContact OD2-CZ 2.98Å; D779-R786 IonicContact OD2-NH1 2.91Å; D779-R786 PolarHBondContact OD2-NH1 3.07Å; D779-R786 IonicContact OD2-NH2 3.97Å; D779-R786 PolarHBondContact OD2-NH2 3.25Å | ||
| 780 | Q | 92.7 | Very high | 85.6 | Confident | 56 Ų | 56 | 64.6 Ų | 64.6 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.8 | -37 | -178.8 | -62.1 | -172.8 | 13.8 | 0 | 0 | 112.7 | M729 I731 V777 R778 A784 | M729-Q780 PolarHBondContact O-NE2 2.94Å; I731-Q780 HydrophobicContact CD1-CB 3.84Å; I731-Q780 HydrophobicContact CD1-CG 4.05Å; I731-Q780 HydrophobicContact CG1-CG 4.35Å; V777-Q780 WeakPolarHBondContact O-CG 3.49Å; R778-Q780 VanDerWaalsContact C-N 3.33Å; R778-Q780 PolarHBondContact O-N 3.44Å; R778-Q780 VanDerWaalsContact O-N 3.1Å; Q780-A784 PolarHBondContact O-N 3.16Å; Q780-A784 VanDerWaalsContact O-N 3.12Å |
| 781 | V | 91.9 | Very high | 86.4 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 33% | 0.333 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.4 | -54 | -178.9 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | A393 V394 A783 A784 E785 | A393-V781 HydrophobicContact CB-CG1 3.66Å; A393-V781 HydrophobicContact CB-CG2 4.35Å; V394-V781 HydrophobicContact CG2-CG2 4.48Å; V781-A783 PolarHBondContact O-N 2.85Å; V781-A784 PolarHBondContact O-N 2.87Å; V781-A784 VanDerWaalsContact O-N 3.1Å; V781-E785 HydrophobicContact CG1-CG 4.43Å; V781-E785 WeakPolarHBondContact CG1-OE1 3.41Å; V781-E785 WeakPolarHBondContact O-CG 3.26Å; V781-E785 PolarHBondContact O-N 3.32Å |
| 782 | G | 91.6 | Very high | 87.3 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 7% | 0.072 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.4 | -27.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D779 R786 | D779-G782 WeakPolarHBondContact OD1-CA 3.18Å; D779-G782 PolarHBondContact OD1-N 2.77Å; D779-G782 VanDerWaalsContact OD2-CA 3.32Å; D779-G782 WeakPolarHBondContact OD2-CA 3.31Å; G782-R786 VanDerWaalsContact C-NH2 3.35Å; G782-R786 WeakPolarHBondContact O-CB 3.39Å; G782-R786 VanDerWaalsContact O-CG 3.25Å; G782-R786 WeakPolarHBondContact O-CG 3.46Å; G782-R786 PolarHBondContact O-N 3.26Å; G782-R786 PolarHBondContact O-NE 3.16Å; G782-R786 PolarHBondContact O-NH1 3.03Å |
| 783 | A | 92.9 | Very high | 87.6 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I731 V777 D779 V781 R786 N787 | I731-A783 HydrophobicContact CD1-CB 4.19Å; V777-A783 HydrophobicContact CG1-CB 3.8Å; D779-A783 WeakPolarHBondContact O-CB 3.43Å; D779-A783 PolarHBondContact O-N 3.42Å; D779-A783 VanDerWaalsContact O-N 3.12Å; V781-A783 PolarHBondContact O-N 2.85Å; A783-R786 VanDerWaalsContact N-NH2 3.17Å; A783-N787 PolarHBondContact O-N 3.28Å; A783-N787 VanDerWaalsContact O-N 3.12Å |
| 784 | A | 93.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W425 I728 Q780 V781 N787 Q788 | W425-A784 HydrophobicContact CH2-CB 3.55Å; W425-A784 HydrophobicContact CZ3-CB 3.69Å; I728-A784 HydrophobicContact CD1-CB 4.05Å; Q780-A784 PolarHBondContact O-N 3.16Å; Q780-A784 VanDerWaalsContact O-N 3.12Å; V781-A784 PolarHBondContact O-N 2.87Å; V781-A784 VanDerWaalsContact O-N 3.1Å; A784-N787 PolarHBondContact O-N 2.91Å; A784-Q788 VanDerWaalsContact O-CG 3.31Å; A784-Q788 WeakPolarHBondContact O-CG 3.28Å; A784-Q788 PolarHBondContact O-N 3.12Å |
| 785 | E | 91.8 | Very high | 86.8 | Confident | 80 Ų | 80 | 53.5 Ų | 53.5 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 176.1 | -70.5 | 173.9 | 171.4 | 0 | 0 | 112.2 | W425 V781 N787 Q788 Q789 | W425-E785 HydrophobicContact CH2-CG 4.31Å; W425-E785 HydrophobicContact CZ2-CB 4.5Å; W425-E785 HydrophobicContact CZ2-CG 3.38Å; V781-E785 HydrophobicContact CG1-CG 4.43Å; V781-E785 WeakPolarHBondContact CG1-OE1 3.41Å; V781-E785 WeakPolarHBondContact O-CG 3.26Å; V781-E785 PolarHBondContact O-N 3.32Å; E785-N787 VanDerWaalsContact C-N 3.28Å; E785-N787 PolarHBondContact O-N 3.5Å; E785-Q788 PolarHBondContact O-N 2.88Å; E785-Q789 WeakPolarHBondContact O-CG 3.33Å; E785-Q789 PolarHBondContact O-N 3.24Å |
| 786 | R | 90.7 | Very high | 86.1 | Confident | 124 Ų | 124 | 54.9 Ų | 54.9 | 47% | 0.468 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 175.3 | -72.6 | -179.9 | -64.7 | -92.3 | 4.5 | 112.1 | D779 G782 A783 R790 | D779-R786 IonicContact OD2-CZ 2.98Å; D779-R786 IonicContact OD2-NH1 2.91Å; D779-R786 PolarHBondContact OD2-NH1 3.07Å; D779-R786 IonicContact OD2-NH2 3.97Å; D779-R786 PolarHBondContact OD2-NH2 3.25Å; G782-R786 VanDerWaalsContact C-NH2 3.35Å; G782-R786 WeakPolarHBondContact O-CB 3.39Å; G782-R786 VanDerWaalsContact O-CG 3.25Å; G782-R786 WeakPolarHBondContact O-CG 3.46Å; G782-R786 PolarHBondContact O-N 3.26Å; G782-R786 PolarHBondContact O-NE 3.16Å; G782-R786 PolarHBondContact O-NH1 3.03Å; A783-R786 VanDerWaalsContact N-NH2 3.17Å; R786-R790 WeakPolarHBondContact O-CB 3.42Å; R786-R790 PolarHBondContact O-N 2.96Å |
| 787 | N | 91.7 | Very high | 85.2 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.9 | -39.5 | 175.1 | -78.2 | -10.5 | 0 | 0 | 0 | 112.8 | G688 C690 S713 C715 F719 A783 A784 E785 Q789 R790 S791 | G688-N787 VanDerWaalsContact O-CB 3.24Å; G688-N787 WeakPolarHBondContact O-CB 3.28Å; G688-N787 PolarHBondContact O-ND2 2.91Å; C690-N787 HydrophobicContact CB-CB 3.93Å; S713-N787 PolarHBondContact OG-ND2 3.03Å; C715-N787 VanDerWaalsContact CB-OD1 3.3Å; C715-N787 WeakPolarHBondContact CB-OD1 3.46Å; C715-N787 PolarHBondContact SG-ND2 3.25Å; C715-N787 VanDerWaalsContact SG-ND2 3.42Å; F719-N787 WeakPolarHBondContact CZ-ND2 3.41Å; A783-N787 PolarHBondContact O-N 3.28Å; A783-N787 VanDerWaalsContact O-N 3.12Å; A784-N787 PolarHBondContact O-N 2.91Å; E785-N787 VanDerWaalsContact C-N 3.28Å; E785-N787 PolarHBondContact O-N 3.5Å; N787-Q789 VanDerWaalsContact C-N 3.34Å; N787-R790 PolarHBondContact O-N 2.78Å; N787-S791 PolarHBondContact O-N 3.18Å; N787-S791 PolarHBondContact O-OG 3.22Å |
| 788 | Q | 89.9 | Confident | 83.9 | Confident | 7 Ų | 7 | 57.1 Ų | 57.1 | 3% | 0.033 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.9 | -37.2 | 175.7 | -69.7 | -70.5 | -44.9 | 0 | 0 | 112 | W425 A784 E785 S791 N792 | W425-Q788 HydrophobicContact CB-CG 4.03Å; W425-Q788 HydrophobicContact CD2-CG 3.75Å; W425-Q788 HydrophobicContact CE3-CG 3.8Å; W425-Q788 HydrophobicContact CG-CB 4.34Å; W425-Q788 HydrophobicContact CG-CG 3.82Å; A784-Q788 VanDerWaalsContact O-CG 3.31Å; A784-Q788 WeakPolarHBondContact O-CG 3.28Å; A784-Q788 PolarHBondContact O-N 3.12Å; E785-Q788 PolarHBondContact O-N 2.88Å; Q788-S791 PolarHBondContact O-N 3.03Å; Q788-N792 PolarHBondContact O-N 2.92Å; Q788-N792 PolarHBondContact O-ND2 3.45Å |
| 789 | Q | 84.6 | Confident | 82.9 | Confident | 106 Ų | 106 | 51 Ų | 51 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 169.7 | -69.3 | 168.8 | -5.8 | 0 | 0 | 110.9 | E785 N787 S791 N792 A793 | E785-Q789 WeakPolarHBondContact O-CG 3.33Å; E785-Q789 PolarHBondContact O-N 3.24Å; N787-Q789 VanDerWaalsContact C-N 3.34Å; Q789-S791 VanDerWaalsContact C-N 3.31Å; Q789-S791 PolarHBondContact O-N 3.36Å; Q789-N792 PolarHBondContact O-N 2.84Å; Q789-N792 VanDerWaalsContact O-N 3.14Å; Q789-A793 PolarHBondContact O-N 3.03Å |
| 790 | R | 83.9 | Confident | 82 | Confident | 49 Ų | 49 | 49.3 Ų | 49.3 | 19% | 0.185 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -32.7 | 177.3 | -177.2 | 176.1 | -76.3 | -165.1 | -11.4 | 113.7 | D714 R786 N787 N792 V798 | D714-R790 PolarHBondContact O-NH1 3.31Å; R786-R790 WeakPolarHBondContact O-CB 3.42Å; R786-R790 PolarHBondContact O-N 2.96Å; N787-R790 PolarHBondContact O-N 2.78Å; R790-N792 VanDerWaalsContact C-N 3.33Å; R790-V798 WeakPolarHBondContact O-CG2 3.47Å |
| 791 | S | 81.5 | Confident | 80.8 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -70.7 | -28.1 | 176.2 | -66.8 | 0 | 0 | 0 | 0 | 113.6 | C690 N787 Q788 Q789 | C690-S791 PolarHBondContact SG-OG 3.49Å; N787-S791 PolarHBondContact O-N 3.18Å; N787-S791 PolarHBondContact O-OG 3.22Å; Q788-S791 PolarHBondContact O-N 3.03Å; Q789-S791 VanDerWaalsContact C-N 3.31Å; Q789-S791 PolarHBondContact O-N 3.36Å |
| 792 | N | 76.8 | Confident | 79.3 | Confident | 74 Ų | 74 | 49.9 Ų | 49.9 | 40% | 0.396 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -95.7 | -19.9 | -178.8 | -75.3 | -33.2 | 0 | 0 | 0 | 114.4 | N426 Q788 Q789 R790 | N426-N792 PolarHBondContact ND2-OD1 3.41Å; N426-N792 PolarHBondContact OD1-ND2 3.07Å; N426-N792 PolarHBondContact OD1-OD1 3.21Å; Q788-N792 PolarHBondContact O-N 2.92Å; Q788-N792 PolarHBondContact O-ND2 3.45Å; Q789-N792 PolarHBondContact O-N 2.84Å; Q789-N792 VanDerWaalsContact O-N 3.14Å; R790-N792 VanDerWaalsContact C-N 3.33Å |
| 793 | A | 75 | Confident | 78 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -54 | 147.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q789 E797 V798 L801 | Q789-A793 PolarHBondContact O-N 3.03Å; A793-E797 VanDerWaalsContact CA-OE2 3.27Å; A793-E797 WeakPolarHBondContact CA-OE2 3.38Å; A793-E797 HydrophobicContact CB-CB 3.86Å; A793-V798 HydrophobicContact CB-CG2 3.73Å; A793-L801 HydrophobicContact CB-CD1 4.17Å |
| 794 | D | 69.5 | Low | 76.2 | Confident | 75 Ų | 75 | 57.3 Ų | 57.3 | 40% | 0.401 | 30% | 0.298 | S | S | . | . | trans | -71.6 | 164.4 | 174.8 | 82.2 | 40.2 | 0 | 0 | 0 | 111.5 | L796 E797 V798 | D794-L796 PolarHBondContact O-N 2.91Å; D794-L796 WeakPolarHBondContact OD1-CA 3.3Å; D794-L796 VanDerWaalsContact OD1-CB 3.3Å; D794-L796 WeakPolarHBondContact OD1-CB 3.32Å; D794-L796 PolarHBondContact OD1-N 3.27Å; D794-E797 PolarHBondContact N-OE2 3.27Å; D794-E797 PolarHBondContact O-N 3.05Å; D794-E797 PolarHBondContact OD1-N 3.12Å; D794-V798 WeakPolarHBondContact O-CG2 3.32Å; D794-V798 PolarHBondContact O-N 3.21Å | ||
| 795 | P | 69.4 | Low | 74.1 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.4 | -30.5 | -177.3 | -26.5 | 36.1 | 0 | 0 | 0 | 114.9 | M799 | P795-M799 WeakPolarHBondContact O-CB 3.38Å; P795-M799 PolarHBondContact O-N 2.94Å |
| 796 | L | 73.9 | Confident | 72 | Confident | 106 Ų | 106 | 67.4 Ų | 67.4 | 56% | 0.555 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -77.4 | -41.3 | 177.4 | 177.2 | 64.1 | 0 | 0 | 0 | 110.7 | D794 M799 L800 | D794-L796 PolarHBondContact O-N 2.91Å; D794-L796 WeakPolarHBondContact OD1-CA 3.3Å; D794-L796 VanDerWaalsContact OD1-CB 3.3Å; D794-L796 WeakPolarHBondContact OD1-CB 3.32Å; D794-L796 PolarHBondContact OD1-N 3.27Å; L796-M799 HydrophobicContact CD1-SD 4.41Å; L796-M799 WeakPolarHBondContact O-CB 3.18Å; L796-M799 PolarHBondContact O-N 2.95Å; L796-L800 HydrophobicContact CD1-CD1 4.04Å; L796-L800 HydrophobicContact CD1-CG 4.44Å; L796-L800 HydrophobicContact CG-CD1 3.96Å; L796-L800 WeakPolarHBondContact O-CB 3.33Å; L796-L800 VanDerWaalsContact O-CG 3.3Å; L796-L800 WeakPolarHBondContact O-CG 3.49Å; L796-L800 PolarHBondContact O-N 3.4Å |
| 797 | E | 72.8 | Confident | 69.8 | Low | 75 Ų | 75 | 66.8 Ų | 66.8 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 170.5 | -71.7 | -177 | 146.4 | 0 | 0 | 111.6 | A793 D794 L800 L801 F807 | A793-E797 VanDerWaalsContact CA-OE2 3.27Å; A793-E797 WeakPolarHBondContact CA-OE2 3.38Å; A793-E797 HydrophobicContact CB-CB 3.86Å; D794-E797 PolarHBondContact N-OE2 3.27Å; D794-E797 PolarHBondContact O-N 3.05Å; D794-E797 PolarHBondContact OD1-N 3.12Å; E797-L800 PolarHBondContact O-N 2.87Å; E797-L801 VanDerWaalsContact O-CB 3.3Å; E797-L801 WeakPolarHBondContact O-CB 3.38Å; E797-L801 WeakPolarHBondContact O-CG 3.18Å; E797-L801 PolarHBondContact O-N 3.05Å; E797-F807 HydrophobicContact CB-CE2 4.22Å; E797-F807 HydrophobicContact CG-CE2 4.13Å; E797-F807 HydrophobicContact CG-CZ 4.11Å |
| 798 | V | 66.1 | Low | 67 | Low | 15 Ų | 15 | 76.9 Ų | 76.9 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | I693 R790 A793 D794 L800 L801 N802 | I693-V798 HydrophobicContact CG1-CG1 4.12Å; R790-V798 WeakPolarHBondContact O-CG2 3.47Å; A793-V798 HydrophobicContact CB-CG2 3.73Å; D794-V798 WeakPolarHBondContact O-CG2 3.32Å; D794-V798 PolarHBondContact O-N 3.21Å; V798-L800 VanDerWaalsContact C-N 3.35Å; V798-L800 PolarHBondContact O-N 2.92Å; V798-L801 PolarHBondContact O-N 2.9Å; V798-N802 WeakPolarHBondContact O-CB 3.47Å; V798-N802 PolarHBondContact O-N 3.13Å; V798-N802 PolarHBondContact O-ND2 2.82Å; V798-N802 VanDerWaalsContact O-ND2 3.13Å |
| 799 | M | 69.1 | Low | 64.4 | Low | 82 Ų | 82 | 80 Ų | 80 | 40% | 0.404 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57 | -46.9 | 174 | 176 | -177.3 | 171.6 | 0 | 0 | 111.5 | P795 L796 N802 M803 | P795-M799 WeakPolarHBondContact O-CB 3.38Å; P795-M799 PolarHBondContact O-N 2.94Å; L796-M799 HydrophobicContact CD1-SD 4.41Å; L796-M799 WeakPolarHBondContact O-CB 3.18Å; L796-M799 PolarHBondContact O-N 2.95Å; M799-N802 PolarHBondContact O-N 3.35Å; M799-M803 HydrophobicContact CE-CE 3.42Å; M799-M803 VanDerWaalsContact CE-CE 3.42Å; M799-M803 HydrophobicContact CE-SD 4.12Å; M799-M803 HydrophobicContact CG-CE 4.12Å; M799-M803 HydrophobicContact CG-SD 4.3Å; M799-M803 WeakPolarHBondContact O-CG 3.37Å; M799-M803 PolarHBondContact O-N 3.3Å |
| 800 | L | 71.9 | Confident | 62 | Low | 40 Ų | 40 | 81.7 Ų | 81.7 | 21% | 0.209 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -68.6 | -40.1 | -179.7 | -74.7 | 165.9 | 0 | 0 | 0 | 112.3 | L796 E797 V798 N802 M803 G804 Y805 F807 | L796-L800 HydrophobicContact CD1-CD1 4.04Å; L796-L800 HydrophobicContact CD1-CG 4.44Å; L796-L800 HydrophobicContact CG-CD1 3.96Å; L796-L800 WeakPolarHBondContact O-CB 3.33Å; L796-L800 VanDerWaalsContact O-CG 3.3Å; L796-L800 WeakPolarHBondContact O-CG 3.49Å; L796-L800 PolarHBondContact O-N 3.4Å; E797-L800 PolarHBondContact O-N 2.87Å; V798-L800 VanDerWaalsContact C-N 3.35Å; V798-L800 PolarHBondContact O-N 2.92Å; L800-N802 VanDerWaalsContact C-N 3.28Å; L800-N802 PolarHBondContact O-N 3.21Å; L800-M803 CarbonylContact O-C 3.47Å; L800-M803 PolarHBondContact O-N 3.3Å; L800-G804 PolarHBondContact O-N 3.22Å; L800-G804 VanDerWaalsContact O-N 3.14Å; L800-Y805 HydrophobicContact CD2-CD2 3.59Å; L800-Y805 HydrophobicContact CD2-CE2 4Å; L800-Y805 HydrophobicContact CD2-CG 3.96Å; L800-Y805 WeakPolarHBondContact O-CB 3.48Å; L800-Y805 PolarHBondContact O-N 2.94Å; L800-F807 HydrophobicContact CB-CE2 3.83Å; L800-F807 HydrophobicContact CB-CZ 3.85Å; L800-F807 HydrophobicContact CD1-CE1 4.21Å; L800-F807 HydrophobicContact CD1-CE2 4.34Å; L800-F807 HydrophobicContact CD1-CZ 3.49Å; L800-F807 VanDerWaalsContact CD1-CZ 3.49Å; L800-F807 HydrophobicContact CG-CZ 4.3Å |
| 801 | L | 67.6 | Low | 59.3 | Low | 53 Ų | 53 | 87.7 Ų | 87.7 | 28% | 0.277 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.9 | -34.6 | 171.8 | -74.1 | 169.1 | 0 | 0 | 0 | 112.2 | A793 E797 V798 G804 | A793-L801 HydrophobicContact CB-CD1 4.17Å; E797-L801 VanDerWaalsContact O-CB 3.3Å; E797-L801 WeakPolarHBondContact O-CB 3.38Å; E797-L801 WeakPolarHBondContact O-CG 3.18Å; E797-L801 PolarHBondContact O-N 3.05Å; V798-L801 PolarHBondContact O-N 2.9Å; L801-G804 PolarHBondContact O-N 2.76Å |
| 802 | N | 60.9 | Low | 56.9 | Low | 71 Ų | 71 | 95.4 Ų | 95.4 | 38% | 0.38 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.6 | -30.8 | 175.2 | -67.7 | -23.6 | 0 | 0 | 0 | 112.3 | I693 V798 M799 L800 G804 | I693-N802 WeakPolarHBondContact CD1-ND2 3.27Å; V798-N802 WeakPolarHBondContact O-CB 3.47Å; V798-N802 PolarHBondContact O-N 3.13Å; V798-N802 PolarHBondContact O-ND2 2.82Å; V798-N802 VanDerWaalsContact O-ND2 3.13Å; M799-N802 PolarHBondContact O-N 3.35Å; L800-N802 VanDerWaalsContact C-N 3.28Å; L800-N802 PolarHBondContact O-N 3.21Å; N802-G804 PolarHBondContact O-N 3.29Å |
| 803 | M | 63.7 | Low | 54.6 | Low | 119 Ų | 119 | 99.5 Ų | 99.5 | 59% | 0.586 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 2.1 | 170 | -70.4 | -179.5 | 173.5 | 0 | 0 | 113.6 | M799 L800 Y805 | M799-M803 HydrophobicContact CE-CE 3.42Å; M799-M803 VanDerWaalsContact CE-CE 3.42Å; M799-M803 HydrophobicContact CE-SD 4.12Å; M799-M803 HydrophobicContact CG-CE 4.12Å; M799-M803 HydrophobicContact CG-SD 4.3Å; M799-M803 WeakPolarHBondContact O-CG 3.37Å; M799-M803 PolarHBondContact O-N 3.3Å; L800-M803 CarbonylContact O-C 3.47Å; L800-M803 PolarHBondContact O-N 3.3Å; M803-Y805 HydrophobicContact CB-CD2 3.8Å; M803-Y805 HydrophobicContact CB-CE2 4.02Å |
| 804 | G | 55.2 | Low | 52.4 | Low | 55 Ų | 55 | 104.4 Ų | 104.4 | 57% | 0.567 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.2 | 10.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L800 L801 N802 N806 | L800-G804 PolarHBondContact O-N 3.22Å; L800-G804 VanDerWaalsContact O-N 3.14Å; L801-G804 PolarHBondContact O-N 2.76Å; N802-G804 PolarHBondContact O-N 3.29Å; G804-N806 PolarHBondContact O-N 2.76Å |
| 805 | Y | 49.5 | Very low | 50.4 | Low | 144 Ų | 144 | 106.3 Ų | 106.3 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | trans | -74.9 | 113.5 | 173.6 | -72.2 | -91.2 | 0 | 0 | 0 | 110.7 | L800 M803 | L800-Y805 HydrophobicContact CD2-CD2 3.59Å; L800-Y805 HydrophobicContact CD2-CE2 4Å; L800-Y805 HydrophobicContact CD2-CG 3.96Å; L800-Y805 WeakPolarHBondContact O-CB 3.48Å; L800-Y805 PolarHBondContact O-N 2.94Å; M803-Y805 HydrophobicContact CB-CD2 3.8Å; M803-Y805 HydrophobicContact CB-CE2 4.02Å | ||
| 806 | N | 49 | Very low | 48.6 | Very low | 147 Ų | 147 | 111.5 Ų | 111.5 | 79% | 0.786 | 58% | 0.576 | S | S | * | * | trans | -87.5 | 110.7 | 168.7 | -71.5 | -43.4 | 0 | 0 | 0 | 110 | G804 R808 | G804-N806 PolarHBondContact O-N 2.76Å; N806-R808 PolarHBondContact O-N 3.23Å | ||
| 807 | F | 43.7 | Very low | 46.7 | Very low | 112 Ų | 112 | 111 Ų | 111 | 49% | 0.491 | 59% | 0.587 | S | S | . | * | trans | -67.3 | 127 | 174.2 | -69.3 | -87.9 | 0 | 0 | 0 | 111.6 | E797 L800 | E797-F807 HydrophobicContact CB-CE2 4.22Å; E797-F807 HydrophobicContact CG-CE2 4.13Å; E797-F807 HydrophobicContact CG-CZ 4.11Å; L800-F807 HydrophobicContact CB-CE2 3.83Å; L800-F807 HydrophobicContact CB-CZ 3.85Å; L800-F807 HydrophobicContact CD1-CE1 4.21Å; L800-F807 HydrophobicContact CD1-CE2 4.34Å; L800-F807 HydrophobicContact CD1-CZ 3.49Å; L800-F807 VanDerWaalsContact CD1-CZ 3.49Å; L800-F807 HydrophobicContact CG-CZ 4.3Å | ||
| 808 | R | 33.1 | Very low | 44.5 | Very low | 217 Ų | 217 | 118.2 Ų | 118.2 | 82% | 0.819 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 110 | 165.7 | -79.6 | 179.6 | 163.2 | -130.7 | -7.4 | 108.7 | N806 | N806-R808 PolarHBondContact O-N 3.23Š|
| 809 | G | 35.5 | Very low | 42.8 | Very low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169 | -19.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 810 | L | 34.4 | Very low | 41.1 | Very low | 142 Ų | 142 | 122.6 Ų | 122.6 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -98.3 | 126.5 | 164.7 | -62.1 | 171.6 | 0 | 0 | 0 | 108.1 | F812 | L810-F812 PolarHBondContact O-N 2.77Š|
| 811 | D | 27.3 | Very low | 39 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 93% | 0.93 | 69% | 0.694 | S | S | * | * | trans | -67 | 90.5 | -173.5 | -81.6 | -41.6 | 0 | 0 | 0 | 112.5 | ||||
| 812 | F | 30.5 | Very low | 37.2 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | trans | -80.4 | 123.7 | 152.8 | -89.9 | -85.5 | 0 | 0 | 0 | 109.4 | L810 S814 | L810-F812 PolarHBondContact O-N 2.77Å; F812-S814 PolarHBondContact O-N 2.83Å | ||
| 813 | D | 28.2 | Very low | 35.6 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | trans | -42.7 | 105.6 | 177.8 | -116 | -40.4 | 0 | 0 | 0 | 111.9 | N815 | D813-N815 PolarHBondContact O-N 2.74Š| ||
| 814 | S | 28.9 | Very low | 33.8 | Very low | 112 Ų | 112 | 142.5 Ų | 142.5 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -79.5 | 84.8 | -168.9 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | F812 | F812-S814 PolarHBondContact O-N 2.83Š| ||
| 815 | N | 28.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 146 Ų | 146 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | trans | -132.2 | 46.5 | 173.9 | -107.9 | -64.3 | 0 | 0 | 0 | 114.5 | D813 R992 | D813-N815 PolarHBondContact O-N 2.74Å; N815-R992 PolarHBondContact OD1-NH1 2.93Å | ||
| 816 | R | 30.5 | Very low | 31.6 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 62% | 0.623 | 76% | 0.764 | S | S | * | * | trans | -165.1 | 118.3 | 134 | -106.3 | 155 | -175 | 172.1 | 2.4 | 112.2 | H990 | R816-H990 PolarHBondContact NH1-O 2.99Å; R816-H990 VanDerWaalsContact NH2-CB 3.31Å; R816-H990 PolarHBondContact NH2-CD2 2.93Å | ||
| 817 | A | 33.3 | Very low | 30.5 | Very low | 96 Ų | 96 | 146.8 Ų | 146.8 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | trans | -85.6 | 154.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 818 | R | 28 | Very low | 29.9 | Very low | 226 Ų | 226 | 150.7 Ų | 150.7 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -10.2 | 128.2 | 160.7 | -69.4 | 170.5 | 163.6 | 152.8 | -6.9 | 117.1 | ||||
| 819 | G | 30.3 | Very low | 29.7 | Very low | 75 Ų | 75 | 151 Ų | 151 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -169.6 | 119.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 820 | S | 32.1 | Very low | 29.4 | Very low | 114 Ų | 114 | 154.1 Ų | 154.1 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 40.9 | 113.9 | 170.8 | -140.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 821 | R | 28.4 | Very low | 29.2 | Very low | 228 Ų | 228 | 153.3 Ų | 153.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | 48.1 | 129.3 | 68.1 | -81.9 | -171.7 | 173.7 | 168.4 | -2 | 115.7 | |||||
| 822 | N | 30 | Very low | 29.6 | Very low | 140 Ų | 140 | 154.9 Ų | 154.9 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | 88.7 | 111.2 | 165 | -65.5 | -3.1 | 0 | 0 | 0 | 119.4 | ||||
| 823 | R | 27 | Very low | 29.8 | Very low | 208 Ų | 208 | 154.2 Ų | 154.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 73.2 | 127.6 | 125.8 | -79.9 | -172.4 | -175.2 | 174.2 | 0 | 121.8 | |||||
| 824 | D | 26 | Very low | 30.1 | Very low | 126 Ų | 126 | 154 Ų | 154 | 67% | 0.674 | 78% | 0.777 | S | S | * | * | trans | 71.5 | 172.7 | 139.3 | -45.5 | -20.8 | 0 | 0 | 0 | 118.4 | ||||
| 825 | C | 28.3 | Very low | 30.4 | Very low | 127 Ų | 127 | 155.3 Ų | 155.3 | 86% | 0.858 | 78% | 0.776 | S | S | * | * | trans | 89.7 | 90.9 | -155.2 | -58 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 826 | I | 29.8 | Very low | 30.8 | Very low | 155 Ų | 155 | 158.5 Ų | 158.5 | 80% | 0.795 | 79% | 0.787 | S | S | * | * | cis | 62.1 | 127.5 | 40.9 | -55.6 | 180 | 0 | 0 | 0 | 112.5 | ||||
| 827 | D | 26.3 | Very low | 31.1 | Very low | 153 Ų | 153 | 155.8 Ų | 155.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -58.7 | 137.8 | 176.3 | -63.4 | -70.7 | 0 | 0 | 0 | 112.4 | ||||
| 828 | E | 32.2 | Very low | 31.3 | Very low | 195 Ų | 195 | 155.4 Ų | 155.4 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -128.3 | 115.2 | 153.1 | -74 | -165.8 | 154.6 | 0 | 0 | 110.5 | ||||
| 829 | R | 28.2 | Very low | 32 | Very low | 223 Ų | 223 | 150.9 Ų | 150.9 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | trans | -85 | 152.2 | 163.8 | -77.5 | -178.8 | 174.9 | 175 | -2.3 | 109.1 | ||||
| 830 | N | 28.6 | Very low | 32.6 | Very low | 138 Ų | 138 | 153.8 Ų | 153.8 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | 67.1 | 125.1 | 159.6 | -49.3 | -16.1 | 0 | 0 | 0 | 116.6 | ||||
| 831 | N | 31.7 | Very low | 33.3 | Very low | 124 Ų | 124 | 155.4 Ų | 155.4 | 66% | 0.663 | 78% | 0.776 | S | S | * | * | 178.8 | 113.7 | 103.9 | -88.8 | -1.3 | 0 | 0 | 0 | 109.9 | |||||
| 832 | E | 33.7 | Very low | 34.1 | Very low | 207 Ų | 207 | 151.3 Ų | 151.3 | 97% | 0.967 | 77% | 0.771 | S | S | * | * | trans | -119.2 | 84.3 | 152.5 | -74.5 | -170.6 | 169.5 | 0 | 0 | 106.7 | ||||
| 833 | E | 35 | Very low | 34.6 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -74.7 | 157.1 | 153 | -64.5 | 170 | 146.9 | 0 | 0 | 106.3 | ||||
| 834 | E | 35.2 | Very low | 35.1 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | cis | -174.6 | 170.9 | 41.6 | -157.7 | 171.6 | -135 | 0 | 0 | 109.7 | ||||
| 835 | N | 35 | Very low | 35.9 | Very low | 141 Ų | 141 | 147.5 Ų | 147.5 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | 83.2 | 136.2 | 171.6 | -45.1 | -73.2 | 0 | 0 | 0 | 115.8 | ||||
| 836 | E | 36.5 | Very low | 36.3 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | cis | -137.3 | 158.4 | 17.4 | -68.6 | 177.5 | 146.7 | 0 | 0 | 113.5 | ||||
| 837 | S | 37.6 | Very low | 36.6 | Very low | 108 Ų | 108 | 145.8 Ų | 145.8 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -11.7 | 158 | 155.2 | 54.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 838 | S | 37.9 | Very low | 37.2 | Very low | 89 Ų | 89 | 144.7 Ų | 144.7 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | cis | -174 | 154.2 | -6.3 | 52.5 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 839 | D | 41.6 | Very low | 37.4 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | 162.7 | 169.8 | 73.9 | -91.2 | -46.9 | 0 | 0 | 0 | 106.3 | |||||
| 840 | D | 44.3 | Very low | 37.8 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | 67 | 103.7 | 154.8 | -54.4 | -15.8 | 0 | 0 | 0 | 122.4 | ||||
| 841 | D | 46.9 | Very low | 38.3 | Very low | 149 Ų | 149 | 144.8 Ų | 144.8 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | 88.3 | 141.2 | 117.1 | -63.1 | -15.8 | 0 | 0 | 0 | 126.1 | |||||
| 842 | D | 43.1 | Very low | 38.4 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 76% | 0.758 | S | S | * | * | trans | 67.2 | 100.7 | 156.6 | -86.3 | -0.3 | 0 | 0 | 0 | 122.9 | ||||
| 843 | D | 42.5 | Very low | 38.4 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | 44.8 | 130.2 | 108.7 | -80.6 | 6.3 | 0 | 0 | 0 | 121.3 | |||||
| 844 | G | 37.5 | Very low | 38.4 | Very low | 66 Ų | 66 | 143.7 Ų | 143.7 | 68% | 0.68 | 75% | 0.749 | S | S | * | * | trans | 152.6 | 95.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 845 | H | 41.3 | Very low | 38.4 | Very low | 168 Ų | 168 | 145.1 Ų | 145.1 | 78% | 0.778 | 75% | 0.748 | S | S | * | * | trans | 51.4 | 110.8 | 136.8 | -66.7 | -46.5 | 0 | 0 | 0 | 120 | ||||
| 846 | N | 37.9 | Very low | 38.3 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | 98.8 | 127.5 | 69.8 | -88.7 | 0.2 | 0 | 0 | 0 | 114.3 | |||||
| 847 | N | 36.4 | Very low | 37.9 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | trans | 81.2 | 111.7 | 140.2 | -60.5 | 13.8 | 0 | 0 | 0 | 121.2 | ||||
| 848 | D | 37 | Very low | 37.8 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | 63 | 122.6 | 124.2 | -46.2 | -27 | 0 | 0 | 0 | 121 | |||||
| 849 | R | 37.4 | Very low | 37.4 | Very low | 246 Ų | 246 | 143.7 Ų | 143.7 | 93% | 0.928 | 74% | 0.74 | S | S | * | * | -171.2 | 133.6 | 107.4 | -97.8 | 153.4 | -167.8 | -165 | 4 | 114 | |||||
| 850 | D | 36.4 | Very low | 37 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | -69.8 | 154.2 | 174.4 | -50.6 | -78.8 | 0 | 0 | 0 | 113.9 | ||||
| 851 | I | 39.7 | Very low | 36.4 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 87% | 0.872 | 74% | 0.742 | S | S | * | * | trans | -136.5 | 121.1 | 149.6 | -56.1 | -177.6 | 0 | 0 | 0 | 109 | ||||
| 852 | N | 32.7 | Very low | 35.8 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | trans | -87.3 | 159.3 | -177.3 | -74.2 | -62.4 | 0 | 0 | 0 | 113.9 | ||||
| 853 | F | 34.9 | Very low | 35.4 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -169.8 | 108.8 | 134.9 | -93.4 | -70 | 0 | 0 | 0 | 106.4 | ||||
| 854 | E | 34.7 | Very low | 35 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | 43.2 | 138.9 | 81.1 | -68.4 | -152.6 | 173.1 | 0 | 0 | 113.8 | |||||
| 855 | R | 34.4 | Very low | 34.7 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | cis | -170 | 171.8 | 7.4 | -121.7 | -174.3 | 165.3 | 100.7 | 19.5 | 108.3 | ||||
| 856 | D | 33.6 | Very low | 34.3 | Very low | 119 Ų | 119 | 138.5 Ų | 138.5 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | cis | -154.2 | -163.6 | -8.1 | -150.2 | -37 | 0 | 0 | 0 | 108.5 | ||||
| 857 | S | 29.1 | Very low | 34 | Very low | 84 Ų | 84 | 140 Ų | 140 | 59% | 0.587 | 73% | 0.73 | S | S | * | * | trans | -137.8 | 176.1 | 174.7 | 58.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 858 | H | 34.4 | Very low | 33.8 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 82% | 0.815 | 73% | 0.73 | S | S | * | * | trans | 127.3 | 154.5 | 153.9 | -68.5 | -68.6 | 0 | 0 | 0 | 119.8 | ||||
| 859 | S | 29.8 | Very low | 33.7 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | trans | -115.4 | 164.7 | -168.3 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 860 | A | 32.8 | Very low | 33.6 | Very low | 82 Ų | 82 | 134 Ų | 134 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | 179.1 | 128.7 | 145 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 861 | L | 32.6 | Very low | 33.4 | Very low | 150 Ų | 150 | 134 Ų | 134 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | 59.1 | 150.9 | 128.8 | -52.9 | 171 | 0 | 0 | 0 | 119.9 | |||||
| 862 | Q | 33.8 | Very low | 33.2 | Very low | 140 Ų | 140 | 131 Ų | 131 | 65% | 0.654 | 71% | 0.709 | S | S | * | * | cis | -165.5 | 173.6 | 6.1 | -131.8 | 164.7 | 13.7 | 0 | 0 | 112.5 | ||||
| 863 | H | 35.6 | Very low | 33.1 | Very low | 165 Ų | 165 | 131 Ų | 131 | 76% | 0.764 | 71% | 0.709 | S | S | * | * | trans | 77.7 | 143.3 | 166.1 | -58.1 | -68.7 | 0 | 0 | 0 | 120.1 | ||||
| 864 | S | 33.3 | Very low | 33.1 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | cis | -177.1 | 137.1 | -30.1 | 47.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 865 | G | 31.2 | Very low | 33 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | trans | 74.5 | 155.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 866 | N | 32.4 | Very low | 32.7 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 68% | 0.684 | 71% | 0.713 | S | S | * | * | cis | -160.6 | 145.7 | -6.8 | -117.5 | 29.4 | 0 | 0 | 0 | 108.4 | ||||
| 867 | E | 31.5 | Very low | 32.6 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | 59.4 | 143.7 | 138.9 | -63.3 | 166.9 | 164.4 | 0 | 0 | 119.1 | ||||
| 868 | T | 32.5 | Very low | 32.5 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | cis | -175.1 | 159.1 | 12.4 | 9.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 869 | H | 34.8 | Very low | 32.4 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | trans | 63.7 | 150.3 | 149.8 | -62 | -40.1 | 0 | 0 | 0 | 119.1 | ||||
| 870 | T | 35 | Very low | 32.3 | Very low | 104 Ų | 104 | 131 Ų | 131 | 64% | 0.638 | 73% | 0.732 | S | S | * | * | cis | -169.2 | 152.5 | -6.7 | 20.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 871 | N | 32.6 | Very low | 32.3 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | 39.4 | 148.8 | 132.6 | -58.2 | -9.7 | 0 | 0 | 0 | 121.2 | ||||
| 872 | T | 34.7 | Very low | 32 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | cis | -166.5 | 148.7 | 17.3 | -3.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 873 | N | 31.4 | Very low | 31.9 | Very low | 129 Ų | 129 | 132 Ų | 132 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | trans | 10.3 | 142 | 138.7 | -53.7 | -18.5 | 0 | 0 | 0 | 121.4 | ||||
| 874 | H | 35.3 | Very low | 31.6 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 78% | 0.782 | 73% | 0.733 | S | S | * | * | 157 | 143.8 | 113.6 | -87.4 | -70.5 | 0 | 0 | 0 | 110.2 | |||||
| 875 | S | 32 | Very low | 31.2 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | cis | 172.4 | 143 | -26 | 44.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 876 | A | 28.4 | Very low | 31.1 | Very low | 95 Ų | 95 | 137.1 Ų | 137.1 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -69.1 | 158.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 877 | R | 31 | Very low | 30.8 | Very low | 238 Ų | 238 | 136.6 Ų | 136.6 | 90% | 0.898 | 75% | 0.745 | S | S | * | * | trans | 168.4 | 111.1 | 138.7 | -92.6 | 160.8 | -177.6 | -171.3 | 0.8 | 109.5 | ||||
| 878 | S | 27.3 | Very low | 30.7 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | 61.2 | 113.3 | 85.8 | 75.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 879 | L | 32.9 | Very low | 30.3 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | trans | -173.2 | 139.1 | 135.5 | -104.6 | 154.7 | 0 | 0 | 0 | 111.4 | ||||
| 880 | D | 27.5 | Very low | 30 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -75.5 | 152.1 | 178.7 | -50.5 | -82.2 | 0 | 0 | 0 | 112.6 | ||||
| 881 | N | 31.8 | Very low | 29.6 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | 168.2 | 116.3 | 111.8 | -88.7 | -61.3 | 0 | 0 | 0 | 113.5 | |||||
| 882 | T | 27.4 | Very low | 29.4 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | 33 | 110.9 | 122 | -5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 883 | L | 31.1 | Very low | 29 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | 167.4 | 148.4 | 99.8 | -87.1 | 162.6 | 0 | 0 | 0 | 114.8 | |||||
| 884 | H | 29.9 | Very low | 28.8 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 75% | 0.745 | 74% | 0.738 | S | S | * | * | trans | 60.7 | 110.3 | 152.2 | -76 | -55.1 | 0 | 0 | 0 | 123.6 | ||||
| 885 | S | 25.4 | Very low | 28.4 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | 49.4 | 111.2 | 131.7 | 61.7 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 886 | E | 28.7 | Very low | 28.4 | Very low | 186 Ų | 186 | 134.5 Ų | 134.5 | 87% | 0.869 | 74% | 0.735 | S | S | * | * | -161.8 | 168.6 | 108.3 | -108.7 | -177.5 | 178.2 | 0 | 0 | 111.6 | |||||
| 887 | S | 25.4 | Very low | 28.4 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -75.4 | 125 | -167.2 | 54.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 888 | I | 29.6 | Very low | 28.3 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | -128.6 | 109.7 | 165.2 | -62.4 | -179 | 0 | 0 | 0 | 110.3 | ||||
| 889 | L | 24.5 | Very low | 28.6 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | trans | -61.2 | 133.4 | 158.5 | -125.6 | 80.1 | 0 | 0 | 0 | 108.5 | ||||
| 890 | N | 28.5 | Very low | 28.3 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 68% | 0.679 | 73% | 0.731 | S | S | * | * | trans | -165.1 | 120.8 | 155.4 | -97 | -29.7 | 0 | 0 | 0 | 113.7 | ||||
| 891 | N | 27.2 | Very low | 28.4 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 50% | 0.497 | 74% | 0.735 | S | S | . | * | trans | 35.4 | 106.8 | 140.2 | -53 | -15.8 | 0 | 0 | 0 | 119.5 | S240 | S240-N891 PolarHBondContact OG-OD1 3.18Š| ||
| 892 | V | 27.4 | Very low | 28.3 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -107.6 | 79.9 | 147.5 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 893 | N | 27.2 | Very low | 28.4 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 62% | 0.615 | 74% | 0.737 | S | S | * | * | trans | -75 | 127.5 | 156.8 | -80.8 | -23.1 | 0 | 0 | 0 | 106.9 | V895 | N893-V895 HydrophobicContact CB-CG2 4.11Å; N893-V895 PolarHBondContact O-N 3.13Å | ||
| 894 | L | 27.2 | Very low | 28.4 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 67% | 0.665 | 75% | 0.745 | S | S | * | * | trans | -72.4 | 78.9 | 162.8 | -95.6 | 158.4 | 0 | 0 | 0 | 108.8 | N896 | L894-N896 PolarHBondContact O-N 3.42Š| ||
| 895 | V | 26.8 | Very low | 28.2 | Very low | 100 Ų | 100 | 133.5 Ų | 133.5 | 61% | 0.606 | 75% | 0.749 | S | S | * | * | trans | -70.2 | 106.5 | 160.6 | 178.5 | 0 | 0 | 0 | 0 | 106.2 | N893 | N893-V895 HydrophobicContact CB-CG2 4.11Å; N893-V895 PolarHBondContact O-N 3.13Å | ||
| 896 | N | 30.3 | Very low | 28.4 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 129.4 | 153.7 | -94.4 | 1 | 0 | 0 | 0 | 107.1 | L894 | L894-N896 PolarHBondContact O-N 3.42Š|
| 897 | E | 30.1 | Very low | 28.4 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 146.7 | -155 | -62 | 171.6 | 130.6 | 0 | 0 | 113.6 | I899 | E897-I899 PolarHBondContact O-N 2.86Š|
| 898 | N | 29.1 | Very low | 28.8 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 126.9 | 164.8 | -66.1 | -39.1 | 0 | 0 | 0 | 109.3 | ||
| 899 | I | 31.9 | Very low | 28.8 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -96.3 | 95.1 | 156.8 | -61.3 | 179.8 | 0 | 0 | 0 | 107.3 | E897 A901 | E897-I899 PolarHBondContact O-N 2.86Å; I899-A901 PolarHBondContact O-N 3.49Å | ||
| 900 | E | 28.1 | Very low | 29.1 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -72.9 | 110.3 | 164.5 | -69.6 | -172.9 | 151.2 | 0 | 0 | 109.3 | ||||
| 901 | A | 29.8 | Very low | 29.1 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -92.1 | 94.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | I899 | I899-A901 PolarHBondContact O-N 3.49Š| ||
| 902 | V | 28.9 | Very low | 29.4 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -79.5 | 129.1 | 177.3 | 173.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 903 | G | 29.1 | Very low | 29.5 | Very low | 65 Ų | 65 | 145 Ų | 145 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | trans | 91.2 | 108.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 904 | Q | 30.4 | Very low | 29.7 | Very low | 198 Ų | 198 | 149 Ų | 149 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | -168.4 | 131.3 | 89.3 | -96.7 | 174.5 | 5.6 | 0 | 0 | 110.7 | |||||
| 905 | T | 26.9 | Very low | 29.6 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 83% | 0.828 | 81% | 0.813 | S | S | * | * | trans | -77 | 132.8 | 166.4 | 47.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 906 | D | 29.9 | Very low | 29.8 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | trans | -141.8 | 145.8 | 151 | -137.4 | -23.1 | 0 | 0 | 0 | 112.2 | ||||
| 907 | S | 29 | Very low | 29.6 | Very low | 102 Ų | 102 | 150.9 Ų | 150.9 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | trans | -122.8 | 111.9 | -159 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 908 | Q | 33.5 | Very low | 29.7 | Very low | 199 Ų | 199 | 149.4 Ų | 149.4 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -130.8 | 119 | 162.5 | -73.2 | -156.4 | -1.9 | 0 | 0 | 113.9 | ||||
| 909 | K | 28.3 | Very low | 29.5 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -62 | 138.6 | 172.1 | -61.5 | 162.7 | 175.9 | 171.5 | 0 | 110.8 | ||||
| 910 | R | 30.5 | Very low | 29.4 | Very low | 254 Ų | 254 | 145.7 Ų | 145.7 | 96% | 0.958 | 82% | 0.817 | S | S | * | * | trans | -135.3 | 128.5 | 136.7 | -96.6 | -174.4 | 178.9 | 178.4 | 0.4 | 110.5 | ||||
| 911 | T | 29.7 | Very low | 29.4 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -95 | 149 | -177.2 | 45.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 912 | G | 33.4 | Very low | 29.5 | Very low | 66 Ų | 66 | 150.6 Ų | 150.6 | 68% | 0.68 | 83% | 0.828 | S | S | * | * | trans | 159.2 | 74.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 913 | N | 28.4 | Very low | 29.4 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | 43.8 | 95.5 | 93.5 | -74.2 | 10.4 | 0 | 0 | 0 | 112.8 | |||||
| 914 | E | 31.2 | Very low | 29.2 | Very low | 200 Ų | 200 | 151.1 Ų | 151.1 | 94% | 0.935 | 84% | 0.837 | S | S | * | * | -163.1 | 140.2 | 107.1 | -105.6 | 171.9 | -164.6 | 0 | 0 | 111.2 | |||||
| 915 | S | 26.7 | Very low | 29.1 | Very low | 113 Ų | 113 | 146.6 Ų | 146.6 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -111.9 | 123.1 | -174.6 | 53.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 916 | I | 31.4 | Very low | 29.3 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -135.4 | 103.2 | 158.3 | -57.2 | -177.2 | 0 | 0 | 0 | 108.7 | L918 | I916-L918 HydrophobicContact CG2-CB 4.28Å; I916-L918 HydrophobicContact CG2-CD1 3.65Å; I916-L918 HydrophobicContact CG2-CG 3.75Å | ||
| 917 | D | 26.1 | Very low | 29.2 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -96.6 | 121.6 | 161.8 | -173.1 | 8.9 | 0 | 0 | 0 | 106.9 | ||||
| 918 | L | 30.4 | Very low | 29.3 | Very low | 142 Ų | 142 | 148.7 Ų | 148.7 | 74% | 0.743 | 83% | 0.831 | S | S | * | * | trans | -141.2 | 82.1 | -179.8 | -87 | 177.7 | 0 | 0 | 0 | 111.4 | I916 C920 | I916-L918 HydrophobicContact CG2-CB 4.28Å; I916-L918 HydrophobicContact CG2-CD1 3.65Å; I916-L918 HydrophobicContact CG2-CG 3.75Å; L918-C920 PolarHBondContact O-N 3.33Å | ||
| 919 | S | 25.9 | Very low | 28.9 | Very low | 107 Ų | 107 | 148.2 Ų | 148.2 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | -64.3 | 122.1 | 151.9 | 60.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 920 | C | 29.5 | Very low | 29.2 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -139.5 | 128.1 | 162.6 | -99.8 | 0 | 0 | 0 | 0 | 111.2 | L918 | L918-C920 PolarHBondContact O-N 3.33Š| ||
| 921 | Q | 27.4 | Very low | 29.3 | Very low | 183 Ų | 183 | 144.6 Ų | 144.6 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | trans | -78.9 | -174.7 | 170.1 | -64.4 | 175 | -15.9 | 0 | 0 | 110.7 | ||||
| 922 | L | 32.3 | Very low | 29.1 | Very low | 183 Ų | 183 | 149.3 Ų | 149.3 | 96% | 0.958 | 82% | 0.823 | S | S | * | * | trans | 84.5 | 121 | -175.9 | -49.1 | 163.3 | 0 | 0 | 0 | 112.4 | ||||
| 923 | G | 26.5 | Very low | 29 | Very low | 78 Ų | 78 | 153.2 Ų | 153.2 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | cis | 127.7 | 92.7 | -0.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 924 | C | 26.8 | Very low | 29 | Very low | 128 Ų | 128 | 154.3 Ų | 154.3 | 87% | 0.865 | 83% | 0.83 | S | S | * | * | trans | -152.8 | 120.2 | 158.7 | -158.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 925 | S | 26.8 | Very low | 28.9 | Very low | 103 Ų | 103 | 151.5 Ų | 151.5 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | trans | -90.4 | 144.5 | 175.3 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 926 | Q | 32.6 | Very low | 29.1 | Very low | 195 Ų | 195 | 149.8 Ų | 149.8 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | trans | -155.4 | 116 | 146.5 | -116 | 168.1 | 68.1 | 0 | 0 | 112.4 | ||||
| 927 | T | 25.7 | Very low | 28.9 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 72% | 0.718 | 83% | 0.829 | S | S | * | * | trans | -100.8 | 155.7 | 171.2 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 928 | P | 32.1 | Very low | 29 | Very low | 134 Ų | 134 | 150.6 Ų | 150.6 | 87% | 0.87 | 83% | 0.832 | S | S | * | * | trans | -114.2 | 117.8 | 144.4 | 29.7 | -18.4 | 0 | 0 | 0 | 111.5 | ||||
| 929 | K | 26.1 | Very low | 29.1 | Very low | 190 Ų | 190 | 148.5 Ų | 148.5 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | -94.2 | 128 | 163.8 | -76 | 178.7 | 177.3 | 172.6 | 0 | 109.5 | ||||
| 930 | Q | 34.6 | Very low | 29.2 | Very low | 185 Ų | 185 | 150.8 Ų | 150.8 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | trans | -174.5 | 147.8 | 154 | -102.3 | -178 | 57.4 | 0 | 0 | 107.9 | ||||
| 931 | K | 31.1 | Very low | 29.4 | Very low | 189 Ų | 189 | 153.9 Ų | 153.9 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | cis | -157.5 | 150.6 | -25.9 | -138.3 | 178.8 | -173.1 | 175.4 | 0 | 106.6 | ||||
| 932 | R | 25.3 | Very low | 29.4 | Very low | 239 Ų | 239 | 153.6 Ų | 153.6 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | trans | -77.6 | 131.7 | -177.1 | -135.6 | 178 | 177.6 | 176.1 | -1.4 | 111.4 | ||||
| 933 | T | 32 | Very low | 29.4 | Very low | 147 Ų | 147 | 151.2 Ų | 151.2 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | trans | -139 | 159.9 | 154.4 | 34.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 934 | K | 28.3 | Very low | 29.6 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | trans | -118.5 | 161.3 | -160.6 | -108.2 | -177.4 | 177 | -176.1 | 0 | 111.7 | ||||
| 935 | T | 29.2 | Very low | 29.8 | Very low | 142 Ų | 142 | 157 Ų | 157 | 87% | 0.871 | 83% | 0.826 | S | S | * | * | trans | 65.7 | 128.6 | 151.3 | 48.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 936 | G | 31.1 | Very low | 29.9 | Very low | 77 Ų | 77 | 160.5 Ų | 160.5 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | 168.8 | 117.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 937 | N | 27.1 | Very low | 30 | Very low | 149 Ų | 149 | 157.2 Ų | 157.2 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -98.4 | 162.5 | -178.2 | -76.7 | -16.8 | 0 | 0 | 0 | 112.1 | ||||
| 938 | L | 29 | Very low | 30.2 | Very low | 171 Ų | 171 | 157.1 Ų | 157.1 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | trans | 69.2 | 146 | 164.3 | -61 | 133.5 | 0 | 0 | 0 | 114.3 | ||||
| 939 | S | 31.4 | Very low | 30.2 | Very low | 98 Ų | 98 | 155.7 Ų | 155.7 | 69% | 0.685 | 82% | 0.819 | S | S | * | * | cis | -152.7 | 163.6 | 6.8 | 44.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 940 | D | 29.3 | Very low | 30.2 | Very low | 154 Ų | 154 | 151.2 Ų | 151.2 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | 1.8 | 124.1 | 158.3 | -51.7 | -50.2 | 0 | 0 | 0 | 119.4 | ||||
| 941 | E | 32 | Very low | 30 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | -160.2 | 166 | 113.6 | -115.1 | -169.9 | 165.4 | 0 | 0 | 114.6 | |||||
| 942 | K | 28.9 | Very low | 29.9 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -80.2 | 149.3 | -163.5 | -58 | 147.3 | -179.2 | 162.3 | 0 | 113.4 | ||||
| 943 | T | 30.9 | Very low | 29.9 | Very low | 133 Ų | 133 | 139.9 Ų | 139.9 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | 177.2 | 136.5 | 122 | 24.9 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 944 | P | 32 | Very low | 29.8 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 133.6 | 172.6 | 34.6 | -29.9 | 0 | 0 | 0 | 111.9 | ||
| 945 | F | 31.1 | Very low | 29.6 | Very low | 208 Ų | 208 | 140.1 Ų | 140.1 | 91% | 0.912 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 122.7 | 169.7 | -100.1 | -95.6 | 0 | 0 | 0 | 110.8 | ||
| 946 | Q | 28.2 | Very low | 29.7 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 146.2 | 162.3 | -66.3 | -177.5 | -49.4 | 0 | 0 | 109.9 | ||
| 947 | P | 34.4 | Very low | 29.7 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 129.2 | 152.6 | 17 | -2.5 | 0 | 0 | 0 | 109.6 | ||
| 948 | S | 30.1 | Very low | 29.6 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 131.7 | -177.3 | 42.8 | 0 | 0 | 0 | 0 | 112.8 | ||
| 949 | V | 31.2 | Very low | 29.7 | Very low | 104 Ų | 104 | 138.2 Ų | 138.2 | 63% | 0.63 | 78% | 0.776 | S | S | * | * | trans | -87.5 | 112.3 | 162.5 | 175.3 | 0 | 0 | 0 | 0 | 108.1 | A951 | V949-A951 HydrophobicContact CG1-CB 4.46Å; V949-A951 PolarHBondContact O-N 3.33Å | ||
| 950 | A | 28.1 | Very low | 29.5 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -87.7 | 99.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 951 | A | 29 | Very low | 29.5 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | trans | -106.7 | 108.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | V949 I953 | V949-A951 HydrophobicContact CG1-CB 4.46Å; V949-A951 PolarHBondContact O-N 3.33Å; A951-I953 PolarHBondContact O-N 2.86Å | ||
| 952 | I | 28.8 | Very low | 29.7 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | -84.7 | 110.3 | 173.3 | -62.8 | 176.6 | 0 | 0 | 0 | 107.4 | F954 | I952-F954 HydrophobicContact CG2-CD2 3.69Å; I952-F954 HydrophobicContact CG2-CE2 4.21Å | ||
| 953 | I | 25.9 | Very low | 29.9 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | -95.3 | 127.7 | 161.8 | -61.7 | 172.6 | 0 | 0 | 0 | 106.1 | A951 | A951-I953 PolarHBondContact O-N 2.86Š| ||
| 954 | F | 29.6 | Very low | 30.1 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | -131.2 | 117.1 | 158.2 | -96.8 | -74.8 | 0 | 0 | 0 | 108.3 | I952 | I952-F954 HydrophobicContact CG2-CD2 3.69Å; I952-F954 HydrophobicContact CG2-CE2 4.21Å | ||
| 955 | D | 25.2 | Very low | 30.2 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | trans | -148.4 | 100 | 174.5 | -158.4 | 8.5 | 0 | 0 | 0 | 106 | ||||
| 956 | S | 31.2 | Very low | 30.4 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 62% | 0.622 | 75% | 0.745 | S | S | * | * | trans | -174 | 116.4 | 166.2 | 37.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 957 | D | 29.7 | Very low | 30.7 | Very low | 139 Ų | 139 | 124 Ų | 124 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | 70.7 | 109.1 | 128.3 | -55.8 | -27.5 | 0 | 0 | 0 | 123 | |||||
| 958 | L | 26.7 | Very low | 30.5 | Very low | 156 Ų | 156 | 123 Ų | 123 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | 56 | 107.3 | 120.5 | -64.1 | 161.3 | 0 | 0 | 0 | 119.9 | |||||
| 959 | S | 31.1 | Very low | 30.7 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | -171.9 | 149.3 | 119.1 | 25.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 960 | S | 27.2 | Very low | 30.6 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | trans | -32.6 | 158.7 | 155.2 | 44.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 961 | S | 29.4 | Very low | 30.9 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | cis | -169.3 | -165.8 | 2 | 44.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 962 | D | 34.2 | Very low | 30.8 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 94.8 | 100.8 | 160.8 | -47.2 | -9.3 | 0 | 0 | 0 | 114.6 | ||||
| 963 | E | 35.1 | Very low | 31 | Very low | 182 Ų | 182 | 136 Ų | 136 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | 98 | 140.4 | 87.8 | -84.3 | -165.3 | 168.4 | 0 | 0 | 111.2 | |||||
| 964 | S | 34 | Very low | 31.1 | Very low | 84 Ų | 84 | 137.6 Ų | 137.6 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | cis | -164.8 | 173.1 | -15.3 | 54.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 965 | D | 34.7 | Very low | 30.9 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 75.3 | 136.9 | 159.3 | -57.2 | -27.5 | 0 | 0 | 0 | 120.9 | ||||
| 966 | A | 35.5 | Very low | 31.1 | Very low | 78 Ų | 78 | 135.7 Ų | 135.7 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | cis | -160.3 | 151.3 | -7.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 967 | T | 33.3 | Very low | 30.9 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | 43.5 | 113.7 | 147 | 57 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 968 | S | 30.7 | Very low | 31 | Very low | 105 Ų | 105 | 144 Ų | 144 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | 90.8 | 129.6 | 52.6 | 73.1 | 0 | 0 | 0 | 0 | 116 | |||||
| 969 | V | 34.3 | Very low | 30.9 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | -172 | 140.7 | 129.4 | 144.9 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 970 | E | 29.6 | Very low | 30.6 | Very low | 163 Ų | 163 | 146.6 Ų | 146.6 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -85.7 | 162.1 | -172.6 | -51.6 | 167.1 | 115.7 | 0 | 0 | 113.9 | ||||
| 971 | K | 33.5 | Very low | 30.7 | Very low | 209 Ų | 209 | 152.6 Ų | 152.6 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | -159.8 | 125 | 129.9 | -109.5 | 158.5 | -169.5 | 174 | 0 | 113.3 | |||||
| 972 | N | 27.7 | Very low | 30.6 | Very low | 142 Ų | 142 | 158.3 Ų | 158.3 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | trans | -67.9 | 150.8 | 171.1 | -79.2 | -63.7 | 0 | 0 | 0 | 112.3 | ||||
| 973 | T | 33.4 | Very low | 30.5 | Very low | 153 Ų | 153 | 160.5 Ų | 160.5 | 94% | 0.939 | 81% | 0.808 | S | S | * | * | trans | -157.3 | 155.5 | 132.8 | 3.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 974 | Q | 27.2 | Very low | 30.3 | Very low | 181 Ų | 181 | 159 Ų | 159 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -136.7 | 146 | -158.7 | -157.3 | -172.3 | 12.3 | 0 | 0 | 110.6 | ||||
| 975 | C | 24.5 | Very low | 30.1 | Very low | 102 Ų | 102 | 160.6 Ų | 160.6 | 69% | 0.689 | 81% | 0.812 | S | S | * | * | trans | 70.8 | 119.2 | 150.8 | -144.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 976 | K | 31.1 | Very low | 29.9 | Very low | 194 Ų | 194 | 158.3 Ų | 158.3 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | 177.7 | 148.3 | 99.7 | -94.7 | 161 | -172.4 | 168.2 | 0 | 115 | |||||
| 977 | R | 25.7 | Very low | 29.7 | Very low | 233 Ų | 233 | 163.7 Ų | 163.7 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -57.9 | 147 | 162.1 | -65 | 163.4 | 161.4 | 150.8 | -7.1 | 111.2 | ||||
| 978 | N | 31.3 | Very low | 29.5 | Very low | 169 Ų | 169 | 163.2 Ų | 163.2 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | -161.2 | 164.6 | 125 | -108.8 | -27.5 | 0 | 0 | 0 | 115.3 | |||||
| 979 | R | 25.4 | Very low | 29.4 | Very low | 226 Ų | 226 | 169.5 Ų | 169.5 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -95.8 | 163.4 | -172.6 | -66.8 | 168.1 | 156.4 | 167.2 | -8.6 | 113 | ||||
| 980 | S | 25.8 | Very low | 29.1 | Very low | 100 Ų | 100 | 168.9 Ų | 168.9 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | trans | 91.4 | 131.7 | 136.6 | -75 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 981 | R | 29 | Very low | 29.2 | Very low | 234 Ų | 234 | 169.1 Ų | 169.1 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | 78.4 | 111 | 154.9 | -65.3 | 165.4 | -178.4 | -175.6 | -0.6 | 115.8 | ||||
| 982 | R | 25.9 | Very low | 29 | Very low | 215 Ų | 215 | 168.5 Ų | 168.5 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | 86.2 | 92.6 | 58.6 | -167.6 | -163.7 | -142.6 | -168.2 | 9.3 | 112.2 | |||||
| 983 | I | 33.3 | Very low | 29.1 | Very low | 177 Ų | 177 | 172.3 Ų | 172.3 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | trans | -129.3 | 152.3 | 149.9 | -62.9 | -174.1 | 0 | 0 | 0 | 107.6 | ||||
| 984 | H | 29.7 | Very low | 29 | Very low | 151 Ų | 151 | 172.6 Ų | 172.6 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -120.9 | 165.3 | -162.5 | -116.7 | -91.5 | 0 | 0 | 0 | 112.3 | ||||
| 985 | S | 30 | Very low | 28.9 | Very low | 117 Ų | 117 | 174.5 Ų | 174.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | 73.9 | 145.7 | 164.2 | 82.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 986 | S | 31.5 | Very low | 29.3 | Very low | 104 Ų | 104 | 175.5 Ų | 175.5 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | -144.1 | 148.9 | -4 | 62.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 987 | Q | 31.8 | Very low | 29.2 | Very low | 190 Ų | 190 | 177.5 Ų | 177.5 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | -157 | 141.4 | 77.4 | -74.3 | 174.9 | 5.6 | 0 | 0 | 110.2 | |||||
| 988 | S | 28.3 | Very low | 29.4 | Very low | 115 Ų | 115 | 177.8 Ų | 177.8 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -154.9 | 122.7 | 174.6 | -165.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 989 | R | 29.2 | Very low | 29.3 | Very low | 237 Ų | 237 | 174.9 Ų | 174.9 | 89% | 0.894 | 80% | 0.8 | S | S | * | * | trans | -175.7 | 110.3 | 159.8 | -100.6 | 153.9 | -161.1 | -147.5 | 6.4 | 109 | ||||
| 990 | H | 26.9 | Very low | 29.4 | Very low | 134 Ų | 134 | 169 Ų | 169 | 62% | 0.62 | 79% | 0.791 | S | S | * | * | trans | 144.1 | 47.4 | 144.1 | -82.9 | -7.2 | 0 | 0 | 0 | 120.3 | R816 | R816-H990 PolarHBondContact NH1-O 2.99Å; R816-H990 VanDerWaalsContact NH2-CB 3.31Å; R816-H990 PolarHBondContact NH2-CD2 2.93Å | ||
| 991 | I | 32.8 | Very low | 29.4 | Very low | 168 Ų | 168 | 171.9 Ų | 171.9 | 86% | 0.862 | 80% | 0.797 | S | S | * | * | trans | -115.3 | 109.1 | 152.2 | -58.7 | -179.9 | 0 | 0 | 0 | 109.1 | ||||
| 992 | R | 29.5 | Very low | 29.2 | Very low | 196 Ų | 196 | 165.8 Ų | 165.8 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | trans | -75.1 | 134.2 | 172.9 | -85.6 | -176.8 | 172.3 | 170.4 | -2.5 | 109 | N815 I994 | N815-R992 PolarHBondContact OD1-NH1 2.93Å; R992-I994 PolarHBondContact O-N 2.98Å | ||
| 993 | R | 29.4 | Very low | 29.2 | Very low | 222 Ų | 222 | 158.9 Ų | 158.9 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -73.1 | 121.6 | -174.9 | -68.8 | 169.2 | 167.8 | 157.5 | -7.1 | 111.9 | R995 | R993-R995 PolarHBondContact O-N 3.37Š| ||
| 994 | I | 30.5 | Very low | 28.8 | Very low | 160 Ų | 160 | 157.7 Ų | 157.7 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | trans | -74.3 | 113.2 | 146.5 | -63.8 | 177.2 | 0 | 0 | 0 | 106.2 | R992 T996 | R992-I994 PolarHBondContact O-N 2.98Å; I994-T996 PolarHBondContact O-N 2.93Å; I994-T996 VanDerWaalsContact O-N 3.07Å | ||
| 995 | R | 26.1 | Very low | 28.6 | Very low | 221 Ų | 221 | 157.5 Ų | 157.5 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -74.6 | 93.8 | 178.2 | -84.8 | 177.3 | 162.7 | 153.6 | -7.6 | 109.8 | R993 R997 | R993-R995 PolarHBondContact O-N 3.37Å; R995-R997 PolarHBondContact O-N 2.88Å; R995-R997 VanDerWaalsContact O-N 3.15Å | ||
| 996 | T | 32.3 | Very low | 28.5 | Very low | 123 Ų | 123 | 155.8 Ų | 155.8 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -63.5 | 110.4 | 157.4 | 42.8 | 0 | 0 | 0 | 0 | 108.5 | I994 R998 | I994-T996 PolarHBondContact O-N 2.93Å; I994-T996 VanDerWaalsContact O-N 3.07Å; T996-R998 PolarHBondContact O-N 3.41Å; T996-R998 VanDerWaalsContact O-N 3.08Å | ||
| 997 | R | 29.3 | Very low | 28.3 | Very low | 236 Ų | 236 | 158.7 Ų | 158.7 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | -64.2 | 109.3 | 169.5 | -80.9 | -175.6 | 171.8 | -176.4 | -2.3 | 107.8 | R995 I999 | R995-R997 PolarHBondContact O-N 2.88Å; R995-R997 VanDerWaalsContact O-N 3.15Å; R997-I999 PolarHBondContact O-N 3.16Å; R997-I999 VanDerWaalsContact O-N 3.14Å | ||
| 998 | R | 28.9 | Very low | 28.2 | Very low | 239 Ų | 239 | 153.4 Ų | 153.4 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | trans | -64.4 | 110 | 165.3 | -74.6 | -177.1 | 173.3 | -176.3 | -3.4 | 107.7 | T996 | T996-R998 PolarHBondContact O-N 3.41Å; T996-R998 VanDerWaalsContact O-N 3.08Å | ||
| 999 | I | 30.2 | Very low | 28.2 | Very low | 107 Ų | 107 | 154.3 Ų | 154.3 | 55% | 0.549 | 75% | 0.749 | S | S | . | * | trans | -76.1 | 127.9 | 172.5 | -60 | 175.8 | 0 | 0 | 0 | 107.6 | R997 | R997-I999 PolarHBondContact O-N 3.16Å; R997-I999 VanDerWaalsContact O-N 3.14Å | ||
| 1000 | P | 26.2 | Very low | 28.4 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 66% | 0.662 | 72% | 0.719 | S | S | * | * | trans | -66.8 | 136.2 | 177.4 | -15 | 28.2 | 0 | 0 | 0 | 111.5 | S1002 | P1000-S1002 VanDerWaalsContact C-N 3.33Å; P1000-S1002 PolarHBondContact O-N 2.92Å | ||
| 1001 | I | 27.3 | Very low | 28.9 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 83% | 0.831 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -92.9 | 67.4 | 175.8 | -52.5 | 173.7 | 0 | 0 | 0 | 108.5 | ||
| 1002 | S | 24.5 | Very low | 29.2 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | -164.9 | 72.5 | 175.2 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | P1000 | P1000-S1002 VanDerWaalsContact C-N 3.33Å; P1000-S1002 PolarHBondContact O-N 2.92Å | ||
| 1003 | A | 26.2 | Very low | 30.1 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 59% | 0.587 | 66% | 0.66 | S | S | * | * | trans | -141.2 | 101 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | F1005 | A1003-F1005 HydrophobicContact CB-CD2 4.03Å; A1003-F1005 HydrophobicContact CB-CE2 3.62Å; A1003-F1005 PolarHBondContact O-N 2.77Å | ||
| 1004 | T | 24.6 | Very low | 30.5 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 93% | 0.926 | 65% | 0.645 | S | S | * | * | trans | -74.7 | 103.5 | 171 | 46.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1005 | F | 25.7 | Very low | 31.4 | Very low | 147 Ų | 147 | 119.5 Ų | 119.5 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | trans | -94.8 | 144.7 | 167.2 | -75.7 | -87.6 | 0 | 0 | 0 | 109.4 | A1003 | A1003-F1005 HydrophobicContact CB-CD2 4.03Å; A1003-F1005 HydrophobicContact CB-CE2 3.62Å; A1003-F1005 PolarHBondContact O-N 2.77Å | ||
| 1006 | S | 26.4 | Very low | 32.2 | Very low | 81 Ų | 81 | 109.4 Ų | 109.4 | 57% | 0.566 | 59% | 0.585 | S | S | * | * | trans | -66.8 | 145.6 | 179 | 49.2 | 0 | 0 | 0 | 0 | 111.8 | S1008 | S1006-S1008 PolarHBondContact O-N 2.86Š| ||
| 1007 | D | 28.2 | Very low | 32.5 | Very low | 165 Ų | 165 | 107.8 Ų | 107.8 | 88% | 0.882 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 15.1 | -170.7 | -54.1 | -64.9 | 0 | 0 | 0 | 116.7 | ||
| 1008 | S | 29.9 | Very low | 33.1 | Very low | 80 Ų | 80 | 101.6 Ų | 101.6 | 56% | 0.559 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | -0.4 | -173.7 | 56.9 | 0 | 0 | 0 | 0 | 115.3 | S1006 I1010 | S1006-S1008 PolarHBondContact O-N 2.86Å; S1008-I1010 PolarHBondContact O-N 3.11Å |
| 1009 | E | 28.8 | Very low | 33.9 | Very low | 134 Ų | 134 | 91.3 Ų | 91.3 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | trans | -80.1 | 72.3 | 169.6 | -70.1 | -162.6 | 161.7 | 0 | 0 | 111.4 | V1011 | E1009-V1011 PolarHBondContact O-N 3.07Š| ||
| 1010 | I | 32.6 | Very low | 34.2 | Very low | 51 Ų | 51 | 87.4 Ų | 87.4 | 26% | 0.262 | 50% | 0.496 | S | S | . | . | trans | -55.7 | 121 | 172.3 | -60.6 | 174.8 | 0 | 0 | 0 | 109.1 | E461 L465 S1008 T1012 | E461-I1010 HydrophobicContact CB-CD1 3.75Å; E461-I1010 HydrophobicContact CG-CD1 4.04Å; L465-I1010 HydrophobicContact CB-CG2 4.18Å; L465-I1010 HydrophobicContact CD1-CG2 3.73Å; L465-I1010 HydrophobicContact CD2-CG2 4.07Å; L465-I1010 HydrophobicContact CG-CG2 4.19Å; S1008-I1010 PolarHBondContact O-N 3.11Å; I1010-T1012 VanDerWaalsContact C-N 3.27Å; I1010-T1012 HydrophobicContact CG2-CG2 4.21Å; I1010-T1012 PolarHBondContact O-N 2.76Å; I1010-T1012 PolarHBondContact O-OG1 3.33Å | ||
| 1011 | V | 38.3 | Very low | 34.5 | Very low | 84 Ų | 84 | 86.4 Ų | 86.4 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | trans | -63.9 | 80.2 | -173.6 | -175.1 | 0 | 0 | 0 | 0 | 111.6 | E1009 T1013 | E1009-V1011 PolarHBondContact O-N 3.07Å; V1011-T1013 PolarHBondContact O-N 3.47Å | ||
| 1012 | T | 38.8 | Very low | 34.4 | Very low | 34 Ų | 34 | 84.8 Ų | 84.8 | 21% | 0.209 | 48% | 0.482 | C | S | . | . | trans | -101.3 | 68.1 | -177.7 | 38.7 | 0 | 0 | 0 | 0 | 110 | Q551 I1010 P1014 | Q551-T1012 PolarHBondContact NE2-OG1 3.41Å; I1010-T1012 VanDerWaalsContact C-N 3.27Å; I1010-T1012 HydrophobicContact CG2-CG2 4.21Å; I1010-T1012 PolarHBondContact O-N 2.76Å; I1010-T1012 PolarHBondContact O-OG1 3.33Å; T1012-P1014 WeakPolarHBondContact O-CD 3.46Å | ||
| 1013 | T | 48.6 | Very low | 34.4 | Very low | 46 Ų | 46 | 87.3 Ų | 87.3 | 28% | 0.282 | 48% | 0.482 | S | S | . | . | trans | 24.1 | 66.1 | 168.8 | 57.8 | 0 | 0 | 0 | 0 | 117 | T472 V1011 W1015 L1016 | T472-T1013 HydrophobicContact CG2-CG2 4.15Å; V1011-T1013 PolarHBondContact O-N 3.47Å; T1013-W1015 PolarHBondContact O-N 3.03Å; T1013-W1015 VanDerWaalsContact O-N 3.16Å; T1013-L1016 PolarHBondContact O-N 2.71Å | ||
| 1014 | P | 37.8 | Very low | 34.3 | Very low | 80 Ų | 80 | 89.4 Ų | 89.4 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -61.8 | -27.5 | 178.9 | -22.1 | 34.9 | 0 | 0 | 0 | 112.6 | T1012 L1016 | T1012-P1014 WeakPolarHBondContact O-CD 3.46Å; P1014-L1016 PolarHBondContact O-N 3.21Å |
| 1015 | W | 48.7 | Very low | 34.3 | Very low | 90 Ų | 90 | 89.5 Ų | 89.5 | 34% | 0.341 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -69.1 | -7.1 | -175.5 | -49.1 | 112.3 | 0 | 0 | 0 | 115.7 | E388 T1013 I1017 D1018 F1019 | E388-W1015 VanDerWaalsContact CD-CH2 3.45Å; E388-W1015 HydrophobicContact CG-CD2 4.26Å; E388-W1015 HydrophobicContact CG-CE3 4.29Å; E388-W1015 HydrophobicContact CG-CH2 3.49Å; E388-W1015 VanDerWaalsContact CG-CH2 3.49Å; E388-W1015 HydrophobicContact CG-CZ2 3.43Å; E388-W1015 VanDerWaalsContact CG-CZ2 3.43Å; E388-W1015 HydrophobicContact CG-CZ3 3.93Å; E388-W1015 WeakPolarHBondContact OE1-CZ2 3.38Å; T1013-W1015 PolarHBondContact O-N 3.03Å; T1013-W1015 VanDerWaalsContact O-N 3.16Å; W1015-I1017 PolarHBondContact O-N 3.45Å; W1015-D1018 PolarHBondContact O-N 3.15Å; W1015-F1019 HydrophobicContact CB-CD2 4.15Å; W1015-F1019 HydrophobicContact CB-CE1 4.17Å; W1015-F1019 HydrophobicContact CB-CE2 3.33Å; W1015-F1019 HydrophobicContact CB-CZ 3.31Å; W1015-F1019 HydrophobicContact CG-CE2 4.48Å; W1015-F1019 HydrophobicContact CG-CZ 4.22Å; W1015-F1019 WeakPolarHBondContact O-CD2 3.29Å; W1015-F1019 VanDerWaalsContact O-CG 3.29Å; W1015-F1019 WeakPolarHBondContact O-CG 3.49Å; W1015-F1019 PolarHBondContact O-N 3.34Å |
| 1016 | L | 44.2 | Very low | 34.3 | Very low | 10 Ų | 10 | 86.9 Ų | 86.9 | 5% | 0.052 | 48% | 0.477 | C | S | . | . | G | 310 helix | trans | -63.3 | -14.6 | -176.9 | -126.4 | 150.5 | 0 | 0 | 0 | 113.1 | T472 L555 V558 T1013 P1014 F1019 F1020 | T472-L1016 HydrophobicContact CG2-CD1 3.99Å; L555-L1016 HydrophobicContact CD2-CD1 3.87Å; V558-L1016 HydrophobicContact CB-CD2 4.23Å; V558-L1016 HydrophobicContact CG1-CD2 3.79Å; V558-L1016 HydrophobicContact CG2-CD2 3.79Å; T1013-L1016 PolarHBondContact O-N 2.71Å; P1014-L1016 PolarHBondContact O-N 3.21Å; L1016-F1019 HydrophobicContact CG-CD2 4.48Å; L1016-F1020 HydrophobicContact CD2-CE2 3.97Å; L1016-F1020 WeakPolarHBondContact O-CD2 3.28Å |
| 1017 | I | 37.1 | Very low | 34.1 | Very low | 89 Ų | 89 | 90.4 Ų | 90.4 | 46% | 0.456 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -52.5 | 169.2 | -49.1 | 168.8 | 0 | 0 | 0 | 110.9 | N554 W1015 F1019 F1020 | N554-I1017 HydrophobicContact CB-CD1 4.15Å; N554-I1017 HydrophobicContact CB-CG1 3.79Å; N554-I1017 VanDerWaalsContact CG-CD1 3.46Å; N554-I1017 WeakPolarHBondContact ND2-CD1 3.3Å; W1015-I1017 PolarHBondContact O-N 3.45Å; I1017-F1019 PolarHBondContact O-N 3.31Å; I1017-F1019 VanDerWaalsContact O-N 3.11Å; I1017-F1020 PolarHBondContact O-N 3.06Å |
| 1018 | D | 42.5 | Very low | 34 | Very low | 105 Ų | 105 | 89.2 Ų | 89.2 | 56% | 0.561 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -13.5 | 178.3 | -64.5 | -28.7 | 0 | 0 | 0 | 113.5 | K422 W1015 F1020 | K422-D1018 PolarHBondContact NZ-O 3.22Å; K422-D1018 VanDerWaalsContact NZ-O 3.11Å; W1015-D1018 PolarHBondContact O-N 3.15Å; D1018-F1020 VanDerWaalsContact C-N 3.31Å |
| 1019 | F | 45.7 | Very low | 33.8 | Very low | 24 Ų | 24 | 90 Ų | 90 | 11% | 0.105 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -14.1 | 170.8 | -60.7 | -32.7 | 0 | 0 | 0 | 113.7 | I387 T418 K422 R479 W1015 L1016 I1017 P1021 | I387-F1019 HydrophobicContact CG2-CE1 4.07Å; I387-F1019 HydrophobicContact CG2-CZ 4.22Å; T418-F1019 HydrophobicContact CG2-CD1 4.08Å; T418-F1019 HydrophobicContact CG2-CD2 3.91Å; T418-F1019 HydrophobicContact CG2-CE1 3.46Å; T418-F1019 VanDerWaalsContact CG2-CE1 3.46Å; T418-F1019 HydrophobicContact CG2-CE2 3.27Å; T418-F1019 HydrophobicContact CG2-CG 4.32Å; T418-F1019 HydrophobicContact CG2-CZ 3.05Å; K422-F1019 VanDerWaalsContact CE-CD1 3.44Å; R479-F1019 PolarHBondContact NH1-O 2.8Å; R479-F1019 PolarHBondContact NH2-O 2.73Å; W1015-F1019 HydrophobicContact CB-CD2 4.15Å; W1015-F1019 HydrophobicContact CB-CE1 4.17Å; W1015-F1019 HydrophobicContact CB-CE2 3.33Å; W1015-F1019 HydrophobicContact CB-CZ 3.31Å; W1015-F1019 HydrophobicContact CG-CE2 4.48Å; W1015-F1019 HydrophobicContact CG-CZ 4.22Å; W1015-F1019 WeakPolarHBondContact O-CD2 3.29Å; W1015-F1019 VanDerWaalsContact O-CG 3.29Å; W1015-F1019 WeakPolarHBondContact O-CG 3.49Å; W1015-F1019 PolarHBondContact O-N 3.34Å; L1016-F1019 HydrophobicContact CG-CD2 4.48Å; I1017-F1019 PolarHBondContact O-N 3.31Å; I1017-F1019 VanDerWaalsContact O-N 3.11Å; F1019-P1021 VanDerWaalsContact O-CD 3.32Å; F1019-P1021 WeakPolarHBondContact O-CD 3.37Å |
| 1020 | F | 36.3 | Very low | 33.8 | Very low | 24 Ų | 24 | 92.6 Ų | 92.6 | 11% | 0.105 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -115.8 | 84.9 | 172.3 | -68.4 | -96.1 | 0 | 0 | 0 | 110.3 | R479 V558 H561 L562 L1016 I1017 D1018 I1022 | R479-F1020 VanDerWaalsContact NH1-CD1 3.28Å; V558-F1020 HydrophobicContact CB-CD2 4.49Å; V558-F1020 HydrophobicContact CB-CE2 4.14Å; V558-F1020 HydrophobicContact CB-CZ 4.46Å; V558-F1020 HydrophobicContact CG1-CD2 4.26Å; V558-F1020 HydrophobicContact CG1-CE1 4.38Å; V558-F1020 HydrophobicContact CG1-CE2 3.45Å; V558-F1020 VanDerWaalsContact CG1-CE2 3.45Å; V558-F1020 HydrophobicContact CG1-CZ 3.52Å; V558-F1020 HydrophobicContact CG2-CD2 3.59Å; V558-F1020 HydrophobicContact CG2-CE2 3.64Å; V558-F1020 HydrophobicContact CG2-CG 4.31Å; V558-F1020 HydrophobicContact CG2-CZ 4.38Å; H561-F1020 AromaticContact CD2-CD1 3.38Å; H561-F1020 WeakPolarHBondContact CD2-CD1 3.12Å; H561-F1020 AromaticContact CD2-CE1 3.59Å; H561-F1020 AromaticContact NE2-CD1 3.73Å; L562-F1020 HydrophobicContact CD1-CZ 4.25Å; L562-F1020 HydrophobicContact CD2-CE1 3.85Å; L562-F1020 HydrophobicContact CD2-CZ 4.05Å; L562-F1020 HydrophobicContact CG-CE1 4.05Å; L562-F1020 HydrophobicContact CG-CZ 4.11Å; L1016-F1020 HydrophobicContact CD2-CE2 3.97Å; L1016-F1020 WeakPolarHBondContact O-CD2 3.28Å; I1017-F1020 PolarHBondContact O-N 3.06Å; D1018-F1020 VanDerWaalsContact C-N 3.31Å; F1020-I1022 PolarHBondContact O-N 3.11Å |
| 1021 | P | 31.7 | Very low | 33.7 | Very low | 81 Ų | 81 | 94.6 Ų | 94.6 | 53% | 0.526 | 52% | 0.517 | S | S | . | . | trans | -62.2 | 104.4 | 164.1 | 27.8 | -32 | 0 | 0 | 0 | 107.4 | F1019 E1023 | F1019-P1021 VanDerWaalsContact O-CD 3.32Å; F1019-P1021 WeakPolarHBondContact O-CD 3.37Å; P1021-E1023 PolarHBondContact O-N 3.37Å | ||
| 1022 | I | 25.8 | Very low | 33.1 | Very low | 129 Ų | 129 | 97 Ų | 97 | 66% | 0.662 | 53% | 0.532 | S | S | * | . | trans | -73.8 | 92.9 | 163.8 | -47.5 | 177.9 | 0 | 0 | 0 | 104.8 | F1020 V1024 | F1020-I1022 PolarHBondContact O-N 3.11Å; I1022-V1024 HydrophobicContact CB-CG2 4.28Å; I1022-V1024 HydrophobicContact CG2-CG2 3.46Å; I1022-V1024 VanDerWaalsContact CG2-CG2 3.46Å; I1022-V1024 PolarHBondContact O-N 2.68Å | ||
| 1023 | E | 25 | Very low | 32.8 | Very low | 158 Ų | 158 | 100.9 Ų | 100.9 | 74% | 0.738 | 56% | 0.556 | S | S | * | * | trans | -67.7 | 77.1 | 163.9 | -75 | -178.6 | 169.4 | 0 | 0 | 108.1 | P1021 H1025 | P1021-E1023 PolarHBondContact O-N 3.37Å; E1023-H1025 PolarHBondContact O-N 2.93Å | ||
| 1024 | V | 24.6 | Very low | 31.7 | Very low | 114 Ų | 114 | 106.1 Ų | 106.1 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | trans | -69.8 | 81.6 | 159.2 | -171.4 | 0 | 0 | 0 | 0 | 106 | I1022 S1026 | I1022-V1024 HydrophobicContact CB-CG2 4.28Å; I1022-V1024 HydrophobicContact CG2-CG2 3.46Å; I1022-V1024 VanDerWaalsContact CG2-CG2 3.46Å; I1022-V1024 PolarHBondContact O-N 2.68Å; V1024-S1026 PolarHBondContact O-N 2.97Å | ||
| 1025 | H | 24.2 | Very low | 31.5 | Very low | 153 Ų | 153 | 111.1 Ų | 111.1 | 71% | 0.708 | 60% | 0.598 | S | S | * | * | trans | -55.7 | 114 | 154.6 | -87.2 | -70.5 | 0 | 0 | 0 | 106.5 | E1023 I1027 | E1023-H1025 PolarHBondContact O-N 2.93Å; H1025-I1027 VanDerWaalsContact C-N 3.29Å; H1025-I1027 PolarHBondContact O-N 2.86Å | ||
| 1026 | S | 24.3 | Very low | 30.6 | Very low | 93 Ų | 93 | 112.7 Ų | 112.7 | 65% | 0.65 | 62% | 0.618 | S | S | * | * | trans | -65.2 | 93.7 | 175.3 | 46.4 | 0 | 0 | 0 | 0 | 108.5 | V1024 N1028 | V1024-S1026 PolarHBondContact O-N 2.97Å; S1026-N1028 PolarHBondContact O-N 3.35Å | ||
| 1027 | I | 23.7 | Very low | 30 | Very low | 155 Ų | 155 | 118.3 Ų | 118.3 | 80% | 0.795 | 65% | 0.653 | S | S | * | * | trans | -65.6 | 88.1 | 157.2 | -58.8 | 176.9 | 0 | 0 | 0 | 104.9 | H1025 S1029 | H1025-I1027 VanDerWaalsContact C-N 3.29Å; H1025-I1027 PolarHBondContact O-N 2.86Å; I1027-S1029 VanDerWaalsContact C-N 3.29Å; I1027-S1029 PolarHBondContact O-N 3.43Å | ||
| 1028 | N | 25.2 | Very low | 29.7 | Very low | 140 Ų | 140 | 118.8 Ų | 118.8 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | trans | -63.3 | 98.1 | 168.9 | -90 | -6.3 | 0 | 0 | 0 | 106.9 | S1026 Q1030 | S1026-N1028 PolarHBondContact O-N 3.35Å; N1028-Q1030 VanDerWaalsContact C-N 3.33Å; N1028-Q1030 PolarHBondContact O-N 3.17Å | ||
| 1029 | S | 26.6 | Very low | 29.3 | Very low | 95 Ų | 95 | 121.1 Ų | 121.1 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | trans | -64.6 | 91.2 | 172.9 | 49.9 | 0 | 0 | 0 | 0 | 109.4 | I1027 S1031 | I1027-S1029 VanDerWaalsContact C-N 3.29Å; I1027-S1029 PolarHBondContact O-N 3.43Å; S1029-S1031 PolarHBondContact O-N 2.95Å | ||
| 1030 | Q | 28.3 | Very low | 28.6 | Very low | 189 Ų | 189 | 127.8 Ų | 127.8 | 88% | 0.883 | 70% | 0.696 | S | S | * | * | trans | -72.9 | 77.5 | 157.6 | -76.3 | -167.9 | -11.3 | 0 | 0 | 108.4 | N1028 T1032 | N1028-Q1030 VanDerWaalsContact C-N 3.33Å; N1028-Q1030 PolarHBondContact O-N 3.17Å; Q1030-T1032 PolarHBondContact O-N 2.71Å | ||
| 1031 | S | 29.9 | Very low | 28.4 | Very low | 93 Ų | 93 | 133.1 Ų | 133.1 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | trans | -66.1 | 110.2 | 170 | 53.2 | 0 | 0 | 0 | 0 | 109 | S1029 V1033 | S1029-S1031 PolarHBondContact O-N 2.95Å; S1031-V1033 PolarHBondContact O-N 3.47Å | ||
| 1032 | T | 26.2 | Very low | 28.6 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -63.4 | 112.1 | 166.9 | 46.4 | 0 | 0 | 0 | 0 | 109.5 | Q1030 | Q1030-T1032 PolarHBondContact O-N 2.71Š| ||
| 1033 | V | 32.7 | Very low | 28.8 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 71% | 0.709 | 75% | 0.747 | S | S | * | * | trans | -117 | 109.9 | 163.4 | 179.3 | 0 | 0 | 0 | 0 | 107.1 | S1031 | S1031-V1033 PolarHBondContact O-N 3.47Š| ||
| 1034 | N | 26.2 | Very low | 29.4 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -76.7 | 121.8 | 164.5 | -71.8 | -26.7 | 0 | 0 | 0 | 107.4 | ||||
| 1035 | E | 32.5 | Very low | 29.7 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | -146.8 | 128.4 | 150.1 | -121.2 | 163.2 | -149.3 | 0 | 0 | 111 | ||||
| 1036 | T | 30.2 | Very low | 30.1 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -67.2 | 142.5 | -171.9 | 46.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1037 | T | 32.3 | Very low | 30.6 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | 176.5 | 124.6 | 116.6 | 34.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1038 | S | 30.6 | Very low | 31 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | 19.6 | 129.3 | 134.6 | 57.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1039 | E | 33.1 | Very low | 31.4 | Very low | 153 Ų | 153 | 150.5 Ų | 150.5 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | cis | -148.9 | -165.9 | 15.8 | -54.3 | -170.4 | 136.8 | 0 | 0 | 111 | ||||
| 1040 | R | 32.5 | Very low | 31.8 | Very low | 165 Ų | 165 | 152.5 Ų | 152.5 | 62% | 0.623 | 77% | 0.773 | S | S | * | * | cis | -158.8 | 165.6 | 1.6 | -142 | -171.8 | 169.1 | 74.9 | 25.9 | 112.6 | ||||
| 1041 | E | 32 | Very low | 32.1 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | trans | -8.6 | 142.8 | 145.4 | -72.1 | 158.5 | -170.6 | 0 | 0 | 118.7 | ||||
| 1042 | E | 34.1 | Very low | 32.1 | Very low | 177 Ų | 177 | 154.1 Ų | 154.1 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | cis | -144.4 | 135.8 | 11.7 | -89.8 | 154.9 | 164.7 | 0 | 0 | 110.3 | ||||
| 1043 | H | 31.8 | Very low | 32.4 | Very low | 196 Ų | 196 | 158.8 Ų | 158.8 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | 55.1 | 114.8 | 96.3 | -92 | 50.8 | 0 | 0 | 0 | 119.1 | |||||
| 1044 | G | 36 | Very low | 32.4 | Very low | 79 Ų | 79 | 161 Ų | 161 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -177.7 | 124.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1045 | Q | 30.9 | Very low | 32.9 | Very low | 180 Ų | 180 | 161 Ų | 161 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -102 | -178.8 | -172.6 | -63 | 175.8 | -81.2 | 0 | 0 | 113.1 | ||||
| 1046 | E | 34 | Very low | 33.1 | Very low | 179 Ų | 179 | 159.2 Ų | 159.2 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | 71.3 | 158.7 | 158.4 | -67.5 | -179.6 | 154.9 | 0 | 0 | 117.9 | ||||
| 1047 | E | 33.1 | Very low | 33.4 | Very low | 141 Ų | 141 | 158.7 Ų | 158.7 | 66% | 0.659 | 76% | 0.764 | S | S | * | * | cis | -163.2 | 169.5 | -40.5 | -152 | -168.2 | -142.1 | 0 | 0 | 106.9 | ||||
| 1048 | R | 34 | Very low | 33.6 | Very low | 210 Ų | 210 | 161.9 Ų | 161.9 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | 73.8 | 104 | 159.2 | -60.7 | 168.8 | -172.3 | -157.2 | -1.3 | 121.8 | ||||
| 1049 | R | 32.7 | Very low | 33.9 | Very low | 226 Ų | 226 | 163.4 Ų | 163.4 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | 46.1 | 144.6 | 108.6 | -91.3 | -175.7 | 178 | 163.5 | 0.2 | 122.8 | |||||
| 1050 | N | 35.1 | Very low | 34.2 | Very low | 137 Ų | 137 | 163.4 Ų | 163.4 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | 82.2 | 148.2 | 156.3 | -60.6 | -5.4 | 0 | 0 | 0 | 117 | ||||
| 1051 | T | 34 | Very low | 34.4 | Very low | 107 Ų | 107 | 162.2 Ų | 162.2 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | cis | -169.2 | 147.7 | -21.6 | 27.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1052 | Y | 30.6 | Very low | 34.6 | Very low | 210 Ų | 210 | 163.6 Ų | 163.6 | 82% | 0.824 | 79% | 0.785 | S | S | * | * | trans | 26.4 | 126.4 | 149.9 | -70.8 | -86.9 | 0 | 0 | 0 | 123.3 | ||||
| 1053 | R | 32.7 | Very low | 34.5 | Very low | 231 Ų | 231 | 159.9 Ų | 159.9 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | 165.5 | 125.8 | 130.7 | -92.8 | 164.3 | 179.5 | 136.9 | -1.4 | 107.9 | ||||
| 1054 | E | 32.9 | Very low | 34.7 | Very low | 165 Ų | 165 | 158.2 Ų | 158.2 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | 54.9 | 104.5 | 64.9 | -72.1 | -177.8 | 165.2 | 0 | 0 | 112.6 | |||||
| 1055 | D | 36.7 | Very low | 34.6 | Very low | 155 Ų | 155 | 159.4 Ų | 159.4 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | 175.8 | 157.2 | 121.5 | -81.8 | -18 | 0 | 0 | 0 | 112.3 | |||||
| 1056 | D | 35.6 | Very low | 34.6 | Very low | 147 Ų | 147 | 159.6 Ų | 159.6 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | -67.4 | 178.4 | -160.6 | -66.7 | -54.6 | 0 | 0 | 0 | 119.9 | ||||
| 1057 | D | 37.8 | Very low | 34.5 | Very low | 113 Ų | 113 | 157.5 Ų | 157.5 | 60% | 0.604 | 77% | 0.771 | S | S | * | * | trans | 106.1 | 116.6 | 132.3 | -97.2 | 2.9 | 0 | 0 | 0 | 122.1 | ||||
| 1058 | R | 36.2 | Very low | 34.3 | Very low | 194 Ų | 194 | 155.8 Ų | 155.8 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | 92.6 | 118.8 | 138.7 | -65.1 | 175.3 | -144.6 | 178.6 | 10 | 122.4 | ||||
| 1059 | D | 36.1 | Very low | 34.1 | Very low | 132 Ų | 132 | 151.7 Ų | 151.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | 55.3 | 113 | 121.6 | -45.2 | -24 | 0 | 0 | 0 | 119.7 | |||||
| 1060 | D | 38.8 | Very low | 34.1 | Very low | 153 Ų | 153 | 146.7 Ų | 146.7 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | -178.6 | 141.1 | 100.5 | -93.6 | -22.4 | 0 | 0 | 0 | 113.9 | |||||
| 1061 | D | 37.2 | Very low | 33.6 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | 1.2 | 131.4 | 161.1 | -65.2 | -27.9 | 0 | 0 | 0 | 121.7 | ||||
| 1062 | N | 36.4 | Very low | 33.6 | Very low | 164 Ų | 164 | 150.5 Ų | 150.5 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | -165.7 | 154.6 | 101.2 | -105.9 | -70.3 | 0 | 0 | 0 | 115.7 | |||||
| 1063 | S | 32.2 | Very low | 33.8 | Very low | 99 Ų | 99 | 147.6 Ų | 147.6 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | trans | -94.8 | 157.1 | -167.7 | 63.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1064 | I | 35.3 | Very low | 33.8 | Very low | 160 Ų | 160 | 143.2 Ų | 143.2 | 82% | 0.821 | 80% | 0.803 | S | S | * | * | trans | -176.5 | 87.4 | 152.2 | -95 | 148.5 | 0 | 0 | 0 | 105.6 | ||||
| 1065 | S | 35.2 | Very low | 33.9 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | 84.6 | 124.7 | 87.6 | 74.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1066 | E | 29.2 | Very low | 33.7 | Very low | 183 Ų | 183 | 141.2 Ų | 141.2 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | -69.6 | 150.3 | -175 | -56.1 | 170.2 | 119.6 | 0 | 0 | 113.8 | ||||
| 1067 | V | 32.6 | Very low | 33.6 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | trans | -132.5 | 97.3 | 150.1 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1068 | S | 28.5 | Very low | 33.3 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -87.2 | 124.7 | 159.9 | 57.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1069 | C | 29.5 | Very low | 33.1 | Very low | 123 Ų | 123 | 139 Ų | 139 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | trans | -141.6 | 131.4 | 164.6 | -100.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1070 | T | 32.9 | Very low | 32.9 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | trans | -65.8 | 151.3 | 177.7 | 44.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1071 | V | 26 | Very low | 32.4 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 84% | 0.836 | 83% | 0.834 | S | S | * | * | trans | 48.4 | 116.1 | 133.7 | -176.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1072 | S | 33.9 | Very low | 32 | Very low | 187 Ų | 187 | 138.3 Ų | 138.3 | 100% | 1.308 | 84% | 0.841 | S | S | * | * | -155.5 | 0 | 121.9 | 65.5 | 0 | 0 | 0 | 0 | 109.6 |
Retrieved 1,072 of 1,072 residues in 1806.2 ms
(Link to these results)