| 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 | 52.8 | Low | 78 | Confident | 246 Ų | 246 | 90.4 Ų | 90.4 | 100% | 1.212 | 48% | 0.475 | S | S | * | . | 0 | 125.6 | 0 | -65.3 | -175.5 | -174.5 | 0 | 0 | 107.5 | S3 | M1-S3 PolarHBondContact O-N 3.33Š| |||
| 2 | A | 59.5 | Low | 78.5 | Confident | 74 Ų | 74 | 88.8 Ų | 88.8 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | trans | -72.8 | 121.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 3 | S | 74.1 | Confident | 79.2 | Confident | 93 Ų | 93 | 84.5 Ų | 84.5 | 65% | 0.65 | 46% | 0.458 | S | S | * | . | trans | -84.5 | 114.8 | 174.7 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | M1 | M1-S3 PolarHBondContact O-N 3.33Š| ||
| 4 | Y | 83.3 | Confident | 79.5 | Confident | 95 Ų | 95 | 84.5 Ų | 84.5 | 37% | 0.373 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 123 | 174.9 | -62.7 | -82.6 | 0 | 0 | 0 | 109 | A12 F13 G16 | Y4-A12 CarbonylContact O-C 3.34Å; Y4-A12 WeakPolarHBondContact O-CA 3.33Å; Y4-F13 PolarHBondContact O-N 3.06Å; Y4-G16 VanDerWaalsContact CD2-N 3.33Å |
| 5 | T | 86.8 | Confident | 80 | Confident | 67 Ų | 67 | 85.3 Ų | 85.3 | 41% | 0.411 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.9 | -176.7 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | V11 A12 Q19 | T5-V11 CarbonylContact C-O 3.5Å; T5-V11 WeakPolarHBondContact CA-O 3.4Å; T5-A12 HydrophobicContact CG2-CB 3.93Å; T5-Q19 PolarHBondContact O-NE2 3.19Å |
| 6 | C | 86.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 80.9 Ų | 80.9 | 1% | 0.014 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.9 | 173 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | S8 C9 R10 V11 F13 H22 H28 | C6-S8 VanDerWaalsContact C-N 3.34Å; C6-S8 PolarHBondContact O-N 3.1Å; C6-C9 HydrophobicContact CB-CB 4.48Å; C6-C9 PolarHBondContact O-N 3.09Å; C6-C9 PolarHBondContact SG-N 2.75Å; C6-R10 VanDerWaalsContact O-CA 3.31Å; C6-R10 WeakPolarHBondContact O-CA 3.5Å; C6-R10 PolarHBondContact O-N 3.32Å; C6-V11 PolarHBondContact N-O 2.72Å; C6-V11 PolarHBondContact O-N 3.25Å; C6-F13 HydrophobicContact CB-CE2 3.93Å; C6-H22 PolarHBondContact SG-NE2 3.45Å; C6-H28 PolarHBondContact SG-CE1 2.78Å; C6-H28 PolarHBondContact SG-ND1 3.25Å |
| 7 | I | 83.3 | Confident | 80.6 | Confident | 138 Ų | 138 | 84.6 Ų | 84.6 | 71% | 0.708 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -34.3 | -177.2 | -60.2 | 167 | 0 | 0 | 0 | 111.6 | ||
| 8 | S | 80.6 | Confident | 80.9 | Confident | 18 Ų | 18 | 83.8 Ų | 83.8 | 13% | 0.126 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -29.4 | -178.3 | -58.3 | 0 | 0 | 0 | 0 | 112.9 | C6 | C6-S8 VanDerWaalsContact C-N 3.34Å; C6-S8 PolarHBondContact O-N 3.1Å |
| 9 | C | 81.7 | Confident | 81.1 | Confident | 11 Ų | 11 | 81.3 Ų | 81.3 | 7% | 0.074 | 45% | 0.452 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -6.7 | -179.8 | -58.4 | 0 | 0 | 0 | 0 | 113.7 | C6 V11 H22 W27 | C6-C9 HydrophobicContact CB-CB 4.48Å; C6-C9 PolarHBondContact O-N 3.09Å; C6-C9 PolarHBondContact SG-N 2.75Å; C9-V11 VanDerWaalsContact C-N 3.33Å; C9-V11 HydrophobicContact CB-CG2 3.91Å; C9-V11 WeakPolarHBondContact O-CG2 3.35Å; C9-V11 PolarHBondContact O-N 3.03Å; C9-H22 PolarHBondContact SG-CE1 3.37Å; C9-H22 PolarHBondContact SG-NE2 3.23Å; C9-H22 VanDerWaalsContact SG-NE2 3.4Å; C9-W27 HydrophobicContact CB-CH2 3.73Å; C9-W27 HydrophobicContact CB-CZ2 4.05Å; C9-W27 HydrophobicContact CB-CZ3 3.98Å |
| 10 | R | 83.3 | Confident | 81.4 | Confident | 204 Ų | 204 | 85.3 Ų | 85.3 | 77% | 0.77 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 42.6 | -178.5 | -58 | -179.1 | 178.7 | 165.5 | -1.4 | 113.4 | C6 | C6-R10 VanDerWaalsContact O-CA 3.31Å; C6-R10 WeakPolarHBondContact O-CA 3.5Å; C6-R10 PolarHBondContact O-N 3.32Å |
| 11 | V | 85.4 | Confident | 81.7 | Confident | 46 Ų | 46 | 84 Ų | 84 | 28% | 0.279 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 145.6 | 179.3 | -159.2 | 0 | 0 | 0 | 0 | 110.5 | T5 C6 C9 F13 W27 | T5-V11 CarbonylContact C-O 3.5Å; T5-V11 WeakPolarHBondContact CA-O 3.4Å; C6-V11 PolarHBondContact N-O 2.72Å; C6-V11 PolarHBondContact O-N 3.25Å; C9-V11 VanDerWaalsContact C-N 3.33Å; C9-V11 HydrophobicContact CB-CG2 3.91Å; C9-V11 WeakPolarHBondContact O-CG2 3.35Å; C9-V11 PolarHBondContact O-N 3.03Å; V11-F13 HydrophobicContact CB-CE2 4.38Å; V11-F13 HydrophobicContact CB-CZ 4.07Å; V11-F13 HydrophobicContact CG1-CE1 4.17Å; V11-F13 HydrophobicContact CG1-CZ 4.22Å; V11-W27 HydrophobicContact CG2-CH2 3.28Å; V11-W27 HydrophobicContact CG2-CZ2 4.38Å; V11-W27 HydrophobicContact CG2-CZ3 3.76Å |
| 12 | A | 85.1 | Confident | 83.4 | Confident | 71 Ų | 71 | 72.7 Ų | 72.7 | 59% | 0.587 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 137.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y4 T5 | Y4-A12 CarbonylContact O-C 3.34Å; Y4-A12 WeakPolarHBondContact O-CA 3.33Å; T5-A12 HydrophobicContact CG2-CB 3.93Å |
| 13 | F | 86.8 | Confident | 84.8 | Confident | 33 Ų | 33 | 74 Ų | 74 | 15% | 0.145 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 147.5 | 177.5 | -57.7 | -72.8 | 0 | 0 | 0 | 109.5 | Y4 C6 V11 V18 Q19 H22 | Y4-F13 PolarHBondContact O-N 3.06Å; C6-F13 HydrophobicContact CB-CE2 3.93Å; V11-F13 HydrophobicContact CB-CE2 4.38Å; V11-F13 HydrophobicContact CB-CZ 4.07Å; V11-F13 HydrophobicContact CG1-CE1 4.17Å; V11-F13 HydrophobicContact CG1-CZ 4.22Å; F13-V18 HydrophobicContact CB-CB 4.47Å; F13-V18 HydrophobicContact CB-CG1 4.47Å; F13-V18 HydrophobicContact CD1-CB 4.4Å; F13-V18 HydrophobicContact CD1-CG1 3.58Å; F13-V18 HydrophobicContact CE1-CG1 4.17Å; F13-V18 HydrophobicContact CG-CG1 4.27Å; F13-Q19 HydrophobicContact CD2-CB 3.95Å; F13-Q19 HydrophobicContact CD2-CG 3.96Å; F13-Q19 HydrophobicContact CE2-CG 4.34Å; F13-Q19 HydrophobicContact CG-CB 4.46Å; F13-H22 HydrophobicContact CE1-CB 4.1Å; F13-H22 HydrophobicContact CE2-CB 4.05Å; F13-H22 AromaticContact CE2-CD2 3.71Å; F13-H22 AromaticContact CE2-CG 3.89Å; F13-H22 HydrophobicContact CZ-CB 3.55Å; F13-H22 AromaticContact CZ-CD2 3.58Å; F13-H22 AromaticContact CZ-CG 3.34Å; F13-H22 AromaticContact CZ-ND1 3.82Å |
| 14 | A | 83.1 | Confident | 85.5 | Confident | 85 Ų | 85 | 77.4 Ų | 77.4 | 70% | 0.702 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -69.3 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 15 | D | 87.1 | Confident | 85.7 | Confident | 97 Ų | 97 | 75.7 Ų | 75.7 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -122.7 | 150.3 | -172.7 | -56 | -55 | 0 | 0 | 0 | 113 | E17 V18 Q19 | D15-E17 VanDerWaalsContact C-N 3.26Å; D15-E17 PolarHBondContact O-N 3.48Å; D15-V18 HydrophobicContact CB-CG2 4.21Å; D15-V18 PolarHBondContact O-N 2.83Å; D15-Q19 PolarHBondContact O-N 2.99Å |
| 16 | G | 84.8 | Confident | 85.6 | Confident | 15 Ų | 15 | 77.5 Ų | 77.5 | 16% | 0.155 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -69.3 | -22.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y4 R20 | Y4-G16 VanDerWaalsContact CD2-N 3.33Å; G16-R20 WeakPolarHBondContact O-CG 3.2Å; G16-R20 PolarHBondContact O-N 3.4Å; G16-R20 VanDerWaalsContact O-N 3.13Å |
| 17 | E | 85.3 | Confident | 85.6 | Confident | 144 Ų | 144 | 79 Ų | 79 | 67% | 0.673 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -69.6 | -43.7 | 173.8 | -69.2 | -175.5 | 177.1 | 0 | 0 | 111.8 | D15 Q19 R20 A21 | D15-E17 VanDerWaalsContact C-N 3.26Å; D15-E17 PolarHBondContact O-N 3.48Å; E17-Q19 VanDerWaalsContact C-N 3.27Å; E17-Q19 PolarHBondContact O-N 3.34Å; E17-R20 PolarHBondContact O-N 2.87Å; E17-R20 VanDerWaalsContact O-N 3.16Å; E17-A21 PolarHBondContact O-N 3.19Å |
| 18 | V | 86.1 | Confident | 85.7 | Confident | 70 Ų | 70 | 73.1 Ų | 73.1 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 175.7 | -177 | 0 | 0 | 0 | 0 | 110.8 | F13 D15 A21 H22 | F13-V18 HydrophobicContact CB-CB 4.47Å; F13-V18 HydrophobicContact CB-CG1 4.47Å; F13-V18 HydrophobicContact CD1-CB 4.4Å; F13-V18 HydrophobicContact CD1-CG1 3.58Å; F13-V18 HydrophobicContact CE1-CG1 4.17Å; F13-V18 HydrophobicContact CG-CG1 4.27Å; D15-V18 HydrophobicContact CB-CG2 4.21Å; D15-V18 PolarHBondContact O-N 2.83Å; V18-A21 PolarHBondContact O-N 3.49Å; V18-H22 WeakPolarHBondContact O-CB 3.48Å; V18-H22 PolarHBondContact O-N 3.24Å |
| 19 | Q | 85.3 | Confident | 86 | Confident | 35 Ų | 35 | 78.6 Ų | 78.6 | 16% | 0.164 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.1 | -44 | 173.9 | -166.9 | -166.3 | 33.8 | 0 | 0 | 112 | T5 F13 D15 E17 H22 Y23 | T5-Q19 PolarHBondContact O-NE2 3.19Å; F13-Q19 HydrophobicContact CD2-CB 3.95Å; F13-Q19 HydrophobicContact CD2-CG 3.96Å; F13-Q19 HydrophobicContact CE2-CG 4.34Å; F13-Q19 HydrophobicContact CG-CB 4.46Å; D15-Q19 PolarHBondContact O-N 2.99Å; E17-Q19 VanDerWaalsContact C-N 3.27Å; E17-Q19 PolarHBondContact O-N 3.34Å; Q19-H22 WeakPolarHBondContact O-CB 3.18Å; Q19-H22 PolarHBondContact O-N 3.31Å; Q19-Y23 HydrophobicContact CG-CD2 4.38Å; Q19-Y23 HydrophobicContact CG-CE2 3.76Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.39Å; Q19-Y23 PolarHBondContact O-N 3.08Å |
| 20 | R | 87.3 | Confident | 86.1 | Confident | 162 Ų | 162 | 81.6 Ų | 81.6 | 61% | 0.611 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 176.4 | -75.1 | -175.2 | -74.8 | 168.6 | -2.3 | 112.1 | G16 E17 H22 Y23 | G16-R20 WeakPolarHBondContact O-CG 3.2Å; G16-R20 PolarHBondContact O-N 3.4Å; G16-R20 VanDerWaalsContact O-N 3.13Å; E17-R20 PolarHBondContact O-N 2.87Å; E17-R20 VanDerWaalsContact O-N 3.16Å; R20-H22 VanDerWaalsContact C-N 3.35Å; R20-Y23 PolarHBondContact O-N 2.92Å |
| 21 | A | 87.6 | Confident | 86.2 | Confident | 57 Ų | 57 | 71.9 Ų | 71.9 | 47% | 0.471 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E17 V18 Y23 K24 T25 | E17-A21 PolarHBondContact O-N 3.19Å; V18-A21 PolarHBondContact O-N 3.49Å; A21-Y23 VanDerWaalsContact C-N 3.34Å; A21-Y23 PolarHBondContact O-N 2.78Å; A21-K24 WeakPolarHBondContact O-CB 3.39Å; A21-K24 PolarHBondContact O-N 3.49Å; A21-T25 PolarHBondContact O-N 3.14Å |
| 22 | H | 89.3 | Confident | 86.2 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.046 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.4 | -42.1 | 177.2 | 168.8 | 67.4 | 0 | 0 | 0 | 112.8 | C6 C9 F13 V18 Q19 R20 K24 T25 W27 H28 | C6-H22 PolarHBondContact SG-NE2 3.45Å; C9-H22 PolarHBondContact SG-CE1 3.37Å; C9-H22 PolarHBondContact SG-NE2 3.23Å; C9-H22 VanDerWaalsContact SG-NE2 3.4Å; F13-H22 HydrophobicContact CE1-CB 4.1Å; F13-H22 HydrophobicContact CE2-CB 4.05Å; F13-H22 AromaticContact CE2-CD2 3.71Å; F13-H22 AromaticContact CE2-CG 3.89Å; F13-H22 HydrophobicContact CZ-CB 3.55Å; F13-H22 AromaticContact CZ-CD2 3.58Å; F13-H22 AromaticContact CZ-CG 3.34Å; F13-H22 AromaticContact CZ-ND1 3.82Å; V18-H22 WeakPolarHBondContact O-CB 3.48Å; V18-H22 PolarHBondContact O-N 3.24Å; Q19-H22 WeakPolarHBondContact O-CB 3.18Å; Q19-H22 PolarHBondContact O-N 3.31Å; R20-H22 VanDerWaalsContact C-N 3.35Å; H22-K24 PolarHBondContact O-N 2.86Å; H22-K24 VanDerWaalsContact O-N 3.15Å; H22-T25 WeakPolarHBondContact O-CB 3.47Å; H22-T25 PolarHBondContact O-N 2.83Å; H22-T25 PolarHBondContact O-OG1 3.12Å; H22-W27 AromaticContact CE1-CE3 3.24Å; H22-W27 AromaticContact CE1-CZ3 3.29Å; H22-W27 WeakPolarHBondContact CE1-CZ3 3.41Å; H22-W27 AromaticContact ND1-CE3 3.54Å; H22-W27 AromaticContact ND1-CZ3 3.68Å; H22-H28 AromaticContact CD2-ND1 3.68Å; H22-H28 AromaticContact CE1-ND1 3.83Å; H22-H28 AromaticContact NE2-CG 3.78Å; H22-H28 AromaticContact NE2-ND1 3.07Å; H22-H28 PolarHBondContact NE2-ND1 3.17Å; H22-H28 WeakPolarHBondContact O-CB 3.32Å |
| 23 | Y | 86.9 | Confident | 86.2 | Confident | 102 Ų | 102 | 77.6 Ų | 77.6 | 40% | 0.4 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.2 | -24.2 | 177.6 | -75.4 | -63.4 | 0 | 0 | 0 | 113.9 | Q19 R20 A21 H28 | Q19-Y23 HydrophobicContact CG-CD2 4.38Å; Q19-Y23 HydrophobicContact CG-CE2 3.76Å; Q19-Y23 WeakPolarHBondContact O-CD2 3.39Å; Q19-Y23 PolarHBondContact O-N 3.08Å; R20-Y23 PolarHBondContact O-N 2.92Å; A21-Y23 VanDerWaalsContact C-N 3.34Å; A21-Y23 PolarHBondContact O-N 2.78Å; Y23-H28 AromaticContact CD1-CD2 3.72Å; Y23-H28 AromaticContact CD1-CE1 3.4Å; Y23-H28 VanDerWaalsContact CD1-CE1 3.4Å; Y23-H28 WeakPolarHBondContact CD1-CE1 3.19Å; Y23-H28 AromaticContact CD1-ND1 3.89Å; Y23-H28 AromaticContact CD1-NE2 3.3Å; Y23-H28 VanDerWaalsContact CD1-NE2 3.3Å; Y23-H28 WeakPolarHBondContact CD1-NE2 3.36Å; Y23-H28 AromaticContact CE1-CE1 3.39Å; Y23-H28 WeakPolarHBondContact CE1-CE1 3.47Å; Y23-H28 AromaticContact CE1-NE2 3.62Å |
| 24 | K | 89.3 | Confident | 86.1 | Confident | 163 Ų | 163 | 78.1 Ų | 78.1 | 71% | 0.709 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -84.6 | -17.5 | 176.1 | -61.7 | -178.1 | -179.5 | -177.2 | 0 | 113.3 | A21 H22 | A21-K24 WeakPolarHBondContact O-CB 3.39Å; A21-K24 PolarHBondContact O-N 3.49Å; H22-K24 PolarHBondContact O-N 2.86Å; H22-K24 VanDerWaalsContact O-N 3.15Å |
| 25 | T | 87.6 | Confident | 86.2 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 36% | 0.362 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -70.7 | 147.3 | -177.3 | 65.5 | 0 | 0 | 0 | 0 | 112.8 | A21 H22 W27 H28 R29 | A21-T25 PolarHBondContact O-N 3.14Å; H22-T25 WeakPolarHBondContact O-CB 3.47Å; H22-T25 PolarHBondContact O-N 2.83Å; H22-T25 PolarHBondContact O-OG1 3.12Å; T25-W27 PolarHBondContact O-N 3.25Å; T25-H28 PolarHBondContact O-N 2.93Å; T25-H28 VanDerWaalsContact O-N 3.12Å; T25-H28 PolarHBondContact OG1-N 3.09Å; T25-R29 PolarHBondContact O-N 3.38Å |
| 26 | D | 84.2 | Confident | 86.1 | Confident | 105 Ų | 105 | 80.2 Ų | 80.2 | 56% | 0.561 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.1 | -25.3 | 176.9 | -67 | -34.5 | 0 | 0 | 0 | 112.8 | R29 Y30 F47 | D26-R29 PolarHBondContact O-N 3.03Å; D26-R29 IonicContact OD1-NH1 2.76Å; D26-R29 PolarHBondContact OD1-NH1 2.78Å; D26-Y30 WeakPolarHBondContact O-CB 2.99Å; D26-Y30 PolarHBondContact O-N 3.49Å; D26-F47 HydrophobicContact CB-CZ 4.16Å |
| 27 | W | 86.8 | Confident | 86.1 | Confident | 35 Ų | 35 | 82 Ų | 82 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 173.2 | -179.4 | 54.5 | 0 | 0 | 0 | 112.4 | C9 V11 H22 T25 Y30 N31 V42 A44 F47 | C9-W27 HydrophobicContact CB-CH2 3.73Å; C9-W27 HydrophobicContact CB-CZ2 4.05Å; C9-W27 HydrophobicContact CB-CZ3 3.98Å; V11-W27 HydrophobicContact CG2-CH2 3.28Å; V11-W27 HydrophobicContact CG2-CZ2 4.38Å; V11-W27 HydrophobicContact CG2-CZ3 3.76Å; H22-W27 AromaticContact CE1-CE3 3.24Å; H22-W27 AromaticContact CE1-CZ3 3.29Å; H22-W27 WeakPolarHBondContact CE1-CZ3 3.41Å; H22-W27 AromaticContact ND1-CE3 3.54Å; H22-W27 AromaticContact ND1-CZ3 3.68Å; T25-W27 PolarHBondContact O-N 3.25Å; W27-Y30 PolarHBondContact O-N 2.85Å; W27-N31 VanDerWaalsContact CE2-ND2 3.35Å; W27-N31 PolarHBondContact NE1-ND2 2.91Å; W27-N31 VanDerWaalsContact NE1-ND2 3.1Å; W27-N31 PolarHBondContact O-N 3.24Å; W27-V42 PolarHBondContact NE1-O 3.38Å; W27-A44 HydrophobicContact CD2-CB 4.47Å; W27-A44 HydrophobicContact CH2-CB 4.26Å; W27-A44 HydrophobicContact CZ2-CB 4.05Å; W27-F47 HydrophobicContact CB-CD1 3.82Å; W27-F47 HydrophobicContact CB-CE1 3.85Å; W27-F47 HydrophobicContact CB-CG 4.38Å; W27-F47 HydrophobicContact CB-CZ 4.43Å; W27-F47 AromaticContact CD1-CD1 3.74Å; W27-F47 AromaticContact CD1-CG 3.5Å; W27-F47 VanDerWaalsContact CD1-CG 3.5Å; W27-F47 HydrophobicContact CG-CD1 4.09Å; W27-F47 HydrophobicContact CG-CG 4.29Å |
| 28 | H | 85.7 | Confident | 85.9 | Confident | 13 Ų | 13 | 82.7 Ų | 82.7 | 6% | 0.06 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 175.7 | -175.7 | 77.4 | 0 | 0 | 0 | 111.4 | C6 H22 Y23 T25 Y30 N31 L32 | C6-H28 PolarHBondContact SG-CE1 2.78Å; C6-H28 PolarHBondContact SG-ND1 3.25Å; H22-H28 AromaticContact CD2-ND1 3.68Å; H22-H28 AromaticContact CE1-ND1 3.83Å; H22-H28 AromaticContact NE2-CG 3.78Å; H22-H28 AromaticContact NE2-ND1 3.07Å; H22-H28 PolarHBondContact NE2-ND1 3.17Å; H22-H28 WeakPolarHBondContact O-CB 3.32Å; Y23-H28 AromaticContact CD1-CD2 3.72Å; Y23-H28 AromaticContact CD1-CE1 3.4Å; Y23-H28 VanDerWaalsContact CD1-CE1 3.4Å; Y23-H28 WeakPolarHBondContact CD1-CE1 3.19Å; Y23-H28 AromaticContact CD1-ND1 3.89Å; Y23-H28 AromaticContact CD1-NE2 3.3Å; Y23-H28 VanDerWaalsContact CD1-NE2 3.3Å; Y23-H28 WeakPolarHBondContact CD1-NE2 3.36Å; Y23-H28 AromaticContact CE1-CE1 3.39Å; Y23-H28 WeakPolarHBondContact CE1-CE1 3.47Å; Y23-H28 AromaticContact CE1-NE2 3.62Å; T25-H28 PolarHBondContact O-N 2.93Å; T25-H28 VanDerWaalsContact O-N 3.12Å; T25-H28 PolarHBondContact OG1-N 3.09Å; H28-Y30 VanDerWaalsContact C-N 3.3Å; H28-Y30 PolarHBondContact O-N 3.18Å; H28-N31 PolarHBondContact O-N 2.99Å; H28-L32 VanDerWaalsContact O-CB 3.31Å; H28-L32 WeakPolarHBondContact O-CB 3.4Å; H28-L32 PolarHBondContact O-N 3.43Å |
| 29 | R | 87.4 | Confident | 85.5 | Confident | 134 Ų | 134 | 83.6 Ų | 83.6 | 51% | 0.506 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 177.4 | -66.3 | 173 | 173.9 | 171.2 | -5.8 | 111.9 | T25 D26 L32 K33 | T25-R29 PolarHBondContact O-N 3.38Å; D26-R29 PolarHBondContact O-N 3.03Å; D26-R29 IonicContact OD1-NH1 2.76Å; D26-R29 PolarHBondContact OD1-NH1 2.78Å; R29-L32 PolarHBondContact O-N 3.33Å; R29-K33 WeakPolarHBondContact O-CG 3.46Å; R29-K33 PolarHBondContact O-N 2.67Å |
| 30 | Y | 84.2 | Confident | 85.4 | Confident | 73 Ų | 73 | 86.5 Ų | 86.5 | 29% | 0.286 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 177.7 | -177.3 | -104.4 | 0 | 0 | 0 | 112 | D26 W27 H28 L32 K33 R34 V42 F47 | D26-Y30 WeakPolarHBondContact O-CB 2.99Å; D26-Y30 PolarHBondContact O-N 3.49Å; W27-Y30 PolarHBondContact O-N 2.85Å; H28-Y30 VanDerWaalsContact C-N 3.3Å; H28-Y30 PolarHBondContact O-N 3.18Å; Y30-L32 VanDerWaalsContact C-N 3.33Å; Y30-L32 PolarHBondContact O-N 3.1Å; Y30-K33 PolarHBondContact O-N 3.28Å; Y30-R34 HydrophobicContact CE1-CG 4.34Å; Y30-R34 WeakPolarHBondContact O-CG 3.45Å; Y30-R34 PolarHBondContact O-N 3.37Å; Y30-R34 PolarHBondContact OH-NH1 3.48Å; Y30-V42 HydrophobicContact CE1-CB 4.31Å; Y30-V42 HydrophobicContact CE1-CG2 4.08Å; Y30-F47 AromaticContact CD1-CD2 3.66Å; Y30-F47 HydrophobicContact CD1-CD2 3.66Å; Y30-F47 AromaticContact CD1-CE2 3.89Å; Y30-F47 HydrophobicContact CD1-CE2 3.89Å; Y30-F47 HydrophobicContact CD2-CE2 4.23Å; Y30-F47 HydrophobicContact CE1-CD2 4.16Å; Y30-F47 AromaticContact CG-CD2 3.96Å; Y30-F47 HydrophobicContact CG-CD2 3.96Å; Y30-F47 AromaticContact CG-CE2 3.68Å; Y30-F47 HydrophobicContact CG-CE2 3.68Å |
| 31 | N | 85.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.5 | -32.5 | 176.9 | -82.9 | -25.1 | 0 | 0 | 0 | 112.9 | W27 H28 R34 K35 V42 | W27-N31 VanDerWaalsContact CE2-ND2 3.35Å; W27-N31 PolarHBondContact NE1-ND2 2.91Å; W27-N31 VanDerWaalsContact NE1-ND2 3.1Å; W27-N31 PolarHBondContact O-N 3.24Å; H28-N31 PolarHBondContact O-N 2.99Å; N31-R34 PolarHBondContact O-N 3.15Å; N31-K35 WeakPolarHBondContact O-CB 3.19Å; N31-K35 PolarHBondContact O-N 3.44Å; N31-V42 PolarHBondContact ND2-O 3.49Å; N31-V42 PolarHBondContact OD1-N 3.39Å; N31-V42 PolarHBondContact OD1-O 3.1Å |
| 32 | L | 85.6 | Confident | 85.1 | Confident | 77 Ų | 77 | 78.9 Ų | 78.9 | 40% | 0.403 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 172.9 | -173 | 67 | 0 | 0 | 0 | 111.4 | H28 R29 Y30 R34 K35 V36 | H28-L32 VanDerWaalsContact O-CB 3.31Å; H28-L32 WeakPolarHBondContact O-CB 3.4Å; H28-L32 PolarHBondContact O-N 3.43Å; R29-L32 PolarHBondContact O-N 3.33Å; Y30-L32 VanDerWaalsContact C-N 3.33Å; Y30-L32 PolarHBondContact O-N 3.1Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.42Å; L32-K35 WeakPolarHBondContact O-CB 3.35Å; L32-K35 PolarHBondContact O-N 2.77Å; L32-V36 WeakPolarHBondContact O-CG2 3.28Å; L32-V36 PolarHBondContact O-N 2.75Å |
| 33 | K | 84.4 | Confident | 85 | Confident | 160 Ų | 160 | 82 Ų | 82 | 70% | 0.696 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.8 | -38.8 | 174.9 | -73.9 | 177.5 | -178.8 | -179.2 | 0 | 112.3 | R29 Y30 V36 A37 | R29-K33 WeakPolarHBondContact O-CG 3.46Å; R29-K33 PolarHBondContact O-N 2.67Å; Y30-K33 PolarHBondContact O-N 3.28Å; K33-V36 PolarHBondContact O-N 3.45Å; K33-A37 PolarHBondContact O-N 3.27Å |
| 34 | R | 85.6 | Confident | 84.7 | Confident | 44 Ų | 44 | 79 Ų | 79 | 17% | 0.166 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.2 | -39 | 175 | -71.4 | 179.7 | 68.2 | 105.9 | 2.2 | 112.4 | Y30 N31 L32 A37 D38 M39 P40 | Y30-R34 HydrophobicContact CE1-CG 4.34Å; Y30-R34 WeakPolarHBondContact O-CG 3.45Å; Y30-R34 PolarHBondContact O-N 3.37Å; Y30-R34 PolarHBondContact OH-NH1 3.48Å; N31-R34 PolarHBondContact O-N 3.15Å; L32-R34 VanDerWaalsContact C-N 3.31Å; L32-R34 PolarHBondContact O-N 3.42Å; R34-A37 CarbonylContact O-C 3.58Å; R34-A37 PolarHBondContact O-N 2.95Å; R34-A37 VanDerWaalsContact O-N 3.14Å; R34-D38 PolarHBondContact O-N 2.86Å; R34-M39 HydrophobicContact CB-CB 4.15Å; R34-M39 HydrophobicContact CG-CE 4.49Å; R34-M39 PolarHBondContact O-N 2.95Å; R34-P40 PolarHBondContact NE-O 3.22Å; R34-P40 PolarHBondContact NH2-O 3.17Å |
| 35 | K | 83.4 | Confident | 84.4 | Confident | 105 Ų | 105 | 78.4 Ų | 78.4 | 46% | 0.457 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 175.5 | -170.7 | -177.2 | -179.6 | -174.6 | 0 | 112.2 | N31 L32 A37 D38 | N31-K35 WeakPolarHBondContact O-CB 3.19Å; N31-K35 PolarHBondContact O-N 3.44Å; L32-K35 WeakPolarHBondContact O-CB 3.35Å; L32-K35 PolarHBondContact O-N 2.77Å; K35-A37 PolarHBondContact O-N 3.29Å; K35-D38 PolarHBondContact O-N 3.08Å |
| 36 | V | 86.5 | Confident | 84.2 | Confident | 120 Ų | 120 | 79.2 Ų | 79.2 | 73% | 0.727 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.5 | -28 | 173.6 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | L32 K33 | L32-V36 WeakPolarHBondContact O-CG2 3.28Å; L32-V36 PolarHBondContact O-N 2.75Å; K33-V36 PolarHBondContact O-N 3.45Å |
| 37 | A | 83.4 | Confident | 84.1 | Confident | 54 Ų | 54 | 75.9 Ų | 75.9 | 45% | 0.446 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 17.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K33 R34 K35 M39 | K33-A37 PolarHBondContact O-N 3.27Å; R34-A37 CarbonylContact O-C 3.58Å; R34-A37 PolarHBondContact O-N 2.95Å; R34-A37 VanDerWaalsContact O-N 3.14Å; K35-A37 PolarHBondContact O-N 3.29Å; A37-M39 HydrophobicContact CB-CE 3.59Å; A37-M39 PolarHBondContact O-N 3.37Å |
| 38 | D | 81.5 | Confident | 83.9 | Confident | 157 Ų | 157 | 80.2 Ų | 80.2 | 84% | 0.84 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 23.9 | -179.2 | -64.1 | -42.3 | 0 | 0 | 0 | 115.5 | R34 K35 | R34-D38 PolarHBondContact O-N 2.86Å; K35-D38 PolarHBondContact O-N 3.08Å |
| 39 | M | 78.5 | Confident | 83.8 | Confident | 90 Ų | 90 | 85.9 Ų | 85.9 | 44% | 0.443 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 145.7 | 177.6 | -73.8 | -174.1 | -82.5 | 0 | 0 | 112 | R34 A37 | R34-M39 HydrophobicContact CB-CB 4.15Å; R34-M39 HydrophobicContact CG-CE 4.49Å; R34-M39 PolarHBondContact O-N 2.95Å; A37-M39 HydrophobicContact CB-CE 3.59Å; A37-M39 PolarHBondContact O-N 3.37Å |
| 40 | P | 83.1 | Confident | 83.3 | Confident | 96 Ų | 96 | 86.3 Ų | 86.3 | 62% | 0.623 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 143.2 | 175.6 | -25 | 33.4 | 0 | 0 | 0 | 112.9 | R34 | R34-P40 PolarHBondContact NE-O 3.22Å; R34-P40 PolarHBondContact NH2-O 3.17Å |
| 41 | P | 82.8 | Confident | 83.3 | Confident | 43 Ų | 43 | 84.6 Ų | 84.6 | 28% | 0.279 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 146.4 | 177.1 | 29.5 | -34.1 | 0 | 0 | 0 | 111 | ||
| 42 | V | 85.9 | Confident | 83.1 | Confident | 15 Ų | 15 | 89.9 Ų | 89.9 | 9% | 0.091 | 47% | 0.466 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 136.2 | -178.3 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | W27 Y30 N31 N46 F47 | W27-V42 PolarHBondContact NE1-O 3.38Å; Y30-V42 HydrophobicContact CE1-CB 4.31Å; Y30-V42 HydrophobicContact CE1-CG2 4.08Å; N31-V42 PolarHBondContact ND2-O 3.49Å; N31-V42 PolarHBondContact OD1-N 3.39Å; N31-V42 PolarHBondContact OD1-O 3.1Å; V42-N46 HydrophobicContact CG1-CB 3.51Å; V42-F47 HydrophobicContact CG1-CB 4.47Å |
| 43 | T | 86.2 | Confident | 82.9 | Confident | 76 Ų | 76 | 89.1 Ų | 89.1 | 47% | 0.466 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -64 | 159.2 | 175.6 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | E45 N46 F47 | T43-E45 VanDerWaalsContact C-N 3.33Å; T43-E45 PolarHBondContact O-N 2.87Å; T43-N46 PolarHBondContact O-N 2.97Å; T43-N46 WeakPolarHBondContact OG1-CB 3.43Å; T43-N46 VanDerWaalsContact OG1-CG 3.31Å; T43-N46 PolarHBondContact OG1-ND2 3.04Å; T43-N46 VanDerWaalsContact OG1-ND2 3.07Å; T43-F47 PolarHBondContact O-N 3.43Å; T43-F47 VanDerWaalsContact O-N 3.14Å |
| 44 | A | 81.2 | Confident | 82.6 | Confident | 40 Ų | 40 | 88 Ų | 88 | 33% | 0.331 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W27 F47 Q48 | W27-A44 HydrophobicContact CD2-CB 4.47Å; W27-A44 HydrophobicContact CH2-CB 4.26Å; W27-A44 HydrophobicContact CZ2-CB 4.05Å; A44-F47 PolarHBondContact O-N 3.15Å; A44-Q48 WeakPolarHBondContact O-CG 3.18Å; A44-Q48 PolarHBondContact O-N 2.88Å |
| 45 | E | 83.4 | Confident | 82.2 | Confident | 150 Ų | 150 | 93.4 Ų | 93.4 | 70% | 0.701 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.1 | -48.9 | 179.1 | -63.8 | 171.6 | -175.8 | 0 | 0 | 111.8 | T43 F47 Q48 E49 | T43-E45 VanDerWaalsContact C-N 3.33Å; T43-E45 PolarHBondContact O-N 2.87Å; E45-F47 VanDerWaalsContact C-N 3.25Å; E45-F47 PolarHBondContact O-N 3.41Å; E45-Q48 PolarHBondContact O-N 3.42Å; E45-E49 PolarHBondContact O-N 2.71Å |
| 46 | N | 82.4 | Confident | 82.1 | Confident | 75 Ų | 75 | 90.6 Ų | 90.6 | 40% | 0.401 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.4 | -29.1 | 178.4 | -74.1 | -18.2 | 0 | 0 | 0 | 112.7 | V42 T43 R50 | V42-N46 HydrophobicContact CG1-CB 3.51Å; T43-N46 PolarHBondContact O-N 2.97Å; T43-N46 WeakPolarHBondContact OG1-CB 3.43Å; T43-N46 VanDerWaalsContact OG1-CG 3.31Å; T43-N46 PolarHBondContact OG1-ND2 3.04Å; T43-N46 VanDerWaalsContact OG1-ND2 3.07Å; N46-R50 WeakPolarHBondContact O-CD 3.06Å; N46-R50 WeakPolarHBondContact O-CG 3.19Å; N46-R50 PolarHBondContact O-N 2.93Å |
| 47 | F | 82.9 | Confident | 81.7 | Confident | 36 Ų | 36 | 87 Ų | 87 | 16% | 0.158 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -71.4 | -44.3 | 174.5 | 178.2 | -103.7 | 0 | 0 | 0 | 111 | D26 W27 Y30 V42 T43 A44 E45 R50 V51 | D26-F47 HydrophobicContact CB-CZ 4.16Å; W27-F47 HydrophobicContact CB-CD1 3.82Å; W27-F47 HydrophobicContact CB-CE1 3.85Å; W27-F47 HydrophobicContact CB-CG 4.38Å; W27-F47 HydrophobicContact CB-CZ 4.43Å; W27-F47 AromaticContact CD1-CD1 3.74Å; W27-F47 AromaticContact CD1-CG 3.5Å; W27-F47 VanDerWaalsContact CD1-CG 3.5Å; W27-F47 HydrophobicContact CG-CD1 4.09Å; W27-F47 HydrophobicContact CG-CG 4.29Å; Y30-F47 AromaticContact CD1-CD2 3.66Å; Y30-F47 HydrophobicContact CD1-CD2 3.66Å; Y30-F47 AromaticContact CD1-CE2 3.89Å; Y30-F47 HydrophobicContact CD1-CE2 3.89Å; Y30-F47 HydrophobicContact CD2-CE2 4.23Å; Y30-F47 HydrophobicContact CE1-CD2 4.16Å; Y30-F47 AromaticContact CG-CD2 3.96Å; Y30-F47 HydrophobicContact CG-CD2 3.96Å; Y30-F47 AromaticContact CG-CE2 3.68Å; Y30-F47 HydrophobicContact CG-CE2 3.68Å; V42-F47 HydrophobicContact CG1-CB 4.47Å; T43-F47 PolarHBondContact O-N 3.43Å; T43-F47 VanDerWaalsContact O-N 3.14Å; A44-F47 PolarHBondContact O-N 3.15Å; E45-F47 VanDerWaalsContact C-N 3.25Å; E45-F47 PolarHBondContact O-N 3.41Å; F47-R50 PolarHBondContact O-N 3.11Å; F47-V51 HydrophobicContact CD1-CG2 4.31Å; F47-V51 HydrophobicContact CE1-CG2 3.95Å; F47-V51 HydrophobicContact CE2-CG2 4.26Å; F47-V51 HydrophobicContact CZ-CG2 3.92Å; F47-V51 WeakPolarHBondContact O-CG2 3.2Å; F47-V51 PolarHBondContact O-N 2.94Å |
| 48 | Q | 81.5 | Confident | 81.2 | Confident | 125 Ų | 125 | 87.3 Ų | 87.3 | 58% | 0.584 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.8 | -44.2 | 176.7 | -72.2 | 173.3 | -15.4 | 0 | 0 | 111.7 | A44 E45 R50 V51 L52 | A44-Q48 WeakPolarHBondContact O-CG 3.18Å; A44-Q48 PolarHBondContact O-N 2.88Å; E45-Q48 PolarHBondContact O-N 3.42Å; Q48-R50 VanDerWaalsContact C-N 3.31Å; Q48-R50 PolarHBondContact O-N 3.21Å; Q48-V51 PolarHBondContact O-N 2.93Å; Q48-L52 WeakPolarHBondContact O-CG 3.48Å; Q48-L52 PolarHBondContact O-N 3.26Å |
| 49 | E | 83.3 | Confident | 80.9 | Confident | 132 Ų | 132 | 84.3 Ų | 84.3 | 62% | 0.617 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60 | -41.5 | 177 | -167.6 | -178.3 | -167.6 | 0 | 0 | 111.9 | E45 L52 A53 | E45-E49 PolarHBondContact O-N 2.71Å; E49-L52 PolarHBondContact O-N 3.41Å; E49-A53 WeakPolarHBondContact O-CB 3.44Å; E49-A53 PolarHBondContact O-N 3.43Å |
| 50 | R | 77.8 | Confident | 80.6 | Confident | 144 Ų | 144 | 86 Ų | 86 | 54% | 0.543 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 175.6 | -74 | 170.1 | -177.5 | -97.9 | -3.8 | 112.7 | N46 F47 Q48 A53 Q54 | N46-R50 WeakPolarHBondContact O-CD 3.06Å; N46-R50 WeakPolarHBondContact O-CG 3.19Å; N46-R50 PolarHBondContact O-N 2.93Å; F47-R50 PolarHBondContact O-N 3.11Å; Q48-R50 VanDerWaalsContact C-N 3.31Å; Q48-R50 PolarHBondContact O-N 3.21Å; R50-A53 PolarHBondContact O-N 3.36Å; R50-Q54 WeakPolarHBondContact O-CB 3.08Å; R50-Q54 PolarHBondContact O-N 3.18Å |
| 51 | V | 83.8 | Confident | 79.8 | Confident | 37 Ų | 37 | 88 Ų | 88 | 22% | 0.224 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -66 | -42.3 | 177 | 171 | 0 | 0 | 0 | 0 | 110.6 | F47 Q48 Q54 R55 | F47-V51 HydrophobicContact CD1-CG2 4.31Å; F47-V51 HydrophobicContact CE1-CG2 3.95Å; F47-V51 HydrophobicContact CE2-CG2 4.26Å; F47-V51 HydrophobicContact CZ-CG2 3.92Å; F47-V51 WeakPolarHBondContact O-CG2 3.2Å; F47-V51 PolarHBondContact O-N 2.94Å; Q48-V51 PolarHBondContact O-N 2.93Å; V51-Q54 PolarHBondContact O-N 2.98Å; V51-R55 WeakPolarHBondContact O-CG 3.42Å; V51-R55 PolarHBondContact O-N 3.42Å |
| 52 | L | 81.2 | Confident | 79 | Confident | 111 Ų | 111 | 91.6 Ų | 91.6 | 58% | 0.581 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 175.7 | -69.9 | 174.7 | 0 | 0 | 0 | 111.8 | Q48 E49 Q54 R55 A56 | Q48-L52 WeakPolarHBondContact O-CG 3.48Å; Q48-L52 PolarHBondContact O-N 3.26Å; E49-L52 PolarHBondContact O-N 3.41Å; L52-Q54 VanDerWaalsContact C-N 3.31Å; L52-Q54 PolarHBondContact O-N 3.04Å; L52-R55 PolarHBondContact O-N 2.84Å; L52-A56 WeakPolarHBondContact O-CB 3.44Å; L52-A56 PolarHBondContact O-N 3.09Å |
| 53 | A | 81.4 | Confident | 77.9 | Confident | 61 Ų | 61 | 95.3 Ų | 95.3 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E49 R50 A57 | E49-A53 WeakPolarHBondContact O-CB 3.44Å; E49-A53 PolarHBondContact O-N 3.43Å; R50-A53 PolarHBondContact O-N 3.36Å; A53-A57 WeakPolarHBondContact O-CB 3.42Å; A53-A57 PolarHBondContact O-N 2.92Å |
| 54 | Q | 78.6 | Confident | 76.6 | Confident | 138 Ų | 138 | 98.1 Ų | 98.1 | 65% | 0.645 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.1 | -42.1 | 176.9 | -171.3 | 174.8 | 1.6 | 0 | 0 | 111.9 | R50 V51 L52 A57 T58 | R50-Q54 WeakPolarHBondContact O-CB 3.08Å; R50-Q54 PolarHBondContact O-N 3.18Å; V51-Q54 PolarHBondContact O-N 2.98Å; L52-Q54 VanDerWaalsContact C-N 3.31Å; L52-Q54 PolarHBondContact O-N 3.04Å; Q54-A57 PolarHBondContact O-N 2.95Å; Q54-T58 WeakPolarHBondContact O-CG2 3.46Å; Q54-T58 PolarHBondContact O-N 3.02Å; Q54-T58 PolarHBondContact O-OG1 2.91Å |
| 55 | R | 78.1 | Confident | 75.4 | Confident | 157 Ų | 157 | 99.2 Ų | 99.2 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -43.7 | 175.2 | -72.3 | 176.3 | -178 | -175.8 | -0.1 | 112 | V51 L52 A57 T58 D59 | V51-R55 WeakPolarHBondContact O-CG 3.42Å; V51-R55 PolarHBondContact O-N 3.42Å; L52-R55 PolarHBondContact O-N 2.84Å; R55-A57 VanDerWaalsContact C-N 3.29Å; R55-A57 PolarHBondContact O-N 3.08Å; R55-T58 WeakPolarHBondContact CA-OG1 3.2Å; R55-T58 PolarHBondContact O-N 2.95Å; R55-T58 PolarHBondContact O-OG1 2.98Å; R55-D59 VanDerWaalsContact O-CG 3.24Å; R55-D59 PolarHBondContact O-N 3.28Å |
| 56 | A | 80.6 | Confident | 74.2 | Confident | 46 Ų | 46 | 95.9 Ų | 95.9 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L52 D59 Q60 | L52-A56 WeakPolarHBondContact O-CB 3.44Å; L52-A56 PolarHBondContact O-N 3.09Å; A56-D59 PolarHBondContact O-N 2.81Å; A56-Q60 WeakPolarHBondContact O-CB 3.32Å; A56-Q60 VanDerWaalsContact O-CG 3.28Å; A56-Q60 WeakPolarHBondContact O-CG 3.31Å; A56-Q60 PolarHBondContact O-N 3.02Å |
| 57 | A | 77.6 | Confident | 73.1 | Confident | 44 Ų | 44 | 94.5 Ų | 94.5 | 36% | 0.364 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A53 Q54 R55 Q61 | A53-A57 WeakPolarHBondContact O-CB 3.42Å; A53-A57 PolarHBondContact O-N 2.92Å; Q54-A57 PolarHBondContact O-N 2.95Å; R55-A57 VanDerWaalsContact C-N 3.29Å; R55-A57 PolarHBondContact O-N 3.08Å; A57-Q61 WeakPolarHBondContact O-CG 3.47Å; A57-Q61 PolarHBondContact O-N 2.93Å; A57-Q61 VanDerWaalsContact O-N 3.1Å |
| 58 | T | 72.6 | Confident | 72.2 | Confident | 61 Ų | 61 | 97.8 Ų | 97.8 | 37% | 0.374 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.8 | -39.3 | 176 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | Q54 R55 Q60 Q61 L62 | Q54-T58 WeakPolarHBondContact O-CG2 3.46Å; Q54-T58 PolarHBondContact O-N 3.02Å; Q54-T58 PolarHBondContact O-OG1 2.91Å; R55-T58 WeakPolarHBondContact CA-OG1 3.2Å; R55-T58 PolarHBondContact O-N 2.95Å; R55-T58 PolarHBondContact O-OG1 2.98Å; T58-Q60 PolarHBondContact O-N 2.91Å; T58-Q61 WeakPolarHBondContact O-CB 3.35Å; T58-Q61 PolarHBondContact O-N 3.33Å; T58-Q61 VanDerWaalsContact O-N 3.15Å; T58-L62 WeakPolarHBondContact O-CG 3.19Å; T58-L62 PolarHBondContact O-N 3.5Å |
| 59 | D | 75.1 | Confident | 71.7 | Confident | 94 Ų | 94 | 95.4 Ų | 95.4 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.2 | -37.9 | 178.4 | -66.6 | -13.1 | 0 | 0 | 0 | 111.5 | R55 A56 Q61 L62 T63 | R55-D59 VanDerWaalsContact O-CG 3.24Å; R55-D59 PolarHBondContact O-N 3.28Å; A56-D59 PolarHBondContact O-N 2.81Å; D59-Q61 VanDerWaalsContact C-N 3.34Å; D59-Q61 PolarHBondContact O-N 2.77Å; D59-L62 PolarHBondContact O-N 3.46Å; D59-T63 WeakPolarHBondContact O-CG2 3.49Å; D59-T63 PolarHBondContact O-N 2.88Å; D59-T63 PolarHBondContact O-OG1 2.95Å |
| 60 | Q | 72.3 | Confident | 71.6 | Confident | 126 Ų | 126 | 92.7 Ų | 92.7 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 170.7 | -73.6 | 175.5 | 4.9 | 0 | 0 | 111.8 | A56 T58 T63 H64 | A56-Q60 WeakPolarHBondContact O-CB 3.32Å; A56-Q60 VanDerWaalsContact O-CG 3.28Å; A56-Q60 WeakPolarHBondContact O-CG 3.31Å; A56-Q60 PolarHBondContact O-N 3.02Å; T58-Q60 PolarHBondContact O-N 2.91Å; Q60-T63 WeakPolarHBondContact CA-OG1 3.28Å; Q60-T63 PolarHBondContact O-OG1 3.12Å; Q60-H64 WeakPolarHBondContact O-CB 3.25Å; Q60-H64 PolarHBondContact O-CD2 3.2Å; Q60-H64 PolarHBondContact O-N 3.07Å |
| 61 | Q | 66.4 | Low | 71.9 | Confident | 138 Ų | 138 | 86 Ų | 86 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.2 | -38.4 | 176 | -73.2 | 174.4 | 0.6 | 0 | 0 | 112.7 | A57 T58 D59 A65 | A57-Q61 WeakPolarHBondContact O-CG 3.47Å; A57-Q61 PolarHBondContact O-N 2.93Å; A57-Q61 VanDerWaalsContact O-N 3.1Å; T58-Q61 WeakPolarHBondContact O-CB 3.35Å; T58-Q61 PolarHBondContact O-N 3.33Å; T58-Q61 VanDerWaalsContact O-N 3.15Å; D59-Q61 VanDerWaalsContact C-N 3.34Å; D59-Q61 PolarHBondContact O-N 2.77Å; Q61-A65 WeakPolarHBondContact O-CB 3.41Å; Q61-A65 PolarHBondContact O-N 3.38Å |
| 62 | L | 66 | Low | 71.5 | Confident | 117 Ų | 117 | 87.4 Ų | 87.4 | 61% | 0.613 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.6 | -41.2 | 177.6 | -70.8 | 171.8 | 0 | 0 | 0 | 112 | T58 D59 A65 A66 | T58-L62 WeakPolarHBondContact O-CG 3.19Å; T58-L62 PolarHBondContact O-N 3.5Å; D59-L62 PolarHBondContact O-N 3.46Å; L62-A65 PolarHBondContact O-N 3.44Å; L62-A66 PolarHBondContact O-N 3.48Å; L62-A66 VanDerWaalsContact O-N 3.13Å |
| 63 | T | 63.6 | Low | 71.4 | Confident | 94 Ų | 94 | 85.3 Ų | 85.3 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.7 | -39.1 | 175 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | D59 Q60 A65 A66 A67 | D59-T63 WeakPolarHBondContact O-CG2 3.49Å; D59-T63 PolarHBondContact O-N 2.88Å; D59-T63 PolarHBondContact O-OG1 2.95Å; Q60-T63 WeakPolarHBondContact CA-OG1 3.28Å; Q60-T63 PolarHBondContact O-OG1 3.12Å; T63-A65 VanDerWaalsContact C-N 3.3Å; T63-A65 PolarHBondContact O-N 3.15Å; T63-A66 PolarHBondContact O-N 2.76Å; T63-A67 PolarHBondContact O-N 2.79Å |
| 64 | H | 59.1 | Low | 71.3 | Confident | 134 Ų | 134 | 83.8 Ų | 83.8 | 62% | 0.62 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.1 | -27.6 | 172.6 | -83.3 | -67.3 | 0 | 0 | 0 | 113.8 | Q60 | Q60-H64 WeakPolarHBondContact O-CB 3.25Å; Q60-H64 PolarHBondContact O-CD2 3.2Å; Q60-H64 PolarHBondContact O-N 3.07Å |
| 65 | A | 56.1 | Low | 71.1 | Confident | 64 Ų | 64 | 82.3 Ų | 82.3 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -79 | -24.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q61 L62 T63 | Q61-A65 WeakPolarHBondContact O-CB 3.41Å; Q61-A65 PolarHBondContact O-N 3.38Å; L62-A65 PolarHBondContact O-N 3.44Å; T63-A65 VanDerWaalsContact C-N 3.3Å; T63-A65 PolarHBondContact O-N 3.15Å |
| 66 | A | 57.3 | Low | 71.2 | Confident | 79 Ų | 79 | 80.2 Ų | 80.2 | 65% | 0.653 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -82.7 | -16.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L62 T63 T68 | L62-A66 PolarHBondContact O-N 3.48Å; L62-A66 VanDerWaalsContact O-N 3.13Å; T63-A66 PolarHBondContact O-N 2.76Å; A66-T68 PolarHBondContact O-N 2.93Å |
| 67 | A | 59.3 | Low | 71.3 | Confident | 46 Ų | 46 | 86.3 Ų | 86.3 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | trans | -77.2 | 89.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T63 E69 | T63-A67 PolarHBondContact O-N 2.79Å; A67-E69 PolarHBondContact O-N 3.2Å; A67-E69 VanDerWaalsContact O-N 3.16Å | ||
| 68 | T | 63.9 | Low | 71.5 | Confident | 106 Ų | 106 | 86.1 Ų | 86.1 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | trans | -75.2 | 98.4 | 169.9 | 49.9 | 0 | 0 | 0 | 0 | 110.6 | A66 F78 | A66-T68 PolarHBondContact O-N 2.93Å; T68-F78 WeakPolarHBondContact CA-O 3.42Å | ||
| 69 | E | 72.4 | Confident | 71.6 | Confident | 74 Ų | 74 | 87.6 Ų | 87.6 | 35% | 0.346 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 136.4 | 176.5 | -65.8 | -179.5 | 171.4 | 0 | 0 | 110.9 | A67 F78 Y84 | A67-E69 PolarHBondContact O-N 3.2Å; A67-E69 VanDerWaalsContact O-N 3.16Å; E69-F78 PolarHBondContact N-O 3.06Å; E69-F78 PolarHBondContact O-N 3.14Å; E69-Y84 HydrophobicContact CB-CD1 4.17Å; E69-Y84 HydrophobicContact CB-CD2 4.35Å; E69-Y84 HydrophobicContact CB-CG 4.01Å; E69-Y84 WeakPolarHBondContact OE2-CD1 3.38Å |
| 70 | S | 80.1 | Confident | 71.8 | Confident | 76 Ų | 76 | 85.4 Ų | 85.4 | 53% | 0.531 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 136 | -177.8 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | K76 | S70-K76 WeakPolarHBondContact CA-O 3.39Å |
| 71 | C | 83.6 | Confident | 72.2 | Confident | 3 Ų | 3 | 80.9 Ų | 80.9 | 2% | 0.02 | 49% | 0.488 | C | S | . | . | trans | -82.1 | 122.1 | 179.9 | 179.2 | 0 | 0 | 0 | 0 | 112 | V73 C74 S75 K76 F78 Y84 H87 H93 | C71-V73 PolarHBondContact O-N 3.4Å; C71-C74 HydrophobicContact CB-CB 4.38Å; C71-C74 PolarHBondContact SG-N 3.36Å; C71-S75 WeakPolarHBondContact O-CA 3.39Å; C71-S75 PolarHBondContact O-N 3.06Å; C71-K76 PolarHBondContact N-O 2.96Å; C71-F78 HydrophobicContact CB-CE2 4.27Å; C71-Y84 HydrophobicContact CB-CE2 3.75Å; C71-H87 WeakPolarHBondContact CB-NE2 3.34Å; C71-H87 PolarHBondContact SG-NE2 3Å; C71-H93 PolarHBondContact SG-CE1 3.36Å | ||
| 72 | G | 76.9 | Confident | 72.9 | Confident | 66 Ų | 66 | 79.5 Ų | 79.5 | 68% | 0.68 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -27.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 73 | V | 79.4 | Confident | 73.6 | Confident | 68 Ų | 68 | 75.8 Ų | 75.8 | 41% | 0.412 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -35.3 | -177.9 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | C71 A96 E97 | C71-V73 PolarHBondContact O-N 3.4Å; V73-A96 HydrophobicContact CG1-CB 4.31Å; V73-E97 HydrophobicContact CB-CG 4.4Å; V73-E97 HydrophobicContact CG1-CG 3.94Å; V73-E97 HydrophobicContact CG2-CG 4.07Å |
| 74 | C | 77.9 | Confident | 74.6 | Confident | 28 Ų | 28 | 73.7 Ų | 73.7 | 19% | 0.189 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -7.5 | -176.7 | -66.6 | 0 | 0 | 0 | 0 | 113.8 | C71 K76 H87 H93 | C71-C74 HydrophobicContact CB-CB 4.38Å; C71-C74 PolarHBondContact SG-N 3.36Å; C74-K76 HydrophobicContact CB-CD 4.42Å; C74-K76 HydrophobicContact CB-CG 4.27Å; C74-K76 PolarHBondContact O-N 3.06Å; C74-H87 WeakPolarHBondContact CB-NE2 3.4Å; C74-H93 PolarHBondContact SG-ND1 3.48Å |
| 75 | S | 75.2 | Confident | 75.8 | Confident | 107 Ų | 107 | 72.4 Ų | 72.4 | 75% | 0.748 | 45% | 0.448 | S | S | * | . | trans | 54.6 | 16.4 | -176.2 | 63.9 | 0 | 0 | 0 | 0 | 115.6 | C71 | C71-S75 WeakPolarHBondContact O-CA 3.39Å; C71-S75 PolarHBondContact O-N 3.06Å | ||
| 76 | K | 80.1 | Confident | 77.2 | Confident | 113 Ų | 113 | 74.5 Ų | 74.5 | 49% | 0.491 | 45% | 0.45 | S | S | . | . | trans | -84.3 | 136.4 | 178.6 | -66 | 179.8 | -174.7 | -177.2 | 0 | 110.2 | S70 C71 C74 F78 | S70-K76 WeakPolarHBondContact CA-O 3.39Å; C71-K76 PolarHBondContact N-O 2.96Å; C74-K76 HydrophobicContact CB-CD 4.42Å; C74-K76 HydrophobicContact CB-CG 4.27Å; C74-K76 PolarHBondContact O-N 3.06Å; K76-F78 HydrophobicContact CB-CD2 4.48Å; K76-F78 HydrophobicContact CB-CE2 3.53Å; K76-F78 HydrophobicContact CB-CZ 3.6Å; K76-F78 HydrophobicContact CD-CZ 4.23Å; K76-F78 WeakPolarHBondContact O-CE2 3.41Å | ||
| 77 | K | 81.7 | Confident | 78.7 | Confident | 175 Ų | 175 | 71.6 Ų | 71.6 | 76% | 0.761 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 134.9 | 175.5 | -58.7 | -177.6 | -179.4 | -176.9 | 0 | 109.4 | ||
| 78 | F | 82.7 | Confident | 80 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 17% | 0.171 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 139.4 | -178.7 | -61.5 | -88.3 | 0 | 0 | 0 | 109.6 | T68 E69 C71 K76 S80 A83 Y84 H87 | T68-F78 WeakPolarHBondContact CA-O 3.42Å; E69-F78 PolarHBondContact N-O 3.06Å; E69-F78 PolarHBondContact O-N 3.14Å; C71-F78 HydrophobicContact CB-CE2 4.27Å; K76-F78 HydrophobicContact CB-CD2 4.48Å; K76-F78 HydrophobicContact CB-CE2 3.53Å; K76-F78 HydrophobicContact CB-CZ 3.6Å; K76-F78 HydrophobicContact CD-CZ 4.23Å; K76-F78 WeakPolarHBondContact O-CE2 3.41Å; F78-S80 VanDerWaalsContact C-N 3.33Å; F78-A83 HydrophobicContact CB-CB 4.46Å; F78-A83 HydrophobicContact CD1-CB 4.17Å; F78-Y84 AromaticContact CD2-CD2 3.6Å; F78-Y84 HydrophobicContact CD2-CD2 3.6Å; F78-Y84 HydrophobicContact CD2-CE2 4.46Å; F78-Y84 HydrophobicContact CD2-CG 4.48Å; F78-Y84 HydrophobicContact CE2-CD2 4.09Å; F78-Y84 HydrophobicContact CG-CD2 4.35Å; F78-H87 HydrophobicContact CD1-CB 4.49Å; F78-H87 HydrophobicContact CE1-CB 3.71Å; F78-H87 AromaticContact CE1-CG 3.97Å; F78-H87 HydrophobicContact CE2-CB 3.92Å; F78-H87 AromaticContact CE2-CD2 3.3Å; F78-H87 WeakPolarHBondContact CE2-CD2 3.4Å; F78-H87 AromaticContact CE2-CG 3.59Å; F78-H87 AromaticContact CE2-NE2 3.94Å; F78-H87 HydrophobicContact CZ-CB 3.38Å; F78-H87 AromaticContact CZ-CD2 3.37Å; F78-H87 WeakPolarHBondContact CZ-CD2 3.4Å; F78-H87 AromaticContact CZ-CG 3.14Å; F78-H87 AromaticContact CZ-ND1 3.65Å; F78-H87 AromaticContact CZ-NE2 3.95Å |
| 79 | S | 74.8 | Confident | 81 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 64% | 0.643 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -87.9 | 0.1 | -179.4 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 80 | S | 79.9 | Confident | 81.9 | Confident | 48 Ų | 48 | 72.7 Ų | 72.7 | 34% | 0.336 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -148.2 | 136.9 | 179.5 | 176 | 0 | 0 | 0 | 0 | 109.9 | F78 N82 A83 Y84 | F78-S80 VanDerWaalsContact C-N 3.33Å; S80-N82 PolarHBondContact O-N 3.43Å; S80-N82 PolarHBondContact OG-N 3.43Å; S80-A83 WeakPolarHBondContact O-CB 3.5Å; S80-A83 PolarHBondContact O-N 2.81Å; S80-Y84 PolarHBondContact O-N 2.97Å |
| 81 | A | 79.6 | Confident | 82.3 | Confident | 31 Ų | 31 | 74.5 Ų | 74.5 | 26% | 0.256 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56 | -36.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A83 Y84 Q85 | A81-A83 PolarHBondContact O-N 3.22Å; A81-Y84 WeakPolarHBondContact O-CB 3.3Å; A81-Y84 PolarHBondContact O-N 2.93Å; A81-Q85 WeakPolarHBondContact O-CG 3.48Å; A81-Q85 PolarHBondContact O-N 3.14Å |
| 82 | N | 80.8 | Confident | 82.3 | Confident | 109 Ų | 109 | 82.1 Ų | 82.1 | 58% | 0.583 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67 | -37.2 | 176.7 | -73 | -18.2 | 0 | 0 | 0 | 112.2 | S80 Y84 N86 | S80-N82 PolarHBondContact O-N 3.43Å; S80-N82 PolarHBondContact OG-N 3.43Å; N82-Y84 VanDerWaalsContact C-N 3.34Å; N82-N86 WeakPolarHBondContact O-CB 3.34Å; N82-N86 VanDerWaalsContact O-CG 3.25Å; N82-N86 PolarHBondContact O-N 2.9Å; N82-N86 PolarHBondContact O-ND2 3.27Å |
| 83 | A | 81.8 | Confident | 82.7 | Confident | 40 Ų | 40 | 79.1 Ų | 79.1 | 33% | 0.331 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.2 | -35.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F78 S80 A81 H87 | F78-A83 HydrophobicContact CB-CB 4.46Å; F78-A83 HydrophobicContact CD1-CB 4.17Å; S80-A83 WeakPolarHBondContact O-CB 3.5Å; S80-A83 PolarHBondContact O-N 2.81Å; A81-A83 PolarHBondContact O-N 3.22Å; A83-H87 WeakPolarHBondContact O-CB 3.44Å; A83-H87 PolarHBondContact O-N 3.2Å |
| 84 | Y | 84.3 | Confident | 83.1 | Confident | 50 Ų | 50 | 79 Ų | 79 | 20% | 0.196 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.1 | -47.6 | 173.8 | -177.3 | -116.1 | 0 | 0 | 0 | 112 | E69 C71 F78 S80 A81 N82 N86 H87 L88 | E69-Y84 HydrophobicContact CB-CD1 4.17Å; E69-Y84 HydrophobicContact CB-CD2 4.35Å; E69-Y84 HydrophobicContact CB-CG 4.01Å; E69-Y84 WeakPolarHBondContact OE2-CD1 3.38Å; C71-Y84 HydrophobicContact CB-CE2 3.75Å; F78-Y84 AromaticContact CD2-CD2 3.6Å; F78-Y84 HydrophobicContact CD2-CD2 3.6Å; F78-Y84 HydrophobicContact CD2-CE2 4.46Å; F78-Y84 HydrophobicContact CD2-CG 4.48Å; F78-Y84 HydrophobicContact CE2-CD2 4.09Å; F78-Y84 HydrophobicContact CG-CD2 4.35Å; S80-Y84 PolarHBondContact O-N 2.97Å; A81-Y84 WeakPolarHBondContact O-CB 3.3Å; A81-Y84 PolarHBondContact O-N 2.93Å; N82-Y84 VanDerWaalsContact C-N 3.34Å; Y84-N86 PolarHBondContact O-N 3.15Å; Y84-H87 WeakPolarHBondContact O-CA 3.46Å; Y84-H87 VanDerWaalsContact O-CB 3.32Å; Y84-H87 WeakPolarHBondContact O-CB 3.46Å; Y84-H87 PolarHBondContact O-N 3.4Å; Y84-H87 VanDerWaalsContact O-N 3.07Å; Y84-L88 HydrophobicContact CD1-CD1 4.22Å; Y84-L88 HydrophobicContact CE1-CD1 3.78Å; Y84-L88 HydrophobicContact CE1-CG 4.35Å; Y84-L88 HydrophobicContact CE2-CD2 4.34Å; Y84-L88 WeakPolarHBondContact O-CG 3.2Å; Y84-L88 PolarHBondContact O-N 3.41Å |
| 85 | Q | 83.9 | Confident | 83.5 | Confident | 107 Ų | 107 | 81.8 Ų | 81.8 | 50% | 0.5 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 176.4 | -74.6 | -178.5 | -13.5 | 0 | 0 | 112.6 | A81 H87 L88 Q89 | A81-Q85 WeakPolarHBondContact O-CG 3.48Å; A81-Q85 PolarHBondContact O-N 3.14Å; Q85-H87 VanDerWaalsContact C-N 3.26Å; Q85-H87 PolarHBondContact O-N 2.95Å; Q85-L88 PolarHBondContact O-N 3.19Å; Q85-Q89 PolarHBondContact O-N 3.36Å; Q85-Q89 VanDerWaalsContact O-N 3.13Å |
| 86 | N | 86.6 | Confident | 83.9 | Confident | 108 Ų | 108 | 78.2 Ų | 78.2 | 58% | 0.578 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64 | -33 | 174.8 | -73.7 | -26.3 | 0 | 0 | 0 | 112.3 | N82 Y84 Q89 S90 | N82-N86 WeakPolarHBondContact O-CB 3.34Å; N82-N86 VanDerWaalsContact O-CG 3.25Å; N82-N86 PolarHBondContact O-N 2.9Å; N82-N86 PolarHBondContact O-ND2 3.27Å; Y84-N86 PolarHBondContact O-N 3.15Å; N86-Q89 PolarHBondContact O-N 3.33Å; N86-S90 PolarHBondContact O-N 3.21Å; N86-S90 VanDerWaalsContact O-N 3.16Å |
| 87 | H | 87 | Confident | 84.2 | Confident | 18 Ų | 18 | 76.5 Ų | 76.5 | 8% | 0.083 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 173.5 | 169.6 | 59.8 | 0 | 0 | 0 | 112.3 | C71 C74 F78 A83 Y84 Q85 Q89 S90 H93 | C71-H87 WeakPolarHBondContact CB-NE2 3.34Å; C71-H87 PolarHBondContact SG-NE2 3Å; C74-H87 WeakPolarHBondContact CB-NE2 3.4Å; F78-H87 HydrophobicContact CD1-CB 4.49Å; F78-H87 HydrophobicContact CE1-CB 3.71Å; F78-H87 AromaticContact CE1-CG 3.97Å; F78-H87 HydrophobicContact CE2-CB 3.92Å; F78-H87 AromaticContact CE2-CD2 3.3Å; F78-H87 WeakPolarHBondContact CE2-CD2 3.4Å; F78-H87 AromaticContact CE2-CG 3.59Å; F78-H87 AromaticContact CE2-NE2 3.94Å; F78-H87 HydrophobicContact CZ-CB 3.38Å; F78-H87 AromaticContact CZ-CD2 3.37Å; F78-H87 WeakPolarHBondContact CZ-CD2 3.4Å; F78-H87 AromaticContact CZ-CG 3.14Å; F78-H87 AromaticContact CZ-ND1 3.65Å; F78-H87 AromaticContact CZ-NE2 3.95Å; A83-H87 WeakPolarHBondContact O-CB 3.44Å; A83-H87 PolarHBondContact O-N 3.2Å; Y84-H87 WeakPolarHBondContact O-CA 3.46Å; Y84-H87 VanDerWaalsContact O-CB 3.32Å; Y84-H87 WeakPolarHBondContact O-CB 3.46Å; Y84-H87 PolarHBondContact O-N 3.4Å; Y84-H87 VanDerWaalsContact O-N 3.07Å; Q85-H87 VanDerWaalsContact C-N 3.26Å; Q85-H87 PolarHBondContact O-N 2.95Å; H87-Q89 VanDerWaalsContact C-N 3.28Å; H87-Q89 PolarHBondContact O-N 3.48Å; H87-S90 WeakPolarHBondContact O-CB 3.45Å; H87-S90 PolarHBondContact O-N 3.4Å; H87-S90 VanDerWaalsContact O-N 3.09Å; H87-H93 AromaticContact CE1-ND1 3.96Å; H87-H93 AromaticContact NE2-ND1 3.63Å; H87-H93 VanDerWaalsContact O-CB 3.23Å; H87-H93 WeakPolarHBondContact O-CB 3.36Å |
| 88 | L | 87.1 | Confident | 84.4 | Confident | 62 Ų | 62 | 75.5 Ų | 75.5 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.4 | -35.8 | 176.8 | -63.8 | 177.7 | 0 | 0 | 0 | 112 | Y84 Q85 S90 H93 | Y84-L88 HydrophobicContact CD1-CD1 4.22Å; Y84-L88 HydrophobicContact CE1-CD1 3.78Å; Y84-L88 HydrophobicContact CE1-CG 4.35Å; Y84-L88 HydrophobicContact CE2-CD2 4.34Å; Y84-L88 WeakPolarHBondContact O-CG 3.2Å; Y84-L88 PolarHBondContact O-N 3.41Å; Q85-L88 PolarHBondContact O-N 3.19Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.05Å; L88-H93 WeakPolarHBondContact CD2-NE2 3.42Å; L88-H93 PolarHBondContact O-CD2 3.4Å; L88-H93 VanDerWaalsContact O-CD2 3.31Å |
| 89 | Q | 86.1 | Confident | 84.6 | Confident | 138 Ų | 138 | 80 Ų | 80 | 65% | 0.645 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -8.6 | 176.9 | -64.5 | 179.5 | 4.7 | 0 | 0 | 113.5 | Q85 N86 H87 H91 Q94 | Q85-Q89 PolarHBondContact O-N 3.36Å; Q85-Q89 VanDerWaalsContact O-N 3.13Å; N86-Q89 PolarHBondContact O-N 3.33Å; H87-Q89 VanDerWaalsContact C-N 3.28Å; H87-Q89 PolarHBondContact O-N 3.48Å; Q89-H91 PolarHBondContact O-N 3.15Å; Q89-Q94 PolarHBondContact O-NE2 3.08Å |
| 90 | S | 89.5 | Confident | 84.9 | Confident | 48 Ų | 48 | 78.3 Ų | 78.3 | 34% | 0.336 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -67.3 | 134.3 | -179.4 | -172.1 | 0 | 0 | 0 | 0 | 111.2 | N86 H87 L88 K92 H93 Q94 | N86-S90 PolarHBondContact O-N 3.21Å; N86-S90 VanDerWaalsContact O-N 3.16Å; H87-S90 WeakPolarHBondContact O-CB 3.45Å; H87-S90 PolarHBondContact O-N 3.4Å; H87-S90 VanDerWaalsContact O-N 3.09Å; L88-S90 VanDerWaalsContact C-N 3.28Å; L88-S90 PolarHBondContact O-N 3.05Å; S90-K92 PolarHBondContact O-N 3.23Å; S90-H93 WeakPolarHBondContact O-CB 3.42Å; S90-H93 PolarHBondContact O-N 2.89Å; S90-Q94 PolarHBondContact O-N 3.39Å; S90-Q94 VanDerWaalsContact O-N 3.08Å |
| 91 | H | 88.9 | Confident | 85.1 | Confident | 114 Ų | 114 | 81 Ų | 81 | 53% | 0.528 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -53 | -32.9 | 175.9 | -171.2 | -111.9 | 0 | 0 | 0 | 112.9 | Q89 Q95 | Q89-H91 PolarHBondContact O-N 3.15Å; H91-Q95 VanDerWaalsContact CE1-CD 3.44Å; H91-Q95 PolarHBondContact CE1-NE2 2.87Å; H91-Q95 PolarHBondContact ND1-NE2 3.23Å; H91-Q95 VanDerWaalsContact O-CB 3.3Å; H91-Q95 WeakPolarHBondContact O-CB 3.28Å; H91-Q95 VanDerWaalsContact O-CG 3.23Å; H91-Q95 WeakPolarHBondContact O-CG 3.18Å; H91-Q95 PolarHBondContact O-N 3.42Å |
| 92 | K | 84.6 | Confident | 85.4 | Confident | 163 Ų | 163 | 83.9 Ų | 83.9 | 71% | 0.709 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -67.1 | -37.2 | 177.1 | -69 | -175.4 | 179.7 | -180 | 0 | 112.8 | S90 A96 | S90-K92 PolarHBondContact O-N 3.23Å; K92-A96 WeakPolarHBondContact O-CB 3.49Å; K92-A96 PolarHBondContact O-N 3.48Å; K92-A96 VanDerWaalsContact O-N 3.13Å |
| 93 | H | 85.1 | Confident | 85.5 | Confident | 3 Ų | 3 | 81.5 Ų | 81.5 | 1% | 0.014 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -71.5 | -47.3 | 176.6 | 177.9 | 75 | 0 | 0 | 0 | 110.3 | C71 C74 H87 L88 S90 Q95 A96 E97 | C71-H93 PolarHBondContact SG-CE1 3.36Å; C74-H93 PolarHBondContact SG-ND1 3.48Å; H87-H93 AromaticContact CE1-ND1 3.96Å; H87-H93 AromaticContact NE2-ND1 3.63Å; H87-H93 VanDerWaalsContact O-CB 3.23Å; H87-H93 WeakPolarHBondContact O-CB 3.36Å; L88-H93 WeakPolarHBondContact CD2-NE2 3.42Å; L88-H93 PolarHBondContact O-CD2 3.4Å; L88-H93 VanDerWaalsContact O-CD2 3.31Å; S90-H93 WeakPolarHBondContact O-CB 3.42Å; S90-H93 PolarHBondContact O-N 2.89Å; H93-Q95 VanDerWaalsContact C-N 3.29Å; H93-Q95 PolarHBondContact O-N 2.76Å; H93-A96 WeakPolarHBondContact O-CB 3.44Å; H93-A96 PolarHBondContact O-N 3.07Å; H93-E97 IonicContact CD2-OE1 3.8Å; H93-E97 IonicContact CD2-OE2 3.56Å; H93-E97 IonicContact CE1-OE1 3.44Å; H93-E97 VanDerWaalsContact NE2-CD 3.29Å; H93-E97 IonicContact NE2-OE1 3.84Å; H93-E97 PolarHBondContact NE2-OE1 2.86Å; H93-E97 IonicContact NE2-OE2 3.41Å; H93-E97 WeakPolarHBondContact O-CG 3.22Å; H93-E97 PolarHBondContact O-N 2.93Å |
| 94 | Q | 86.9 | Confident | 85.5 | Confident | 66 Ų | 66 | 81 Ų | 81 | 31% | 0.308 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61 | -36 | 177 | -65.2 | 176.1 | 6.5 | 0 | 0 | 112.9 | Q89 S90 R98 | Q89-Q94 PolarHBondContact O-NE2 3.08Å; S90-Q94 PolarHBondContact O-N 3.39Å; S90-Q94 VanDerWaalsContact O-N 3.08Å; Q94-R98 WeakPolarHBondContact O-CB 3.35Å; Q94-R98 VanDerWaalsContact O-CG 3.28Å; Q94-R98 WeakPolarHBondContact O-CG 3.39Å; Q94-R98 PolarHBondContact O-N 3.42Å |
| 95 | Q | 86.6 | Confident | 85.3 | Confident | 86 Ų | 86 | 83.9 Ų | 83.9 | 40% | 0.402 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 172.6 | -79.3 | -177.2 | -21.8 | 0 | 0 | 112.1 | H91 H93 E97 R98 Q99 | H91-Q95 VanDerWaalsContact CE1-CD 3.44Å; H91-Q95 PolarHBondContact CE1-NE2 2.87Å; H91-Q95 PolarHBondContact ND1-NE2 3.23Å; H91-Q95 VanDerWaalsContact O-CB 3.3Å; H91-Q95 WeakPolarHBondContact O-CB 3.28Å; H91-Q95 VanDerWaalsContact O-CG 3.23Å; H91-Q95 WeakPolarHBondContact O-CG 3.18Å; H91-Q95 PolarHBondContact O-N 3.42Å; H93-Q95 VanDerWaalsContact C-N 3.29Å; H93-Q95 PolarHBondContact O-N 2.76Å; Q95-E97 VanDerWaalsContact C-N 3.34Å; Q95-R98 PolarHBondContact O-N 2.85Å; Q95-Q99 WeakPolarHBondContact O-CB 3.48Å; Q95-Q99 VanDerWaalsContact O-CG 3.28Å; Q95-Q99 WeakPolarHBondContact O-CG 3.41Å; Q95-Q99 PolarHBondContact O-N 3.2Å |
| 96 | A | 84.4 | Confident | 85.2 | Confident | 32 Ų | 32 | 86.6 Ų | 86.6 | 26% | 0.264 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V73 K92 H93 Q99 A100 | V73-A96 HydrophobicContact CG1-CB 4.31Å; K92-A96 WeakPolarHBondContact O-CB 3.49Å; K92-A96 PolarHBondContact O-N 3.48Å; K92-A96 VanDerWaalsContact O-N 3.13Å; H93-A96 WeakPolarHBondContact O-CB 3.44Å; H93-A96 PolarHBondContact O-N 3.07Å; A96-Q99 PolarHBondContact O-N 3.06Å; A96-A100 WeakPolarHBondContact O-CB 3.38Å; A96-A100 PolarHBondContact O-N 3.25Å |
| 97 | E | 85.9 | Confident | 84.9 | Confident | 78 Ų | 78 | 86.9 Ų | 86.9 | 36% | 0.364 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.6 | -48.6 | 173.5 | -72.9 | -172.8 | 142.4 | 0 | 0 | 112.2 | V73 H93 Q95 Q99 A100 L101 | V73-E97 HydrophobicContact CB-CG 4.4Å; V73-E97 HydrophobicContact CG1-CG 3.94Å; V73-E97 HydrophobicContact CG2-CG 4.07Å; H93-E97 IonicContact CD2-OE1 3.8Å; H93-E97 IonicContact CD2-OE2 3.56Å; H93-E97 IonicContact CE1-OE1 3.44Å; H93-E97 VanDerWaalsContact NE2-CD 3.29Å; H93-E97 IonicContact NE2-OE1 3.84Å; H93-E97 PolarHBondContact NE2-OE1 2.86Å; H93-E97 IonicContact NE2-OE2 3.41Å; H93-E97 WeakPolarHBondContact O-CG 3.22Å; H93-E97 PolarHBondContact O-N 2.93Å; Q95-E97 VanDerWaalsContact C-N 3.34Å; E97-Q99 VanDerWaalsContact C-N 3.3Å; E97-Q99 PolarHBondContact O-N 3.11Å; E97-A100 PolarHBondContact O-N 3.29Å; E97-L101 WeakPolarHBondContact O-CG 3.31Å; E97-L101 PolarHBondContact O-N 3.43Å |
| 98 | R | 86.3 | Confident | 84.3 | Confident | 153 Ų | 153 | 87.5 Ų | 87.5 | 58% | 0.577 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -60.1 | -40.3 | 176.6 | -74.1 | 177.8 | -162.5 | 177.3 | 6.9 | 112 | Q94 Q95 L101 L102 | Q94-R98 WeakPolarHBondContact O-CB 3.35Å; Q94-R98 VanDerWaalsContact O-CG 3.28Å; Q94-R98 WeakPolarHBondContact O-CG 3.39Å; Q94-R98 PolarHBondContact O-N 3.42Å; Q95-R98 PolarHBondContact O-N 2.85Å; R98-L101 PolarHBondContact O-N 3.11Å; R98-L102 VanDerWaalsContact O-CG 3.3Å; R98-L102 WeakPolarHBondContact O-CG 3.5Å; R98-L102 PolarHBondContact O-N 3.31Å |
| 99 | Q | 86.2 | Confident | 83.6 | Confident | 135 Ų | 135 | 89.9 Ų | 89.9 | 63% | 0.631 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.9 | -39.8 | 176.4 | -75 | 177.2 | 4.6 | 0 | 0 | 112.1 | Q95 A96 E97 L102 A103 | Q95-Q99 WeakPolarHBondContact O-CB 3.48Å; Q95-Q99 VanDerWaalsContact O-CG 3.28Å; Q95-Q99 WeakPolarHBondContact O-CG 3.41Å; Q95-Q99 PolarHBondContact O-N 3.2Å; A96-Q99 PolarHBondContact O-N 3.06Å; E97-Q99 VanDerWaalsContact C-N 3.3Å; E97-Q99 PolarHBondContact O-N 3.11Å; Q99-L102 PolarHBondContact O-N 3.04Å; Q99-A103 WeakPolarHBondContact O-CB 3.33Å; Q99-A103 PolarHBondContact O-N 3.47Å |
| 100 | A | 82.3 | Confident | 83.1 | Confident | 55 Ų | 55 | 90.5 Ų | 90.5 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A96 E97 A103 A104 | A96-A100 WeakPolarHBondContact O-CB 3.38Å; A96-A100 PolarHBondContact O-N 3.25Å; E97-A100 PolarHBondContact O-N 3.29Å; A100-A103 PolarHBondContact O-N 3.34Å; A100-A104 WeakPolarHBondContact O-CB 3.37Å; A100-A104 PolarHBondContact O-N 2.89Å |
| 101 | L | 83.6 | Confident | 82 | Confident | 105 Ų | 105 | 92.7 Ų | 92.7 | 55% | 0.55 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 175.1 | -70.7 | 175.6 | 0 | 0 | 0 | 112.4 | E97 R98 A103 A104 Q105 | E97-L101 WeakPolarHBondContact O-CG 3.31Å; E97-L101 PolarHBondContact O-N 3.43Å; R98-L101 PolarHBondContact O-N 3.11Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.05Å; L101-A104 WeakPolarHBondContact O-CB 3.48Å; L101-A104 PolarHBondContact O-N 3.38Å; L101-Q105 WeakPolarHBondContact O-CG 3.4Å; L101-Q105 PolarHBondContact O-N 3.24Å |
| 102 | L | 85.4 | Confident | 81 | Confident | 91 Ų | 91 | 89.9 Ų | 89.9 | 48% | 0.476 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 176.5 | -71.1 | 171.5 | 0 | 0 | 0 | 112.1 | R98 Q99 Q105 R106 | R98-L102 VanDerWaalsContact O-CG 3.3Å; R98-L102 WeakPolarHBondContact O-CG 3.5Å; R98-L102 PolarHBondContact O-N 3.31Å; Q99-L102 PolarHBondContact O-N 3.04Å; L102-Q105 PolarHBondContact O-N 3.38Å; L102-R106 WeakPolarHBondContact O-CG 3.37Å; L102-R106 PolarHBondContact O-N 3.03Å |
| 103 | A | 84.3 | Confident | 80.3 | Confident | 59 Ų | 59 | 87.8 Ų | 87.8 | 49% | 0.488 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.7 | -38 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q99 A100 L101 K107 | Q99-A103 WeakPolarHBondContact O-CB 3.33Å; Q99-A103 PolarHBondContact O-N 3.47Å; A100-A103 PolarHBondContact O-N 3.34Å; L101-A103 VanDerWaalsContact C-N 3.32Å; L101-A103 PolarHBondContact O-N 3.05Å; A103-K107 WeakPolarHBondContact O-CB 3.45Å; A103-K107 PolarHBondContact O-N 3.48Å; A103-K107 VanDerWaalsContact O-N 3.15Å |
| 104 | A | 80.2 | Confident | 79.6 | Confident | 30 Ų | 30 | 93.6 Ų | 93.6 | 25% | 0.248 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -65.4 | -44.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A100 L101 R106 K107 V108 | A100-A104 WeakPolarHBondContact O-CB 3.37Å; A100-A104 PolarHBondContact O-N 2.89Å; L101-A104 WeakPolarHBondContact O-CB 3.48Å; L101-A104 PolarHBondContact O-N 3.38Å; A104-R106 PolarHBondContact O-N 2.95Å; A104-K107 WeakPolarHBondContact O-CB 3.41Å; A104-K107 PolarHBondContact O-N 3.23Å; A104-K107 VanDerWaalsContact O-N 3.12Å; A104-V108 WeakPolarHBondContact O-CG2 3.49Å; A104-V108 PolarHBondContact O-N 3.14Å |
| 105 | Q | 79.8 | Confident | 78.3 | Confident | 111 Ų | 111 | 95 Ų | 95 | 52% | 0.519 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58.5 | -49.2 | 175.8 | -75.9 | 176.6 | -14.7 | 0 | 0 | 111.9 | L101 L102 K107 V108 E109 | L101-Q105 WeakPolarHBondContact O-CG 3.4Å; L101-Q105 PolarHBondContact O-N 3.24Å; L102-Q105 PolarHBondContact O-N 3.38Å; Q105-K107 PolarHBondContact O-N 3.19Å; Q105-V108 PolarHBondContact O-N 3.24Å; Q105-V108 VanDerWaalsContact O-N 3.1Å; Q105-E109 WeakPolarHBondContact O-CG 3.24Å; Q105-E109 PolarHBondContact O-N 2.94Å |
| 106 | R | 83.2 | Confident | 77 | Confident | 164 Ų | 164 | 97.7 Ų | 97.7 | 62% | 0.619 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.6 | -26.7 | 176.3 | -73 | 176 | 178.7 | -176.7 | -0.4 | 113.9 | L102 A104 R110 | L102-R106 WeakPolarHBondContact O-CG 3.37Å; L102-R106 PolarHBondContact O-N 3.03Å; A104-R106 PolarHBondContact O-N 2.95Å; R106-R110 WeakPolarHBondContact O-CB 3.47Å; R106-R110 PolarHBondContact O-N 3.49Å; R106-R110 VanDerWaalsContact O-N 3.15Å |
| 107 | K | 78.8 | Confident | 75.8 | Confident | 113 Ų | 113 | 104.2 Ų | 104.2 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -78.1 | -38.5 | 176.9 | -168.1 | 177.3 | 179 | -176.5 | 0 | 110.9 | A103 A104 Q105 R110 M111 | A103-K107 WeakPolarHBondContact O-CB 3.45Å; A103-K107 PolarHBondContact O-N 3.48Å; A103-K107 VanDerWaalsContact O-N 3.15Å; A104-K107 WeakPolarHBondContact O-CB 3.41Å; A104-K107 PolarHBondContact O-N 3.23Å; A104-K107 VanDerWaalsContact O-N 3.12Å; Q105-K107 PolarHBondContact O-N 3.19Å; K107-R110 PolarHBondContact O-N 3.37Å; K107-M111 HydrophobicContact CG-CE 4.49Å; K107-M111 WeakPolarHBondContact O-CG 3.37Å; K107-M111 PolarHBondContact O-N 2.93Å |
| 108 | V | 75.1 | Confident | 74.5 | Confident | 32 Ų | 32 | 108.6 Ų | 108.6 | 19% | 0.194 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 172.9 | 173.5 | 0 | 0 | 0 | 0 | 110.6 | A104 Q105 R110 M111 N112 L134 | A104-V108 WeakPolarHBondContact O-CG2 3.49Å; A104-V108 PolarHBondContact O-N 3.14Å; Q105-V108 PolarHBondContact O-N 3.24Å; Q105-V108 VanDerWaalsContact O-N 3.1Å; V108-R110 PolarHBondContact O-N 2.63Å; V108-M111 HydrophobicContact CG2-CE 4.12Å; V108-M111 CarbonylContact O-C 3.4Å; V108-M111 WeakPolarHBondContact O-CA 3.4Å; V108-M111 WeakPolarHBondContact O-CB 3.38Å; V108-M111 PolarHBondContact O-N 3.12Å; V108-N112 VanDerWaalsContact O-CG 3.27Å; V108-N112 PolarHBondContact O-N 3.33Å; V108-N112 PolarHBondContact O-OD1 2.98Å; V108-L134 HydrophobicContact CG1-CD1 4.2Å; V108-L134 HydrophobicContact CG2-CD1 4.02Å; V108-L134 HydrophobicContact CG2-CG 4.47Å |
| 109 | E | 73.1 | Confident | 72.9 | Confident | 111 Ų | 111 | 104.2 Ų | 104.2 | 52% | 0.519 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.9 | -46.7 | 173.5 | -72.5 | 167.6 | 175.9 | 0 | 0 | 111.6 | Q105 M111 N112 E113 | Q105-E109 WeakPolarHBondContact O-CG 3.24Å; Q105-E109 PolarHBondContact O-N 2.94Å; E109-M111 VanDerWaalsContact C-N 3.28Å; E109-M111 PolarHBondContact O-N 2.81Å; E109-N112 CarbonylContact O-C 3.55Å; E109-N112 PolarHBondContact O-N 3.05Å; E109-N112 VanDerWaalsContact O-N 3.12Å; E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.28Å |
| 110 | R | 74.9 | Confident | 71 | Confident | 151 Ų | 151 | 103.7 Ų | 103.7 | 57% | 0.57 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -29.3 | 173.9 | -100.2 | -173.7 | -77.3 | 171.2 | -9.5 | 114 | R106 K107 V108 K114 | R106-R110 WeakPolarHBondContact O-CB 3.47Å; R106-R110 PolarHBondContact O-N 3.49Å; R106-R110 VanDerWaalsContact O-N 3.15Å; K107-R110 PolarHBondContact O-N 3.37Å; V108-R110 PolarHBondContact O-N 2.63Å; R110-K114 WeakPolarHBondContact O-CB 3.49Å; R110-K114 WeakPolarHBondContact O-CD 3.1Å; R110-K114 WeakPolarHBondContact O-CG 3.18Å; R110-K114 PolarHBondContact O-N 2.8Å |
| 111 | M | 67.3 | Low | 68.6 | Low | 95 Ų | 95 | 106.9 Ų | 106.9 | 47% | 0.468 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.1 | -37.3 | 173.2 | -75.7 | -173.4 | -62.7 | 0 | 0 | 110.8 | K107 V108 E109 K114 N115 | K107-M111 HydrophobicContact CG-CE 4.49Å; K107-M111 WeakPolarHBondContact O-CG 3.37Å; K107-M111 PolarHBondContact O-N 2.93Å; V108-M111 HydrophobicContact CG2-CE 4.12Å; V108-M111 CarbonylContact O-C 3.4Å; V108-M111 WeakPolarHBondContact O-CA 3.4Å; V108-M111 WeakPolarHBondContact O-CB 3.38Å; V108-M111 PolarHBondContact O-N 3.12Å; E109-M111 VanDerWaalsContact C-N 3.28Å; E109-M111 PolarHBondContact O-N 2.81Å; M111-K114 PolarHBondContact O-N 3Å; M111-N115 WeakPolarHBondContact O-CB 3.17Å; M111-N115 PolarHBondContact O-N 3.47Å; M111-N115 PolarHBondContact O-ND2 3.43Å; M111-N115 PolarHBondContact O-OD1 2.79Å |
| 112 | N | 67.4 | Low | 67 | Low | 55 Ų | 55 | 109.5 Ų | 109.5 | 29% | 0.294 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.2 | -42.7 | 176 | -68 | -5.4 | 0 | 0 | 0 | 111.8 | V108 E109 K114 N115 L116 | V108-N112 VanDerWaalsContact O-CG 3.27Å; V108-N112 PolarHBondContact O-N 3.33Å; V108-N112 PolarHBondContact O-OD1 2.98Å; E109-N112 CarbonylContact O-C 3.55Å; E109-N112 PolarHBondContact O-N 3.05Å; E109-N112 VanDerWaalsContact O-N 3.12Å; N112-K114 VanDerWaalsContact C-N 3.33Å; N112-K114 PolarHBondContact O-N 3.21Å; N112-N115 CarbonylContact O-C 3.58Å; N112-N115 WeakPolarHBondContact O-CA 3.38Å; N112-N115 WeakPolarHBondContact O-CB 3.49Å; N112-N115 PolarHBondContact O-N 2.83Å; N112-L116 VanDerWaalsContact O-CD1 3.29Å; N112-L116 WeakPolarHBondContact O-CD1 3.5Å; N112-L116 PolarHBondContact O-N 2.83Å |
| 113 | E | 70.2 | Confident | 65 | Low | 118 Ų | 118 | 113.4 Ų | 113.4 | 55% | 0.551 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.6 | -44.4 | 173.6 | -76.1 | 175.1 | 160.8 | 0 | 0 | 111.4 | E109 N115 L116 E117 | E109-E113 WeakPolarHBondContact O-CG 3.46Å; E109-E113 PolarHBondContact O-N 3.28Å; E113-N115 VanDerWaalsContact C-N 3.25Å; E113-N115 PolarHBondContact O-N 3.36Å; E113-L116 PolarHBondContact O-N 3.15Å; E113-E117 PolarHBondContact O-N 3.32Å |
| 114 | K | 70.6 | Confident | 63.5 | Low | 126 Ų | 126 | 120.2 Ų | 120.2 | 55% | 0.548 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.5 | -24.1 | 175.4 | -73.2 | 175.5 | -177.7 | -171.2 | 0 | 113.6 | R110 M111 N112 K118 | R110-K114 WeakPolarHBondContact O-CB 3.49Å; R110-K114 WeakPolarHBondContact O-CD 3.1Å; R110-K114 WeakPolarHBondContact O-CG 3.18Å; R110-K114 PolarHBondContact O-N 2.8Å; M111-K114 PolarHBondContact O-N 3Å; N112-K114 VanDerWaalsContact C-N 3.33Å; N112-K114 PolarHBondContact O-N 3.21Å; K114-K118 WeakPolarHBondContact O-CG 3.29Å |
| 115 | N | 59.3 | Low | 62.1 | Low | 95 Ų | 95 | 126.8 Ų | 126.8 | 51% | 0.508 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -80 | -36.1 | 172.8 | -72.3 | -14.8 | 0 | 0 | 0 | 111 | M111 N112 E113 K118 | M111-N115 WeakPolarHBondContact O-CB 3.17Å; M111-N115 PolarHBondContact O-N 3.47Å; M111-N115 PolarHBondContact O-ND2 3.43Å; M111-N115 PolarHBondContact O-OD1 2.79Å; N112-N115 CarbonylContact O-C 3.58Å; N112-N115 WeakPolarHBondContact O-CA 3.38Å; N112-N115 WeakPolarHBondContact O-CB 3.49Å; N112-N115 PolarHBondContact O-N 2.83Å; E113-N115 VanDerWaalsContact C-N 3.25Å; E113-N115 PolarHBondContact O-N 3.36Å; N115-K118 PolarHBondContact O-N 3.07Å |
| 116 | L | 57.9 | Low | 61 | Low | 142 Ų | 142 | 126.7 Ų | 126.7 | 74% | 0.743 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.3 | -41.3 | 171.8 | -96.5 | 104.9 | 0 | 0 | 0 | 112.3 | N112 E113 K118 G119 | N112-L116 VanDerWaalsContact O-CD1 3.29Å; N112-L116 WeakPolarHBondContact O-CD1 3.5Å; N112-L116 PolarHBondContact O-N 2.83Å; E113-L116 PolarHBondContact O-N 3.15Å; L116-K118 PolarHBondContact O-N 3.11Å; L116-G119 PolarHBondContact O-N 3.44Å |
| 117 | E | 59.5 | Low | 59.6 | Low | 170 Ų | 170 | 123.5 Ų | 123.5 | 79% | 0.794 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -18.1 | 176.2 | -75 | 179.3 | 167.1 | 0 | 0 | 113.4 | E113 | E113-E117 PolarHBondContact O-N 3.32Š|
| 118 | K | 60 | Low | 58.5 | Low | 170 Ų | 170 | 123.6 Ų | 123.6 | 74% | 0.739 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 2.9 | 177.9 | -75.8 | 179.6 | 179 | -179.1 | 0 | 114.5 | K114 N115 L116 | K114-K118 WeakPolarHBondContact O-CG 3.29Å; N115-K118 PolarHBondContact O-N 3.07Å; L116-K118 PolarHBondContact O-N 3.11Å |
| 119 | G | 51.4 | Low | 58 | Low | 61 Ų | 61 | 124.9 Ų | 124.9 | 63% | 0.629 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69 | 49 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L116 | L116-G119 PolarHBondContact O-N 3.44Š|
| 120 | V | 45.8 | Very low | 57.3 | Low | 124 Ų | 124 | 125.8 Ų | 125.8 | 75% | 0.752 | 64% | 0.64 | S | S | * | * | trans | -94.2 | 116 | 164.7 | -177.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 121 | C | 33.5 | Very low | 56.5 | Low | 121 Ų | 121 | 123.2 Ų | 123.2 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | trans | -75.3 | 139.6 | 177.9 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | E123 | C121-E123 PolarHBondContact O-N 3.42Š| ||
| 122 | D | 49.2 | Very low | 56.8 | Low | 160 Ų | 160 | 124.4 Ų | 124.4 | 86% | 0.856 | 64% | 0.642 | S | S | * | * | trans | -44.8 | 117.5 | -179.7 | -85.2 | -77.4 | 0 | 0 | 0 | 115.1 | ||||
| 123 | E | 42.5 | Very low | 56.8 | Low | 173 Ų | 173 | 124.5 Ų | 124.5 | 81% | 0.808 | 65% | 0.65 | S | S | * | * | trans | -128.5 | 123.1 | 140.3 | -89.9 | -82.3 | 143.7 | 0 | 0 | 105.7 | C121 E125 | C121-E123 PolarHBondContact O-N 3.42Å; E123-E125 PolarHBondContact O-N 3.01Å | ||
| 124 | K | 53.1 | Low | 56.4 | Low | 202 Ų | 202 | 122 Ų | 122 | 88% | 0.878 | 64% | 0.64 | S | S | * | * | trans | -33 | 100.3 | -171.1 | -67.5 | 166.8 | 179.4 | 170.5 | 0 | 113.5 | D126 | K124-D126 PolarHBondContact O-N 3.01Š| ||
| 125 | E | 51.8 | Low | 56.3 | Low | 168 Ų | 168 | 122.4 Ų | 122.4 | 79% | 0.785 | 64% | 0.644 | S | S | * | * | trans | -71 | 116.3 | 172 | -66.8 | -174.5 | 161 | 0 | 0 | 109.3 | E123 N127 | E123-E125 PolarHBondContact O-N 3.01Å; E125-N127 PolarHBondContact O-N 3.41Å | ||
| 126 | D | 55.6 | Low | 56.8 | Low | 109 Ų | 109 | 123.4 Ų | 123.4 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | trans | -59.2 | 125.6 | -176.8 | -145.1 | -19.2 | 0 | 0 | 0 | 110.3 | K124 D128 A129 R130 | K124-D126 PolarHBondContact O-N 3.01Å; D126-D128 PolarHBondContact O-N 3.34Å; D126-A129 HydrophobicContact CB-CB 4.47Å; D126-A129 PolarHBondContact O-N 3.15Å; D126-R130 PolarHBondContact O-N 2.77Å | ||
| 127 | N | 54.6 | Low | 57 | Low | 98 Ų | 98 | 118.6 Ų | 118.6 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -61 | -22.1 | -175.2 | -89.1 | -74 | 0 | 0 | 0 | 112.1 | E125 R130 N131 | E125-N127 PolarHBondContact O-N 3.41Å; N127-R130 PolarHBondContact OD1-NH2 2.94Å; N127-N131 PolarHBondContact O-N 3.37Å |
| 128 | D | 56.1 | Low | 57.2 | Low | 115 Ų | 115 | 114 Ų | 114 | 62% | 0.615 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -72.1 | -39.6 | 176.3 | -68.1 | -20.8 | 0 | 0 | 0 | 112.1 | D126 R130 N131 E132 | D126-D128 PolarHBondContact O-N 3.34Å; D128-R130 VanDerWaalsContact C-N 3.29Å; D128-R130 PolarHBondContact O-N 2.86Å; D128-N131 PolarHBondContact O-N 3.04Å; D128-E132 WeakPolarHBondContact O-CB 3.31Å; D128-E132 PolarHBondContact O-N 2.88Å |
| 129 | A | 63.3 | Low | 57.3 | Low | 59 Ų | 59 | 115.6 Ų | 115.6 | 49% | 0.488 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.1 | -35.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D126 A133 | D126-A129 HydrophobicContact CB-CB 4.47Å; D126-A129 PolarHBondContact O-N 3.15Å; A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.38Å; A129-A133 PolarHBondContact O-N 3.13Å |
| 130 | R | 58.8 | Low | 57.6 | Low | 129 Ų | 129 | 119.4 Ų | 119.4 | 49% | 0.487 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.9 | -38.7 | 174.8 | -168 | 172.6 | 70.3 | 147.6 | -1 | 112.3 | D126 N127 D128 L134 | D126-R130 PolarHBondContact O-N 2.77Å; N127-R130 PolarHBondContact OD1-NH2 2.94Å; D128-R130 VanDerWaalsContact C-N 3.29Å; D128-R130 PolarHBondContact O-N 2.86Å; R130-L134 WeakPolarHBondContact O-CB 3.46Å; R130-L134 PolarHBondContact O-N 2.85Å |
| 131 | N | 58.1 | Low | 57.9 | Low | 97 Ų | 97 | 119.5 Ų | 119.5 | 52% | 0.519 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -70 | -38 | 176.7 | -114.5 | -16.7 | 0 | 0 | 0 | 112 | N127 D128 L134 Q135 | N127-N131 PolarHBondContact O-N 3.37Å; D128-N131 PolarHBondContact O-N 3.04Å; N131-L134 WeakPolarHBondContact O-CB 3.25Å; N131-L134 PolarHBondContact O-N 2.97Å; N131-Q135 WeakPolarHBondContact O-CG 3.47Å; N131-Q135 PolarHBondContact O-N 3.02Å |
| 132 | E | 73.9 | Confident | 58.8 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.6 | -40.2 | 177 | -160.8 | 172.7 | -165.6 | 0 | 0 | 111.6 | D128 L134 Q135 Q136 | D128-E132 WeakPolarHBondContact O-CB 3.31Å; D128-E132 PolarHBondContact O-N 2.88Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 3.24Å; E132-Q135 PolarHBondContact O-N 3.46Å; E132-Q136 WeakPolarHBondContact O-CG 3.42Å; E132-Q136 PolarHBondContact O-N 3.23Å |
| 133 | A | 67.4 | Low | 58.5 | Low | 56 Ų | 56 | 121.5 Ų | 121.5 | 46% | 0.463 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.1 | -36.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A129 Q136 A137 | A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.38Å; A129-A133 PolarHBondContact O-N 3.13Å; A133-Q136 PolarHBondContact O-N 3.13Å; A133-A137 WeakPolarHBondContact O-CB 3.08Å; A133-A137 PolarHBondContact O-N 3.16Å |
| 134 | L | 62 | Low | 58.6 | Low | 65 Ų | 65 | 117.4 Ų | 117.4 | 34% | 0.34 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.6 | -41.7 | 174.2 | -127 | 115.4 | 0 | 0 | 0 | 111.8 | V108 R130 N131 E132 A137 L138 | V108-L134 HydrophobicContact CG1-CD1 4.2Å; V108-L134 HydrophobicContact CG2-CD1 4.02Å; V108-L134 HydrophobicContact CG2-CG 4.47Å; R130-L134 WeakPolarHBondContact O-CB 3.46Å; R130-L134 PolarHBondContact O-N 2.85Å; N131-L134 WeakPolarHBondContact O-CB 3.25Å; N131-L134 PolarHBondContact O-N 2.97Å; E132-L134 VanDerWaalsContact C-N 3.32Å; E132-L134 PolarHBondContact O-N 3.24Å; L134-A137 PolarHBondContact O-N 3.39Å; L134-L138 WeakPolarHBondContact O-CG 3.37Å; L134-L138 PolarHBondContact O-N 3.19Å |
| 135 | Q | 68.3 | Low | 58.4 | Low | 135 Ų | 135 | 112 Ų | 112 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.8 | -40.5 | 175.6 | -75.7 | -177.5 | 21.6 | 0 | 0 | 111.8 | N131 E132 L138 R139 | N131-Q135 WeakPolarHBondContact O-CG 3.47Å; N131-Q135 PolarHBondContact O-N 3.02Å; E132-Q135 PolarHBondContact O-N 3.46Å; Q135-L138 PolarHBondContact O-N 3.05Å; Q135-R139 WeakPolarHBondContact O-CB 3.37Å; Q135-R139 PolarHBondContact O-N 2.97Å |
| 136 | Q | 69.8 | Low | 58.1 | Low | 116 Ų | 116 | 108.1 Ų | 108.1 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 175.1 | -73.1 | 179.7 | 7.9 | 0 | 0 | 111.9 | E132 A133 L138 R139 E140 | E132-Q136 WeakPolarHBondContact O-CG 3.42Å; E132-Q136 PolarHBondContact O-N 3.23Å; A133-Q136 PolarHBondContact O-N 3.13Å; Q136-L138 PolarHBondContact O-N 2.8Å; Q136-R139 WeakPolarHBondContact O-CB 3.48Å; Q136-R139 PolarHBondContact O-N 3.26Å; Q136-E140 PolarHBondContact O-N 3.44Å |
| 137 | A | 62.2 | Low | 57.6 | Low | 41 Ų | 41 | 106 Ų | 106 | 34% | 0.339 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A133 L134 E140 Q141 | A133-A137 WeakPolarHBondContact O-CB 3.08Å; A133-A137 PolarHBondContact O-N 3.16Å; L134-A137 PolarHBondContact O-N 3.39Å; A137-E140 PolarHBondContact O-N 2.89Å; A137-Q141 WeakPolarHBondContact O-CG 3.26Å; A137-Q141 PolarHBondContact O-N 3.49Å |
| 138 | L | 63.3 | Low | 57.1 | Low | 73 Ų | 73 | 108.6 Ų | 108.6 | 38% | 0.382 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.6 | -38.2 | 171.6 | -75 | 170 | 0 | 0 | 0 | 111.6 | L134 Q135 Q136 E140 Q141 H142 | L134-L138 WeakPolarHBondContact O-CG 3.37Å; L134-L138 PolarHBondContact O-N 3.19Å; Q135-L138 PolarHBondContact O-N 3.05Å; Q136-L138 PolarHBondContact O-N 2.8Å; L138-E140 VanDerWaalsContact C-N 3.31Å; L138-E140 PolarHBondContact O-N 3.25Å; L138-Q141 PolarHBondContact O-N 3.08Å; L138-H142 PolarHBondContact O-CD2 3.36Å; L138-H142 PolarHBondContact O-N 3.18Å; L138-H142 VanDerWaalsContact O-N 3.08Å |
| 139 | R | 62.6 | Low | 56.3 | Low | 205 Ų | 205 | 107.4 Ų | 107.4 | 77% | 0.774 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63.7 | -35.7 | 174.1 | -133 | 172.7 | -175.8 | 179.4 | 1.1 | 112 | Q135 Q136 H142 R143 | Q135-R139 WeakPolarHBondContact O-CB 3.37Å; Q135-R139 PolarHBondContact O-N 2.97Å; Q136-R139 WeakPolarHBondContact O-CB 3.48Å; Q136-R139 PolarHBondContact O-N 3.26Å; R139-H142 PolarHBondContact O-N 2.98Å; R139-R143 PolarHBondContact O-N 3.47Å |
| 140 | E | 57.2 | Low | 55.1 | Low | 140 Ų | 140 | 107.2 Ų | 107.2 | 65% | 0.654 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -74.2 | -32.8 | 175 | -77.8 | 179.3 | 152.8 | 0 | 0 | 113.4 | Q136 A137 L138 H142 R143 | Q136-E140 PolarHBondContact O-N 3.44Å; A137-E140 PolarHBondContact O-N 2.89Å; L138-E140 VanDerWaalsContact C-N 3.31Å; L138-E140 PolarHBondContact O-N 3.25Å; E140-H142 VanDerWaalsContact C-N 3.31Å; E140-R143 PolarHBondContact O-N 3.47Å |
| 141 | Q | 53.3 | Low | 54 | Low | 127 Ų | 127 | 109 Ų | 109 | 59% | 0.593 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.5 | -28.7 | 171.5 | -73.8 | -172.3 | 22.7 | 0 | 0 | 113 | A137 L138 | A137-Q141 WeakPolarHBondContact O-CG 3.26Å; A137-Q141 PolarHBondContact O-N 3.49Å; L138-Q141 PolarHBondContact O-N 3.08Å |
| 142 | H | 51 | Low | 53.2 | Low | 146 Ų | 146 | 108.9 Ų | 108.9 | 68% | 0.676 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -87.6 | -4.6 | 171.9 | -84 | -81.8 | 0 | 0 | 0 | 113.9 | L138 R139 E140 P144 | L138-H142 PolarHBondContact O-CD2 3.36Å; L138-H142 PolarHBondContact O-N 3.18Å; L138-H142 VanDerWaalsContact O-N 3.08Å; R139-H142 PolarHBondContact O-N 2.98Å; E140-H142 VanDerWaalsContact C-N 3.31Å; H142-P144 WeakPolarHBondContact O-CD 3.23Å |
| 143 | R | 44.8 | Very low | 51.5 | Low | 176 Ų | 176 | 109.4 Ų | 109.4 | 66% | 0.664 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -79.9 | 119.4 | 174.7 | -170.2 | 175.2 | 179.7 | 158.2 | 0.6 | 108.9 | R139 E140 N145 | R139-R143 PolarHBondContact O-N 3.47Å; E140-R143 PolarHBondContact O-N 3.47Å; R143-N145 PolarHBondContact O-N 3.47Å |
| 144 | P | 44.5 | Very low | 50 | Low | 87 Ų | 87 | 112 Ų | 112 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 127.5 | 173.3 | 23 | -30.3 | 0 | 0 | 0 | 109.3 | H142 P146 M149 | H142-P144 WeakPolarHBondContact O-CD 3.23Å; P144-P146 WeakPolarHBondContact O-CD 3.42Å; P144-M149 HydrophobicContact CB-SD 4.12Å; P144-M149 HydrophobicContact CG-SD 4.07Å |
| 145 | N | 47.7 | Very low | 48.7 | Very low | 90 Ų | 90 | 111.9 Ų | 111.9 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -60 | 119 | -175.8 | -177 | -11.6 | 0 | 0 | 0 | 110.3 | R143 A147 K148 M149 | R143-N145 PolarHBondContact O-N 3.47Å; N145-A147 PolarHBondContact O-N 3.48Å; N145-A147 WeakPolarHBondContact OD1-CB 3.27Å; N145-A147 PolarHBondContact OD1-N 2.98Å; N145-A147 VanDerWaalsContact OD1-N 3.08Å; N145-K148 HydrophobicContact CB-CB 4.4Å; N145-K148 WeakPolarHBondContact O-CA 3.27Å; N145-K148 PolarHBondContact O-N 3.01Å; N145-M149 PolarHBondContact O-N 3.34Å; N145-M149 VanDerWaalsContact O-N 3.07Å |
| 146 | P | 45.6 | Very low | 47 | Very low | 85 Ų | 85 | 108.9 Ų | 108.9 | 55% | 0.552 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.1 | -24.1 | -177.5 | 23.6 | -32.1 | 0 | 0 | 0 | 112.8 | P144 K148 M149 A150 | P144-P146 WeakPolarHBondContact O-CD 3.42Å; P146-K148 VanDerWaalsContact C-N 3.32Å; P146-K148 PolarHBondContact O-N 3.46Å; P146-M149 PolarHBondContact O-N 2.94Å; P146-A150 PolarHBondContact O-N 2.96Å |
| 147 | A | 44.6 | Very low | 45.4 | Very low | 66 Ų | 66 | 107.2 Ų | 107.2 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.3 | -24 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | N145 | N145-A147 PolarHBondContact O-N 3.48Å; N145-A147 WeakPolarHBondContact OD1-CB 3.27Å; N145-A147 PolarHBondContact OD1-N 2.98Å; N145-A147 VanDerWaalsContact OD1-N 3.08Å |
| 148 | K | 45.2 | Very low | 44.3 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 66% | 0.661 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -82.2 | -31.7 | 167.4 | -78.3 | -175 | 176.5 | -179.6 | 0 | 111.4 | N145 P146 V152 | N145-K148 HydrophobicContact CB-CB 4.4Å; N145-K148 WeakPolarHBondContact O-CA 3.27Å; N145-K148 PolarHBondContact O-N 3.01Å; P146-K148 VanDerWaalsContact C-N 3.32Å; P146-K148 PolarHBondContact O-N 3.46Å; K148-V152 WeakPolarHBondContact O-CB 3.25Å; K148-V152 WeakPolarHBondContact O-CG2 3.43Å; K148-V152 PolarHBondContact O-N 3.46Å |
| 149 | M | 38.7 | Very low | 43.3 | Very low | 89 Ų | 89 | 114 Ų | 114 | 44% | 0.438 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.2 | -35.3 | 173.8 | -63.5 | -176.1 | 76 | 0 | 0 | 112.4 | P144 N145 P146 V152 Q153 | P144-M149 HydrophobicContact CB-SD 4.12Å; P144-M149 HydrophobicContact CG-SD 4.07Å; N145-M149 PolarHBondContact O-N 3.34Å; N145-M149 VanDerWaalsContact O-N 3.07Å; P146-M149 PolarHBondContact O-N 2.94Å; M149-V152 CarbonylContact O-C 3.57Å; M149-V152 PolarHBondContact O-N 3.06Å; M149-Q153 VanDerWaalsContact O-CB 3.28Å; M149-Q153 WeakPolarHBondContact O-CB 3.5Å; M149-Q153 WeakPolarHBondContact O-CG 3.38Å; M149-Q153 PolarHBondContact O-N 3.49Å |
| 150 | A | 37.6 | Very low | 43.3 | Very low | 56 Ų | 56 | 112.2 Ų | 112.2 | 46% | 0.463 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.7 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P146 Q153 T154 | P146-A150 PolarHBondContact O-N 2.96Å; A150-Q153 PolarHBondContact O-N 3.1Å; A150-T154 PolarHBondContact O-N 2.99Å; A150-T154 VanDerWaalsContact O-N 3.1Å; A150-T154 PolarHBondContact O-OG1 3.39Å |
| 151 | K | 36.8 | Very low | 43.9 | Very low | 167 Ų | 167 | 110.9 Ų | 110.9 | 73% | 0.726 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.7 | -28.3 | 172.8 | -112.2 | 178.9 | 179.8 | 178.6 | 0 | 113.2 | A155 | K151-A155 WeakPolarHBondContact O-CB 3.3Å; K151-A155 PolarHBondContact O-N 3.13Å; K151-A155 VanDerWaalsContact O-N 3.15Å |
| 152 | V | 39.8 | Very low | 44.9 | Very low | 93 Ų | 93 | 106.5 Ų | 106.5 | 56% | 0.564 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -77.2 | -29.6 | 172.8 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | K148 M149 A156 | K148-V152 WeakPolarHBondContact O-CB 3.25Å; K148-V152 WeakPolarHBondContact O-CG2 3.43Å; K148-V152 PolarHBondContact O-N 3.46Å; M149-V152 CarbonylContact O-C 3.57Å; M149-V152 PolarHBondContact O-N 3.06Å; V152-A156 WeakPolarHBondContact O-CA 3.39Å; V152-A156 WeakPolarHBondContact O-CB 3.38Å; V152-A156 PolarHBondContact O-N 3.11Å |
| 153 | Q | 38.8 | Very low | 46.2 | Very low | 133 Ų | 133 | 101.5 Ų | 101.5 | 62% | 0.621 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -77.2 | -33.4 | 175.6 | -76.1 | 172.6 | 7.1 | 0 | 0 | 112.5 | M149 A150 | M149-Q153 VanDerWaalsContact O-CB 3.28Å; M149-Q153 WeakPolarHBondContact O-CB 3.5Å; M149-Q153 WeakPolarHBondContact O-CG 3.38Å; M149-Q153 PolarHBondContact O-N 3.49Å; A150-Q153 PolarHBondContact O-N 3.1Å |
| 154 | T | 35.9 | Very low | 47.8 | Very low | 111 Ų | 111 | 94.6 Ų | 94.6 | 68% | 0.681 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -80.8 | -15.4 | 171.6 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | A150 | A150-T154 PolarHBondContact O-N 2.99Å; A150-T154 VanDerWaalsContact O-N 3.1Å; A150-T154 PolarHBondContact O-OG1 3.39Å |
| 155 | A | 35.4 | Very low | 49.1 | Very low | 62 Ų | 62 | 94.9 Ų | 94.9 | 51% | 0.512 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -95 | -28.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K151 A157 K158 | K151-A155 WeakPolarHBondContact O-CB 3.3Å; K151-A155 PolarHBondContact O-N 3.13Å; K151-A155 VanDerWaalsContact O-N 3.15Å; A155-A157 PolarHBondContact O-N 3.22Å; A155-K158 CarbonylContact O-C 3.57Å; A155-K158 PolarHBondContact O-N 3Å; A155-K158 VanDerWaalsContact O-N 3.15Å |
| 156 | A | 32 | Very low | 50.7 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 59% | 0.587 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.9 | -15.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V152 K158 | V152-A156 WeakPolarHBondContact O-CA 3.39Å; V152-A156 WeakPolarHBondContact O-CB 3.38Å; V152-A156 PolarHBondContact O-N 3.11Å; A156-K158 PolarHBondContact O-N 3.16Å |
| 157 | A | 36.4 | Very low | 52.5 | Low | 81 Ų | 81 | 89.9 Ų | 89.9 | 67% | 0.669 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -4.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114 | A155 | A155-A157 PolarHBondContact O-N 3.22Š|
| 158 | K | 38.7 | Very low | 54.2 | Low | 173 Ų | 173 | 89.7 Ų | 89.7 | 75% | 0.752 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -148.3 | 63 | 165.7 | -72.6 | -170.4 | 178.1 | -176.9 | 0 | 110.4 | A155 A156 E160 | A155-K158 CarbonylContact O-C 3.57Å; A155-K158 PolarHBondContact O-N 3Å; A155-K158 VanDerWaalsContact O-N 3.15Å; A156-K158 PolarHBondContact O-N 3.16Å; K158-E160 PolarHBondContact O-N 2.88Å |
| 159 | A | 43.4 | Very low | 55.9 | Low | 84 Ų | 84 | 86.6 Ų | 86.6 | 69% | 0.694 | 49% | 0.485 | S | S | * | . | trans | -71.4 | 91.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 105.5 | K161 | A159-K161 PolarHBondContact O-N 2.98Å; A159-K161 VanDerWaalsContact O-N 3.1Å | ||
| 160 | E | 62.8 | Low | 57.9 | Low | 167 Ų | 167 | 86.3 Ų | 86.3 | 78% | 0.78 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 121.6 | 173.9 | -72.4 | -177.8 | 169.3 | 0 | 0 | 107.5 | K158 | K158-E160 PolarHBondContact O-N 2.88Š|
| 161 | K | 68.6 | Low | 59.8 | Low | 113 Ų | 113 | 85.2 Ų | 85.2 | 49% | 0.491 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 135.3 | 177.5 | -68.6 | -176.9 | -177.5 | -169.8 | 0 | 107.4 | A159 V166 E169 | A159-K161 PolarHBondContact O-N 2.98Å; A159-K161 VanDerWaalsContact O-N 3.1Å; K161-V166 HydrophobicContact CB-CG2 3.55Å; K161-V166 HydrophobicContact CD-CG2 4.39Å; K161-E169 IonicContact NZ-OE1 2.67Å; K161-E169 PolarHBondContact NZ-OE1 3.3Å; K161-E169 IonicContact NZ-OE2 2.79Å; K161-E169 PolarHBondContact NZ-OE2 3.27Å |
| 162 | P | 75.6 | Confident | 61.8 | Low | 35 Ų | 35 | 81 Ų | 81 | 23% | 0.227 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 139.8 | -179.7 | 22.2 | -31.9 | 0 | 0 | 0 | 109.2 | R164 M165 V166 Y292 | P162-R164 PolarHBondContact O-N 3.1Å; P162-M165 HydrophobicContact CG-CB 4.08Å; P162-M165 HydrophobicContact CG-CG 3.63Å; P162-M165 PolarHBondContact O-N 3.12Å; P162-V166 PolarHBondContact O-N 2.85Å; P162-Y292 HydrophobicContact CB-CE1 3.84Å |
| 163 | P | 77.8 | Confident | 63.5 | Low | 41 Ų | 41 | 83.9 Ų | 83.9 | 27% | 0.266 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -50 | -36.7 | -172.3 | -30.6 | 34.8 | 0 | 0 | 0 | 113.5 | M165 V166 W167 Y292 | P163-M165 PolarHBondContact O-N 3.15Å; P163-V166 PolarHBondContact O-N 3.5Å; P163-W167 WeakPolarHBondContact O-CB 3.39Å; P163-W167 PolarHBondContact O-N 3.41Å; P163-Y292 HydrophobicContact CG-CD1 4.34Å |
| 164 | R | 77.6 | Confident | 65.2 | Low | 30 Ų | 30 | 80 Ų | 80 | 11% | 0.113 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -54.1 | -46.4 | 173.4 | 175.2 | 173.4 | -179.3 | -174.7 | 6.4 | 114.8 | P162 L168 G278 V280 N285 | P162-R164 PolarHBondContact O-N 3.1Å; R164-L168 HydrophobicContact CG-CD1 4.2Å; R164-L168 WeakPolarHBondContact O-CG 3.29Å; R164-L168 PolarHBondContact O-N 3.5Å; R164-G278 WeakPolarHBondContact CA-O 3.38Å; R164-G278 WeakPolarHBondContact CB-O 3.42Å; R164-G278 PolarHBondContact N-O 2.98Å; R164-V280 HydrophobicContact CB-CG2 4.2Å; R164-V280 HydrophobicContact CG-CG2 3.65Å; R164-N285 PolarHBondContact NH1-O 3.48Å; R164-N285 PolarHBondContact NH2-O 3.18Å |
| 165 | M | 71.9 | Confident | 66.5 | Low | 94 Ų | 94 | 82 Ų | 82 | 46% | 0.463 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -72.5 | -37.7 | -177.7 | -69.2 | -66.9 | -66 | 0 | 0 | 110.8 | P162 P163 W167 L168 E169 | P162-M165 HydrophobicContact CG-CB 4.08Å; P162-M165 HydrophobicContact CG-CG 3.63Å; P162-M165 PolarHBondContact O-N 3.12Å; P163-M165 PolarHBondContact O-N 3.15Å; M165-W167 VanDerWaalsContact C-N 3.35Å; M165-L168 PolarHBondContact O-N 3.48Å; M165-E169 WeakPolarHBondContact O-CB 3.43Å; M165-E169 VanDerWaalsContact O-CG 3.3Å; M165-E169 WeakPolarHBondContact O-CG 3.33Å; M165-E169 PolarHBondContact O-N 3.2Å |
| 166 | V | 81.4 | Confident | 68.1 | Low | 63 Ų | 63 | 84.9 Ų | 84.9 | 38% | 0.382 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 174.6 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | K161 P162 P163 L168 E169 E170 | K161-V166 HydrophobicContact CB-CG2 3.55Å; K161-V166 HydrophobicContact CD-CG2 4.39Å; P162-V166 PolarHBondContact O-N 2.85Å; P163-V166 PolarHBondContact O-N 3.5Å; V166-L168 PolarHBondContact O-N 3.44Å; V166-E169 PolarHBondContact O-N 3.15Å; V166-E170 WeakPolarHBondContact O-CB 3.39Å; V166-E170 PolarHBondContact O-N 3.21Å |
| 167 | W | 83.8 | Confident | 69.9 | Low | 6 Ų | 6 | 91.6 Ų | 91.6 | 2% | 0.023 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 177.8 | -178.6 | 77.5 | 0 | 0 | 0 | 112.6 | P163 M165 E170 Q171 Y270 E273 K274 | P163-W167 WeakPolarHBondContact O-CB 3.39Å; P163-W167 PolarHBondContact O-N 3.41Å; M165-W167 VanDerWaalsContact C-N 3.35Å; W167-E170 PolarHBondContact O-N 3.41Å; W167-Q171 HydrophobicContact CD2-CG 4.15Å; W167-Q171 HydrophobicContact CE3-CG 4.28Å; W167-Q171 HydrophobicContact CH2-CG 3.83Å; W167-Q171 HydrophobicContact CZ2-CG 3.69Å; W167-Q171 HydrophobicContact CZ3-CG 4.13Å; W167-Q171 WeakPolarHBondContact O-CG 3.38Å; W167-Q171 PolarHBondContact O-N 3.4Å; W167-Y270 HydrophobicContact CH2-CE2 4.03Å; W167-Y270 AromaticContact CZ2-CE2 3.93Å; W167-Y270 HydrophobicContact CZ2-CE2 3.93Å; W167-E273 PolarHBondContact NE1-OE1 3.13Å; W167-K274 HydrophobicContact CH2-CB 3.97Å; W167-K274 HydrophobicContact CH2-CD 4.05Å; W167-K274 HydrophobicContact CH2-CG 3.77Å; W167-K274 HydrophobicContact CZ2-CB 4Å; W167-K274 HydrophobicContact CZ2-CG 4.29Å; W167-K274 HydrophobicContact CZ3-CG 4.13Å |
| 168 | L | 79.8 | Confident | 70.9 | Confident | 62 Ų | 62 | 92.8 Ų | 92.8 | 33% | 0.325 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 175.8 | -75.4 | 168 | 0 | 0 | 0 | 112.3 | R164 M165 V166 E170 Q171 V172 | R164-L168 HydrophobicContact CG-CD1 4.2Å; R164-L168 WeakPolarHBondContact O-CG 3.29Å; R164-L168 PolarHBondContact O-N 3.5Å; M165-L168 PolarHBondContact O-N 3.48Å; V166-L168 PolarHBondContact O-N 3.44Å; L168-E170 PolarHBondContact O-N 3.45Å; L168-Q171 PolarHBondContact O-N 3.14Å; L168-V172 WeakPolarHBondContact O-CG2 3.46Å; L168-V172 PolarHBondContact O-N 3.14Å |
| 169 | E | 81.4 | Confident | 71.5 | Confident | 88 Ų | 88 | 88.6 Ų | 88.6 | 41% | 0.411 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 174.8 | -73.2 | 173.2 | -178.2 | 0 | 0 | 111.4 | K161 M165 V166 K173 | K161-E169 IonicContact NZ-OE1 2.67Å; K161-E169 PolarHBondContact NZ-OE1 3.3Å; K161-E169 IonicContact NZ-OE2 2.79Å; K161-E169 PolarHBondContact NZ-OE2 3.27Å; M165-E169 WeakPolarHBondContact O-CB 3.43Å; M165-E169 VanDerWaalsContact O-CG 3.3Å; M165-E169 WeakPolarHBondContact O-CG 3.33Å; M165-E169 PolarHBondContact O-N 3.2Å; V166-E169 PolarHBondContact O-N 3.15Å; E169-K173 WeakPolarHBondContact O-CB 3.43Å; E169-K173 PolarHBondContact O-N 3.29Å |
| 170 | E | 80.4 | Confident | 71.6 | Confident | 83 Ų | 83 | 86.7 Ų | 86.7 | 39% | 0.388 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -72.7 | -34 | 178.5 | -166.9 | 162.8 | -158.9 | 0 | 0 | 113 | V166 W167 L168 R174 L221 | V166-E170 WeakPolarHBondContact O-CB 3.39Å; V166-E170 PolarHBondContact O-N 3.21Å; W167-E170 PolarHBondContact O-N 3.41Å; L168-E170 PolarHBondContact O-N 3.45Å; E170-R174 PolarHBondContact O-N 3.28Å; E170-L221 HydrophobicContact CG-CD1 4.35Å; E170-L221 WeakPolarHBondContact OE1-CD2 3.47Å |
| 171 | Q | 77 | Confident | 70.5 | Confident | 33 Ų | 33 | 81.1 Ų | 81.1 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 170.5 | -67.8 | -48.2 | -73.3 | 0 | 0 | 111.6 | W167 L168 K173 R174 R175 E273 | W167-Q171 HydrophobicContact CD2-CG 4.15Å; W167-Q171 HydrophobicContact CE3-CG 4.28Å; W167-Q171 HydrophobicContact CH2-CG 3.83Å; W167-Q171 HydrophobicContact CZ2-CG 3.69Å; W167-Q171 HydrophobicContact CZ3-CG 4.13Å; W167-Q171 WeakPolarHBondContact O-CG 3.38Å; W167-Q171 PolarHBondContact O-N 3.4Å; L168-Q171 PolarHBondContact O-N 3.14Å; Q171-K173 VanDerWaalsContact C-N 3.31Å; Q171-K173 PolarHBondContact O-N 3.26Å; Q171-R174 PolarHBondContact O-N 3.1Å; Q171-R175 WeakPolarHBondContact O-CB 3.39Å; Q171-R175 PolarHBondContact O-N 3.11Å; Q171-E273 PolarHBondContact NE2-OE1 3.37Å |
| 172 | V | 79.2 | Confident | 68.9 | Low | 79 Ų | 79 | 82.6 Ų | 82.6 | 48% | 0.479 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 177.3 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | L168 R174 R175 E176 | L168-V172 WeakPolarHBondContact O-CG2 3.46Å; L168-V172 PolarHBondContact O-N 3.14Å; V172-R174 VanDerWaalsContact C-N 3.33Å; V172-R174 PolarHBondContact O-N 3.41Å; V172-R175 PolarHBondContact O-N 2.89Å; V172-E176 HydrophobicContact CG1-CG 4.32Å; V172-E176 WeakPolarHBondContact O-CB 3.46Å; V172-E176 WeakPolarHBondContact O-CG 3.3Å; V172-E176 PolarHBondContact O-N 3.02Å |
| 173 | K | 76.1 | Confident | 66.7 | Low | 152 Ų | 152 | 84 Ų | 84 | 66% | 0.661 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.7 | -34.8 | 177.7 | -170.9 | 178.7 | -179.7 | -177.3 | 0 | 113.4 | E169 Q171 R177 | E169-K173 WeakPolarHBondContact O-CB 3.43Å; E169-K173 PolarHBondContact O-N 3.29Å; Q171-K173 VanDerWaalsContact C-N 3.31Å; Q171-K173 PolarHBondContact O-N 3.26Å; K173-R177 WeakPolarHBondContact O-CB 3.47Å; K173-R177 PolarHBondContact O-N 3.41Å; K173-R177 VanDerWaalsContact O-N 3.09Å |
| 174 | R | 74.4 | Confident | 64.6 | Low | 52 Ų | 52 | 86.1 Ų | 86.1 | 20% | 0.196 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.3 | -46.3 | 173.7 | -91.5 | 176.9 | 62.2 | -159.7 | -8.4 | 111.2 | E170 Q171 V172 E176 R177 E178 S218 E273 | E170-R174 PolarHBondContact O-N 3.28Å; Q171-R174 PolarHBondContact O-N 3.1Å; V172-R174 VanDerWaalsContact C-N 3.33Å; V172-R174 PolarHBondContact O-N 3.41Å; R174-E176 PolarHBondContact O-N 3.23Å; R174-R177 WeakPolarHBondContact O-CB 3.18Å; R174-R177 PolarHBondContact O-N 3.04Å; R174-R177 VanDerWaalsContact O-N 3.12Å; R174-E178 WeakPolarHBondContact O-CG 2.98Å; R174-E178 PolarHBondContact O-N 3.33Å; R174-S218 VanDerWaalsContact CZ-OG 3.24Å; R174-S218 PolarHBondContact NE-OG 3.44Å; R174-S218 PolarHBondContact NH2-OG 3.49Å; R174-E273 IonicContact NH1-OE1 2.78Å; R174-E273 IonicContact NH1-OE2 3.79Å; R174-E273 PolarHBondContact NH1-OE2 3.37Å |
| 175 | R | 62.5 | Low | 62.4 | Low | 153 Ų | 153 | 88.6 Ų | 88.6 | 58% | 0.577 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.7 | -44.2 | 176.8 | -168.7 | 172.9 | -175.6 | -75.1 | -12.1 | 111.6 | Q171 V172 R177 E178 E179 | Q171-R175 WeakPolarHBondContact O-CB 3.39Å; Q171-R175 PolarHBondContact O-N 3.11Å; V172-R175 PolarHBondContact O-N 2.89Å; R175-R177 VanDerWaalsContact C-N 3.3Å; R175-R177 PolarHBondContact O-N 3.36Å; R175-E178 PolarHBondContact O-N 3.05Å; R175-E179 HydrophobicContact CG-CG 4.46Å; R175-E179 IonicContact CZ-OE1 3.12Å; R175-E179 IonicContact CZ-OE2 3.89Å; R175-E179 IonicContact NE-OE1 3.92Å; R175-E179 VanDerWaalsContact NH1-CD 3.32Å; R175-E179 IonicContact NH1-OE1 2.63Å; R175-E179 PolarHBondContact NH1-OE1 3.11Å; R175-E179 IonicContact NH1-OE2 3.06Å; R175-E179 PolarHBondContact NH1-OE2 3.43Å; R175-E179 VanDerWaalsContact NH1-OE2 3.12Å; R175-E179 IonicContact NH2-OE1 3.88Å; R175-E179 PolarHBondContact NH2-OE1 2.79Å; R175-E179 WeakPolarHBondContact O-CB 3.45Å; R175-E179 WeakPolarHBondContact O-CG 3.15Å; R175-E179 PolarHBondContact O-N 3.17Å |
| 176 | E | 68.3 | Low | 60.7 | Low | 122 Ų | 122 | 91.7 Ų | 91.7 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.5 | -32 | 174.5 | -73 | 175.1 | 166.2 | 0 | 0 | 113.1 | V172 R174 G180 | V172-E176 HydrophobicContact CG1-CG 4.32Å; V172-E176 WeakPolarHBondContact O-CB 3.46Å; V172-E176 WeakPolarHBondContact O-CG 3.3Å; V172-E176 PolarHBondContact O-N 3.02Å; R174-E176 PolarHBondContact O-N 3.23Å; E176-G180 WeakPolarHBondContact O-CA 3.45Å; E176-G180 PolarHBondContact O-N 2.93Å |
| 177 | R | 70.1 | Confident | 58.2 | Low | 212 Ų | 212 | 97.4 Ų | 97.4 | 80% | 0.8 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -74.8 | -35.5 | 175.5 | -175.9 | -179.6 | 179.3 | -158.1 | -1.3 | 112.1 | K173 R174 R175 G181 | K173-R177 WeakPolarHBondContact O-CB 3.47Å; K173-R177 PolarHBondContact O-N 3.41Å; K173-R177 VanDerWaalsContact O-N 3.09Å; R174-R177 WeakPolarHBondContact O-CB 3.18Å; R174-R177 PolarHBondContact O-N 3.04Å; R174-R177 VanDerWaalsContact O-N 3.12Å; R175-R177 VanDerWaalsContact C-N 3.3Å; R175-R177 PolarHBondContact O-N 3.36Å; R177-G181 PolarHBondContact O-N 3.06Å |
| 178 | E | 58 | Low | 55.7 | Low | 106 Ų | 106 | 105.5 Ų | 105.5 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.3 | -49.1 | 176.1 | -72 | 166.1 | -172.9 | 0 | 0 | 110 | R174 R175 G180 G181 | R174-E178 WeakPolarHBondContact O-CG 2.98Å; R174-E178 PolarHBondContact O-N 3.33Å; R175-E178 PolarHBondContact O-N 3.05Å; E178-G180 PolarHBondContact O-N 3.4Å; E178-G181 PolarHBondContact O-N 3.02Å |
| 179 | E | 52 | Low | 53.4 | Low | 86 Ų | 86 | 114.1 Ų | 114.1 | 40% | 0.402 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.4 | -36 | 175.4 | -69.3 | 177.6 | 153 | 0 | 0 | 112.5 | R175 G181 E182 A183 | R175-E179 HydrophobicContact CG-CG 4.46Å; R175-E179 IonicContact CZ-OE1 3.12Å; R175-E179 IonicContact CZ-OE2 3.89Å; R175-E179 IonicContact NE-OE1 3.92Å; R175-E179 VanDerWaalsContact NH1-CD 3.32Å; R175-E179 IonicContact NH1-OE1 2.63Å; R175-E179 PolarHBondContact NH1-OE1 3.11Å; R175-E179 IonicContact NH1-OE2 3.06Å; R175-E179 PolarHBondContact NH1-OE2 3.43Å; R175-E179 VanDerWaalsContact NH1-OE2 3.12Å; R175-E179 IonicContact NH2-OE1 3.88Å; R175-E179 PolarHBondContact NH2-OE1 2.79Å; R175-E179 WeakPolarHBondContact O-CB 3.45Å; R175-E179 WeakPolarHBondContact O-CG 3.15Å; R175-E179 PolarHBondContact O-N 3.17Å; E179-G181 VanDerWaalsContact C-N 3.29Å; E179-G181 PolarHBondContact O-N 3.5Å; E179-E182 PolarHBondContact O-N 3.21Å; E179-A183 PolarHBondContact O-N 2.95Å |
| 180 | G | 43.9 | Very low | 51 | Low | 44 Ų | 44 | 118.8 Ų | 118.8 | 45% | 0.454 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -74.8 | -15.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | E176 E178 | E176-G180 WeakPolarHBondContact O-CA 3.45Å; E176-G180 PolarHBondContact O-N 2.93Å; E178-G180 PolarHBondContact O-N 3.4Å |
| 181 | G | 40.4 | Very low | 48.6 | Very low | 49 Ų | 49 | 122.2 Ų | 122.2 | 51% | 0.505 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -78.5 | -28.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R177 E178 E179 | R177-G181 PolarHBondContact O-N 3.06Å; E178-G181 PolarHBondContact O-N 3.02Å; E179-G181 VanDerWaalsContact C-N 3.29Å; E179-G181 PolarHBondContact O-N 3.5Å |
| 182 | E | 35.2 | Very low | 46.5 | Very low | 145 Ų | 145 | 127.5 Ų | 127.5 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79.1 | -35.4 | 175.8 | -68.2 | 176.8 | 161.4 | 0 | 0 | 111.6 | E179 A184 A185 | E179-E182 PolarHBondContact O-N 3.21Å; E182-A184 PolarHBondContact O-N 2.99Å; E182-A185 PolarHBondContact O-N 3.41Å; E182-A185 VanDerWaalsContact O-N 3.14Å |
| 183 | A | 30.2 | Very low | 44.2 | Very low | 65 Ų | 65 | 131.4 Ų | 131.4 | 54% | 0.537 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.6 | -19.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E179 | E179-A183 PolarHBondContact O-N 2.95Š|
| 184 | A | 32.3 | Very low | 42 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -9.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | E182 | E182-A184 PolarHBondContact O-N 2.99Š|
| 185 | A | 33 | Very low | 39.9 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 69% | 0.686 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -96 | -5.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E182 | E182-A185 PolarHBondContact O-N 3.41Å; E182-A185 VanDerWaalsContact O-N 3.14Å |
| 186 | E | 34.3 | Very low | 38.4 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -104.3 | -0.4 | -177.7 | -68.5 | -168.2 | 160.5 | 0 | 0 | 114.7 | ||
| 187 | E | 30.5 | Very low | 36.7 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -109 | 28.5 | 179.9 | -69.4 | -159.7 | 166.1 | 0 | 0 | 114.9 | ||
| 188 | E | 31.4 | Very low | 34.9 | Very low | 176 Ų | 176 | 133 Ų | 133 | 82% | 0.822 | 72% | 0.715 | S | S | * | * | trans | -118.8 | 73.6 | 169.2 | -166.3 | 171.9 | -175.1 | 0 | 0 | 110.7 | ||||
| 189 | W | 31.7 | Very low | 33.6 | Very low | 242 Ų | 242 | 136.5 Ų | 136.5 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | trans | -121.4 | 73.9 | 160.2 | -68.4 | 97.1 | 0 | 0 | 0 | 107.5 | ||||
| 190 | E | 30.1 | Very low | 32.6 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | trans | -93.4 | 142.2 | 162 | -81.8 | -170 | 162.1 | 0 | 0 | 109.8 | ||||
| 191 | D | 29.5 | Very low | 31.8 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -56.3 | 136.1 | -164.3 | -61.1 | -69.8 | 0 | 0 | 0 | 114.7 | D193 | D191-D193 PolarHBondContact O-N 3.44Š| ||
| 192 | V | 32.8 | Very low | 31.3 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | trans | -73.9 | 104.7 | 169 | 178.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 193 | D | 31.3 | Very low | 30.9 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | -104.1 | 134.4 | 158.8 | -96.2 | -31.8 | 0 | 0 | 0 | 110 | D191 | D191-D193 PolarHBondContact O-N 3.44Š| ||
| 194 | D | 30.1 | Very low | 30.9 | Very low | 137 Ų | 137 | 157 Ų | 157 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | trans | -80.9 | 158.6 | -171.7 | -156.1 | 13.4 | 0 | 0 | 0 | 112.1 | ||||
| 195 | D | 30.9 | Very low | 30.7 | Very low | 132 Ų | 132 | 162.4 Ų | 162.4 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | 85.8 | 130.4 | 160.8 | -73.1 | -33.1 | 0 | 0 | 0 | 123.6 | ||||
| 196 | D | 31.3 | Very low | 30.5 | Very low | 146 Ų | 146 | 167 Ų | 167 | 78% | 0.781 | 83% | 0.829 | S | S | * | * | trans | 93.7 | 105 | 144.7 | -75.9 | -22.9 | 0 | 0 | 0 | 122.6 | ||||
| 197 | D | 32.9 | Very low | 30.3 | Very low | 137 Ų | 137 | 169.2 Ų | 169.2 | 73% | 0.733 | 84% | 0.839 | S | S | * | * | 77.2 | 106.5 | 117.5 | -152.4 | 28.5 | 0 | 0 | 0 | 119.8 | |||||
| 198 | M | 30.4 | Very low | 30 | Very low | 172 Ų | 172 | 169 Ų | 169 | 85% | 0.847 | 84% | 0.84 | S | S | * | * | 170 | 132.3 | 113.3 | -90.3 | -162 | -142.6 | 0 | 0 | 113.1 | |||||
| 199 | E | 32.3 | Very low | 29.7 | Very low | 179 Ų | 179 | 169.3 Ų | 169.3 | 84% | 0.836 | 84% | 0.842 | S | S | * | * | trans | -72.9 | 145.7 | 164.1 | -62.8 | 177.9 | 156.3 | 0 | 0 | 111.7 | ||||
| 200 | E | 29.5 | Very low | 29.3 | Very low | 188 Ų | 188 | 167.1 Ų | 167.1 | 88% | 0.879 | 84% | 0.842 | S | S | * | * | 166.2 | 143.3 | 116.7 | -93 | -174.3 | 170.1 | 0 | 0 | 112.5 | |||||
| 201 | D | 28.2 | Very low | 29 | Very low | 152 Ų | 152 | 166.8 Ų | 166.8 | 81% | 0.813 | 84% | 0.84 | S | S | * | * | trans | -60.6 | 149.4 | -174 | -52.5 | -67.4 | 0 | 0 | 0 | 116 | ||||
| 202 | V | 28.7 | Very low | 28.9 | Very low | 135 Ų | 135 | 167.4 Ų | 167.4 | 82% | 0.818 | 84% | 0.838 | S | S | * | * | trans | -156.8 | 122.3 | 132 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 203 | D | 28.2 | Very low | 28.8 | Very low | 162 Ų | 162 | 164.7 Ų | 164.7 | 87% | 0.866 | 84% | 0.839 | S | S | * | * | trans | -62.9 | 126.7 | 163.2 | -78.2 | -55.9 | 0 | 0 | 0 | 111.7 | ||||
| 204 | E | 30 | Very low | 28.5 | Very low | 183 Ų | 183 | 160.8 Ų | 160.8 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | -147 | 108.7 | 154.3 | -108.3 | 171.7 | -164.9 | 0 | 0 | 109.9 | E206 | E204-E206 PolarHBondContact O-N 2.88Š| ||
| 205 | E | 28.1 | Very low | 28.4 | Very low | 197 Ų | 197 | 159.5 Ų | 159.5 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -67.2 | 109.9 | 168.8 | -65.4 | -179.1 | 161.6 | 0 | 0 | 109.6 | ||||
| 206 | E | 28.2 | Very low | 28.4 | Very low | 180 Ų | 180 | 156.6 Ų | 156.6 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | trans | -134.2 | 128.8 | 156.4 | -78.8 | -161.3 | 156.3 | 0 | 0 | 111.4 | E204 M208 | E204-E206 PolarHBondContact O-N 2.88Å; E206-M208 PolarHBondContact O-N 3.43Å | ||
| 207 | Q | 30.4 | Very low | 28.7 | Very low | 205 Ų | 205 | 154.7 Ų | 154.7 | 96% | 0.958 | 82% | 0.821 | S | S | * | * | trans | -53.7 | 115.2 | 178 | -77.4 | 153.4 | 1.6 | 0 | 0 | 111.5 | ||||
| 208 | M | 23.8 | Very low | 29.3 | Very low | 180 Ų | 180 | 150 Ų | 150 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -123.2 | 132.5 | 157.4 | -101.6 | -177.8 | -97.1 | 0 | 0 | 109.3 | E206 | E206-M208 PolarHBondContact O-N 3.43Š| ||
| 209 | E | 24.7 | Very low | 30.3 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -52.7 | 135.2 | -170.7 | -61.8 | 170.2 | 150.4 | 0 | 0 | 111.5 | E211 | E209-E211 PolarHBondContact O-N 2.91Š| ||
| 210 | E | 23.8 | Very low | 31.4 | Very low | 196 Ų | 196 | 140.3 Ų | 140.3 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -62.1 | 83.8 | 165.7 | -69.8 | 177.5 | 157.8 | 0 | 0 | 108.5 | E212 | E210-E212 PolarHBondContact O-N 3.02Å; E210-E212 VanDerWaalsContact O-N 3.09Å | ||
| 211 | E | 24.6 | Very low | 33 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 84% | 0.841 | 74% | 0.737 | S | S | * | * | trans | -64.2 | 103.9 | 158.1 | -85.5 | -93.6 | 144.6 | 0 | 0 | 106.4 | E209 G213 | E209-E211 PolarHBondContact O-N 2.91Å; E211-G213 PolarHBondContact O-N 3.39Å; E211-G213 VanDerWaalsContact O-N 3.1Å | ||
| 212 | E | 28 | Very low | 34.9 | Very low | 168 Ų | 168 | 131 Ų | 131 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -50.3 | 118 | 177.2 | -67.6 | -158.4 | 162.2 | 0 | 0 | 110.7 | E210 S214 | E210-E212 PolarHBondContact O-N 3.02Å; E210-E212 VanDerWaalsContact O-N 3.09Å; E212-S214 PolarHBondContact O-N 2.91Å | ||
| 213 | G | 28.9 | Very low | 37.1 | Very low | 86 Ų | 86 | 127.1 Ų | 127.1 | 89% | 0.887 | 72% | 0.723 | S | S | * | * | trans | -61.1 | 74.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | E211 S215 | E211-G213 PolarHBondContact O-N 3.39Å; E211-G213 VanDerWaalsContact O-N 3.1Å; G213-S215 PolarHBondContact O-N 3.46Å | ||
| 214 | S | 25.2 | Very low | 39.7 | Very low | 81 Ų | 81 | 121 Ų | 121 | 57% | 0.566 | 69% | 0.694 | S | S | * | * | trans | -87.4 | 92.6 | 174.4 | -166.1 | 0 | 0 | 0 | 0 | 108.4 | E212 G216 | E212-S214 PolarHBondContact O-N 2.91Å; S214-G216 PolarHBondContact O-N 3.27Å | ||
| 215 | S | 27.7 | Very low | 42.4 | Very low | 110 Ų | 110 | 113.4 Ų | 113.4 | 77% | 0.769 | 66% | 0.659 | S | S | * | * | trans | -37.6 | 113.8 | 156.9 | 151.5 | 0 | 0 | 0 | 0 | 109 | G213 T217 | G213-S215 PolarHBondContact O-N 3.46Å; S215-T217 VanDerWaalsContact C-N 3.31Å; S215-T217 PolarHBondContact O-N 2.94Å | ||
| 216 | G | 31.7 | Very low | 45.3 | Very low | 70 Ų | 70 | 107.1 Ų | 107.1 | 72% | 0.722 | 64% | 0.636 | S | S | * | * | trans | -61.2 | 73.5 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | S214 S218 | S214-G216 PolarHBondContact O-N 3.27Å; G216-S218 VanDerWaalsContact C-N 3.29Å; G216-S218 PolarHBondContact O-N 3.42Å | ||
| 217 | T | 37.1 | Very low | 48.3 | Very low | 106 Ų | 106 | 100.3 Ų | 100.3 | 65% | 0.65 | 61% | 0.606 | S | S | * | * | trans | -75.3 | 86.8 | 160.5 | 174.9 | 0 | 0 | 0 | 0 | 108.5 | S215 G219 | S215-T217 VanDerWaalsContact C-N 3.31Å; S215-T217 PolarHBondContact O-N 2.94Å; T217-G219 PolarHBondContact O-N 3.29Å | ||
| 218 | S | 46.1 | Very low | 51.2 | Low | 40 Ų | 40 | 93 Ų | 93 | 28% | 0.28 | 58% | 0.576 | S | S | . | * | trans | -44.2 | 118.9 | 171.7 | 64.4 | 0 | 0 | 0 | 0 | 110.3 | R174 G216 R269 | R174-S218 VanDerWaalsContact CZ-OG 3.24Å; R174-S218 PolarHBondContact NE-OG 3.44Å; R174-S218 PolarHBondContact NH2-OG 3.49Å; G216-S218 VanDerWaalsContact C-N 3.29Å; G216-S218 PolarHBondContact O-N 3.42Å; S218-R269 PolarHBondContact O-NH1 2.96Å | ||
| 219 | G | 50.7 | Low | 54.4 | Low | 52 Ų | 52 | 87.5 Ų | 87.5 | 54% | 0.536 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 156 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T217 L221 | T217-G219 PolarHBondContact O-N 3.29Å; G219-L221 PolarHBondContact O-N 3.22Å |
| 220 | P | 55.7 | Low | 57.6 | Low | 94 Ų | 94 | 78.9 Ų | 78.9 | 61% | 0.61 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -60 | 129.5 | -177.7 | -17.7 | 29.1 | 0 | 0 | 0 | 111.4 | S224 | P220-S224 WeakPolarHBondContact CB-OG 3.45Š|
| 221 | L | 63.5 | Low | 60.9 | Low | 22 Ų | 22 | 69.6 Ų | 69.6 | 12% | 0.115 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 146.3 | 175.1 | -69.4 | -178.1 | 0 | 0 | 0 | 111.2 | E170 G219 G223 S224 E273 A277 | E170-L221 HydrophobicContact CG-CD1 4.35Å; E170-L221 WeakPolarHBondContact OE1-CD2 3.47Å; G219-L221 PolarHBondContact O-N 3.22Å; L221-G223 PolarHBondContact O-N 3.13Å; L221-S224 WeakPolarHBondContact O-CB 3.44Å; L221-S224 PolarHBondContact O-N 3.24Å; L221-S224 VanDerWaalsContact O-N 3.08Å; L221-S224 PolarHBondContact O-OG 3.16Å; L221-E273 HydrophobicContact CB-CG 4.32Å; L221-E273 HydrophobicContact CD1-CG 4.2Å; L221-E273 WeakPolarHBondContact CD1-OE1 3.38Å; L221-E273 HydrophobicContact CG-CG 4.48Å; L221-A277 HydrophobicContact CB-CB 4.4Å |
| 222 | P | 68 | Low | 64.1 | Low | 124 Ų | 124 | 61.2 Ų | 61.2 | 81% | 0.805 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 119.7 | 178.7 | 23.4 | -31.4 | 0 | 0 | 0 | 110.3 | ||
| 223 | G | 75.1 | Confident | 67.1 | Low | 52 Ų | 52 | 54.6 Ų | 54.6 | 54% | 0.536 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.7 | -0.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | L221 G276 A277 | L221-G223 PolarHBondContact O-N 3.13Å; G223-G276 CarbonylContact O-C 3.11Å; G223-G276 WeakPolarHBondContact O-CA 3.4Å; G223-A277 PolarHBondContact O-N 3.04Å |
| 224 | S | 83.6 | Confident | 69.9 | Low | 35 Ų | 35 | 56.1 Ų | 56.1 | 25% | 0.245 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 138.1 | 171.5 | 53 | 0 | 0 | 0 | 0 | 112.5 | P220 L221 | P220-S224 WeakPolarHBondContact CB-OG 3.45Å; L221-S224 WeakPolarHBondContact O-CB 3.44Å; L221-S224 PolarHBondContact O-N 3.24Å; L221-S224 VanDerWaalsContact O-N 3.08Å; L221-S224 PolarHBondContact O-OG 3.16Å |
| 225 | V | 86.3 | Confident | 73 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 124.4 | 172.7 | -179 | 0 | 0 | 0 | 0 | 108.3 | H229 L231 G272 | V225-H229 HydrophobicContact CG1-CB 3.68Å; V225-L231 HydrophobicContact CB-CD2 4.29Å; V225-L231 HydrophobicContact CG1-CD2 4.19Å; V225-G272 PolarHBondContact N-O 3.36Å; V225-G272 VanDerWaalsContact N-O 3.08Å |
| 226 | P | 89.2 | Confident | 76.1 | Confident | 65 Ų | 65 | 59.8 Ų | 59.8 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 152.5 | -179.6 | 29 | -35.5 | 0 | 0 | 0 | 110.8 | T228 H229 | P226-T228 PolarHBondContact O-N 3.19Å; P226-H229 HydrophobicContact CG-CB 3.96Å; P226-H229 PolarHBondContact O-N 2.84Å |
| 227 | V | 89.9 | Confident | 79 | Confident | 37 Ų | 37 | 56.9 Ų | 56.9 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -14.7 | 179.8 | -63.3 | 0 | 0 | 0 | 0 | 114.9 | L240 N243 V268 R269 | V227-L240 HydrophobicContact CB-CD1 4.12Å; V227-N243 PolarHBondContact O-ND2 2.97Å; V227-V268 HydrophobicContact CB-CG1 4.45Å; V227-V268 HydrophobicContact CG1-CG1 4.26Å; V227-R269 HydrophobicContact CG1-CB 4.17Å |
| 228 | T | 90.7 | Very high | 81.5 | Confident | 52 Ų | 52 | 63.2 Ų | 63.2 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -18.3 | 176 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | P226 S237 | P226-T228 PolarHBondContact O-N 3.19Å; T228-S237 WeakPolarHBondContact CB-O 3.43Å; T228-S237 WeakPolarHBondContact O-CA 3.4Å; T228-S237 PolarHBondContact O-N 3.04Å |
| 229 | H | 92.3 | Very high | 83.7 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 30% | 0.296 | 36% | 0.364 | S | S | . | . | B | Isolated β-bridge | trans | -96.1 | 142.8 | 177 | -82.3 | -119.4 | 0 | 0 | 0 | 111.3 | V225 P226 R236 N243 | V225-H229 HydrophobicContact CG1-CB 3.68Å; P226-H229 HydrophobicContact CG-CB 3.96Å; P226-H229 PolarHBondContact O-N 2.84Å; H229-R236 WeakPolarHBondContact NE2-CD 3.28Å; H229-N243 PolarHBondContact O-ND2 2.92Å |
| 230 | C | 92.6 | Very high | 85.6 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | trans | -64.3 | 139.8 | 174.5 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | F232 C233 H235 N243 H246 | C230-F232 VanDerWaalsContact C-N 3.3Å; C230-F232 PolarHBondContact O-N 3.3Å; C230-C233 VanDerWaalsContact CB-SG 3.52Å; C230-C233 VanDerWaalsContact O-O 3.12Å; C230-C233 PolarHBondContact SG-SG 3.3Å; C230-H235 HydrophobicContact CB-CB 4.21Å; C230-H235 WeakPolarHBondContact CB-O 3.43Å; C230-H235 PolarHBondContact N-O 3.06Å; C230-N243 WeakPolarHBondContact CA-OD1 2.97Å; C230-H246 VanDerWaalsContact SG-CD2 3.59Å | ||
| 231 | L | 91.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -70.7 | -27.3 | 179.4 | -59.6 | -177.3 | 0 | 0 | 0 | 112.9 | V225 M247 L271 Q298 | V225-L231 HydrophobicContact CB-CD2 4.29Å; V225-L231 HydrophobicContact CG1-CD2 4.19Å; L231-M247 HydrophobicContact CB-CE 3.91Å; L231-M247 HydrophobicContact CD1-CE 3.47Å; L231-M247 VanDerWaalsContact CD1-CE 3.47Å; L231-M247 HydrophobicContact CG-CE 3.59Å; L231-M247 HydrophobicContact CG-SD 4.25Å; L231-L271 HydrophobicContact CD1-CB 3.68Å; L231-L271 HydrophobicContact CD1-CD1 4.4Å; L231-Q298 WeakPolarHBondContact O-CG 3.31Å; L231-Q298 PolarHBondContact O-NE2 3.44Å |
| 232 | F | 92.4 | Very high | 88.7 | Confident | 3 Ų | 3 | 69.7 Ų | 69.7 | 1% | 0.013 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -108.2 | -10.5 | -169.5 | -47.5 | -63.2 | 0 | 0 | 0 | 114.1 | C230 M247 H251 F253 L282 M301 C307 | C230-F232 VanDerWaalsContact C-N 3.3Å; C230-F232 PolarHBondContact O-N 3.3Å; F232-M247 HydrophobicContact CD2-CE 4.17Å; F232-M247 HydrophobicContact CD2-CG 4.42Å; F232-M247 HydrophobicContact CE2-CB 4.43Å; F232-M247 HydrophobicContact CE2-CE 3.45Å; F232-M247 VanDerWaalsContact CE2-CE 3.45Å; F232-M247 HydrophobicContact CE2-CG 4.43Å; F232-M247 HydrophobicContact CZ-CE 4.05Å; F232-H251 HydrophobicContact CB-CB 4.45Å; F232-H251 HydrophobicContact CD2-CB 3.7Å; F232-H251 AromaticContact CD2-CD2 3.98Å; F232-H251 AromaticContact CD2-CG 3.84Å; F232-H251 HydrophobicContact CE2-CB 4.38Å; F232-H251 HydrophobicContact CG-CB 4.33Å; F232-F253 HydrophobicContact CE2-CB 3.72Å; F232-F253 AromaticContact CE2-CD2 3.73Å; F232-F253 HydrophobicContact CE2-CD2 3.73Å; F232-F253 AromaticContact CE2-CG 3.73Å; F232-F253 HydrophobicContact CE2-CG 3.73Å; F232-F253 HydrophobicContact CZ-CB 4.35Å; F232-F253 AromaticContact CZ-CD2 3.5Å; F232-F253 HydrophobicContact CZ-CD2 3.5Å; F232-F253 VanDerWaalsContact CZ-CD2 3.5Å; F232-F253 AromaticContact CZ-CE2 3.96Å; F232-F253 HydrophobicContact CZ-CE2 3.96Å; F232-F253 HydrophobicContact CZ-CG 4Å; F232-L282 HydrophobicContact CE1-CD1 4.12Å; F232-L282 HydrophobicContact CZ-CD1 4.25Å; F232-M301 HydrophobicContact CD1-CB 4.38Å; F232-M301 HydrophobicContact CD1-CE 3.89Å; F232-M301 HydrophobicContact CD1-SD 4.02Å; F232-M301 HydrophobicContact CE1-CE 3.43Å; F232-M301 VanDerWaalsContact CE1-CE 3.43Å; F232-M301 HydrophobicContact CE1-SD 4.11Å; F232-C307 HydrophobicContact CD1-CB 4.16Å; F232-C307 HydrophobicContact CD2-CB 4.32Å; F232-C307 HydrophobicContact CE1-CB 4.11Å; F232-C307 HydrophobicContact CE2-CB 4.25Å; F232-C307 HydrophobicContact CG-CB 4.27Å; F232-C307 HydrophobicContact CZ-CB 4.15Å |
| 233 | C | 90.3 | Very high | 89.9 | Confident | 30 Ų | 30 | 63.8 Ų | 63.8 | 20% | 0.203 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -149.8 | 174 | -178.2 | 72.4 | 0 | 0 | 0 | 0 | 111.8 | C230 H235 H246 H251 | C230-C233 VanDerWaalsContact CB-SG 3.52Å; C230-C233 VanDerWaalsContact O-O 3.12Å; C230-C233 PolarHBondContact SG-SG 3.3Å; C233-H235 PolarHBondContact O-N 3.25Å; C233-H235 VanDerWaalsContact O-N 3.15Å; C233-H235 WeakPolarHBondContact SG-CB 3.13Å; C233-H235 PolarHBondContact SG-N 3.3Å; C233-H246 PolarHBondContact SG-NE2 2.87Å; C233-H251 PolarHBondContact SG-NE2 3.02Å |
| 234 | S | 88.4 | Confident | 90.7 | Very high | 117 Ų | 117 | 62.3 Ų | 62.3 | 82% | 0.818 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -77 | 10.9 | 178.8 | 54.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 235 | H | 90.9 | Very high | 91.2 | Very high | 84 Ų | 84 | 62.8 Ų | 62.8 | 39% | 0.389 | 32% | 0.321 | S | S | . | . | trans | -76 | 129.7 | -178 | -174.7 | -95.8 | 0 | 0 | 0 | 112 | C230 C233 S237 H246 | C230-H235 HydrophobicContact CB-CB 4.21Å; C230-H235 WeakPolarHBondContact CB-O 3.43Å; C230-H235 PolarHBondContact N-O 3.06Å; C233-H235 PolarHBondContact O-N 3.25Å; C233-H235 VanDerWaalsContact O-N 3.15Å; C233-H235 WeakPolarHBondContact SG-CB 3.13Å; C233-H235 PolarHBondContact SG-N 3.3Å; H235-S237 PolarHBondContact CE1-OG 2.96Å; H235-S237 PolarHBondContact ND1-OG 2.86Å; H235-H246 AromaticContact CE1-ND1 3.95Å; H235-H246 AromaticContact CG-CE1 3.62Å; H235-H246 AromaticContact CG-NE2 3.72Å; H235-H246 AromaticContact ND1-CD2 3.72Å; H235-H246 AromaticContact ND1-CE1 3.73Å; H235-H246 AromaticContact ND1-CG 3.68Å; H235-H246 AromaticContact ND1-ND1 3.7Å; H235-H246 AromaticContact ND1-NE2 3.75Å | ||
| 236 | R | 93.1 | Very high | 91.5 | Very high | 184 Ų | 184 | 63.2 Ų | 63.2 | 69% | 0.694 | 32% | 0.321 | S | S | * | . | B | Isolated β-bridge | trans | -105.7 | 123.7 | 176.2 | -174.6 | 172.3 | 70.8 | 163.9 | -2.4 | 110.8 | H229 | H229-R236 WeakPolarHBondContact NE2-CD 3.28Å |
| 237 | S | 92.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | trans | -103.5 | 151.8 | 178 | -64.4 | 0 | 0 | 0 | 0 | 111 | T228 H235 N243 | T228-S237 WeakPolarHBondContact CB-O 3.43Å; T228-S237 WeakPolarHBondContact O-CA 3.4Å; T228-S237 PolarHBondContact O-N 3.04Å; H235-S237 PolarHBondContact CE1-OG 2.96Å; H235-S237 PolarHBondContact ND1-OG 2.86Å; S237-N243 WeakPolarHBondContact OG-CA 3.39Å | ||
| 238 | R | 89.1 | Confident | 91.8 | Very high | 239 Ų | 239 | 61.6 Ų | 61.6 | 90% | 0.902 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -81.5 | -14.1 | -178.6 | -65 | -175.8 | 179 | -178.4 | -0.9 | 114.6 | ||
| 239 | S | 93.1 | Very high | 91.9 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -152.5 | 150.1 | -176.7 | 59.2 | 0 | 0 | 0 | 0 | 109.6 | L241 K242 N243 | S239-L241 PolarHBondContact O-N 3.42Å; S239-K242 PolarHBondContact O-N 3.03Å; S239-K242 VanDerWaalsContact OG-CB 3.32Å; S239-K242 WeakPolarHBondContact OG-CB 3.47Å; S239-K242 WeakPolarHBondContact OG-CD 3.47Å; S239-K242 WeakPolarHBondContact OG-CG 3.41Å; S239-K242 PolarHBondContact OG-N 3.4Å; S239-N243 PolarHBondContact O-N 3.34Å |
| 240 | L | 89.9 | Confident | 91.9 | Very high | 36 Ų | 36 | 69 Ų | 69 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -53 | -50.4 | 178.7 | 175.3 | 64.5 | 0 | 0 | 0 | 112.4 | V227 K242 N243 V244 R265 V268 | V227-L240 HydrophobicContact CB-CD1 4.12Å; L240-K242 VanDerWaalsContact C-N 3.31Å; L240-K242 PolarHBondContact O-N 3.37Å; L240-N243 WeakPolarHBondContact O-CA 3.48Å; L240-N243 VanDerWaalsContact O-CB 3.25Å; L240-N243 WeakPolarHBondContact O-CB 3.4Å; L240-N243 PolarHBondContact O-N 3.18Å; L240-V244 HydrophobicContact CD1-CG2 4.23Å; L240-V244 WeakPolarHBondContact O-CG2 3.14Å; L240-V244 PolarHBondContact O-N 3.13Å; L240-R265 HydrophobicContact CD2-CB 3.98Å; L240-R265 HydrophobicContact CD2-CG 4.32Å; L240-V268 HydrophobicContact CD1-CB 4.02Å; L240-V268 HydrophobicContact CD1-CG1 3.87Å; L240-V268 HydrophobicContact CD1-CG2 4.1Å |
| 241 | L | 91.5 | Very high | 91.8 | Very high | 128 Ų | 128 | 69.9 Ų | 69.9 | 67% | 0.67 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.9 | -38.5 | -178.5 | -64.6 | 172.9 | 0 | 0 | 0 | 113.1 | S239 A245 L264 | S239-L241 PolarHBondContact O-N 3.42Å; L241-A245 WeakPolarHBondContact O-CB 3.36Å; L241-A245 PolarHBondContact O-N 2.92Å; L241-L264 HydrophobicContact CD2-CD2 4.25Å |
| 242 | K | 93.3 | Very high | 91.7 | Very high | 137 Ų | 137 | 73.7 Ų | 73.7 | 60% | 0.596 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -70 | -33.6 | 174.6 | -69.9 | 178 | -174.5 | 173.7 | 0 | 112.2 | S239 L240 H246 | S239-K242 PolarHBondContact O-N 3.03Å; S239-K242 VanDerWaalsContact OG-CB 3.32Å; S239-K242 WeakPolarHBondContact OG-CB 3.47Å; S239-K242 WeakPolarHBondContact OG-CD 3.47Å; S239-K242 WeakPolarHBondContact OG-CG 3.41Å; S239-K242 PolarHBondContact OG-N 3.4Å; L240-K242 VanDerWaalsContact C-N 3.31Å; L240-K242 PolarHBondContact O-N 3.37Å; K242-H246 WeakPolarHBondContact O-CB 3.02Å; K242-H246 PolarHBondContact O-N 3.49Å |
| 243 | N | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.1 | -50.2 | 174.2 | -167.7 | 6.7 | 0 | 0 | 0 | 110.7 | V227 H229 C230 S237 S239 L240 A245 H246 M247 | V227-N243 PolarHBondContact O-ND2 2.97Å; H229-N243 PolarHBondContact O-ND2 2.92Å; C230-N243 WeakPolarHBondContact CA-OD1 2.97Å; S237-N243 WeakPolarHBondContact OG-CA 3.39Å; S239-N243 PolarHBondContact O-N 3.34Å; L240-N243 WeakPolarHBondContact O-CA 3.48Å; L240-N243 VanDerWaalsContact O-CB 3.25Å; L240-N243 WeakPolarHBondContact O-CB 3.4Å; L240-N243 PolarHBondContact O-N 3.18Å; N243-A245 VanDerWaalsContact C-N 3.32Å; N243-A245 PolarHBondContact O-N 3.15Å; N243-H246 WeakPolarHBondContact O-CA 3.38Å; N243-H246 WeakPolarHBondContact O-CB 3.48Å; N243-H246 PolarHBondContact O-N 2.91Å; N243-M247 WeakPolarHBondContact O-CG 3.11Å; N243-M247 PolarHBondContact O-N 2.98Å |
| 244 | V | 91.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 78.8 Ų | 78.8 | 13% | 0.133 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59 | -45.5 | 175.8 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | L240 H246 M247 T248 I255 V268 | L240-V244 HydrophobicContact CD1-CG2 4.23Å; L240-V244 WeakPolarHBondContact O-CG2 3.14Å; L240-V244 PolarHBondContact O-N 3.13Å; V244-H246 VanDerWaalsContact C-N 3.28Å; V244-H246 PolarHBondContact O-N 3.49Å; V244-M247 WeakPolarHBondContact O-CB 3.47Å; V244-M247 PolarHBondContact O-N 3.49Å; V244-M247 VanDerWaalsContact O-N 3.11Å; V244-T248 PolarHBondContact O-N 2.92Å; V244-T248 PolarHBondContact O-OG1 2.91Å; V244-T248 VanDerWaalsContact O-OG1 3.08Å; V244-I255 HydrophobicContact CG1-CD1 4.2Å; V244-V268 HydrophobicContact CG2-CG2 4.34Å |
| 245 | A | 92.7 | Very high | 91.8 | Very high | 44 Ų | 44 | 73.9 Ų | 73.9 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -35.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L241 N243 K249 | L241-A245 WeakPolarHBondContact O-CB 3.36Å; L241-A245 PolarHBondContact O-N 2.92Å; N243-A245 VanDerWaalsContact C-N 3.32Å; N243-A245 PolarHBondContact O-N 3.15Å; A245-K249 WeakPolarHBondContact O-CB 3.43Å; A245-K249 VanDerWaalsContact O-CG 3.24Å; A245-K249 WeakPolarHBondContact O-CG 3.38Å; A245-K249 PolarHBondContact O-N 3.02Å; A245-K249 VanDerWaalsContact O-N 3.11Å |
| 246 | H | 94.2 | Very high | 91.7 | Very high | 31 Ų | 31 | 70.9 Ų | 70.9 | 14% | 0.144 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 172.6 | 165.7 | 81.7 | 0 | 0 | 0 | 111.3 | C230 C233 H235 K242 N243 V244 T248 K249 V250 H251 | C230-H246 VanDerWaalsContact SG-CD2 3.59Å; C233-H246 PolarHBondContact SG-NE2 2.87Å; H235-H246 AromaticContact CE1-ND1 3.95Å; H235-H246 AromaticContact CG-CE1 3.62Å; H235-H246 AromaticContact CG-NE2 3.72Å; H235-H246 AromaticContact ND1-CD2 3.72Å; H235-H246 AromaticContact ND1-CE1 3.73Å; H235-H246 AromaticContact ND1-CG 3.68Å; H235-H246 AromaticContact ND1-ND1 3.7Å; H235-H246 AromaticContact ND1-NE2 3.75Å; K242-H246 WeakPolarHBondContact O-CB 3.02Å; K242-H246 PolarHBondContact O-N 3.49Å; N243-H246 WeakPolarHBondContact O-CA 3.38Å; N243-H246 WeakPolarHBondContact O-CB 3.48Å; N243-H246 PolarHBondContact O-N 2.91Å; V244-H246 VanDerWaalsContact C-N 3.28Å; V244-H246 PolarHBondContact O-N 3.49Å; H246-T248 VanDerWaalsContact C-N 3.33Å; H246-T248 PolarHBondContact O-N 3.07Å; H246-K249 PolarHBondContact O-N 3.1Å; H246-V250 WeakPolarHBondContact O-CB 3.35Å; H246-V250 PolarHBondContact O-N 3.09Å; H246-H251 AromaticContact NE2-NE2 3.83Å |
| 247 | M | 92.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 178 | -67.9 | 167.6 | 64.5 | 0 | 0 | 111.7 | L231 F232 N243 V244 H251 S252 F253 | L231-M247 HydrophobicContact CB-CE 3.91Å; L231-M247 HydrophobicContact CD1-CE 3.47Å; L231-M247 VanDerWaalsContact CD1-CE 3.47Å; L231-M247 HydrophobicContact CG-CE 3.59Å; L231-M247 HydrophobicContact CG-SD 4.25Å; F232-M247 HydrophobicContact CD2-CE 4.17Å; F232-M247 HydrophobicContact CD2-CG 4.42Å; F232-M247 HydrophobicContact CE2-CB 4.43Å; F232-M247 HydrophobicContact CE2-CE 3.45Å; F232-M247 VanDerWaalsContact CE2-CE 3.45Å; F232-M247 HydrophobicContact CE2-CG 4.43Å; F232-M247 HydrophobicContact CZ-CE 4.05Å; N243-M247 WeakPolarHBondContact O-CG 3.11Å; N243-M247 PolarHBondContact O-N 2.98Å; V244-M247 WeakPolarHBondContact O-CB 3.47Å; V244-M247 PolarHBondContact O-N 3.49Å; V244-M247 VanDerWaalsContact O-N 3.11Å; M247-H251 CarbonylContact O-C 3.34Å; M247-H251 WeakPolarHBondContact O-CA 3.34Å; M247-H251 WeakPolarHBondContact O-CB 3.34Å; M247-H251 PolarHBondContact O-N 3.15Å; M247-S252 PolarHBondContact O-N 3.04Å; M247-F253 HydrophobicContact CB-CB 3.97Å; M247-F253 HydrophobicContact CB-CD1 4.21Å; M247-F253 HydrophobicContact CB-CG 4.44Å; M247-F253 HydrophobicContact CE-CD1 3.62Å; M247-F253 HydrophobicContact CE-CE1 3.82Å; M247-F253 HydrophobicContact CE-CG 4.05Å; M247-F253 HydrophobicContact CE-CZ 4.44Å; M247-F253 PolarHBondContact O-N 2.9Å; M247-F253 VanDerWaalsContact O-N 3.13Å |
| 248 | T | 92.7 | Very high | 91 | Very high | 69 Ų | 69 | 70.4 Ų | 70.4 | 42% | 0.423 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.3 | -37 | 176.3 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | V244 H246 S252 F253 | V244-T248 PolarHBondContact O-N 2.92Å; V244-T248 PolarHBondContact O-OG1 2.91Å; V244-T248 VanDerWaalsContact O-OG1 3.08Å; H246-T248 VanDerWaalsContact C-N 3.33Å; H246-T248 PolarHBondContact O-N 3.07Å; T248-S252 VanDerWaalsContact O-CA 3.3Å; T248-S252 WeakPolarHBondContact O-CA 3.37Å; T248-S252 PolarHBondContact O-N 3.27Å; T248-F253 WeakPolarHBondContact CA-O 3.3Å; T248-F253 WeakPolarHBondContact CB-O 3.45Å; T248-F253 PolarHBondContact OG1-O 3.43Å |
| 249 | K | 92.3 | Very high | 90.8 | Very high | 179 Ų | 179 | 67.5 Ų | 67.5 | 78% | 0.778 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -79.6 | -43.8 | -178.5 | -73.8 | 177.7 | -177.8 | -176.7 | 0 | 114.2 | A245 H246 | A245-K249 WeakPolarHBondContact O-CB 3.43Å; A245-K249 VanDerWaalsContact O-CG 3.24Å; A245-K249 WeakPolarHBondContact O-CG 3.38Å; A245-K249 PolarHBondContact O-N 3.02Å; A245-K249 VanDerWaalsContact O-N 3.11Å; H246-K249 PolarHBondContact O-N 3.1Å |
| 250 | V | 92.4 | Very high | 90.5 | Very high | 91 Ų | 91 | 67.9 Ų | 67.9 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -91.1 | -39.8 | -172.6 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | H246 | H246-V250 WeakPolarHBondContact O-CB 3.35Å; H246-V250 PolarHBondContact O-N 3.09Å |
| 251 | H | 91.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 67.4 Ų | 67.4 | 10% | 0.097 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -108.3 | 2.4 | -174.5 | -58.9 | -67.8 | 0 | 0 | 0 | 113.3 | F232 C233 H246 M247 F253 C307 | F232-H251 HydrophobicContact CB-CB 4.45Å; F232-H251 HydrophobicContact CD2-CB 3.7Å; F232-H251 AromaticContact CD2-CD2 3.98Å; F232-H251 AromaticContact CD2-CG 3.84Å; F232-H251 HydrophobicContact CE2-CB 4.38Å; F232-H251 HydrophobicContact CG-CB 4.33Å; C233-H251 PolarHBondContact SG-NE2 3.02Å; H246-H251 AromaticContact NE2-NE2 3.83Å; M247-H251 CarbonylContact O-C 3.34Å; M247-H251 WeakPolarHBondContact O-CA 3.34Å; M247-H251 WeakPolarHBondContact O-CB 3.34Å; M247-H251 PolarHBondContact O-N 3.15Å; H251-F253 PolarHBondContact O-N 3.26Å; H251-F253 VanDerWaalsContact O-N 3.16Å; H251-C307 HydrophobicContact CB-CB 4.21Å; H251-C307 WeakPolarHBondContact O-CB 3.49Å |
| 252 | S | 88.9 | Confident | 90.2 | Very high | 80 Ų | 80 | 66.5 Ų | 66.5 | 56% | 0.559 | 35% | 0.351 | S | S | * | . | trans | 53 | 32.5 | -176.9 | 57.2 | 0 | 0 | 0 | 0 | 113.1 | M247 T248 F254 | M247-S252 PolarHBondContact O-N 3.04Å; T248-S252 VanDerWaalsContact O-CA 3.3Å; T248-S252 WeakPolarHBondContact O-CA 3.37Å; T248-S252 PolarHBondContact O-N 3.27Å; S252-F254 PolarHBondContact O-N 3.48Å | ||
| 253 | F | 92.4 | Very high | 90 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | trans | -71.7 | 122.4 | 177.1 | -179.1 | -110.4 | 0 | 0 | 0 | 110.2 | F232 M247 T248 H251 I255 L271 L282 C307 L309 | F232-F253 HydrophobicContact CE2-CB 3.72Å; F232-F253 AromaticContact CE2-CD2 3.73Å; F232-F253 HydrophobicContact CE2-CD2 3.73Å; F232-F253 AromaticContact CE2-CG 3.73Å; F232-F253 HydrophobicContact CE2-CG 3.73Å; F232-F253 HydrophobicContact CZ-CB 4.35Å; F232-F253 AromaticContact CZ-CD2 3.5Å; F232-F253 HydrophobicContact CZ-CD2 3.5Å; F232-F253 VanDerWaalsContact CZ-CD2 3.5Å; F232-F253 AromaticContact CZ-CE2 3.96Å; F232-F253 HydrophobicContact CZ-CE2 3.96Å; F232-F253 HydrophobicContact CZ-CG 4Å; M247-F253 HydrophobicContact CB-CB 3.97Å; M247-F253 HydrophobicContact CB-CD1 4.21Å; M247-F253 HydrophobicContact CB-CG 4.44Å; M247-F253 HydrophobicContact CE-CD1 3.62Å; M247-F253 HydrophobicContact CE-CE1 3.82Å; M247-F253 HydrophobicContact CE-CG 4.05Å; M247-F253 HydrophobicContact CE-CZ 4.44Å; M247-F253 PolarHBondContact O-N 2.9Å; M247-F253 VanDerWaalsContact O-N 3.13Å; T248-F253 WeakPolarHBondContact CA-O 3.3Å; T248-F253 WeakPolarHBondContact CB-O 3.45Å; T248-F253 PolarHBondContact OG1-O 3.43Å; H251-F253 PolarHBondContact O-N 3.26Å; H251-F253 VanDerWaalsContact O-N 3.16Å; F253-I255 HydrophobicContact CD1-CG1 4.19Å; F253-I255 HydrophobicContact CE1-CD1 4Å; F253-I255 HydrophobicContact CE1-CG1 3.5Å; F253-I255 VanDerWaalsContact CE1-CG1 3.5Å; F253-I255 HydrophobicContact CZ-CG1 4.06Å; F253-L271 HydrophobicContact CZ-CD1 3.91Å; F253-L282 HydrophobicContact CE2-CD1 4.42Å; F253-C307 WeakPolarHBondContact CD2-O 3.48Å; F253-L309 HydrophobicContact CE2-CB 4.49Å | ||
| 254 | F | 90.7 | Very high | 89.8 | Confident | 140 Ų | 140 | 65.7 Ų | 65.7 | 61% | 0.614 | 35% | 0.353 | S | S | * | . | trans | -117.3 | 132.4 | 179.6 | -176 | -101.7 | 0 | 0 | 0 | 109.5 | S252 | S252-F254 PolarHBondContact O-N 3.48Š| ||
| 255 | I | 90.1 | Very high | 89.7 | Confident | 13 Ų | 13 | 72.9 Ų | 72.9 | 7% | 0.067 | 38% | 0.378 | C | S | . | . | trans | -98.8 | 118.1 | 174.5 | -60 | 173.1 | 0 | 0 | 0 | 106.5 | V244 F253 V258 L261 L264 L267 Y323 | V244-I255 HydrophobicContact CG1-CD1 4.2Å; F253-I255 HydrophobicContact CD1-CG1 4.19Å; F253-I255 HydrophobicContact CE1-CD1 4Å; F253-I255 HydrophobicContact CE1-CG1 3.5Å; F253-I255 VanDerWaalsContact CE1-CG1 3.5Å; F253-I255 HydrophobicContact CZ-CG1 4.06Å; I255-V258 HydrophobicContact CB-CG2 4.13Å; I255-V258 HydrophobicContact CG2-CG2 4.26Å; I255-V258 VanDerWaalsContact O-CG2 3.26Å; I255-V258 WeakPolarHBondContact O-CG2 3.43Å; I255-L261 HydrophobicContact CG2-CD1 3.5Å; I255-L264 HydrophobicContact CD1-CD1 3.73Å; I255-L267 HydrophobicContact CG2-CD2 4.08Å; I255-Y323 WeakPolarHBondContact CG2-OH 3.17Å | ||
| 256 | P | 88.3 | Confident | 89.6 | Confident | 21 Ų | 21 | 71 Ų | 71 | 14% | 0.136 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 147.1 | 174.9 | -25.4 | 38.2 | 0 | 0 | 0 | 111.7 | V258 T311 Y323 | P256-V258 PolarHBondContact O-N 3.02Å; P256-T311 HydrophobicContact CB-CG2 4.42Å; P256-T311 HydrophobicContact CG-CG2 3.79Å; P256-Y323 VanDerWaalsContact O-CE1 3.31Å; P256-Y323 WeakPolarHBondContact O-CE1 3.42Å; P256-Y323 PolarHBondContact O-OH 2.85Å |
| 257 | D | 84.4 | Confident | 89.5 | Confident | 92 Ų | 92 | 69.5 Ų | 69.5 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 47.4 | 166.3 | -57.2 | -27.8 | 0 | 0 | 0 | 115.3 | E259 F260 Y323 F325 | D257-E259 PolarHBondContact O-N 3.2Å; D257-F260 HydrophobicContact CB-CD2 4.17Å; D257-F260 PolarHBondContact O-N 3.07Å; D257-Y323 HydrophobicContact CB-CE1 4.17Å; D257-Y323 WeakPolarHBondContact O-CE1 3.04Å; D257-F325 HydrophobicContact CB-CE1 4.32Å |
| 258 | V | 86.1 | Confident | 89.4 | Confident | 93 Ų | 93 | 69.5 Ų | 69.5 | 56% | 0.564 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -55.5 | -24.5 | -178.8 | -173.4 | 0 | 0 | 0 | 0 | 113 | I255 P256 F260 L261 | I255-V258 HydrophobicContact CB-CG2 4.13Å; I255-V258 HydrophobicContact CG2-CG2 4.26Å; I255-V258 VanDerWaalsContact O-CG2 3.26Å; I255-V258 WeakPolarHBondContact O-CG2 3.43Å; P256-V258 PolarHBondContact O-N 3.02Å; V258-F260 VanDerWaalsContact C-N 3.28Å; V258-F260 PolarHBondContact O-N 3.42Å; V258-L261 PolarHBondContact O-N 3Å |
| 259 | E | 86.3 | Confident | 89.4 | Confident | 178 Ų | 178 | 70.1 Ų | 70.1 | 83% | 0.832 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -64.6 | -30 | 177.9 | -63.7 | 176.7 | -178.5 | 0 | 0 | 113 | D257 | D257-E259 PolarHBondContact O-N 3.2Š|
| 260 | F | 86.2 | Confident | 89.4 | Confident | 49 Ų | 49 | 63.1 Ų | 63.1 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -104 | 10.1 | -177 | -55.6 | -59.9 | 0 | 0 | 0 | 112.8 | D257 V258 Y323 D324 F325 S327 S328 | D257-F260 HydrophobicContact CB-CD2 4.17Å; D257-F260 PolarHBondContact O-N 3.07Å; V258-F260 VanDerWaalsContact C-N 3.28Å; V258-F260 PolarHBondContact O-N 3.42Å; F260-Y323 HydrophobicContact CB-CD1 4.42Å; F260-Y323 CarbonylContact O-C 3.43Å; F260-Y323 WeakPolarHBondContact O-CA 3.49Å; F260-D324 PolarHBondContact O-N 3.03Å; F260-F325 HydrophobicContact CB-CD1 4.03Å; F260-F325 HydrophobicContact CB-CE1 4.11Å; F260-F325 AromaticContact CD2-CD1 3.95Å; F260-F325 HydrophobicContact CD2-CD1 3.95Å; F260-F325 HydrophobicContact CD2-CE1 4.02Å; F260-F325 HydrophobicContact CG-CD1 4.04Å; F260-F325 HydrophobicContact CG-CE1 4.34Å; F260-S327 VanDerWaalsContact CD1-OG 3.28Å; F260-S327 WeakPolarHBondContact CD1-OG 3.38Å; F260-S327 WeakPolarHBondContact CE1-OG 3.21Å; F260-S328 VanDerWaalsContact CD1-OG 3.31Å; F260-S328 WeakPolarHBondContact CD1-OG 3.39Å; F260-S328 WeakPolarHBondContact CE1-OG 3.3Å; F260-S328 WeakPolarHBondContact CZ-OG 3.4Å |
| 261 | L | 87.2 | Confident | 89.3 | Confident | 26 Ų | 26 | 58.9 Ų | 58.9 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -91.4 | 110 | -174 | -158.7 | 164.3 | 0 | 0 | 0 | 110.2 | I255 V258 L264 L267 Y323 | I255-L261 HydrophobicContact CG2-CD1 3.5Å; V258-L261 PolarHBondContact O-N 3Å; L261-L264 HydrophobicContact CD1-CD1 4.38Å; L261-L264 HydrophobicContact CD2-CB 3.89Å; L261-L264 HydrophobicContact CD2-CD1 4.4Å; L261-L267 HydrophobicContact CD1-CD2 3.74Å; L261-Y323 HydrophobicContact CB-CD1 4.17Å; L261-Y323 HydrophobicContact CB-CE1 3.94Å; L261-Y323 HydrophobicContact CD1-CE1 3.97Å; L261-Y323 HydrophobicContact CD1-CE2 4.4Å; L261-Y323 HydrophobicContact CG-CD1 4.35Å; L261-Y323 HydrophobicContact CG-CE1 3.97Å; L261-Y323 HydrophobicContact CG-CE2 4.44Å |
| 262 | V | 87.6 | Confident | 89.3 | Confident | 110 Ų | 110 | 57.9 Ų | 57.9 | 67% | 0.667 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -81.3 | -44.6 | -176.5 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | F322 D324 | V262-F322 PolarHBondContact N-O 3.41Å; V262-F322 VanDerWaalsContact N-O 3.15Å; V262-D324 HydrophobicContact CG2-CB 3.44Å; V262-D324 VanDerWaalsContact CG2-CB 3.44Å |
| 263 | D | 88.8 | Confident | 89.4 | Confident | 74 Ų | 74 | 54.2 Ų | 54.2 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | trans | -121.8 | 90.2 | -179.1 | -172.3 | 8.8 | 0 | 0 | 0 | 114.1 | R265 G266 L267 | D263-R265 VanDerWaalsContact C-N 3.28Å; D263-R265 PolarHBondContact O-N 3.48Å; D263-R265 WeakPolarHBondContact OD1-CA 3.41Å; D263-R265 WeakPolarHBondContact OD1-CB 3.46Å; D263-R265 PolarHBondContact OD1-N 3.08Å; D263-G266 PolarHBondContact OD1-N 3.31Å; D263-G266 WeakPolarHBondContact OD2-CA 3.28Å; D263-G266 PolarHBondContact OD2-N 2.92Å; D263-G266 VanDerWaalsContact OD2-N 3.11Å; D263-L267 PolarHBondContact O-N 3.09Å; D263-L267 VanDerWaalsContact O-N 3.14Å | ||
| 264 | L | 89.1 | Confident | 89.3 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.1 | -32.2 | 174.5 | -177.4 | 64.2 | 0 | 0 | 0 | 112.4 | L241 I255 L261 V268 | L241-L264 HydrophobicContact CD2-CD2 4.25Å; I255-L264 HydrophobicContact CD1-CD1 3.73Å; L261-L264 HydrophobicContact CD1-CD1 4.38Å; L261-L264 HydrophobicContact CD2-CB 3.89Å; L261-L264 HydrophobicContact CD2-CD1 4.4Å; L264-V268 HydrophobicContact CD1-CG2 4.35Å; L264-V268 WeakPolarHBondContact O-CG2 3.28Å; L264-V268 PolarHBondContact O-N 3.31Å; L264-V268 VanDerWaalsContact O-N 3.15Å |
| 265 | R | 90.6 | Very high | 89.4 | Confident | 172 Ų | 172 | 47.8 Ų | 47.8 | 65% | 0.649 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -74.9 | -41.3 | -176.6 | -177.5 | 174.4 | 174.7 | -105.3 | 2.2 | 110.1 | L240 D263 R269 | L240-R265 HydrophobicContact CD2-CB 3.98Å; L240-R265 HydrophobicContact CD2-CG 4.32Å; D263-R265 VanDerWaalsContact C-N 3.28Å; D263-R265 PolarHBondContact O-N 3.48Å; D263-R265 WeakPolarHBondContact OD1-CA 3.41Å; D263-R265 WeakPolarHBondContact OD1-CB 3.46Å; D263-R265 PolarHBondContact OD1-N 3.08Å; R265-R269 VanDerWaalsContact O-CB 3.32Å; R265-R269 WeakPolarHBondContact O-CB 3.37Å; R265-R269 PolarHBondContact O-N 3.06Å |
| 266 | G | 91 | Very high | 89.3 | Confident | 4 Ų | 4 | 47.3 Ų | 47.3 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.1 | -50.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | D263 V268 R269 Y270 | D263-G266 PolarHBondContact OD1-N 3.31Å; D263-G266 WeakPolarHBondContact OD2-CA 3.28Å; D263-G266 PolarHBondContact OD2-N 2.92Å; D263-G266 VanDerWaalsContact OD2-N 3.11Å; G266-V268 PolarHBondContact O-N 3.45Å; G266-R269 WeakPolarHBondContact O-CB 3.4Å; G266-R269 PolarHBondContact O-N 2.89Å; G266-Y270 PolarHBondContact O-N 2.89Å |
| 267 | L | 90.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.5 | -49.2 | 179.4 | -178 | 65.3 | 0 | 0 | 0 | 112 | I255 L261 D263 R269 Y270 L271 F319 F322 Y323 | I255-L267 HydrophobicContact CG2-CD2 4.08Å; L261-L267 HydrophobicContact CD1-CD2 3.74Å; D263-L267 PolarHBondContact O-N 3.09Å; D263-L267 VanDerWaalsContact O-N 3.14Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 3.43Å; L267-Y270 PolarHBondContact O-N 3.37Å; L267-L271 HydrophobicContact CD1-CD1 4.47Å; L267-L271 HydrophobicContact CD1-CG 4.46Å; L267-L271 HydrophobicContact CG-CD1 4.18Å; L267-L271 VanDerWaalsContact O-CG 3.28Å; L267-L271 WeakPolarHBondContact O-CG 3.3Å; L267-L271 PolarHBondContact O-N 3.18Å; L267-F319 HydrophobicContact CD1-CD1 3.93Å; L267-F322 HydrophobicContact CB-CB 4.42Å; L267-F322 HydrophobicContact CB-CD1 4.47Å; L267-F322 HydrophobicContact CB-CG 4.25Å; L267-F322 HydrophobicContact CD1-CD2 3.94Å; L267-F322 HydrophobicContact CD1-CE2 4.47Å; L267-F322 HydrophobicContact CD1-CG 4.32Å; L267-Y323 HydrophobicContact CD2-CE2 4.43Å |
| 268 | V | 91.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.9 | -33.7 | -179.2 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | V227 L240 V244 L264 G266 G272 | V227-V268 HydrophobicContact CB-CG1 4.45Å; V227-V268 HydrophobicContact CG1-CG1 4.26Å; L240-V268 HydrophobicContact CD1-CB 4.02Å; L240-V268 HydrophobicContact CD1-CG1 3.87Å; L240-V268 HydrophobicContact CD1-CG2 4.1Å; V244-V268 HydrophobicContact CG2-CG2 4.34Å; L264-V268 HydrophobicContact CD1-CG2 4.35Å; L264-V268 WeakPolarHBondContact O-CG2 3.28Å; L264-V268 PolarHBondContact O-N 3.31Å; L264-V268 VanDerWaalsContact O-N 3.15Å; G266-V268 PolarHBondContact O-N 3.45Å; V268-G272 PolarHBondContact O-N 2.89Å |
| 269 | R | 92 | Very high | 89.5 | Confident | 82 Ų | 82 | 39 Ų | 39 | 31% | 0.309 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.4 | -46.4 | 173.7 | -177 | -178.1 | 66.5 | 113.2 | -2.8 | 111 | S218 V227 R265 G266 L267 G272 E273 | S218-R269 PolarHBondContact O-NH1 2.96Å; V227-R269 HydrophobicContact CG1-CB 4.17Å; R265-R269 VanDerWaalsContact O-CB 3.32Å; R265-R269 WeakPolarHBondContact O-CB 3.37Å; R265-R269 PolarHBondContact O-N 3.06Å; G266-R269 WeakPolarHBondContact O-CB 3.4Å; G266-R269 PolarHBondContact O-N 2.89Å; L267-R269 VanDerWaalsContact C-N 3.31Å; L267-R269 PolarHBondContact O-N 3.43Å; R269-G272 PolarHBondContact O-N 3.38Å; R269-E273 PolarHBondContact O-N 3.34Å |
| 270 | Y | 91.2 | Very high | 89.5 | Confident | 32 Ų | 32 | 30.8 Ų | 30.8 | 13% | 0.125 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 177.2 | 176.9 | -114.9 | 0 | 0 | 0 | 112 | W167 G266 L267 G272 E273 K274 E318 F319 F322 | W167-Y270 HydrophobicContact CH2-CE2 4.03Å; W167-Y270 AromaticContact CZ2-CE2 3.93Å; W167-Y270 HydrophobicContact CZ2-CE2 3.93Å; G266-Y270 PolarHBondContact O-N 2.89Å; L267-Y270 PolarHBondContact O-N 3.37Å; Y270-G272 VanDerWaalsContact C-N 3.28Å; Y270-G272 PolarHBondContact O-N 2.77Å; Y270-E273 WeakPolarHBondContact O-CB 3.49Å; Y270-E273 PolarHBondContact O-N 2.72Å; Y270-E273 VanDerWaalsContact O-N 3.09Å; Y270-K274 HydrophobicContact CE1-CD 4.42Å; Y270-K274 PolarHBondContact O-N 3.04Å; Y270-E318 PolarHBondContact OH-OE2 3.34Å; Y270-F319 HydrophobicContact CD1-CD1 4.2Å; Y270-F319 AromaticContact CD1-CE1 3.98Å; Y270-F319 HydrophobicContact CD1-CE1 3.98Å; Y270-F319 HydrophobicContact CE1-CD1 4.01Å; Y270-F319 AromaticContact CE1-CE1 3.63Å; Y270-F319 HydrophobicContact CE1-CE1 3.63Å; Y270-F322 HydrophobicContact CD1-CE2 4.16Å; Y270-F322 HydrophobicContact CG-CE2 4.3Å; Y270-F322 HydrophobicContact CG-CZ 4.31Å |
| 271 | L | 91.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.8 | -35.7 | 175.1 | -64 | 175.6 | 0 | 0 | 0 | 112.2 | L231 F253 L267 E273 K274 V275 L282 L309 F319 | L231-L271 HydrophobicContact CD1-CB 3.68Å; L231-L271 HydrophobicContact CD1-CD1 4.4Å; F253-L271 HydrophobicContact CZ-CD1 3.91Å; L267-L271 HydrophobicContact CD1-CD1 4.47Å; L267-L271 HydrophobicContact CD1-CG 4.46Å; L267-L271 HydrophobicContact CG-CD1 4.18Å; L267-L271 VanDerWaalsContact O-CG 3.28Å; L267-L271 WeakPolarHBondContact O-CG 3.3Å; L267-L271 PolarHBondContact O-N 3.18Å; L271-E273 VanDerWaalsContact C-N 3.32Å; L271-K274 PolarHBondContact O-N 3.05Å; L271-V275 WeakPolarHBondContact O-CG2 3.45Å; L271-V275 PolarHBondContact O-N 2.8Å; L271-L282 HydrophobicContact CD2-CD1 4.14Å; L271-L282 HydrophobicContact CD2-CD2 3.63Å; L271-L309 HydrophobicContact CD2-CD1 3.64Å; L271-F319 HydrophobicContact CD2-CE1 4.04Å |
| 272 | G | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.5 | -34.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V225 V268 R269 Y270 G276 | V225-G272 PolarHBondContact N-O 3.36Å; V225-G272 VanDerWaalsContact N-O 3.08Å; V268-G272 PolarHBondContact O-N 2.89Å; R269-G272 PolarHBondContact O-N 3.38Å; Y270-G272 VanDerWaalsContact C-N 3.28Å; Y270-G272 PolarHBondContact O-N 2.77Å; G272-G276 WeakPolarHBondContact O-CA 3.35Å; G272-G276 PolarHBondContact O-N 3.02Å |
| 273 | E | 90.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 26.9 Ų | 26.9 | 2% | 0.019 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -70.4 | -46.4 | 173 | -152.7 | -173 | 124.7 | 0 | 0 | 111.4 | W167 Q171 R174 L221 R269 Y270 L271 V275 G276 A277 G278 | W167-E273 PolarHBondContact NE1-OE1 3.13Å; Q171-E273 PolarHBondContact NE2-OE1 3.37Å; R174-E273 IonicContact NH1-OE1 2.78Å; R174-E273 IonicContact NH1-OE2 3.79Å; R174-E273 PolarHBondContact NH1-OE2 3.37Å; L221-E273 HydrophobicContact CB-CG 4.32Å; L221-E273 HydrophobicContact CD1-CG 4.2Å; L221-E273 WeakPolarHBondContact CD1-OE1 3.38Å; L221-E273 HydrophobicContact CG-CG 4.48Å; R269-E273 PolarHBondContact O-N 3.34Å; Y270-E273 WeakPolarHBondContact O-CB 3.49Å; Y270-E273 PolarHBondContact O-N 2.72Å; Y270-E273 VanDerWaalsContact O-N 3.09Å; L271-E273 VanDerWaalsContact C-N 3.32Å; E273-V275 PolarHBondContact O-N 2.89Å; E273-G276 PolarHBondContact O-N 3.39Å; E273-A277 HydrophobicContact CG-CB 4.32Å; E273-A277 WeakPolarHBondContact O-CA 3.44Å; E273-A277 WeakPolarHBondContact O-CB 3.49Å; E273-A277 PolarHBondContact O-N 3.05Å; E273-G278 PolarHBondContact O-N 3.18Å |
| 274 | K | 90.4 | Very high | 89.7 | Confident | 6 Ų | 6 | 24.6 Ų | 24.6 | 3% | 0.026 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | -179.6 | -166.8 | 164.1 | -173.8 | 170.3 | 0 | 112.7 | W167 Y270 L271 G278 N279 V280 L282 E318 | W167-K274 HydrophobicContact CH2-CB 3.97Å; W167-K274 HydrophobicContact CH2-CD 4.05Å; W167-K274 HydrophobicContact CH2-CG 3.77Å; W167-K274 HydrophobicContact CZ2-CB 4Å; W167-K274 HydrophobicContact CZ2-CG 4.29Å; W167-K274 HydrophobicContact CZ3-CG 4.13Å; Y270-K274 HydrophobicContact CE1-CD 4.42Å; Y270-K274 PolarHBondContact O-N 3.04Å; L271-K274 PolarHBondContact O-N 3.05Å; K274-G278 CarbonylContact O-C 3.59Å; K274-G278 WeakPolarHBondContact O-CA 3.37Å; K274-N279 PolarHBondContact O-N 3.23Å; K274-V280 HydrophobicContact CG-CB 4.19Å; K274-V280 PolarHBondContact O-N 3.37Å; K274-L282 HydrophobicContact CB-CD2 4.42Å; K274-L282 HydrophobicContact CD-CD2 4.01Å; K274-L282 HydrophobicContact CG-CD2 4.2Å; K274-E318 IonicContact NZ-OE1 3.93Å; K274-E318 IonicContact NZ-OE2 3.7Å; K274-E318 PolarHBondContact NZ-OE2 3.14Å |
| 275 | V | 91.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -80.5 | -40.6 | 177.4 | 177 | 0 | 0 | 0 | 0 | 111.8 | L271 E273 N279 L282 V297 | L271-V275 WeakPolarHBondContact O-CG2 3.45Å; L271-V275 PolarHBondContact O-N 2.8Å; E273-V275 PolarHBondContact O-N 2.89Å; V275-N279 WeakPolarHBondContact O-CA 3.48Å; V275-N279 PolarHBondContact O-N 3.47Å; V275-L282 HydrophobicContact CG2-CD1 4.32Å; V275-L282 HydrophobicContact CG2-CD2 4Å; V275-L282 HydrophobicContact CG2-CG 3.99Å; V275-V297 HydrophobicContact CG1-CG1 4.12Å |
| 276 | G | 88.9 | Confident | 88.1 | Confident | 3 Ų | 3 | 22.8 Ų | 22.8 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -79 | -64.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | G223 G272 E273 T294 | G223-G276 CarbonylContact O-C 3.11Å; G223-G276 WeakPolarHBondContact O-CA 3.4Å; G272-G276 WeakPolarHBondContact O-CA 3.35Å; G272-G276 PolarHBondContact O-N 3.02Å; E273-G276 PolarHBondContact O-N 3.39Å; G276-T294 WeakPolarHBondContact O-CG2 3.47Å |
| 277 | A | 87.3 | Confident | 87.1 | Confident | 17 Ų | 17 | 32.4 Ų | 32.4 | 14% | 0.14 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -45.6 | -178 | 0 | 0 | 0 | 0 | 0 | 111.2 | L221 G223 E273 N279 | L221-A277 HydrophobicContact CB-CB 4.4Å; G223-A277 PolarHBondContact O-N 3.04Å; E273-A277 HydrophobicContact CG-CB 4.32Å; E273-A277 WeakPolarHBondContact O-CA 3.44Å; E273-A277 WeakPolarHBondContact O-CB 3.49Å; E273-A277 PolarHBondContact O-N 3.05Å; A277-N279 VanDerWaalsContact C-N 3.33Å; A277-N279 PolarHBondContact O-N 3.16Å |
| 278 | G | 85.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -73.9 | -20.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R164 E273 K274 V280 | R164-G278 WeakPolarHBondContact CA-O 3.38Å; R164-G278 WeakPolarHBondContact CB-O 3.42Å; R164-G278 PolarHBondContact N-O 2.98Å; E273-G278 PolarHBondContact O-N 3.18Å; K274-G278 CarbonylContact O-C 3.59Å; K274-G278 WeakPolarHBondContact O-CA 3.37Å; G278-V280 WeakPolarHBondContact O-CG2 3.17Å; G278-V280 PolarHBondContact O-N 3.39Å |
| 279 | N | 89.8 | Confident | 85 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | trans | 47.1 | 41.1 | -170.9 | -65.8 | -68.1 | 0 | 0 | 0 | 112.5 | K274 V275 A277 F291 S293 T294 V297 | K274-N279 PolarHBondContact O-N 3.23Å; V275-N279 WeakPolarHBondContact O-CA 3.48Å; V275-N279 PolarHBondContact O-N 3.47Å; A277-N279 VanDerWaalsContact C-N 3.33Å; A277-N279 PolarHBondContact O-N 3.16Å; N279-F291 HydrophobicContact CB-CB 4.22Å; N279-S293 PolarHBondContact OD1-O 3.41Å; N279-T294 VanDerWaalsContact OD1-CA 3.28Å; N279-T294 WeakPolarHBondContact OD1-CA 3.48Å; N279-T294 VanDerWaalsContact OD1-CG2 3.31Å; N279-T294 WeakPolarHBondContact OD1-CG2 3.43Å; N279-T294 PolarHBondContact OD1-N 3.4Å; N279-V297 VanDerWaalsContact C-CG2 3.41Å; N279-V297 HydrophobicContact CB-CG2 3.81Å; N279-V297 WeakPolarHBondContact O-CG2 3.32Å | ||
| 280 | V | 87.9 | Confident | 84.5 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 4% | 0.036 | 20% | 0.199 | C | C | . | . | trans | -107.3 | 136 | -176.9 | -171.5 | 0 | 0 | 0 | 0 | 110.5 | R164 K274 G278 | R164-V280 HydrophobicContact CB-CG2 4.2Å; R164-V280 HydrophobicContact CG-CG2 3.65Å; K274-V280 HydrophobicContact CG-CB 4.19Å; K274-V280 PolarHBondContact O-N 3.37Å; G278-V280 WeakPolarHBondContact O-CG2 3.17Å; G278-V280 PolarHBondContact O-N 3.39Å | ||
| 281 | C | 90.6 | Very high | 84.3 | Confident | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | trans | -77.8 | 126.7 | 171 | 174 | 0 | 0 | 0 | 0 | 110.4 | W283 C284 N285 F291 M301 H306 | C281-W283 PolarHBondContact O-N 3.26Å; C281-W283 VanDerWaalsContact O-N 3.11Å; C281-C284 HydrophobicContact CB-CB 4.15Å; C281-C284 PolarHBondContact O-N 3.16Å; C281-N285 PolarHBondContact O-N 3.13Å; C281-N285 VanDerWaalsContact O-N 3.15Å; C281-F291 HydrophobicContact CB-CE2 4.41Å; C281-M301 HydrophobicContact CB-CG 4.3Å; C281-H306 VanDerWaalsContact SG-CB 3.59Å | ||
| 282 | L | 89.1 | Confident | 84.1 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -20.5 | -177.4 | -59.7 | 179.1 | 0 | 0 | 0 | 115.2 | F232 F253 L271 K274 V275 N285 M301 F310 | F232-L282 HydrophobicContact CE1-CD1 4.12Å; F232-L282 HydrophobicContact CZ-CD1 4.25Å; F253-L282 HydrophobicContact CE2-CD1 4.42Å; L271-L282 HydrophobicContact CD2-CD1 4.14Å; L271-L282 HydrophobicContact CD2-CD2 3.63Å; K274-L282 HydrophobicContact CB-CD2 4.42Å; K274-L282 HydrophobicContact CD-CD2 4.01Å; K274-L282 HydrophobicContact CG-CD2 4.2Å; V275-L282 HydrophobicContact CG2-CD1 4.32Å; V275-L282 HydrophobicContact CG2-CD2 4Å; V275-L282 HydrophobicContact CG2-CG 3.99Å; L282-N285 PolarHBondContact O-OD1 2.88Å; L282-M301 HydrophobicContact CB-CE 3.77Å; L282-M301 HydrophobicContact CD1-CE 3.98Å; L282-M301 HydrophobicContact CG-CE 3.71Å; L282-F310 PolarHBondContact O-N 2.92Å |
| 283 | W | 88.1 | Confident | 84.1 | Confident | 98 Ų | 98 | 52 Ų | 52 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -36.7 | 179.4 | -171.6 | -102 | 0 | 0 | 0 | 113.1 | C281 H306 K308 F310 | C281-W283 PolarHBondContact O-N 3.26Å; C281-W283 VanDerWaalsContact O-N 3.11Å; W283-H306 HydrophobicContact CB-CB 3.81Å; W283-H306 AromaticContact CD1-CD2 3.75Å; W283-H306 AromaticContact CD1-CG 3.97Å; W283-H306 AromaticContact CD1-NE2 3.82Å; W283-H306 HydrophobicContact CG-CB 4.47Å; W283-K308 HydrophobicContact CE3-CB 3.93Å; W283-K308 HydrophobicContact CZ3-CB 4.2Å; W283-F310 HydrophobicContact CD2-CB 4.28Å; W283-F310 HydrophobicContact CD2-CD2 4.17Å; W283-F310 HydrophobicContact CE3-CB 3.68Å; W283-F310 AromaticContact CE3-CD2 3.95Å; W283-F310 HydrophobicContact CE3-CD2 3.95Å; W283-F310 HydrophobicContact CE3-CG 4.33Å; W283-F310 AromaticContact CH2-CD2 3.81Å; W283-F310 HydrophobicContact CH2-CD2 3.81Å; W283-F310 HydrophobicContact CH2-CE2 4.49Å; W283-F310 HydrophobicContact CZ2-CD2 4.03Å; W283-F310 HydrophobicContact CZ3-CB 4.02Å; W283-F310 AromaticContact CZ3-CD2 3.77Å; W283-F310 HydrophobicContact CZ3-CD2 3.77Å; W283-F310 HydrophobicContact CZ3-CG 4.4Å |
| 284 | C | 85.6 | Confident | 84 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 17% | 0.169 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -24.2 | -176.7 | -73.6 | 0 | 0 | 0 | 0 | 113.3 | C281 E286 K287 G288 H306 | C281-C284 HydrophobicContact CB-CB 4.15Å; C281-C284 PolarHBondContact O-N 3.16Å; C284-E286 PolarHBondContact O-N 3.31Å; C284-K287 PolarHBondContact O-N 3.18Å; C284-G288 PolarHBondContact O-N 3.38Å; C284-H306 PolarHBondContact SG-CE1 3.07Å; C284-H306 PolarHBondContact SG-ND1 2.74Å |
| 285 | N | 75.2 | Confident | 84.1 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | 35.5 | -111.4 | -171.8 | -66.4 | -17.2 | 0 | 0 | 0 | 110 | R164 C281 L282 | R164-N285 PolarHBondContact NH1-O 3.48Å; R164-N285 PolarHBondContact NH2-O 3.18Å; C281-N285 PolarHBondContact O-N 3.13Å; C281-N285 VanDerWaalsContact O-N 3.15Å; L282-N285 PolarHBondContact O-OD1 2.88Å |
| 286 | E | 69.7 | Low | 84.1 | Confident | 157 Ų | 157 | 63 Ų | 63 | 73% | 0.734 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -80.1 | -25.3 | -176.8 | -55.3 | -170.4 | 153.2 | 0 | 0 | 116.3 | C284 G288 | C284-E286 PolarHBondContact O-N 3.31Å; E286-G288 PolarHBondContact O-N 3.43Å |
| 287 | K | 70.3 | Confident | 84.2 | Confident | 207 Ų | 207 | 62.8 Ų | 62.8 | 90% | 0.9 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -82.1 | -3.9 | -175.7 | -60.9 | 175.8 | -175.3 | 170.4 | 0 | 112.4 | C284 | C284-K287 PolarHBondContact O-N 3.18Š|
| 288 | G | 65.5 | Low | 84.5 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -94.1 | 167.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | C284 E286 | C284-G288 PolarHBondContact O-N 3.38Å; E286-G288 PolarHBondContact O-N 3.43Å |
| 289 | R | 74.4 | Confident | 84.8 | Confident | 206 Ų | 206 | 66 Ų | 66 | 78% | 0.777 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 141.3 | 168.9 | -61.7 | -177.5 | 179.9 | -150.1 | -0.9 | 109.3 | F291 | R289-F291 HydrophobicContact CB-CZ 4.46Å; R289-F291 WeakPolarHBondContact O-CD2 3.23Å; R289-F291 VanDerWaalsContact O-CE2 3.25Å; R289-F291 WeakPolarHBondContact O-CE2 3.47Å |
| 290 | S | 81.1 | Confident | 84.9 | Confident | 51 Ų | 51 | 66.2 Ų | 66.2 | 36% | 0.357 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 131.5 | 167.3 | 56.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 291 | F | 86.7 | Confident | 85.1 | Confident | 27 Ų | 27 | 66 Ų | 66 | 12% | 0.118 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -102.6 | 155.6 | 174 | -57.4 | -82.6 | 0 | 0 | 0 | 110.2 | N279 C281 R289 A296 V297 H300 | N279-F291 HydrophobicContact CB-CB 4.22Å; C281-F291 HydrophobicContact CB-CE2 4.41Å; R289-F291 HydrophobicContact CB-CZ 4.46Å; R289-F291 WeakPolarHBondContact O-CD2 3.23Å; R289-F291 VanDerWaalsContact O-CE2 3.25Å; R289-F291 WeakPolarHBondContact O-CE2 3.47Å; F291-A296 HydrophobicContact CD1-CB 4.06Å; F291-V297 HydrophobicContact CB-CG2 3.35Å; F291-V297 HydrophobicContact CD1-CG2 4.48Å; F291-V297 HydrophobicContact CD2-CB 4.47Å; F291-V297 HydrophobicContact CD2-CG2 3.61Å; F291-V297 HydrophobicContact CG-CG2 3.57Å; F291-H300 HydrophobicContact CE1-CB 3.85Å; F291-H300 HydrophobicContact CE2-CB 4.44Å; F291-H300 HydrophobicContact CZ-CB 3.63Å; F291-H300 AromaticContact CZ-CD2 3.7Å; F291-H300 AromaticContact CZ-CE1 3.87Å; F291-H300 AromaticContact CZ-CG 3.35Å; F291-H300 AromaticContact CZ-ND1 3.52Å |
| 292 | Y | 86.9 | Confident | 85.1 | Confident | 163 Ų | 163 | 68.6 Ų | 68.6 | 64% | 0.639 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -115.4 | -4.2 | -178.8 | -64.2 | -86.9 | 0 | 0 | 0 | 112.6 | P162 P163 | P162-Y292 HydrophobicContact CB-CE1 3.84Å; P163-Y292 HydrophobicContact CG-CD1 4.34Å |
| 293 | S | 90.9 | Very high | 85.3 | Confident | 56 Ų | 56 | 74.9 Ų | 74.9 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -142.8 | 149.1 | 176.8 | 67.4 | 0 | 0 | 0 | 0 | 111 | N279 E295 A296 V297 | N279-S293 PolarHBondContact OD1-O 3.41Å; S293-E295 VanDerWaalsContact C-N 3.33Å; S293-E295 PolarHBondContact O-N 3Å; S293-A296 PolarHBondContact O-N 3.29Å; S293-A296 WeakPolarHBondContact OG-CB 3.45Å; S293-A296 PolarHBondContact OG-N 2.95Å; S293-V297 PolarHBondContact O-N 3.38Å |
| 294 | T | 89.4 | Confident | 85.4 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 34% | 0.344 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | -178.5 | 52.5 | 0 | 0 | 0 | 0 | 111.2 | G276 N279 A296 V297 Q298 | G276-T294 WeakPolarHBondContact O-CG2 3.47Å; N279-T294 VanDerWaalsContact OD1-CA 3.28Å; N279-T294 WeakPolarHBondContact OD1-CA 3.48Å; N279-T294 VanDerWaalsContact OD1-CG2 3.31Å; N279-T294 WeakPolarHBondContact OD1-CG2 3.43Å; N279-T294 PolarHBondContact OD1-N 3.4Å; T294-A296 VanDerWaalsContact C-N 3.32Å; T294-A296 PolarHBondContact O-N 3.24Å; T294-V297 WeakPolarHBondContact O-CB 3.3Å; T294-V297 PolarHBondContact O-N 2.9Å; T294-Q298 WeakPolarHBondContact O-CB 3.28Å; T294-Q298 VanDerWaalsContact O-CG 3.31Å; T294-Q298 WeakPolarHBondContact O-CG 3.23Å; T294-Q298 PolarHBondContact O-N 3.18Å |
| 295 | E | 92.2 | Very high | 85.5 | Confident | 151 Ų | 151 | 78 Ų | 78 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.7 | -38.6 | 175 | -171.7 | -179.9 | -175.1 | 0 | 0 | 112.2 | S293 V297 Q298 S299 | S293-E295 VanDerWaalsContact C-N 3.33Å; S293-E295 PolarHBondContact O-N 3Å; E295-V297 VanDerWaalsContact C-N 3.34Å; E295-Q298 PolarHBondContact O-N 3.06Å; E295-S299 WeakPolarHBondContact O-CB 3.41Å; E295-S299 PolarHBondContact O-N 3.41Å; E295-S299 PolarHBondContact O-OG 3.27Å |
| 296 | A | 92.1 | Very high | 86.2 | Confident | 33 Ų | 33 | 78.7 Ų | 78.7 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.6 | -35 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F291 S293 T294 S299 H300 | F291-A296 HydrophobicContact CD1-CB 4.06Å; S293-A296 PolarHBondContact O-N 3.29Å; S293-A296 WeakPolarHBondContact OG-CB 3.45Å; S293-A296 PolarHBondContact OG-N 2.95Å; T294-A296 VanDerWaalsContact C-N 3.32Å; T294-A296 PolarHBondContact O-N 3.24Å; A296-S299 WeakPolarHBondContact CA-OG 3.39Å; A296-S299 PolarHBondContact O-OG 3.12Å; A296-S299 VanDerWaalsContact O-OG 3.07Å; A296-H300 VanDerWaalsContact O-CB 3.27Å; A296-H300 WeakPolarHBondContact O-CB 3.48Å; A296-H300 PolarHBondContact O-N 3.24Å; A296-H300 VanDerWaalsContact O-N 3.13Å |
| 297 | V | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.3 | -47.9 | 173.1 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | V275 N279 F291 S293 T294 E295 H300 M301 | V275-V297 HydrophobicContact CG1-CG1 4.12Å; N279-V297 VanDerWaalsContact C-CG2 3.41Å; N279-V297 HydrophobicContact CB-CG2 3.81Å; N279-V297 WeakPolarHBondContact O-CG2 3.32Å; F291-V297 HydrophobicContact CB-CG2 3.35Å; F291-V297 HydrophobicContact CD1-CG2 4.48Å; F291-V297 HydrophobicContact CD2-CB 4.47Å; F291-V297 HydrophobicContact CD2-CG2 3.61Å; F291-V297 HydrophobicContact CG-CG2 3.57Å; S293-V297 PolarHBondContact O-N 3.38Å; T294-V297 WeakPolarHBondContact O-CB 3.3Å; T294-V297 PolarHBondContact O-N 2.9Å; E295-V297 VanDerWaalsContact C-N 3.34Å; V297-H300 WeakPolarHBondContact O-CB 3.44Å; V297-H300 PolarHBondContact O-N 2.99Å; V297-M301 HydrophobicContact CG1-CG 4.28Å; V297-M301 HydrophobicContact CG1-SD 3.77Å; V297-M301 VanDerWaalsContact O-CG 3.23Å; V297-M301 WeakPolarHBondContact O-CG 3.43Å; V297-M301 PolarHBondContact O-N 2.99Å |
| 298 | Q | 92.1 | Very high | 88 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.4 | -47.9 | -178 | -74.5 | -179.2 | -12.3 | 0 | 0 | 111.6 | L231 T294 E295 H300 M301 T302 | L231-Q298 WeakPolarHBondContact O-CG 3.31Å; L231-Q298 PolarHBondContact O-NE2 3.44Å; T294-Q298 WeakPolarHBondContact O-CB 3.28Å; T294-Q298 VanDerWaalsContact O-CG 3.31Å; T294-Q298 WeakPolarHBondContact O-CG 3.23Å; T294-Q298 PolarHBondContact O-N 3.18Å; E295-Q298 PolarHBondContact O-N 3.06Å; Q298-H300 PolarHBondContact O-N 3.15Å; Q298-M301 PolarHBondContact O-N 3.3Å; Q298-M301 VanDerWaalsContact O-N 3.15Å; Q298-T302 PolarHBondContact O-N 3.44Å; Q298-T302 PolarHBondContact O-OG1 3.35Å |
| 299 | S | 91.9 | Very high | 89.1 | Confident | 50 Ų | 50 | 66 Ų | 66 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 173.9 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | E295 A296 M301 T302 D303 | E295-S299 WeakPolarHBondContact O-CB 3.41Å; E295-S299 PolarHBondContact O-N 3.41Å; E295-S299 PolarHBondContact O-OG 3.27Å; A296-S299 WeakPolarHBondContact CA-OG 3.39Å; A296-S299 PolarHBondContact O-OG 3.12Å; A296-S299 VanDerWaalsContact O-OG 3.07Å; S299-M301 VanDerWaalsContact C-N 3.31Å; S299-M301 PolarHBondContact O-N 3.48Å; S299-T302 WeakPolarHBondContact CA-OG1 3.36Å; S299-T302 PolarHBondContact O-N 3.44Å; S299-T302 PolarHBondContact O-OG1 2.66Å; S299-D303 VanDerWaalsContact O-CB 3.25Å; S299-D303 WeakPolarHBondContact O-CB 3.36Å; S299-D303 PolarHBondContact O-N 3.49Å |
| 300 | H | 92 | Very high | 89.6 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 9% | 0.088 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59 | -42.1 | 173.9 | 170.6 | 87.9 | 0 | 0 | 0 | 112.7 | F291 A296 V297 Q298 K304 H306 | F291-H300 HydrophobicContact CE1-CB 3.85Å; F291-H300 HydrophobicContact CE2-CB 4.44Å; F291-H300 HydrophobicContact CZ-CB 3.63Å; F291-H300 AromaticContact CZ-CD2 3.7Å; F291-H300 AromaticContact CZ-CE1 3.87Å; F291-H300 AromaticContact CZ-CG 3.35Å; F291-H300 AromaticContact CZ-ND1 3.52Å; A296-H300 VanDerWaalsContact O-CB 3.27Å; A296-H300 WeakPolarHBondContact O-CB 3.48Å; A296-H300 PolarHBondContact O-N 3.24Å; A296-H300 VanDerWaalsContact O-N 3.13Å; V297-H300 WeakPolarHBondContact O-CB 3.44Å; V297-H300 PolarHBondContact O-N 2.99Å; Q298-H300 PolarHBondContact O-N 3.15Å; H300-K304 WeakPolarHBondContact CE1-CD 3.36Å; H300-K304 VanDerWaalsContact CE1-CE 3.43Å; H300-K304 WeakPolarHBondContact CE1-CE 3.45Å; H300-K304 PolarHBondContact CE1-NZ 3.17Å; H300-K304 WeakPolarHBondContact ND1-CE 3.5Å; H300-K304 WeakPolarHBondContact O-CB 3.47Å; H300-K304 PolarHBondContact O-N 3.47Å; H300-K304 VanDerWaalsContact O-N 3.1Å; H300-H306 AromaticContact NE2-ND1 3.41Å; H300-H306 PolarHBondContact NE2-ND1 3.43Å |
| 301 | M | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.2 | -40.8 | -179.9 | -70.1 | -179.3 | 88.6 | 0 | 0 | 111.6 | F232 C281 L282 V297 Q298 S299 S305 H306 C307 | F232-M301 HydrophobicContact CD1-CB 4.38Å; F232-M301 HydrophobicContact CD1-CE 3.89Å; F232-M301 HydrophobicContact CD1-SD 4.02Å; F232-M301 HydrophobicContact CE1-CE 3.43Å; F232-M301 VanDerWaalsContact CE1-CE 3.43Å; F232-M301 HydrophobicContact CE1-SD 4.11Å; C281-M301 HydrophobicContact CB-CG 4.3Å; L282-M301 HydrophobicContact CB-CE 3.77Å; L282-M301 HydrophobicContact CD1-CE 3.98Å; L282-M301 HydrophobicContact CG-CE 3.71Å; V297-M301 HydrophobicContact CG1-CG 4.28Å; V297-M301 HydrophobicContact CG1-SD 3.77Å; V297-M301 VanDerWaalsContact O-CG 3.23Å; V297-M301 WeakPolarHBondContact O-CG 3.43Å; V297-M301 PolarHBondContact O-N 2.99Å; Q298-M301 PolarHBondContact O-N 3.3Å; Q298-M301 VanDerWaalsContact O-N 3.15Å; S299-M301 VanDerWaalsContact C-N 3.31Å; S299-M301 PolarHBondContact O-N 3.48Å; M301-S305 CarbonylContact O-C 3.57Å; M301-S305 VanDerWaalsContact O-CA 3.27Å; M301-S305 WeakPolarHBondContact O-CA 3.42Å; M301-S305 PolarHBondContact O-N 2.89Å; M301-H306 WeakPolarHBondContact CE-O 3.44Å; M301-H306 PolarHBondContact O-N 2.94Å; M301-C307 PolarHBondContact O-SG 3.21Å; M301-C307 VanDerWaalsContact O-SG 3.41Å |
| 302 | T | 92.1 | Very high | 89.3 | Confident | 60 Ų | 60 | 62.5 Ų | 62.5 | 37% | 0.368 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -70.5 | -45.1 | 176.2 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | Q298 S299 K304 S305 | Q298-T302 PolarHBondContact O-N 3.44Å; Q298-T302 PolarHBondContact O-OG1 3.35Å; S299-T302 WeakPolarHBondContact CA-OG1 3.36Å; S299-T302 PolarHBondContact O-N 3.44Å; S299-T302 PolarHBondContact O-OG1 2.66Å; T302-K304 VanDerWaalsContact C-N 3.34Å; T302-K304 PolarHBondContact O-N 2.87Å; T302-S305 PolarHBondContact O-N 2.91Å |
| 303 | D | 92.1 | Very high | 88.9 | Confident | 134 Ų | 134 | 57.7 Ų | 57.7 | 72% | 0.717 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -67.9 | -34.8 | -175 | -68.5 | -9.7 | 0 | 0 | 0 | 112.3 | S299 | S299-D303 VanDerWaalsContact O-CB 3.25Å; S299-D303 WeakPolarHBondContact O-CB 3.36Å; S299-D303 PolarHBondContact O-N 3.49Å |
| 304 | K | 89.8 | Confident | 88.1 | Confident | 109 Ų | 109 | 61.2 Ų | 61.2 | 47% | 0.474 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 0.7 | 178.2 | -59.8 | -165.8 | -173.2 | -172.7 | 0 | 113.7 | H300 T302 H306 | H300-K304 WeakPolarHBondContact CE1-CD 3.36Å; H300-K304 VanDerWaalsContact CE1-CE 3.43Å; H300-K304 WeakPolarHBondContact CE1-CE 3.45Å; H300-K304 PolarHBondContact CE1-NZ 3.17Å; H300-K304 WeakPolarHBondContact ND1-CE 3.5Å; H300-K304 WeakPolarHBondContact O-CB 3.47Å; H300-K304 PolarHBondContact O-N 3.47Å; H300-K304 VanDerWaalsContact O-N 3.1Å; T302-K304 VanDerWaalsContact C-N 3.34Å; T302-K304 PolarHBondContact O-N 2.87Å; K304-H306 PolarHBondContact O-CD2 2.78Å; K304-H306 VanDerWaalsContact O-CD2 3.29Å; K304-H306 PolarHBondContact O-N 2.87Å |
| 305 | S | 88.5 | Confident | 87.4 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 32.8 | -172.1 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | M301 T302 C307 | M301-S305 CarbonylContact O-C 3.57Å; M301-S305 VanDerWaalsContact O-CA 3.27Å; M301-S305 WeakPolarHBondContact O-CA 3.42Å; M301-S305 PolarHBondContact O-N 2.89Å; T302-S305 PolarHBondContact O-N 2.91Å; S305-C307 PolarHBondContact O-N 2.91Å; S305-C307 VanDerWaalsContact O-N 3.14Å |
| 306 | H | 90.1 | Very high | 86.6 | Confident | 38 Ų | 38 | 53.8 Ų | 53.8 | 18% | 0.176 | 31% | 0.313 | C | S | . | . | trans | -81.9 | 28.9 | 175.2 | -70.9 | -177 | 0 | 0 | 0 | 112.3 | C281 W283 C284 H300 M301 K304 K308 | C281-H306 VanDerWaalsContact SG-CB 3.59Å; W283-H306 HydrophobicContact CB-CB 3.81Å; W283-H306 AromaticContact CD1-CD2 3.75Å; W283-H306 AromaticContact CD1-CG 3.97Å; W283-H306 AromaticContact CD1-NE2 3.82Å; W283-H306 HydrophobicContact CG-CB 4.47Å; C284-H306 PolarHBondContact SG-CE1 3.07Å; C284-H306 PolarHBondContact SG-ND1 2.74Å; H300-H306 AromaticContact NE2-ND1 3.41Å; H300-H306 PolarHBondContact NE2-ND1 3.43Å; M301-H306 WeakPolarHBondContact CE-O 3.44Å; M301-H306 PolarHBondContact O-N 2.94Å; K304-H306 PolarHBondContact O-CD2 2.78Å; K304-H306 VanDerWaalsContact O-CD2 3.29Å; K304-H306 PolarHBondContact O-N 2.87Å; H306-K308 PolarHBondContact O-N 3.4Å; H306-K308 VanDerWaalsContact O-N 3.14Å | ||
| 307 | C | 88.4 | Confident | 86.2 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.034 | 33% | 0.33 | C | S | . | . | trans | -84.7 | 40.8 | 175.1 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | F232 H251 F253 M301 S305 | F232-C307 HydrophobicContact CD1-CB 4.16Å; F232-C307 HydrophobicContact CD2-CB 4.32Å; F232-C307 HydrophobicContact CE1-CB 4.11Å; F232-C307 HydrophobicContact CE2-CB 4.25Å; F232-C307 HydrophobicContact CG-CB 4.27Å; F232-C307 HydrophobicContact CZ-CB 4.15Å; H251-C307 HydrophobicContact CB-CB 4.21Å; H251-C307 WeakPolarHBondContact O-CB 3.49Å; F253-C307 WeakPolarHBondContact CD2-O 3.48Å; M301-C307 PolarHBondContact O-SG 3.21Å; M301-C307 VanDerWaalsContact O-SG 3.41Å; S305-C307 PolarHBondContact O-N 2.91Å; S305-C307 VanDerWaalsContact O-N 3.14Å | ||
| 308 | K | 88.7 | Confident | 85.8 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -127.2 | 146 | -179.8 | -60.2 | 178.6 | -170.4 | 179 | 0 | 108.5 | W283 H306 | W283-K308 HydrophobicContact CE3-CB 3.93Å; W283-K308 HydrophobicContact CZ3-CB 4.2Å; H306-K308 PolarHBondContact O-N 3.4Å; H306-K308 VanDerWaalsContact O-N 3.14Å |
| 309 | L | 88.4 | Confident | 85.4 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | trans | -79.1 | 127.2 | 173.6 | -164.4 | 66.1 | 0 | 0 | 0 | 108.9 | F253 L271 T311 F319 | F253-L309 HydrophobicContact CE2-CB 4.49Å; L271-L309 HydrophobicContact CD2-CD1 3.64Å; L309-T311 HydrophobicContact CD2-CG2 4.06Å; L309-T311 HydrophobicContact CG-CG2 4.15Å; L309-F319 HydrophobicContact CD1-CE1 4.08Å; L309-F319 HydrophobicContact CD1-CE2 4Å; L309-F319 HydrophobicContact CD1-CZ 3.57Å; L309-F319 HydrophobicContact CD2-CD2 4.43Å; L309-F319 HydrophobicContact CD2-CE2 4.32Å; L309-F319 HydrophobicContact CD2-CZ 4.46Å; L309-F319 HydrophobicContact CG-CE2 4.11Å; L309-F319 HydrophobicContact CG-CZ 4.19Å | ||
| 310 | F | 84.8 | Confident | 85.1 | Confident | 52 Ų | 52 | 60 Ų | 60 | 23% | 0.228 | 34% | 0.341 | C | S | . | . | trans | -87.7 | 112.4 | 173.4 | -176.9 | -99.1 | 0 | 0 | 0 | 109.1 | L282 W283 D312 A315 | L282-F310 PolarHBondContact O-N 2.92Å; W283-F310 HydrophobicContact CD2-CB 4.28Å; W283-F310 HydrophobicContact CD2-CD2 4.17Å; W283-F310 HydrophobicContact CE3-CB 3.68Å; W283-F310 AromaticContact CE3-CD2 3.95Å; W283-F310 HydrophobicContact CE3-CD2 3.95Å; W283-F310 HydrophobicContact CE3-CG 4.33Å; W283-F310 AromaticContact CH2-CD2 3.81Å; W283-F310 HydrophobicContact CH2-CD2 3.81Å; W283-F310 HydrophobicContact CH2-CE2 4.49Å; W283-F310 HydrophobicContact CZ2-CD2 4.03Å; W283-F310 HydrophobicContact CZ3-CB 4.02Å; W283-F310 AromaticContact CZ3-CD2 3.77Å; W283-F310 HydrophobicContact CZ3-CD2 3.77Å; W283-F310 HydrophobicContact CZ3-CG 4.4Å; F310-D312 HydrophobicContact CE1-CB 4.15Å; F310-D312 WeakPolarHBondContact CE1-O 3.36Å; F310-D312 HydrophobicContact CE2-CB 3.89Å; F310-D312 HydrophobicContact CZ-CB 3.63Å; F310-A315 HydrophobicContact CD1-CB 3.7Å; F310-A315 HydrophobicContact CE1-CB 4.16Å; F310-A315 WeakPolarHBondContact O-CB 3.46Å | ||
| 311 | T | 80.8 | Confident | 84.8 | Confident | 52 Ų | 52 | 66.3 Ų | 66.3 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | trans | -113.2 | 10.6 | -178.5 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | P256 L309 A316 | P256-T311 HydrophobicContact CB-CG2 4.42Å; P256-T311 HydrophobicContact CG-CG2 3.79Å; L309-T311 HydrophobicContact CD2-CG2 4.06Å; L309-T311 HydrophobicContact CG-CG2 4.15Å; T311-A316 WeakPolarHBondContact O-CB 3.46Å | ||
| 312 | D | 80.7 | Confident | 84.7 | Confident | 105 Ų | 105 | 68 Ų | 68 | 56% | 0.561 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -85.9 | 131.9 | 179.7 | -62.8 | -32.5 | 0 | 0 | 0 | 110.9 | F310 | F310-D312 HydrophobicContact CE1-CB 4.15Å; F310-D312 WeakPolarHBondContact CE1-O 3.36Å; F310-D312 HydrophobicContact CE2-CB 3.89Å; F310-D312 HydrophobicContact CZ-CB 3.63Å |
| 313 | G | 80 | Confident | 84.4 | Confident | 62 Ų | 62 | 66.4 Ų | 66.4 | 64% | 0.639 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | 72.8 | -138.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A315 A316 | G313-A315 PolarHBondContact O-N 3.3Å; G313-A315 VanDerWaalsContact O-N 3.16Å; G313-A316 VanDerWaalsContact O-CB 3.3Å; G313-A316 WeakPolarHBondContact O-CB 3.21Å; G313-A316 PolarHBondContact O-N 3.07Å |
| 314 | D | 72.2 | Confident | 84.1 | Confident | 131 Ų | 131 | 63 Ų | 63 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -59.3 | -27.8 | -173.9 | -156.3 | 21.8 | 0 | 0 | 0 | 113.3 | A316 L317 | D314-A316 PolarHBondContact O-N 3.49Å; D314-L317 WeakPolarHBondContact O-CB 3.33Å; D314-L317 PolarHBondContact O-N 3Å; D314-L317 VanDerWaalsContact O-N 3.13Å |
| 315 | A | 74.9 | Confident | 83.6 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -65.1 | -21.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | F310 G313 L317 F319 | F310-A315 HydrophobicContact CD1-CB 3.7Å; F310-A315 HydrophobicContact CE1-CB 4.16Å; F310-A315 WeakPolarHBondContact O-CB 3.46Å; G313-A315 PolarHBondContact O-N 3.3Å; G313-A315 VanDerWaalsContact O-N 3.16Å; A315-L317 VanDerWaalsContact C-N 3.31Å; A315-F319 WeakPolarHBondContact O-CD2 3.41Å; A315-F319 WeakPolarHBondContact O-CE2 3.49Å |
| 316 | A | 77.1 | Confident | 83.1 | Confident | 45 Ų | 45 | 66 Ų | 66 | 37% | 0.372 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -67.2 | -34.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T311 G313 D314 E318 F319 A320 | T311-A316 WeakPolarHBondContact O-CB 3.46Å; G313-A316 VanDerWaalsContact O-CB 3.3Å; G313-A316 WeakPolarHBondContact O-CB 3.21Å; G313-A316 PolarHBondContact O-N 3.07Å; D314-A316 PolarHBondContact O-N 3.49Å; A316-E318 VanDerWaalsContact C-N 3.33Å; A316-E318 PolarHBondContact O-N 3.1Å; A316-F319 PolarHBondContact O-N 3.46Å; A316-A320 PolarHBondContact O-N 3.44Å |
| 317 | L | 82.8 | Confident | 82 | Confident | 122 Ų | 122 | 68.1 Ų | 68.1 | 64% | 0.639 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -68.1 | -34.4 | -178.9 | -65.9 | 170.2 | 0 | 0 | 0 | 111.4 | D314 A315 F319 A320 | D314-L317 WeakPolarHBondContact O-CB 3.33Å; D314-L317 PolarHBondContact O-N 3Å; D314-L317 VanDerWaalsContact O-N 3.13Å; A315-L317 VanDerWaalsContact C-N 3.31Å; L317-F319 PolarHBondContact O-N 3.27Å; L317-F319 VanDerWaalsContact O-N 3.14Å; L317-A320 WeakPolarHBondContact O-CB 3.37Å; L317-A320 PolarHBondContact O-N 2.86Å |
| 318 | E | 82.4 | Confident | 80.9 | Confident | 76 Ų | 76 | 70.3 Ų | 70.3 | 36% | 0.355 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -60.5 | -23.3 | 175.6 | -64.7 | -177.4 | -155.6 | 0 | 0 | 113.7 | Y270 K274 A316 | Y270-E318 PolarHBondContact OH-OE2 3.34Å; K274-E318 IonicContact NZ-OE1 3.93Å; K274-E318 IonicContact NZ-OE2 3.7Å; K274-E318 PolarHBondContact NZ-OE2 3.14Å; A316-E318 VanDerWaalsContact C-N 3.33Å; A316-E318 PolarHBondContact O-N 3.1Å |
| 319 | F | 84.8 | Confident | 80 | Confident | 7 Ų | 7 | 73 Ų | 73 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -105.9 | -2.1 | -177.8 | -53.5 | -63.5 | 0 | 0 | 0 | 112.9 | L267 Y270 L271 L309 A315 A316 L317 D321 F322 Y323 | L267-F319 HydrophobicContact CD1-CD1 3.93Å; Y270-F319 HydrophobicContact CD1-CD1 4.2Å; Y270-F319 AromaticContact CD1-CE1 3.98Å; Y270-F319 HydrophobicContact CD1-CE1 3.98Å; Y270-F319 HydrophobicContact CE1-CD1 4.01Å; Y270-F319 AromaticContact CE1-CE1 3.63Å; Y270-F319 HydrophobicContact CE1-CE1 3.63Å; L271-F319 HydrophobicContact CD2-CE1 4.04Å; L309-F319 HydrophobicContact CD1-CE1 4.08Å; L309-F319 HydrophobicContact CD1-CE2 4Å; L309-F319 HydrophobicContact CD1-CZ 3.57Å; L309-F319 HydrophobicContact CD2-CD2 4.43Å; L309-F319 HydrophobicContact CD2-CE2 4.32Å; L309-F319 HydrophobicContact CD2-CZ 4.46Å; L309-F319 HydrophobicContact CG-CE2 4.11Å; L309-F319 HydrophobicContact CG-CZ 4.19Å; A315-F319 WeakPolarHBondContact O-CD2 3.41Å; A315-F319 WeakPolarHBondContact O-CE2 3.49Å; A316-F319 PolarHBondContact O-N 3.46Å; L317-F319 PolarHBondContact O-N 3.27Å; L317-F319 VanDerWaalsContact O-N 3.14Å; F319-D321 VanDerWaalsContact C-N 3.26Å; F319-D321 PolarHBondContact O-N 3.39Å; F319-F322 PolarHBondContact O-N 3.03Å; F319-F322 VanDerWaalsContact O-N 3.14Å; F319-Y323 HydrophobicContact CB-CE2 4.41Å; F319-Y323 WeakPolarHBondContact O-CD2 3.36Å |
| 320 | A | 85.2 | Confident | 78.6 | Confident | 43 Ų | 43 | 78.3 Ų | 78.3 | 36% | 0.355 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -57 | -39 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A316 L317 F322 Y323 | A316-A320 PolarHBondContact O-N 3.44Å; L317-A320 WeakPolarHBondContact O-CB 3.37Å; L317-A320 PolarHBondContact O-N 2.86Å; A320-F322 PolarHBondContact O-N 3.43Å; A320-Y323 PolarHBondContact O-N 3.34Å |
| 321 | D | 86.3 | Confident | 77.2 | Confident | 150 Ų | 150 | 82 Ų | 82 | 80% | 0.802 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -61.4 | -21.1 | -177.6 | -53.2 | -22.8 | 0 | 0 | 0 | 113.8 | F319 | F319-D321 VanDerWaalsContact C-N 3.26Å; F319-D321 PolarHBondContact O-N 3.39Å |
| 322 | F | 87.8 | Confident | 75.7 | Confident | 35 Ų | 35 | 86.1 Ų | 86.1 | 15% | 0.154 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -91.5 | -9.7 | 179.9 | -54.9 | -70.7 | 0 | 0 | 0 | 113.6 | V262 L267 Y270 F319 A320 | V262-F322 PolarHBondContact N-O 3.41Å; V262-F322 VanDerWaalsContact N-O 3.15Å; L267-F322 HydrophobicContact CB-CB 4.42Å; L267-F322 HydrophobicContact CB-CD1 4.47Å; L267-F322 HydrophobicContact CB-CG 4.25Å; L267-F322 HydrophobicContact CD1-CD2 3.94Å; L267-F322 HydrophobicContact CD1-CE2 4.47Å; L267-F322 HydrophobicContact CD1-CG 4.32Å; Y270-F322 HydrophobicContact CD1-CE2 4.16Å; Y270-F322 HydrophobicContact CG-CE2 4.3Å; Y270-F322 HydrophobicContact CG-CZ 4.31Å; F319-F322 PolarHBondContact O-N 3.03Å; F319-F322 VanDerWaalsContact O-N 3.14Å; A320-F322 PolarHBondContact O-N 3.43Å |
| 323 | Y | 87.8 | Confident | 74 | Confident | 27 Ų | 27 | 85.1 Ų | 85.1 | 11% | 0.106 | 46% | 0.462 | C | S | . | . | B | Isolated β-bridge | trans | -118.9 | 136.1 | -174.2 | -74.2 | -96.7 | 0 | 0 | 0 | 111.4 | I255 P256 D257 F260 L261 L267 F319 A320 F325 | I255-Y323 WeakPolarHBondContact CG2-OH 3.17Å; P256-Y323 VanDerWaalsContact O-CE1 3.31Å; P256-Y323 WeakPolarHBondContact O-CE1 3.42Å; P256-Y323 PolarHBondContact O-OH 2.85Å; D257-Y323 HydrophobicContact CB-CE1 4.17Å; D257-Y323 WeakPolarHBondContact O-CE1 3.04Å; F260-Y323 HydrophobicContact CB-CD1 4.42Å; F260-Y323 CarbonylContact O-C 3.43Å; F260-Y323 WeakPolarHBondContact O-CA 3.49Å; L261-Y323 HydrophobicContact CB-CD1 4.17Å; L261-Y323 HydrophobicContact CB-CE1 3.94Å; L261-Y323 HydrophobicContact CD1-CE1 3.97Å; L261-Y323 HydrophobicContact CD1-CE2 4.4Å; L261-Y323 HydrophobicContact CG-CD1 4.35Å; L261-Y323 HydrophobicContact CG-CE1 3.97Å; L261-Y323 HydrophobicContact CG-CE2 4.44Å; L267-Y323 HydrophobicContact CD2-CE2 4.43Å; F319-Y323 HydrophobicContact CB-CE2 4.41Å; F319-Y323 WeakPolarHBondContact O-CD2 3.36Å; A320-Y323 PolarHBondContact O-N 3.34Å; Y323-F325 VanDerWaalsContact CB-CE2 3.46Å; Y323-F325 HydrophobicContact CD1-CE1 4.47Å; Y323-F325 HydrophobicContact CD1-CE2 4.45Å; Y323-F325 AromaticContact CD1-CZ 3.92Å; Y323-F325 HydrophobicContact CD1-CZ 3.92Å; Y323-F325 HydrophobicContact CG-CE2 4.13Å; Y323-F325 HydrophobicContact CG-CZ 4.03Å |
| 324 | D | 84.1 | Confident | 72.3 | Confident | 62 Ų | 62 | 91.9 Ų | 91.9 | 33% | 0.332 | 48% | 0.477 | S | S | . | . | trans | -113.1 | 94.8 | 172.4 | -176.1 | 12.6 | 0 | 0 | 0 | 110.9 | F260 V262 R326 | F260-D324 PolarHBondContact O-N 3.03Å; V262-D324 HydrophobicContact CG2-CB 3.44Å; V262-D324 VanDerWaalsContact CG2-CB 3.44Å; D324-R326 VanDerWaalsContact C-N 3.27Å; D324-R326 PolarHBondContact O-N 2.97Å; D324-R326 WeakPolarHBondContact OD1-CB 3.46Å; D324-R326 WeakPolarHBondContact OD1-CD 3.29Å; D324-R326 WeakPolarHBondContact OD1-CG 3.09Å; D324-R326 PolarHBondContact OD1-N 2.56Å | ||
| 325 | F | 80.8 | Confident | 71.1 | Confident | 80 Ų | 80 | 89.3 Ų | 89.3 | 35% | 0.351 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -81.6 | -0.8 | 175.6 | -62 | -74.3 | 0 | 0 | 0 | 113.3 | D257 F260 Y323 S327 S328 Y329 | D257-F325 HydrophobicContact CB-CE1 4.32Å; F260-F325 HydrophobicContact CB-CD1 4.03Å; F260-F325 HydrophobicContact CB-CE1 4.11Å; F260-F325 AromaticContact CD2-CD1 3.95Å; F260-F325 HydrophobicContact CD2-CD1 3.95Å; F260-F325 HydrophobicContact CD2-CE1 4.02Å; F260-F325 HydrophobicContact CG-CD1 4.04Å; F260-F325 HydrophobicContact CG-CE1 4.34Å; Y323-F325 VanDerWaalsContact CB-CE2 3.46Å; Y323-F325 HydrophobicContact CD1-CE1 4.47Å; Y323-F325 HydrophobicContact CD1-CE2 4.45Å; Y323-F325 AromaticContact CD1-CZ 3.92Å; Y323-F325 HydrophobicContact CD1-CZ 3.92Å; Y323-F325 HydrophobicContact CG-CE2 4.13Å; Y323-F325 HydrophobicContact CG-CZ 4.03Å; F325-S327 PolarHBondContact O-N 3.24Å; F325-S327 VanDerWaalsContact O-N 3.11Å; F325-S328 WeakPolarHBondContact O-CB 3.45Å; F325-S328 PolarHBondContact O-N 3.37Å; F325-S328 PolarHBondContact O-OG 2.94Å; F325-S328 VanDerWaalsContact O-OG 3.1Å; F325-Y329 HydrophobicContact CB-CE2 4.28Å; F325-Y329 WeakPolarHBondContact O-CD2 3.38Å; F325-Y329 WeakPolarHBondContact O-CE2 3.46Å |
| 326 | R | 76.4 | Confident | 69.6 | Low | 172 Ų | 172 | 92.6 Ų | 92.6 | 65% | 0.649 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -61.4 | -24.2 | -178.9 | -67 | 172.8 | 150.4 | 178 | -7.1 | 112.8 | D324 S328 | D324-R326 VanDerWaalsContact C-N 3.27Å; D324-R326 PolarHBondContact O-N 2.97Å; D324-R326 WeakPolarHBondContact OD1-CB 3.46Å; D324-R326 WeakPolarHBondContact OD1-CD 3.29Å; D324-R326 WeakPolarHBondContact OD1-CG 3.09Å; D324-R326 PolarHBondContact OD1-N 2.56Å; R326-S328 VanDerWaalsContact C-N 3.34Å |
| 327 | S | 67.9 | Low | 68 | Low | 82 Ų | 82 | 97 Ų | 97 | 57% | 0.573 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -77.7 | -16.2 | 177.1 | 60.6 | 0 | 0 | 0 | 0 | 113.9 | F260 F325 | F260-S327 VanDerWaalsContact CD1-OG 3.28Å; F260-S327 WeakPolarHBondContact CD1-OG 3.38Å; F260-S327 WeakPolarHBondContact CE1-OG 3.21Å; F325-S327 PolarHBondContact O-N 3.24Å; F325-S327 VanDerWaalsContact O-N 3.11Å |
| 328 | S | 65.9 | Low | 66.2 | Low | 51 Ų | 51 | 99.5 Ų | 99.5 | 36% | 0.357 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -16.3 | -176.6 | -26.9 | 0 | 0 | 0 | 0 | 113.2 | F260 F325 R326 P330 | F260-S328 VanDerWaalsContact CD1-OG 3.31Å; F260-S328 WeakPolarHBondContact CD1-OG 3.39Å; F260-S328 WeakPolarHBondContact CE1-OG 3.3Å; F260-S328 WeakPolarHBondContact CZ-OG 3.4Å; F325-S328 WeakPolarHBondContact O-CB 3.45Å; F325-S328 PolarHBondContact O-N 3.37Å; F325-S328 PolarHBondContact O-OG 2.94Å; F325-S328 VanDerWaalsContact O-OG 3.1Å; R326-S328 VanDerWaalsContact C-N 3.34Å; S328-P330 WeakPolarHBondContact O-CD 3.31Å |
| 329 | Y | 67.9 | Low | 64.4 | Low | 162 Ų | 162 | 104.6 Ų | 104.6 | 64% | 0.635 | 56% | 0.558 | S | S | * | * | trans | -80 | 117.8 | -178 | -70.2 | -83 | 0 | 0 | 0 | 110.7 | F325 D331 R332 | F325-Y329 HydrophobicContact CB-CE2 4.28Å; F325-Y329 WeakPolarHBondContact O-CD2 3.38Å; F325-Y329 WeakPolarHBondContact O-CE2 3.46Å; Y329-D331 PolarHBondContact O-N 3.44Å; Y329-R332 PolarHBondContact O-N 3.31Å | ||
| 330 | P | 59.2 | Low | 62.4 | Low | 123 Ų | 123 | 113.1 Ų | 113.1 | 80% | 0.799 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -13.5 | -177.1 | -22.5 | 33.3 | 0 | 0 | 0 | 115.5 | S328 | S328-P330 WeakPolarHBondContact O-CD 3.31Š|
| 331 | D | 56.3 | Low | 60.1 | Low | 130 Ų | 130 | 116.9 Ų | 116.9 | 70% | 0.695 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 9.2 | -175.1 | -67.6 | -32.9 | 0 | 0 | 0 | 113.4 | Y329 S333 K348 | Y329-D331 PolarHBondContact O-N 3.44Å; D331-S333 PolarHBondContact O-N 3.47Å; D331-S333 VanDerWaalsContact O-N 3.11Å; D331-K348 IonicContact OD1-NZ 3.44Å |
| 332 | R | 50 | Low | 58.4 | Low | 138 Ų | 138 | 118.2 Ų | 118.2 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | trans | -81.1 | 91.9 | 173.8 | -163.4 | 167.3 | -172.7 | -180 | 0.1 | 110.7 | Y329 E334 | Y329-R332 PolarHBondContact O-N 3.31Å; R332-E334 PolarHBondContact O-N 3.18Å | ||
| 333 | S | 45.2 | Very low | 56.5 | Low | 85 Ų | 85 | 123.1 Ų | 123.1 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | trans | -64.9 | 124.7 | 156.1 | 53.4 | 0 | 0 | 0 | 0 | 108.4 | D331 G335 | D331-S333 PolarHBondContact O-N 3.47Å; D331-S333 VanDerWaalsContact O-N 3.11Å; S333-G335 PolarHBondContact O-N 2.82Å | ||
| 334 | E | 42.8 | Very low | 54.7 | Low | 203 Ų | 203 | 129.2 Ų | 129.2 | 95% | 0.949 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 105.3 | 174.6 | -65 | -176.3 | 168.1 | 0 | 0 | 109.7 | R332 | R332-E334 PolarHBondContact O-N 3.18Š|
| 335 | G | 48 | Very low | 52.9 | Low | 78 Ų | 78 | 131.7 Ų | 131.7 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.7 | 9.2 | 172 | 0 | 0 | 0 | 0 | 0 | 118.4 | S333 | S333-G335 PolarHBondContact O-N 2.82Š|
| 336 | A | 42.1 | Very low | 51.7 | Low | 73 Ų | 73 | 133.9 Ų | 133.9 | 60% | 0.603 | 71% | 0.712 | S | S | * | * | trans | -104.3 | 77.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E338 | A336-E338 VanDerWaalsContact C-N 3.34Š| ||
| 337 | D | 45.1 | Very low | 50.5 | Low | 137 Ų | 137 | 134.5 Ų | 134.5 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | trans | -92.2 | 72.4 | 159.5 | -66.1 | -21.3 | 0 | 0 | 0 | 106.9 | ||||
| 338 | E | 44.8 | Very low | 50 | Low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -165.6 | 119.8 | 171.3 | -109.2 | 157.3 | -145.5 | 0 | 0 | 110.3 | A336 | A336-E338 VanDerWaalsContact C-N 3.34Š|
| 339 | E | 43.4 | Very low | 49.8 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | 57.1 | 113.6 | 158.8 | -62 | -180 | 177.4 | 0 | 0 | 118.5 | N341 | E339-N341 VanDerWaalsContact C-N 3.29Å; E339-N341 PolarHBondContact O-N 3.47Å | ||
| 340 | M | 42.5 | Very low | 49.8 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 92% | 0.916 | 73% | 0.73 | S | S | * | * | trans | -57.8 | 89.5 | 164.8 | -173.2 | -175.8 | -160.8 | 0 | 0 | 109.7 | E342 | M340-E342 PolarHBondContact O-N 3.02Š| ||
| 341 | N | 37.6 | Very low | 50.6 | Low | 123 Ų | 123 | 137.8 Ų | 137.8 | 66% | 0.658 | 72% | 0.722 | S | S | * | * | trans | -72.6 | 114.7 | 169 | -163.4 | -24.2 | 0 | 0 | 0 | 108.1 | E339 D343 | E339-N341 VanDerWaalsContact C-N 3.29Å; E339-N341 PolarHBondContact O-N 3.47Å; N341-D343 PolarHBondContact O-N 3.34Å; N341-D343 VanDerWaalsContact O-N 3.11Å; N341-D343 PolarHBondContact OD1-N 2.77Å | ||
| 342 | E | 49.9 | Very low | 51.7 | Low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -64.2 | -9.3 | -178.4 | -73.8 | -171 | 144 | 0 | 0 | 113.7 | M340 L344 | M340-E342 PolarHBondContact O-N 3.02Å; E342-L344 PolarHBondContact O-N 3.27Å |
| 343 | D | 48.4 | Very low | 53.2 | Low | 138 Ų | 138 | 133.1 Ų | 133.1 | 74% | 0.738 | 70% | 0.7 | S | S | * | * | trans | -94.9 | 76 | -179.7 | -69.6 | -41.8 | 0 | 0 | 0 | 111.9 | N341 | N341-D343 PolarHBondContact O-N 3.34Å; N341-D343 VanDerWaalsContact O-N 3.11Å; N341-D343 PolarHBondContact OD1-N 2.77Å | ||
| 344 | L | 50 | Low | 54.8 | Low | 156 Ų | 156 | 135.2 Ų | 135.2 | 82% | 0.817 | 70% | 0.704 | S | S | * | * | trans | -59.9 | 124.7 | 163.9 | -88.1 | 151 | 0 | 0 | 0 | 110 | E342 D346 | E342-L344 PolarHBondContact O-N 3.27Å; L344-D346 PolarHBondContact O-N 3.11Å | ||
| 345 | P | 47 | Very low | 56.6 | Low | 114 Ų | 114 | 134.3 Ų | 134.3 | 74% | 0.74 | 70% | 0.7 | S | S | * | * | trans | -70.3 | 119.3 | 179.2 | 25.2 | -30.3 | 0 | 0 | 0 | 111.2 | E347 | P345-E347 PolarHBondContact O-N 3.44Š| ||
| 346 | D | 54.4 | Low | 58 | Low | 125 Ų | 125 | 133.4 Ų | 133.4 | 67% | 0.668 | 68% | 0.679 | S | S | * | * | trans | -63.4 | 16.5 | -179.4 | -121.7 | -30.5 | 0 | 0 | 0 | 115.2 | L344 N349 | L344-D346 PolarHBondContact O-N 3.11Å; D346-N349 PolarHBondContact O-ND2 3.44Å; D346-N349 PolarHBondContact OD1-ND2 3.33Å | ||
| 347 | E | 52.7 | Low | 60 | Low | 186 Ų | 186 | 133.6 Ų | 133.6 | 87% | 0.869 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 17.4 | -162.8 | -67.7 | -152.8 | 153.3 | 0 | 0 | 116.2 | P345 | P345-E347 PolarHBondContact O-N 3.44Š|
| 348 | K | 57 | Low | 62 | Low | 145 Ų | 145 | 129.5 Ų | 129.5 | 63% | 0.63 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | 45.5 | 164.8 | -69.8 | 179.5 | -169.1 | 161 | 0 | 110.8 | D331 L350 P362 | D331-K348 IonicContact OD1-NZ 3.44Å; K348-L350 PolarHBondContact O-N 2.87Å; K348-L350 VanDerWaalsContact O-N 3.15Å; K348-P362 HydrophobicContact CB-CB 4.07Å; K348-P362 HydrophobicContact CB-CG 4.19Å; K348-P362 HydrophobicContact CG-CB 4.46Å; K348-P362 WeakPolarHBondContact O-CG 3.22Å |
| 349 | N | 61 | Low | 64.1 | Low | 101 Ų | 101 | 123.5 Ų | 123.5 | 54% | 0.54 | 62% | 0.618 | S | S | . | * | trans | -64.3 | 116.2 | -173.2 | -98.5 | -45 | 0 | 0 | 0 | 111.3 | D346 E351 | D346-N349 PolarHBondContact O-ND2 3.44Å; D346-N349 PolarHBondContact OD1-ND2 3.33Å; N349-E351 PolarHBondContact O-N 3.42Å | ||
| 350 | L | 67.8 | Low | 66.2 | Low | 105 Ų | 105 | 116.4 Ų | 116.4 | 55% | 0.55 | 59% | 0.588 | S | S | . | * | trans | -59 | 91.3 | 159.4 | -86.4 | 131.6 | 0 | 0 | 0 | 107.6 | K348 Y352 L359 L361 | K348-L350 PolarHBondContact O-N 2.87Å; K348-L350 VanDerWaalsContact O-N 3.15Å; L350-Y352 PolarHBondContact O-N 2.81Å; L350-L359 HydrophobicContact CB-CD1 4.42Å; L350-L359 HydrophobicContact CD2-CD1 4Å; L350-L359 HydrophobicContact CD2-CD2 4.09Å; L350-L359 HydrophobicContact CD2-CG 4.26Å; L350-L361 HydrophobicContact CD2-CD2 3.98Å | ||
| 351 | E | 76.3 | Confident | 68.2 | Low | 135 Ų | 135 | 110.4 Ų | 110.4 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.9 | 111.4 | -179.6 | -171.8 | -179.6 | -166 | 0 | 0 | 108.6 | N349 T360 | N349-E351 PolarHBondContact O-N 3.42Å; E351-T360 WeakPolarHBondContact CB-OG1 3.4Å; E351-T360 PolarHBondContact N-O 3.5Å; E351-T360 PolarHBondContact O-N 3.25Å; E351-T360 PolarHBondContact O-OG1 2.95Å |
| 352 | Y | 79.6 | Confident | 70.3 | Confident | 110 Ų | 110 | 108.2 Ų | 108.2 | 43% | 0.431 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.4 | 115.8 | 170.8 | -175.2 | -109.4 | 0 | 0 | 0 | 109.2 | L350 D354 L359 | L350-Y352 PolarHBondContact O-N 2.81Å; Y352-D354 WeakPolarHBondContact CD1-OD1 3.12Å; Y352-D354 WeakPolarHBondContact CE1-OD1 3.31Å; Y352-D354 PolarHBondContact O-N 3.46Å; Y352-L359 HydrophobicContact CD2-CB 4.16Å; Y352-L359 HydrophobicContact CD2-CD1 4.21Å |
| 353 | D | 81.3 | Confident | 71.8 | Confident | 61 Ų | 61 | 104.5 Ų | 104.5 | 33% | 0.326 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 104 | 174.2 | 179.6 | 1.2 | 0 | 0 | 0 | 109.4 | E355 T356 M357 E358 | D353-E355 PolarHBondContact O-N 2.82Å; D353-E355 WeakPolarHBondContact OD1-CB 3.35Å; D353-E355 PolarHBondContact OD1-N 3.47Å; D353-T356 WeakPolarHBondContact CB-OG1 3.43Å; D353-T356 PolarHBondContact O-N 3.45Å; D353-T356 PolarHBondContact OD1-N 2.89Å; D353-T356 VanDerWaalsContact OD2-CB 3.31Å; D353-T356 WeakPolarHBondContact OD2-CB 3.35Å; D353-T356 WeakPolarHBondContact OD2-CG2 3.24Å; D353-T356 PolarHBondContact OD2-OG1 3.47Å; D353-M357 VanDerWaalsContact O-CA 3.24Å; D353-M357 WeakPolarHBondContact O-CA 3.26Å; D353-M357 PolarHBondContact O-N 3.47Å; D353-E358 PolarHBondContact N-O 3.46Å; D353-E358 PolarHBondContact O-N 2.91Å |
| 354 | D | 79 | Confident | 73.3 | Confident | 129 Ų | 129 | 101 Ų | 101 | 69% | 0.69 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -28.1 | 177.6 | -81.6 | -23 | 0 | 0 | 0 | 112.6 | Y352 | Y352-D354 WeakPolarHBondContact CD1-OD1 3.12Å; Y352-D354 WeakPolarHBondContact CE1-OD1 3.31Å; Y352-D354 PolarHBondContact O-N 3.46Å |
| 355 | E | 80.4 | Confident | 75.1 | Confident | 183 Ų | 183 | 95.8 Ų | 95.8 | 86% | 0.855 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -44.4 | -177.4 | -62.7 | -170.5 | 170 | 0 | 0 | 112 | D353 | D353-E355 PolarHBondContact O-N 2.82Å; D353-E355 WeakPolarHBondContact OD1-CB 3.35Å; D353-E355 PolarHBondContact OD1-N 3.47Å |
| 356 | T | 77.9 | Confident | 77.1 | Confident | 60 Ų | 60 | 97.2 Ų | 97.2 | 37% | 0.368 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -9.3 | 178.5 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | D353 E358 | D353-T356 WeakPolarHBondContact CB-OG1 3.43Å; D353-T356 PolarHBondContact O-N 3.45Å; D353-T356 PolarHBondContact OD1-N 2.89Å; D353-T356 VanDerWaalsContact OD2-CB 3.31Å; D353-T356 WeakPolarHBondContact OD2-CB 3.35Å; D353-T356 WeakPolarHBondContact OD2-CG2 3.24Å; D353-T356 PolarHBondContact OD2-OG1 3.47Å; T356-E358 PolarHBondContact O-N 3.37Å |
| 357 | M | 83 | Confident | 78.8 | Confident | 77 Ų | 77 | 94.8 Ų | 94.8 | 38% | 0.379 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 36.2 | -171.9 | -52.7 | -176.8 | -164.1 | 0 | 0 | 111.9 | D353 H369 L372 | D353-M357 VanDerWaalsContact O-CA 3.24Å; D353-M357 WeakPolarHBondContact O-CA 3.26Å; D353-M357 PolarHBondContact O-N 3.47Å; M357-H369 HydrophobicContact CB-CB 3.76Å; M357-H369 WeakPolarHBondContact O-CB 3.38Å; M357-H369 PolarHBondContact O-N 3.47Å; M357-L372 HydrophobicContact CB-CD1 4.31Å |
| 358 | E | 87.4 | Confident | 80.6 | Confident | 50 Ų | 50 | 87.6 Ų | 87.6 | 23% | 0.234 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134.8 | 177.4 | -63.9 | -174.9 | 172.5 | 0 | 0 | 109.8 | D353 T356 K366 | D353-E358 PolarHBondContact N-O 3.46Å; D353-E358 PolarHBondContact O-N 2.91Å; T356-E358 PolarHBondContact O-N 3.37Å; E358-K366 IonicContact OE2-NZ 2.91Å; E358-K366 PolarHBondContact OE2-NZ 3.01Å |
| 359 | L | 89.3 | Confident | 82.2 | Confident | 49 Ų | 49 | 84 Ų | 84 | 26% | 0.257 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 122.2 | 171.3 | 179.6 | 67.8 | 0 | 0 | 0 | 108.8 | L350 Y352 K366 V367 | L350-L359 HydrophobicContact CB-CD1 4.42Å; L350-L359 HydrophobicContact CD2-CD1 4Å; L350-L359 HydrophobicContact CD2-CD2 4.09Å; L350-L359 HydrophobicContact CD2-CG 4.26Å; Y352-L359 HydrophobicContact CD2-CB 4.16Å; Y352-L359 HydrophobicContact CD2-CD1 4.21Å; L359-K366 CarbonylContact O-C 3.57Å; L359-K366 WeakPolarHBondContact O-CA 3.41Å; L359-V367 HydrophobicContact CB-CB 4.31Å; L359-V367 PolarHBondContact N-O 3.07Å; L359-V367 PolarHBondContact O-N 2.94Å |
| 360 | T | 86.8 | Confident | 83.6 | Confident | 35 Ų | 35 | 88.5 Ų | 88.5 | 22% | 0.215 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 125.4 | 172.4 | 69 | 0 | 0 | 0 | 0 | 109.6 | E351 K366 | E351-T360 WeakPolarHBondContact CB-OG1 3.4Å; E351-T360 PolarHBondContact N-O 3.5Å; E351-T360 PolarHBondContact O-N 3.25Å; E351-T360 PolarHBondContact O-OG1 2.95Å; T360-K366 HydrophobicContact CG2-CG 4.21Å |
| 361 | L | 85.7 | Confident | 84.7 | Confident | 60 Ų | 60 | 86.8 Ų | 86.8 | 31% | 0.314 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 155.8 | 178 | -70.1 | 160.2 | 0 | 0 | 0 | 109.9 | L350 S363 G364 A365 V367 | L350-L361 HydrophobicContact CD2-CD2 3.98Å; L361-S363 WeakPolarHBondContact CB-OG 3.31Å; L361-S363 PolarHBondContact O-N 3.18Å; L361-G364 WeakPolarHBondContact O-CA 3.44Å; L361-G364 PolarHBondContact O-N 3.41Å; L361-A365 HydrophobicContact CB-CB 4.48Å; L361-A365 WeakPolarHBondContact CB-O 3.42Å; L361-A365 HydrophobicContact CD1-CB 3.98Å; L361-A365 PolarHBondContact N-O 2.98Å; L361-V367 HydrophobicContact CD1-CG2 3.61Å; L361-V367 HydrophobicContact CG-CG2 4.22Å |
| 362 | P | 80.4 | Confident | 85.3 | Confident | 76 Ų | 76 | 82.4 Ų | 82.4 | 49% | 0.494 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -19.8 | 172.6 | -25.2 | 35.6 | 0 | 0 | 0 | 113.7 | K348 G364 | K348-P362 HydrophobicContact CB-CB 4.07Å; K348-P362 HydrophobicContact CB-CG 4.19Å; K348-P362 HydrophobicContact CG-CB 4.46Å; K348-P362 WeakPolarHBondContact O-CG 3.22Å; P362-G364 PolarHBondContact O-N 3.04Å |
| 363 | S | 82.4 | Confident | 85.7 | Confident | 99 Ų | 99 | 82 Ų | 82 | 69% | 0.692 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -1.7 | 171.4 | 60.7 | 0 | 0 | 0 | 0 | 114 | L361 A365 | L361-S363 WeakPolarHBondContact CB-OG 3.31Å; L361-S363 PolarHBondContact O-N 3.18Å; S363-A365 PolarHBondContact O-N 3.33Å |
| 364 | G | 80.1 | Confident | 86 | Confident | 64 Ų | 64 | 89.5 Ų | 89.5 | 66% | 0.66 | 48% | 0.48 | S | S | * | . | S | Bend | trans | 78.6 | -0.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L361 P362 | L361-G364 WeakPolarHBondContact O-CA 3.44Å; L361-G364 PolarHBondContact O-N 3.41Å; P362-G364 PolarHBondContact O-N 3.04Å |
| 365 | A | 87.6 | Confident | 86.4 | Confident | 47 Ų | 47 | 90.5 Ų | 90.5 | 39% | 0.388 | 48% | 0.475 | S | S | . | . | trans | -76.9 | 136.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L361 S363 | L361-A365 HydrophobicContact CB-CB 4.48Å; L361-A365 WeakPolarHBondContact CB-O 3.42Å; L361-A365 HydrophobicContact CD1-CB 3.98Å; L361-A365 PolarHBondContact N-O 2.98Å; S363-A365 PolarHBondContact O-N 3.33Å | ||
| 366 | K | 88.6 | Confident | 86.8 | Confident | 145 Ų | 145 | 86.9 Ų | 86.9 | 63% | 0.63 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125.3 | 176.3 | -60 | -166.2 | 166.3 | -159.5 | 0 | 111.3 | E358 L359 T360 | E358-K366 IonicContact OE2-NZ 2.91Å; E358-K366 PolarHBondContact OE2-NZ 3.01Å; L359-K366 CarbonylContact O-C 3.57Å; L359-K366 WeakPolarHBondContact O-CA 3.41Å; T360-K366 HydrophobicContact CG2-CG 4.21Å |
| 367 | V | 90.2 | Very high | 87.2 | Confident | 74 Ų | 74 | 93.6 Ų | 93.6 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 113.9 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 109 | L359 L361 | L359-V367 HydrophobicContact CB-CB 4.31Å; L359-V367 PolarHBondContact N-O 3.07Å; L359-V367 PolarHBondContact O-N 2.94Å; L361-V367 HydrophobicContact CD1-CG2 3.61Å; L361-V367 HydrophobicContact CG-CG2 4.22Å |
| 368 | G | 90.5 | Very high | 87.5 | Confident | 35 Ų | 35 | 94.3 Ų | 94.3 | 36% | 0.361 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 153.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y376 | G368-Y376 VanDerWaalsContact CA-OH 3.26Å; G368-Y376 WeakPolarHBondContact CA-OH 3.48Å |
| 369 | H | 90.8 | Very high | 87.2 | Confident | 69 Ų | 69 | 103.3 Ų | 103.3 | 32% | 0.319 | 51% | 0.507 | S | S | . | . | trans | -72.4 | 145.1 | 179.4 | -172.7 | -101.5 | 0 | 0 | 0 | 113.5 | M357 S371 L372 | M357-H369 HydrophobicContact CB-CB 3.76Å; M357-H369 WeakPolarHBondContact O-CB 3.38Å; M357-H369 PolarHBondContact O-N 3.47Å; H369-S371 WeakPolarHBondContact ND1-CB 3.32Å; H369-S371 PolarHBondContact ND1-N 2.88Å; H369-S371 PolarHBondContact ND1-OG 3.48Å; H369-S371 PolarHBondContact O-N 3.3Å; H369-S371 VanDerWaalsContact O-N 3.11Å; H369-L372 PolarHBondContact O-N 3.05Å | ||
| 370 | R | 90 | Very high | 86.5 | Confident | 196 Ų | 196 | 108.7 Ų | 108.7 | 74% | 0.74 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -58.8 | -28 | -175.6 | 74.4 | -175.3 | 101.1 | -140.6 | 5.4 | 114.2 | L372 M373 | R370-L372 PolarHBondContact O-N 3.31Å; R370-M373 HydrophobicContact CB-CE 4.47Å; R370-M373 WeakPolarHBondContact O-CB 3.31Å; R370-M373 VanDerWaalsContact O-CG 3.31Å; R370-M373 WeakPolarHBondContact O-CG 3.42Å; R370-M373 PolarHBondContact O-N 3.02Å |
| 371 | S | 90.3 | Very high | 85.5 | Confident | 68 Ų | 68 | 110 Ų | 110 | 48% | 0.476 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -64.3 | -28.6 | 177.9 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | H369 | H369-S371 WeakPolarHBondContact ND1-CB 3.32Å; H369-S371 PolarHBondContact ND1-N 2.88Å; H369-S371 PolarHBondContact ND1-OG 3.48Å; H369-S371 PolarHBondContact O-N 3.3Å; H369-S371 VanDerWaalsContact O-N 3.11Å |
| 372 | L | 89.5 | Confident | 84.4 | Confident | 43 Ų | 43 | 113.7 Ų | 113.7 | 23% | 0.225 | 57% | 0.574 | C | S | . | * | G | 310 helix | trans | -91.5 | 4.8 | -176.6 | -60.1 | 175.2 | 0 | 0 | 0 | 112.9 | M357 H369 R370 R374 Y375 Y376 | M357-L372 HydrophobicContact CB-CD1 4.31Å; H369-L372 PolarHBondContact O-N 3.05Å; R370-L372 PolarHBondContact O-N 3.31Å; L372-R374 PolarHBondContact O-N 3.09Å; L372-Y375 HydrophobicContact CB-CD2 4.14Å; L372-Y375 HydrophobicContact CD2-CD2 3.61Å; L372-Y375 HydrophobicContact CD2-CE2 3.75Å; L372-Y375 HydrophobicContact CG-CD2 4.5Å; L372-Y375 WeakPolarHBondContact O-CA 3.42Å; L372-Y375 WeakPolarHBondContact O-CB 3.41Å; L372-Y375 PolarHBondContact O-N 3.05Å; L372-Y376 HydrophobicContact CB-CD2 4.13Å; L372-Y376 HydrophobicContact CB-CE1 4.25Å; L372-Y376 HydrophobicContact CB-CE2 3.5Å; L372-Y376 WeakPolarHBondContact CD1-OH 3.28Å; L372-Y376 WeakPolarHBondContact O-CD2 3.47Å; L372-Y376 PolarHBondContact O-N 3.17Å |
| 373 | M | 87.4 | Confident | 83.1 | Confident | 103 Ų | 103 | 119.1 Ų | 119.1 | 51% | 0.507 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -52.7 | -32.8 | 179.3 | -84.1 | -172.1 | 173.1 | 0 | 0 | 114 | R370 Y375 R377 | R370-M373 HydrophobicContact CB-CE 4.47Å; R370-M373 WeakPolarHBondContact O-CB 3.31Å; R370-M373 VanDerWaalsContact O-CG 3.31Å; R370-M373 WeakPolarHBondContact O-CG 3.42Å; R370-M373 PolarHBondContact O-N 3.02Å; M373-Y375 VanDerWaalsContact C-N 3.3Å; M373-Y375 PolarHBondContact O-N 2.87Å; M373-R377 WeakPolarHBondContact O-CB 3.35Å; M373-R377 VanDerWaalsContact O-CG 3.28Å; M373-R377 WeakPolarHBondContact O-CG 3.46Å; M373-R377 PolarHBondContact O-N 3.43Å |
| 374 | R | 88.8 | Confident | 81.9 | Confident | 218 Ų | 218 | 125.5 Ų | 125.5 | 82% | 0.823 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.3 | -40.1 | 176.3 | -69.9 | -176 | 179.1 | -172 | 0.7 | 111.6 | L372 Q378 | L372-R374 PolarHBondContact O-N 3.09Å; R374-Q378 PolarHBondContact O-N 3.21Å |
| 375 | Y | 86.9 | Confident | 80.7 | Confident | 150 Ų | 150 | 126.3 Ų | 126.3 | 59% | 0.588 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.2 | -40.8 | 179.1 | -51.4 | -66.1 | 0 | 0 | 0 | 111.3 | L372 M373 R377 Q378 | L372-Y375 HydrophobicContact CB-CD2 4.14Å; L372-Y375 HydrophobicContact CD2-CD2 3.61Å; L372-Y375 HydrophobicContact CD2-CE2 3.75Å; L372-Y375 HydrophobicContact CG-CD2 4.5Å; L372-Y375 WeakPolarHBondContact O-CA 3.42Å; L372-Y375 WeakPolarHBondContact O-CB 3.41Å; L372-Y375 PolarHBondContact O-N 3.05Å; M373-Y375 VanDerWaalsContact C-N 3.3Å; M373-Y375 PolarHBondContact O-N 2.87Å; Y375-R377 PolarHBondContact O-N 3.38Å; Y375-Q378 WeakPolarHBondContact O-CB 3.18Å; Y375-Q378 PolarHBondContact O-N 3.14Å |
| 376 | Y | 88 | Confident | 79 | Confident | 107 Ų | 107 | 130.4 Ų | 130.4 | 42% | 0.42 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.2 | -30 | 176.2 | -57.9 | -38.2 | 0 | 0 | 0 | 113.2 | G368 L372 Q378 | G368-Y376 VanDerWaalsContact CA-OH 3.26Å; G368-Y376 WeakPolarHBondContact CA-OH 3.48Å; L372-Y376 HydrophobicContact CB-CD2 4.13Å; L372-Y376 HydrophobicContact CB-CE1 4.25Å; L372-Y376 HydrophobicContact CB-CE2 3.5Å; L372-Y376 WeakPolarHBondContact CD1-OH 3.28Å; L372-Y376 WeakPolarHBondContact O-CD2 3.47Å; L372-Y376 PolarHBondContact O-N 3.17Å; Y376-Q378 VanDerWaalsContact C-N 3.32Å |
| 377 | R | 88 | Confident | 77.4 | Confident | 200 Ų | 200 | 129.3 Ų | 129.3 | 76% | 0.755 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -11.2 | 172.8 | -70 | 179.7 | 175.9 | -166.4 | -0.4 | 113.2 | M373 Y375 R379 | M373-R377 WeakPolarHBondContact O-CB 3.35Å; M373-R377 VanDerWaalsContact O-CG 3.28Å; M373-R377 WeakPolarHBondContact O-CG 3.46Å; M373-R377 PolarHBondContact O-N 3.43Å; Y375-R377 PolarHBondContact O-N 3.38Å; R377-R379 PolarHBondContact O-N 3.21Å; R377-R379 VanDerWaalsContact O-N 3.09Å |
| 378 | Q | 88.8 | Confident | 75.4 | Confident | 92 Ų | 92 | 130.8 Ų | 130.8 | 43% | 0.43 | 64% | 0.638 | S | S | . | * | trans | -74.2 | 103 | -178.9 | -168.6 | 169 | 9.2 | 0 | 0 | 109.7 | R374 Y375 Y376 F380 | R374-Q378 PolarHBondContact O-N 3.21Å; Y375-Q378 WeakPolarHBondContact O-CB 3.18Å; Y375-Q378 PolarHBondContact O-N 3.14Å; Y376-Q378 VanDerWaalsContact C-N 3.32Å; Q378-F380 HydrophobicContact CB-CE2 4.31Å; Q378-F380 VanDerWaalsContact CD-CE1 3.46Å; Q378-F380 HydrophobicContact CG-CD1 4.33Å; Q378-F380 HydrophobicContact CG-CD2 4.21Å; Q378-F380 HydrophobicContact CG-CE1 3.97Å; Q378-F380 HydrophobicContact CG-CE2 3.81Å; Q378-F380 HydrophobicContact CG-CG 4.47Å; Q378-F380 HydrophobicContact CG-CZ 3.7Å; Q378-F380 PolarHBondContact O-N 3.06Å; Q378-F380 VanDerWaalsContact OE1-CZ 3.29Å | ||
| 379 | R | 81.4 | Confident | 73.6 | Confident | 239 Ų | 239 | 132.5 Ų | 132.5 | 90% | 0.902 | 66% | 0.656 | S | S | * | * | trans | -83.8 | 95.6 | 169.2 | -66.5 | -178.8 | 171.7 | -147 | -3 | 108.3 | R377 G381 | R377-R379 PolarHBondContact O-N 3.21Å; R377-R379 VanDerWaalsContact O-N 3.09Å; R379-G381 PolarHBondContact O-N 3.24Å | ||
| 380 | F | 73.9 | Confident | 72 | Confident | 163 Ų | 163 | 141 Ų | 141 | 72% | 0.715 | 69% | 0.685 | S | S | * | * | trans | -67.1 | 105.1 | 160.9 | -59.3 | -77.7 | 0 | 0 | 0 | 106.6 | Q378 | Q378-F380 HydrophobicContact CB-CE2 4.31Å; Q378-F380 VanDerWaalsContact CD-CE1 3.46Å; Q378-F380 HydrophobicContact CG-CD1 4.33Å; Q378-F380 HydrophobicContact CG-CD2 4.21Å; Q378-F380 HydrophobicContact CG-CE1 3.97Å; Q378-F380 HydrophobicContact CG-CE2 3.81Å; Q378-F380 HydrophobicContact CG-CG 4.47Å; Q378-F380 HydrophobicContact CG-CZ 3.7Å; Q378-F380 PolarHBondContact O-N 3.06Å; Q378-F380 VanDerWaalsContact OE1-CZ 3.29Å | ||
| 381 | G | 66.1 | Low | 70.3 | Confident | 61 Ų | 61 | 135.3 Ų | 135.3 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | trans | -52.2 | 145.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | R379 Q383 | R379-G381 PolarHBondContact O-N 3.24Å; G381-Q383 PolarHBondContact O-N 3.08Å; G381-Q383 VanDerWaalsContact O-N 3.08Å | ||
| 382 | T | 62.4 | Low | 68.8 | Low | 138 Ų | 138 | 135 Ų | 135 | 85% | 0.847 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -32.2 | 118.9 | 174.5 | 46.9 | 0 | 0 | 0 | 0 | 109.5 | R384 | T382-R384 PolarHBondContact O-N 2.82Š|
| 383 | Q | 54.1 | Low | 67.4 | Low | 190 Ų | 190 | 139 Ų | 139 | 89% | 0.888 | 70% | 0.704 | S | S | * | * | trans | -39.5 | 101.9 | -166.6 | -69.1 | -144.7 | -11.2 | 0 | 0 | 110.6 | G381 A385 | G381-Q383 PolarHBondContact O-N 3.08Å; G381-Q383 VanDerWaalsContact O-N 3.08Å; Q383-A385 PolarHBondContact O-N 2.74Å | ||
| 384 | R | 55.5 | Low | 66.1 | Low | 233 Ų | 233 | 136.2 Ų | 136.2 | 88% | 0.879 | 70% | 0.697 | S | S | * | * | trans | -65.7 | 97.3 | 163.5 | -96.9 | -179.9 | 164 | 173.7 | -3.7 | 102.7 | T382 V386 | T382-R384 PolarHBondContact O-N 2.82Å; R384-V386 VanDerWaalsContact C-N 3.35Å; R384-V386 PolarHBondContact O-N 2.85Å | ||
| 385 | A | 55.1 | Low | 64.7 | Low | 81 Ų | 81 | 130.6 Ų | 130.6 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | trans | -44.8 | 111.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | Q383 V387 | Q383-A385 PolarHBondContact O-N 2.74Å; A385-V387 PolarHBondContact O-N 2.71Å | ||
| 386 | V | 52.8 | Low | 63.5 | Low | 134 Ų | 134 | 124.7 Ų | 124.7 | 81% | 0.812 | 67% | 0.672 | S | S | * | * | trans | -67.5 | 86.1 | 177.3 | -179.5 | 0 | 0 | 0 | 0 | 104.3 | R384 P388 | R384-V386 VanDerWaalsContact C-N 3.35Å; R384-V386 PolarHBondContact O-N 2.85Å; V386-P388 WeakPolarHBondContact O-CD 3.19Å; V386-P388 VanDerWaalsContact O-N 3.08Å | ||
| 387 | V | 54.2 | Low | 62.4 | Low | 122 Ų | 122 | 127.8 Ų | 127.8 | 74% | 0.739 | 68% | 0.683 | S | S | * | * | trans | -58 | 115 | 162.9 | 179.3 | 0 | 0 | 0 | 0 | 103.1 | A385 G389 | A385-V387 PolarHBondContact O-N 2.71Å; V387-G389 PolarHBondContact O-N 3.46Å | ||
| 388 | P | 49.5 | Very low | 61.3 | Low | 105 Ų | 105 | 121.5 Ų | 121.5 | 68% | 0.682 | 67% | 0.666 | S | S | * | * | trans | -58.1 | 112 | 177.6 | -16.1 | 28.2 | 0 | 0 | 0 | 105.5 | V386 R390 | V386-P388 WeakPolarHBondContact O-CD 3.19Å; V386-P388 VanDerWaalsContact O-N 3.08Å; P388-R390 PolarHBondContact O-N 2.84Å | ||
| 389 | G | 51.3 | Low | 59.9 | Low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | trans | -55.2 | 109.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | V387 S391 | V387-G389 PolarHBondContact O-N 3.46Å; G389-S391 VanDerWaalsContact C-N 3.35Å; G389-S391 PolarHBondContact O-N 3.41Å | ||
| 390 | R | 57.4 | Low | 59 | Low | 247 Ų | 247 | 120 Ų | 120 | 93% | 0.932 | 67% | 0.665 | S | S | * | * | trans | -56.6 | 103.9 | -178.5 | -77.1 | -179.3 | 171.2 | -163.3 | -2.1 | 107.1 | P388 G392 | P388-R390 PolarHBondContact O-N 2.84Å; R390-G392 PolarHBondContact O-N 3.24Å | ||
| 391 | S | 55.5 | Low | 58.4 | Low | 78 Ų | 78 | 117.9 Ų | 117.9 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | trans | -68.7 | 78.8 | 174.3 | 173.9 | 0 | 0 | 0 | 0 | 108.2 | G389 N393 A394 | G389-S391 VanDerWaalsContact C-N 3.35Å; G389-S391 PolarHBondContact O-N 3.41Å; S391-N393 PolarHBondContact O-N 2.86Å; S391-A394 PolarHBondContact O-N 3.35Å; S391-A394 VanDerWaalsContact OG-CB 3.23Å; S391-A394 WeakPolarHBondContact OG-CB 3.45Å; S391-A394 PolarHBondContact OG-N 2.78Å | ||
| 392 | G | 59 | Low | 57.9 | Low | 60 Ų | 60 | 120.7 Ų | 120.7 | 62% | 0.619 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.1 | -15.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R390 | R390-G392 PolarHBondContact O-N 3.24Å |
| 393 | N | 59.2 | Low | 57.7 | Low | 128 Ų | 128 | 122.3 Ų | 122.3 | 68% | 0.684 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -100.5 | -11.4 | -173.8 | -62.4 | -11.3 | 0 | 0 | 0 | 113.7 | S391 R397 | S391-N393 PolarHBondContact O-N 2.86Å; N393-R397 PolarHBondContact O-N 3.42Å |
| 394 | A | 60 | Low | 58 | Low | 44 Ų | 44 | 117.5 Ų | 117.5 | 36% | 0.364 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -72.4 | -46.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S391 G396 R397 V398 | S391-A394 PolarHBondContact O-N 3.35Å; S391-A394 VanDerWaalsContact OG-CB 3.23Å; S391-A394 WeakPolarHBondContact OG-CB 3.45Å; S391-A394 PolarHBondContact OG-N 2.78Å; A394-G396 VanDerWaalsContact C-N 3.32Å; A394-G396 PolarHBondContact O-N 2.78Å; A394-R397 PolarHBondContact O-N 3.2Å; A394-R397 VanDerWaalsContact O-N 3.09Å; A394-V398 WeakPolarHBondContact O-CG2 3.28Å; A394-V398 PolarHBondContact O-N 3.37Å |
| 395 | V | 60.4 | Low | 58.4 | Low | 101 Ų | 101 | 113 Ų | 113 | 61% | 0.612 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -61.4 | -42 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 110.8 | R397 V398 L399 | V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.04Å; V395-V398 PolarHBondContact O-N 2.68Å; V395-L399 WeakPolarHBondContact O-CB 3.27Å; V395-L399 PolarHBondContact O-N 2.84Å |
| 396 | G | 61 | Low | 58.3 | Low | 26 Ų | 26 | 112.1 Ų | 112.1 | 27% | 0.268 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.5 | -18 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | A394 R400 | A394-G396 VanDerWaalsContact C-N 3.32Å; A394-G396 PolarHBondContact O-N 2.78Å; G396-R400 PolarHBondContact O-NE 2.9Å |
| 397 | R | 64.9 | Low | 58.5 | Low | 172 Ų | 172 | 114.3 Ų | 114.3 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -84.1 | -43.9 | 174.9 | -155.5 | -177.3 | -59.4 | -178.6 | 0 | 110.4 | N393 A394 V395 R400 Q401 | N393-R397 PolarHBondContact O-N 3.42Å; A394-R397 PolarHBondContact O-N 3.2Å; A394-R397 VanDerWaalsContact O-N 3.09Å; V395-R397 VanDerWaalsContact C-N 3.26Å; V395-R397 PolarHBondContact O-N 3.04Å; R397-R400 PolarHBondContact O-N 3.31Å; R397-Q401 PolarHBondContact O-N 3.5Å; R397-Q401 VanDerWaalsContact O-N 3.1Å |
| 398 | V | 64.6 | Low | 58.3 | Low | 67 Ų | 67 | 112.5 Ų | 112.5 | 41% | 0.406 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -61.6 | -45.6 | 173.7 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | A394 V395 R400 Q401 Y402 | A394-V398 WeakPolarHBondContact O-CG2 3.28Å; A394-V398 PolarHBondContact O-N 3.37Å; V395-V398 PolarHBondContact O-N 2.68Å; V398-R400 VanDerWaalsContact C-N 3.31Å; V398-R400 PolarHBondContact O-N 3.01Å; V398-Q401 WeakPolarHBondContact O-CB 3.36Å; V398-Q401 PolarHBondContact O-N 3.34Å; V398-Q401 VanDerWaalsContact O-N 3.15Å; V398-Y402 HydrophobicContact CG1-CD2 3.61Å; V398-Y402 HydrophobicContact CG1-CE2 3.37Å; V398-Y402 WeakPolarHBondContact O-CD2 3.42Å; V398-Y402 PolarHBondContact O-N 3.3Å |
| 399 | L | 59 | Low | 58.5 | Low | 116 Ų | 116 | 110.1 Ų | 110.1 | 61% | 0.607 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.7 | -33.3 | 178.3 | -132.8 | 75.6 | 0 | 0 | 0 | 113.2 | V395 K403 | V395-L399 WeakPolarHBondContact O-CB 3.27Å; V395-L399 PolarHBondContact O-N 2.84Å; L399-K403 WeakPolarHBondContact O-CB 3.23Å; L399-K403 PolarHBondContact O-N 3.44Å |
| 400 | R | 62 | Low | 58.5 | Low | 184 Ų | 184 | 112.4 Ų | 112.4 | 69% | 0.694 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -70 | -37.2 | 174.8 | -88.4 | -178.5 | -89.8 | -144.1 | -1.3 | 112 | G396 R397 V398 K403 A404 | G396-R400 PolarHBondContact O-NE 2.9Å; R397-R400 PolarHBondContact O-N 3.31Å; V398-R400 VanDerWaalsContact C-N 3.31Å; V398-R400 PolarHBondContact O-N 3.01Å; R400-K403 PolarHBondContact O-N 3.48Å; R400-A404 WeakPolarHBondContact O-CB 3.37Å; R400-A404 PolarHBondContact O-N 3.43Å |
| 401 | Q | 62.5 | Low | 58.3 | Low | 119 Ų | 119 | 105.6 Ų | 105.6 | 56% | 0.556 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.8 | -44.5 | 173.2 | -76.2 | 173.3 | -46.9 | 0 | 0 | 111.6 | R397 V398 K403 A404 L405 | R397-Q401 PolarHBondContact O-N 3.5Å; R397-Q401 VanDerWaalsContact O-N 3.1Å; V398-Q401 WeakPolarHBondContact O-CB 3.36Å; V398-Q401 PolarHBondContact O-N 3.34Å; V398-Q401 VanDerWaalsContact O-N 3.15Å; Q401-K403 VanDerWaalsContact C-N 3.33Å; Q401-K403 PolarHBondContact O-N 3.15Å; Q401-A404 PolarHBondContact O-N 3.48Å; Q401-L405 WeakPolarHBondContact O-CB 3.42Å; Q401-L405 WeakPolarHBondContact O-CD1 3.46Å; Q401-L405 VanDerWaalsContact O-CG 3.27Å; Q401-L405 WeakPolarHBondContact O-CG 3.37Å; Q401-L405 PolarHBondContact O-N 3.11Å |
| 402 | Y | 55.8 | Low | 58 | Low | 120 Ų | 120 | 103.4 Ų | 103.4 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.5 | -36.3 | 175.1 | -79.2 | -72.8 | 0 | 0 | 0 | 113 | V398 L405 W407 | V398-Y402 HydrophobicContact CG1-CD2 3.61Å; V398-Y402 HydrophobicContact CG1-CE2 3.37Å; V398-Y402 WeakPolarHBondContact O-CD2 3.42Å; V398-Y402 PolarHBondContact O-N 3.3Å; Y402-L405 PolarHBondContact O-N 3.21Å; Y402-W407 AromaticContact CD1-CE3 3.85Å; Y402-W407 HydrophobicContact CD1-CE3 3.85Å; Y402-W407 HydrophobicContact CD1-CZ3 4.35Å; Y402-W407 HydrophobicContact CE1-CE3 4.23Å; Y402-W407 HydrophobicContact CE1-CZ3 4.27Å; Y402-W407 VanDerWaalsContact O-CB 3.23Å; Y402-W407 WeakPolarHBondContact O-CB 3.35Å; Y402-W407 PolarHBondContact O-N 3.09Å; Y402-W407 VanDerWaalsContact O-N 3.15Å |
| 403 | K | 58.7 | Low | 57.9 | Low | 171 Ų | 171 | 103.5 Ų | 103.5 | 74% | 0.743 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.4 | -34.5 | 176.4 | -154 | 171.9 | -169.8 | 178.3 | 0 | 112.7 | L399 R400 Q401 L405 G406 | L399-K403 WeakPolarHBondContact O-CB 3.23Å; L399-K403 PolarHBondContact O-N 3.44Å; R400-K403 PolarHBondContact O-N 3.48Å; Q401-K403 VanDerWaalsContact C-N 3.33Å; Q401-K403 PolarHBondContact O-N 3.15Å; K403-L405 VanDerWaalsContact C-N 3.32Å; K403-G406 PolarHBondContact O-N 3.03Å |
| 404 | A | 59.7 | Low | 57.8 | Low | 89 Ų | 89 | 100.3 Ų | 100.3 | 74% | 0.736 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.2 | -27.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R400 Q401 G406 | R400-A404 WeakPolarHBondContact O-CB 3.37Å; R400-A404 PolarHBondContact O-N 3.43Å; Q401-A404 PolarHBondContact O-N 3.48Å; A404-G406 PolarHBondContact O-N 3.39Å |
| 405 | L | 64.6 | Low | 57.8 | Low | 138 Ų | 138 | 102.2 Ų | 102.2 | 72% | 0.723 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 12.5 | 174.2 | -70.7 | 161.3 | 0 | 0 | 0 | 113.3 | Q401 Y402 K403 W407 | Q401-L405 WeakPolarHBondContact O-CB 3.42Å; Q401-L405 WeakPolarHBondContact O-CD1 3.46Å; Q401-L405 VanDerWaalsContact O-CG 3.27Å; Q401-L405 WeakPolarHBondContact O-CG 3.37Å; Q401-L405 PolarHBondContact O-N 3.11Å; Y402-L405 PolarHBondContact O-N 3.21Å; K403-L405 VanDerWaalsContact C-N 3.32Å; L405-W407 VanDerWaalsContact C-N 3.31Å; L405-W407 PolarHBondContact O-N 3.45Å |
| 406 | G | 53.2 | Low | 58.1 | Low | 64 Ų | 64 | 103.8 Ų | 103.8 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.6 | 9 | 176 | 0 | 0 | 0 | 0 | 0 | 114.9 | K403 A404 A408 | K403-G406 PolarHBondContact O-N 3.03Å; A404-G406 PolarHBondContact O-N 3.39Å; G406-A408 VanDerWaalsContact C-N 3.27Å; G406-A408 PolarHBondContact O-N 3.31Å |
| 407 | W | 55.3 | Low | 58.5 | Low | 180 Ų | 180 | 108.4 Ų | 108.4 | 68% | 0.682 | 61% | 0.608 | S | S | * | * | trans | -76.8 | 79.8 | 174.6 | -152.1 | -43.5 | 0 | 0 | 0 | 110.2 | Y402 L405 G409 | Y402-W407 AromaticContact CD1-CE3 3.85Å; Y402-W407 HydrophobicContact CD1-CE3 3.85Å; Y402-W407 HydrophobicContact CD1-CZ3 4.35Å; Y402-W407 HydrophobicContact CE1-CE3 4.23Å; Y402-W407 HydrophobicContact CE1-CZ3 4.27Å; Y402-W407 VanDerWaalsContact O-CB 3.23Å; Y402-W407 WeakPolarHBondContact O-CB 3.35Å; Y402-W407 PolarHBondContact O-N 3.09Å; Y402-W407 VanDerWaalsContact O-N 3.15Å; L405-W407 VanDerWaalsContact C-N 3.31Å; L405-W407 PolarHBondContact O-N 3.45Å; W407-G409 VanDerWaalsContact C-N 3.29Å; W407-G409 PolarHBondContact O-N 3.37Å; W407-G409 VanDerWaalsContact O-N 3.11Å | ||
| 408 | A | 51.7 | Low | 58.8 | Low | 83 Ų | 83 | 108.8 Ų | 108.8 | 69% | 0.686 | 61% | 0.61 | S | S | * | * | trans | -77.5 | 84.9 | 163 | 0 | 0 | 0 | 0 | 0 | 107.7 | G406 D410 | G406-A408 VanDerWaalsContact C-N 3.27Å; G406-A408 PolarHBondContact O-N 3.31Å; A408-D410 PolarHBondContact O-N 3.3Å; A408-D410 VanDerWaalsContact O-N 3.11Å | ||
| 409 | G | 53.3 | Low | 59.4 | Low | 55 Ų | 55 | 111.1 Ų | 111.1 | 57% | 0.567 | 62% | 0.616 | S | S | * | * | trans | -54.8 | 120 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | W407 A411 | W407-G409 VanDerWaalsContact C-N 3.29Å; W407-G409 PolarHBondContact O-N 3.37Å; W407-G409 VanDerWaalsContact O-N 3.11Å; G409-A411 PolarHBondContact O-N 2.97Å; G409-A411 VanDerWaalsContact O-N 3.12Å | ||
| 410 | D | 50.3 | Low | 60.4 | Low | 119 Ų | 119 | 113.9 Ų | 113.9 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | trans | 14.6 | 79.8 | 173.5 | -165.9 | 32.8 | 0 | 0 | 0 | 114.5 | A408 G412 S414 | A408-D410 PolarHBondContact O-N 3.3Å; A408-D410 VanDerWaalsContact O-N 3.11Å; D410-G412 PolarHBondContact O-N 2.77Å; D410-S414 PolarHBondContact OD2-OG 3.29Å | ||
| 411 | A | 53.2 | Low | 61.4 | Low | 104 Ų | 104 | 109.3 Ų | 109.3 | 86% | 0.86 | 61% | 0.608 | S | S | * | * | trans | -77.1 | 63.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | G409 | G409-A411 PolarHBondContact O-N 2.97Å; G409-A411 VanDerWaalsContact O-N 3.12Å | ||
| 412 | G | 50.4 | Low | 62.2 | Low | 32 Ų | 32 | 108.2 Ų | 108.2 | 33% | 0.33 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -120.6 | 154.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D410 S414 V415 | D410-G412 PolarHBondContact O-N 2.77Å; G412-S414 PolarHBondContact O-N 3.35Å; G412-S414 PolarHBondContact O-OG 2.97Å; G412-V415 PolarHBondContact O-N 3.48Å |
| 413 | G | 55.6 | Low | 63.7 | Low | 61 Ų | 61 | 107.1 Ų | 107.1 | 63% | 0.629 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -3.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | V415 Q416 Q417 | G413-V415 VanDerWaalsContact C-N 3.29Å; G413-V415 PolarHBondContact O-N 2.82Å; G413-Q416 PolarHBondContact O-N 3.31Å; G413-Q417 PolarHBondContact O-N 3.47Å |
| 414 | S | 58.7 | Low | 65.1 | Low | 62 Ų | 62 | 105.7 Ų | 105.7 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.4 | -32.3 | 173.3 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | D410 G412 R418 | D410-S414 PolarHBondContact OD2-OG 3.29Å; G412-S414 PolarHBondContact O-N 3.35Å; G412-S414 PolarHBondContact O-OG 2.97Å; S414-R418 WeakPolarHBondContact O-CB 3.45Å; S414-R418 PolarHBondContact O-N 3.32Å |
| 415 | V | 59.7 | Low | 66.5 | Low | 84 Ų | 84 | 105.5 Ų | 105.5 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.6 | -42.4 | -179.4 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | G412 G413 Q419 | G412-V415 PolarHBondContact O-N 3.48Å; G413-V415 VanDerWaalsContact C-N 3.29Å; G413-V415 PolarHBondContact O-N 2.82Å; V415-Q419 VanDerWaalsContact O-CB 3.31Å; V415-Q419 WeakPolarHBondContact O-CB 3.36Å; V415-Q419 PolarHBondContact O-N 3.45Å |
| 416 | Q | 66.4 | Low | 67.6 | Low | 133 Ų | 133 | 104.9 Ų | 104.9 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.6 | -39 | 178.6 | -77.9 | 176.1 | -11.6 | 0 | 0 | 111.8 | G413 Q419 R420 | G413-Q416 PolarHBondContact O-N 3.31Å; Q416-Q419 PolarHBondContact O-N 2.94Å; Q416-R420 WeakPolarHBondContact O-CG 3.48Å; Q416-R420 PolarHBondContact O-N 2.89Å |
| 417 | Q | 69.6 | Low | 69.4 | Low | 123 Ų | 123 | 109.3 Ų | 109.3 | 58% | 0.575 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.1 | -52.3 | 173 | -165.1 | 97.2 | 6.6 | 0 | 0 | 110.4 | G413 Q419 R420 D421 | G413-Q417 PolarHBondContact O-N 3.47Å; Q417-Q419 VanDerWaalsContact C-N 3.25Å; Q417-Q419 PolarHBondContact O-N 3.46Å; Q417-R420 PolarHBondContact O-N 2.82Å; Q417-R420 VanDerWaalsContact O-N 3.09Å; Q417-D421 VanDerWaalsContact O-CG 3.27Å; Q417-D421 PolarHBondContact O-N 3.45Å |
| 418 | R | 71.3 | Confident | 71.2 | Confident | 181 Ų | 181 | 104.5 Ų | 104.5 | 68% | 0.683 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.6 | -34.8 | 179.3 | -168.9 | 175.7 | -174.3 | -179.3 | 2.4 | 112.3 | S414 M422 | S414-R418 WeakPolarHBondContact O-CB 3.45Å; S414-R418 PolarHBondContact O-N 3.32Å; R418-M422 VanDerWaalsContact O-CB 3.25Å; R418-M422 WeakPolarHBondContact O-CB 3.29Å; R418-M422 PolarHBondContact O-N 2.85Å |
| 419 | Q | 75.6 | Confident | 73 | Confident | 116 Ų | 116 | 106.7 Ų | 106.7 | 54% | 0.542 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.9 | -40.6 | 176.5 | -165.9 | 167.5 | 18.6 | 0 | 0 | 112.1 | V415 Q416 Q417 M422 Q423 | V415-Q419 VanDerWaalsContact O-CB 3.31Å; V415-Q419 WeakPolarHBondContact O-CB 3.36Å; V415-Q419 PolarHBondContact O-N 3.45Å; Q416-Q419 PolarHBondContact O-N 2.94Å; Q417-Q419 VanDerWaalsContact C-N 3.25Å; Q417-Q419 PolarHBondContact O-N 3.46Å; Q419-M422 PolarHBondContact O-N 3.32Å; Q419-Q423 VanDerWaalsContact O-CG 3.3Å; Q419-Q423 WeakPolarHBondContact O-CG 3.46Å; Q419-Q423 PolarHBondContact O-N 3.15Å |
| 420 | R | 80.7 | Confident | 74.5 | Confident | 174 Ų | 174 | 107 Ų | 107 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.7 | -43.3 | 173.2 | -72.5 | 176.5 | 179.6 | -179.9 | 1.2 | 111.6 | Q416 Q417 M422 Q423 Y424 | Q416-R420 WeakPolarHBondContact O-CG 3.48Å; Q416-R420 PolarHBondContact O-N 2.89Å; Q417-R420 PolarHBondContact O-N 2.82Å; Q417-R420 VanDerWaalsContact O-N 3.09Å; R420-M422 VanDerWaalsContact C-N 3.35Å; R420-M422 PolarHBondContact O-N 2.96Å; R420-Q423 PolarHBondContact O-N 3.02Å; R420-Y424 PolarHBondContact O-N 3.28Å |
| 421 | D | 83.1 | Confident | 76.6 | Confident | 88 Ų | 88 | 109.3 Ų | 109.3 | 47% | 0.471 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 177 | -65.9 | -18.3 | 0 | 0 | 0 | 111 | Q417 Q423 Y424 V425 | Q417-D421 VanDerWaalsContact O-CG 3.27Å; Q417-D421 PolarHBondContact O-N 3.45Å; D421-Q423 VanDerWaalsContact C-N 3.34Å; D421-Q423 PolarHBondContact O-N 3.4Å; D421-Y424 PolarHBondContact O-N 2.88Å; D421-V425 WeakPolarHBondContact O-CB 3.47Å; D421-V425 VanDerWaalsContact O-CG2 3.28Å; D421-V425 WeakPolarHBondContact O-CG2 3.27Å; D421-V425 PolarHBondContact O-N 2.92Å |
| 422 | M | 80.3 | Confident | 78.4 | Confident | 95 Ų | 95 | 111.8 Ų | 111.8 | 47% | 0.468 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -40.5 | 176 | -157 | 75.5 | 70.3 | 0 | 0 | 111.7 | R418 Q419 R420 V425 Q426 | R418-M422 VanDerWaalsContact O-CB 3.25Å; R418-M422 WeakPolarHBondContact O-CB 3.29Å; R418-M422 PolarHBondContact O-N 2.85Å; Q419-M422 PolarHBondContact O-N 3.32Å; R420-M422 VanDerWaalsContact C-N 3.35Å; R420-M422 PolarHBondContact O-N 2.96Å; M422-V425 PolarHBondContact O-N 3.41Å; M422-Q426 WeakPolarHBondContact O-CB 3.45Å; M422-Q426 VanDerWaalsContact O-CG 3.22Å; M422-Q426 WeakPolarHBondContact O-CG 3.37Å; M422-Q426 PolarHBondContact O-N 2.86Å |
| 423 | Q | 85.8 | Confident | 80.3 | Confident | 98 Ų | 98 | 115 Ų | 115 | 46% | 0.458 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 175.3 | -74.8 | 177 | 9.7 | 0 | 0 | 111.9 | Q419 R420 D421 Q426 R427 | Q419-Q423 VanDerWaalsContact O-CG 3.3Å; Q419-Q423 WeakPolarHBondContact O-CG 3.46Å; Q419-Q423 PolarHBondContact O-N 3.15Å; R420-Q423 PolarHBondContact O-N 3.02Å; D421-Q423 VanDerWaalsContact C-N 3.34Å; D421-Q423 PolarHBondContact O-N 3.4Å; Q423-Q426 PolarHBondContact O-N 3.47Å; Q423-R427 WeakPolarHBondContact O-CB 3.34Å; Q423-R427 PolarHBondContact O-N 2.85Å |
| 424 | Y | 89.2 | Confident | 82 | Confident | 140 Ų | 140 | 117.7 Ų | 117.7 | 55% | 0.549 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 174.8 | 180 | -92.8 | 0 | 0 | 0 | 111.5 | R420 D421 Q426 R427 M428 | R420-Y424 PolarHBondContact O-N 3.28Å; D421-Y424 PolarHBondContact O-N 2.88Å; Y424-Q426 VanDerWaalsContact C-N 3.35Å; Y424-Q426 PolarHBondContact O-N 2.92Å; Y424-R427 PolarHBondContact O-N 3.44Å; Y424-M428 HydrophobicContact CD1-CG 4.24Å; Y424-M428 HydrophobicContact CE1-CE 4.27Å; Y424-M428 HydrophobicContact CE1-CG 3.82Å; Y424-M428 HydrophobicContact CE2-CE 3.73Å; Y424-M428 HydrophobicContact CE2-CG 4.45Å; Y424-M428 VanDerWaalsContact CZ-CE 3.46Å; Y424-M428 PolarHBondContact O-N 3.33Å; Y424-M428 WeakPolarHBondContact OH-CE 3.18Å |
| 425 | V | 89.3 | Confident | 83.7 | Confident | 86 Ų | 86 | 122.3 Ų | 122.3 | 52% | 0.521 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.1 | -44.2 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 111 | D421 M422 R427 M428 K429 | D421-V425 WeakPolarHBondContact O-CB 3.47Å; D421-V425 VanDerWaalsContact O-CG2 3.28Å; D421-V425 WeakPolarHBondContact O-CG2 3.27Å; D421-V425 PolarHBondContact O-N 2.92Å; M422-V425 PolarHBondContact O-N 3.41Å; V425-R427 VanDerWaalsContact C-N 3.34Å; V425-R427 PolarHBondContact O-N 3.1Å; V425-M428 PolarHBondContact O-N 3.36Å; V425-K429 VanDerWaalsContact O-CB 3.25Å; V425-K429 WeakPolarHBondContact O-CB 3.49Å; V425-K429 PolarHBondContact O-N 3.46Å |
| 426 | Q | 86.1 | Confident | 85.2 | Confident | 124 Ų | 124 | 121.7 Ų | 121.7 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62 | -41.8 | 176.4 | -76.3 | 174.4 | -0.6 | 0 | 0 | 112 | M422 Q423 Y424 K429 S430 | M422-Q426 WeakPolarHBondContact O-CB 3.45Å; M422-Q426 VanDerWaalsContact O-CG 3.22Å; M422-Q426 WeakPolarHBondContact O-CG 3.37Å; M422-Q426 PolarHBondContact O-N 2.86Å; Q423-Q426 PolarHBondContact O-N 3.47Å; Y424-Q426 VanDerWaalsContact C-N 3.35Å; Y424-Q426 PolarHBondContact O-N 2.92Å; Q426-K429 PolarHBondContact O-N 3.42Å; Q426-S430 PolarHBondContact O-N 3.11Å; Q426-S430 PolarHBondContact O-OG 3.42Å |
| 427 | R | 91.6 | Very high | 86.4 | Confident | 157 Ų | 157 | 116.8 Ų | 116.8 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.1 | -39.8 | 178 | -166.6 | -176.6 | -61 | 173.9 | 1.5 | 112.2 | Q423 Y424 V425 S430 R431 | Q423-R427 WeakPolarHBondContact O-CB 3.34Å; Q423-R427 PolarHBondContact O-N 2.85Å; Y424-R427 PolarHBondContact O-N 3.44Å; V425-R427 VanDerWaalsContact C-N 3.34Å; V425-R427 PolarHBondContact O-N 3.1Å; R427-S430 PolarHBondContact O-OG 3.08Å; R427-R431 WeakPolarHBondContact O-CB 3.37Å; R427-R431 WeakPolarHBondContact O-CG 3.27Å; R427-R431 PolarHBondContact O-N 3.01Å; R427-R431 VanDerWaalsContact O-N 3.08Å |
| 428 | M | 92.6 | Very high | 87.4 | Confident | 79 Ų | 79 | 116.8 Ų | 116.8 | 39% | 0.389 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 175.5 | -74.2 | -55.7 | -172.1 | 0 | 0 | 111.6 | Y424 V425 R431 W432 | Y424-M428 HydrophobicContact CD1-CG 4.24Å; Y424-M428 HydrophobicContact CE1-CE 4.27Å; Y424-M428 HydrophobicContact CE1-CG 3.82Å; Y424-M428 HydrophobicContact CE2-CE 3.73Å; Y424-M428 HydrophobicContact CE2-CG 4.45Å; Y424-M428 VanDerWaalsContact CZ-CE 3.46Å; Y424-M428 PolarHBondContact O-N 3.33Å; Y424-M428 WeakPolarHBondContact OH-CE 3.18Å; V425-M428 PolarHBondContact O-N 3.36Å; M428-R431 PolarHBondContact O-N 3.37Å; M428-W432 VanDerWaalsContact O-CB 3.31Å; M428-W432 WeakPolarHBondContact O-CB 3.5Å; M428-W432 PolarHBondContact O-N 3.15Å |
| 429 | K | 90.1 | Very high | 88.3 | Confident | 130 Ų | 130 | 110.4 Ų | 110.4 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 175.9 | -170 | -179.7 | 178 | 175.6 | 0 | 111.7 | V425 Q426 W432 M433 | V425-K429 VanDerWaalsContact O-CB 3.25Å; V425-K429 WeakPolarHBondContact O-CB 3.49Å; V425-K429 PolarHBondContact O-N 3.46Å; Q426-K429 PolarHBondContact O-N 3.42Å; K429-W432 PolarHBondContact O-N 3.38Å; K429-M433 HydrophobicContact CG-CE 4.04Å; K429-M433 HydrophobicContact CG-SD 4.46Å; K429-M433 WeakPolarHBondContact O-CB 3.36Å; K429-M433 WeakPolarHBondContact O-CG 3.38Å; K429-M433 PolarHBondContact O-N 3.45Å |
| 430 | S | 85.9 | Confident | 88.9 | Confident | 60 Ų | 60 | 107.3 Ų | 107.3 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 178.2 | 65.8 | 0 | 0 | 0 | 0 | 112 | Q426 R427 W432 M433 L434 | Q426-S430 PolarHBondContact O-N 3.11Å; Q426-S430 PolarHBondContact O-OG 3.42Å; R427-S430 PolarHBondContact O-OG 3.08Å; S430-W432 PolarHBondContact O-N 3.28Å; S430-M433 PolarHBondContact O-N 3Å; S430-L434 WeakPolarHBondContact O-CB 3.35Å; S430-L434 PolarHBondContact O-N 3.49Å |
| 431 | R | 93.6 | Very high | 89.1 | Confident | 168 Ų | 168 | 103.8 Ų | 103.8 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.4 | -44.2 | 173.3 | -81.6 | -179.9 | 139.6 | -164.9 | -4.9 | 112.3 | R427 M428 L434 K435 | R427-R431 WeakPolarHBondContact O-CB 3.37Å; R427-R431 WeakPolarHBondContact O-CG 3.27Å; R427-R431 PolarHBondContact O-N 3.01Å; R427-R431 VanDerWaalsContact O-N 3.08Å; M428-R431 PolarHBondContact O-N 3.37Å; R431-L434 PolarHBondContact O-N 2.89Å; R431-K435 WeakPolarHBondContact O-CB 3.38Å; R431-K435 PolarHBondContact O-N 3.46Å |
| 432 | W | 91.4 | Very high | 89 | Confident | 157 Ų | 157 | 104.9 Ų | 104.9 | 60% | 0.595 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.5 | -43.9 | 178.8 | -176.5 | 88.5 | 0 | 0 | 0 | 111.9 | M428 K429 S430 L434 K435 M436 | M428-W432 VanDerWaalsContact O-CB 3.31Å; M428-W432 WeakPolarHBondContact O-CB 3.5Å; M428-W432 PolarHBondContact O-N 3.15Å; K429-W432 PolarHBondContact O-N 3.38Å; S430-W432 PolarHBondContact O-N 3.28Å; W432-L434 VanDerWaalsContact C-N 3.33Å; W432-L434 PolarHBondContact O-N 3.34Å; W432-K435 PolarHBondContact O-N 2.98Å; W432-M436 HydrophobicContact CH2-CE 3.83Å; W432-M436 HydrophobicContact CZ2-CE 3.21Å; W432-M436 VanDerWaalsContact O-CB 3.29Å; W432-M436 WeakPolarHBondContact O-CB 3.4Å; W432-M436 PolarHBondContact O-N 2.86Å |
| 433 | M | 89.4 | Confident | 89.2 | Confident | 100 Ų | 100 | 104 Ų | 104 | 49% | 0.493 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 175.9 | -74.4 | -172.5 | -60.3 | 0 | 0 | 112 | K429 S430 M436 G437 | K429-M433 HydrophobicContact CG-CE 4.04Å; K429-M433 HydrophobicContact CG-SD 4.46Å; K429-M433 WeakPolarHBondContact O-CB 3.36Å; K429-M433 WeakPolarHBondContact O-CG 3.38Å; K429-M433 PolarHBondContact O-N 3.45Å; S430-M433 PolarHBondContact O-N 3Å; M433-M436 PolarHBondContact O-N 2.88Å; M433-G437 PolarHBondContact O-N 3.44Å |
| 434 | L | 92.4 | Very high | 89.1 | Confident | 116 Ų | 116 | 107 Ų | 107 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.7 | -46 | 176.4 | -172.5 | 132.2 | 0 | 0 | 0 | 111.2 | S430 R431 W432 M436 G437 M438 | S430-L434 WeakPolarHBondContact O-CB 3.35Å; S430-L434 PolarHBondContact O-N 3.49Å; R431-L434 PolarHBondContact O-N 2.89Å; W432-L434 VanDerWaalsContact C-N 3.33Å; W432-L434 PolarHBondContact O-N 3.34Å; L434-M436 VanDerWaalsContact C-N 3.35Å; L434-M436 PolarHBondContact O-N 3.2Å; L434-G437 PolarHBondContact O-N 3.48Å; L434-M438 HydrophobicContact CD2-CG 4.47Å; L434-M438 HydrophobicContact CD2-SD 3.45Å; L434-M438 WeakPolarHBondContact CD2-SD 3.31Å; L434-M438 HydrophobicContact CG-SD 4.16Å; L434-M438 WeakPolarHBondContact O-CB 3.25Å; L434-M438 VanDerWaalsContact O-CG 3.27Å; L434-M438 WeakPolarHBondContact O-CG 3.22Å; L434-M438 PolarHBondContact O-N 3.46Å |
| 435 | K | 93.9 | Very high | 88.9 | Confident | 159 Ų | 159 | 105 Ų | 105 | 69% | 0.691 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.6 | -45.3 | 175.7 | -171.9 | 176.8 | -177.7 | 179.2 | 0 | 111.6 | R431 W432 M438 S439 | R431-K435 WeakPolarHBondContact O-CB 3.38Å; R431-K435 PolarHBondContact O-N 3.46Å; W432-K435 PolarHBondContact O-N 2.98Å; K435-M438 PolarHBondContact O-N 3.23Å; K435-S439 WeakPolarHBondContact O-CB 3.38Å; K435-S439 PolarHBondContact O-N 3.44Å; K435-S439 PolarHBondContact O-OG 2.92Å |
| 436 | M | 91.3 | Very high | 88.5 | Confident | 71 Ų | 71 | 109 Ų | 109 | 35% | 0.35 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 178.2 | -166.1 | 64.5 | 77.5 | 0 | 0 | 111.1 | W432 M433 L434 S439 N440 | W432-M436 HydrophobicContact CH2-CE 3.83Å; W432-M436 HydrophobicContact CZ2-CE 3.21Å; W432-M436 VanDerWaalsContact O-CB 3.29Å; W432-M436 WeakPolarHBondContact O-CB 3.4Å; W432-M436 PolarHBondContact O-N 2.86Å; M433-M436 PolarHBondContact O-N 2.88Å; L434-M436 VanDerWaalsContact C-N 3.35Å; L434-M436 PolarHBondContact O-N 3.2Å; M436-S439 WeakPolarHBondContact CA-OG 3.23Å; M436-S439 PolarHBondContact O-N 2.97Å; M436-S439 PolarHBondContact O-OG 3.11Å; M436-N440 WeakPolarHBondContact O-CB 3.28Å; M436-N440 PolarHBondContact O-N 3.12Å; M436-N440 PolarHBondContact O-ND2 3.4Å |
| 437 | G | 91.4 | Very high | 88.5 | Confident | 30 Ų | 30 | 111.9 Ų | 111.9 | 31% | 0.309 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M433 L434 S439 N440 N441 | M433-G437 PolarHBondContact O-N 3.44Å; L434-G437 PolarHBondContact O-N 3.48Å; G437-S439 VanDerWaalsContact C-N 3.34Å; G437-S439 PolarHBondContact O-N 2.9Å; G437-N440 WeakPolarHBondContact O-CB 3.48Å; G437-N440 PolarHBondContact O-N 2.89Å; G437-N440 VanDerWaalsContact O-N 3.15Å; G437-N441 PolarHBondContact O-N 2.94Å; G437-N441 PolarHBondContact O-OD1 2.86Å |
| 438 | M | 90.2 | Very high | 88.3 | Confident | 124 Ų | 124 | 111.5 Ų | 111.5 | 61% | 0.611 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.5 | -40.8 | 175.8 | -69.3 | 173.4 | 76.5 | 0 | 0 | 111.9 | L434 K435 N440 N441 | L434-M438 HydrophobicContact CD2-CG 4.47Å; L434-M438 HydrophobicContact CD2-SD 3.45Å; L434-M438 WeakPolarHBondContact CD2-SD 3.31Å; L434-M438 HydrophobicContact CG-SD 4.16Å; L434-M438 WeakPolarHBondContact O-CB 3.25Å; L434-M438 VanDerWaalsContact O-CG 3.27Å; L434-M438 WeakPolarHBondContact O-CG 3.22Å; L434-M438 PolarHBondContact O-N 3.46Å; K435-M438 PolarHBondContact O-N 3.23Å; M438-N440 VanDerWaalsContact C-N 3.32Å; M438-N440 PolarHBondContact O-N 3.25Å; M438-N441 PolarHBondContact O-N 3.09Å |
| 439 | S | 89.4 | Confident | 88 | Confident | 46 Ų | 46 | 118.3 Ų | 118.3 | 32% | 0.322 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.6 | -30.2 | 174.9 | 71.1 | 0 | 0 | 0 | 0 | 113.1 | K435 M436 G437 N441 T442 T443 | K435-S439 WeakPolarHBondContact O-CB 3.38Å; K435-S439 PolarHBondContact O-N 3.44Å; K435-S439 PolarHBondContact O-OG 2.92Å; M436-S439 WeakPolarHBondContact CA-OG 3.23Å; M436-S439 PolarHBondContact O-N 2.97Å; M436-S439 PolarHBondContact O-OG 3.11Å; G437-S439 VanDerWaalsContact C-N 3.34Å; G437-S439 PolarHBondContact O-N 2.9Å; S439-N441 VanDerWaalsContact C-N 3.32Å; S439-N441 PolarHBondContact O-N 2.9Å; S439-T442 PolarHBondContact O-N 3.24Å; S439-T442 PolarHBondContact O-OG1 3Å; S439-T442 VanDerWaalsContact O-OG1 3.11Å; S439-T443 WeakPolarHBondContact O-CB 3.3Å; S439-T443 WeakPolarHBondContact O-CG2 3.36Å; S439-T443 PolarHBondContact O-N 3.45Å; S439-T443 PolarHBondContact O-OG1 3.38Å |
| 440 | N | 89.3 | Confident | 87.8 | Confident | 52 Ų | 52 | 114.5 Ų | 114.5 | 28% | 0.278 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69.3 | -29.9 | 178.1 | -77.3 | -22.7 | 0 | 0 | 0 | 112.2 | M436 G437 M438 T442 T443 K444 | M436-N440 WeakPolarHBondContact O-CB 3.28Å; M436-N440 PolarHBondContact O-N 3.12Å; M436-N440 PolarHBondContact O-ND2 3.4Å; G437-N440 WeakPolarHBondContact O-CB 3.48Å; G437-N440 PolarHBondContact O-N 2.89Å; G437-N440 VanDerWaalsContact O-N 3.15Å; M438-N440 VanDerWaalsContact C-N 3.32Å; M438-N440 PolarHBondContact O-N 3.25Å; N440-T442 PolarHBondContact O-N 2.94Å; N440-T443 WeakPolarHBondContact CA-OG1 3.18Å; N440-K444 HydrophobicContact CB-CG 4.18Å; N440-K444 VanDerWaalsContact O-CB 3.27Å; N440-K444 WeakPolarHBondContact O-CB 3.31Å; N440-K444 PolarHBondContact O-N 3.34Å |
| 441 | N | 84.5 | Confident | 87.5 | Confident | 99 Ų | 99 | 121 Ų | 121 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.7 | -36.7 | 177.3 | -71.2 | -10.9 | 0 | 0 | 0 | 112 | G437 M438 S439 Q445 | G437-N441 PolarHBondContact O-N 2.94Å; G437-N441 PolarHBondContact O-OD1 2.86Å; M438-N441 PolarHBondContact O-N 3.09Å; S439-N441 VanDerWaalsContact C-N 3.32Å; S439-N441 PolarHBondContact O-N 2.9Å; N441-Q445 WeakPolarHBondContact O-CB 3.17Å; N441-Q445 VanDerWaalsContact O-CG 3.28Å; N441-Q445 WeakPolarHBondContact O-CG 3.25Å |
| 442 | T | 81.4 | Confident | 87.1 | Confident | 112 Ų | 112 | 117.9 Ų | 117.9 | 69% | 0.687 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -90.8 | -42.3 | 176.9 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | S439 N440 | S439-T442 PolarHBondContact O-N 3.24Å; S439-T442 PolarHBondContact O-OG1 3Å; S439-T442 VanDerWaalsContact O-OG1 3.11Å; N440-T442 PolarHBondContact O-N 2.94Å |
| 443 | T | 84.6 | Confident | 86.2 | Confident | 77 Ų | 77 | 118.2 Ų | 118.2 | 47% | 0.472 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75.9 | -28.6 | -174.1 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | S439 N440 K446 | S439-T443 WeakPolarHBondContact O-CB 3.3Å; S439-T443 WeakPolarHBondContact O-CG2 3.36Å; S439-T443 PolarHBondContact O-N 3.45Å; S439-T443 PolarHBondContact O-OG1 3.38Å; N440-T443 WeakPolarHBondContact CA-OG1 3.18Å; T443-K446 WeakPolarHBondContact O-CE 3.4Å |
| 444 | K | 84.1 | Confident | 85.2 | Confident | 159 Ų | 159 | 126 Ų | 126 | 69% | 0.691 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -19.2 | -177.4 | -61.3 | -145.3 | 175.3 | -167.1 | 0 | 114.5 | N440 K446 | N440-K444 HydrophobicContact CB-CG 4.18Å; N440-K444 VanDerWaalsContact O-CB 3.27Å; N440-K444 WeakPolarHBondContact O-CB 3.31Å; N440-K444 PolarHBondContact O-N 3.34Å; K444-K446 VanDerWaalsContact C-N 3.28Å; K444-K446 PolarHBondContact O-N 3.03Å |
| 445 | Q | 83.5 | Confident | 84.8 | Confident | 100 Ų | 100 | 126.5 Ų | 126.5 | 47% | 0.467 | 62% | 0.62 | S | S | . | * | trans | -91 | 50.6 | 178.7 | -58.6 | -170.8 | -2.9 | 0 | 0 | 112.3 | N441 H447 F448 | N441-Q445 WeakPolarHBondContact O-CB 3.17Å; N441-Q445 VanDerWaalsContact O-CG 3.28Å; N441-Q445 WeakPolarHBondContact O-CG 3.25Å; Q445-H447 PolarHBondContact O-N 3.46Å; Q445-F448 HydrophobicContact CB-CB 4.16Å; Q445-F448 PolarHBondContact O-N 3.28Å | ||
| 446 | K | 81.4 | Confident | 84.4 | Confident | 170 Ų | 170 | 124.7 Ų | 124.7 | 74% | 0.739 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -25.3 | -175 | -65.4 | -175 | 178.5 | -177.5 | 0 | 114.4 | T443 K444 | T443-K446 WeakPolarHBondContact O-CE 3.4Å; K444-K446 VanDerWaalsContact C-N 3.28Å; K444-K446 PolarHBondContact O-N 3.03Å |
| 447 | H | 87.2 | Confident | 84 | Confident | 184 Ų | 184 | 127.7 Ų | 127.7 | 85% | 0.852 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 43.6 | 179.4 | -55.1 | -62 | 0 | 0 | 0 | 110.9 | Q445 R449 | Q445-H447 PolarHBondContact O-N 3.46Å; H447-R449 PolarHBondContact O-N 3.35Å |
| 448 | F | 86.3 | Confident | 83.6 | Confident | 149 Ų | 149 | 133.5 Ų | 133.5 | 65% | 0.654 | 65% | 0.65 | S | S | * | * | trans | -65.6 | 127.5 | 177.3 | -174.3 | -103 | 0 | 0 | 0 | 110.9 | Q445 | Q445-F448 HydrophobicContact CB-CB 4.16Å; Q445-F448 PolarHBondContact O-N 3.28Å | ||
| 449 | R | 86.3 | Confident | 83.1 | Confident | 221 Ų | 221 | 134.1 Ų | 134.1 | 83% | 0.834 | 65% | 0.653 | S | S | * | * | trans | -108.9 | 117.3 | 177.2 | -178.7 | 177.1 | 176.1 | 173.4 | -0.4 | 109.5 | H447 Q451 | H447-R449 PolarHBondContact O-N 3.35Å; R449-Q451 PolarHBondContact O-N 2.73Å | ||
| 450 | A | 86.4 | Confident | 82.7 | Confident | 51 Ų | 51 | 139.9 Ų | 139.9 | 42% | 0.421 | 68% | 0.675 | S | S | . | * | trans | -64.3 | 131.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | M453 | A450-M453 HydrophobicContact CB-SD 4.5Š| ||
| 451 | Q | 80.6 | Confident | 82.3 | Confident | 196 Ų | 196 | 146.2 Ų | 146.2 | 92% | 0.916 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -84.6 | -26.2 | -178.8 | -76.3 | -177.3 | -24.6 | 0 | 0 | 113.1 | R449 | R449-Q451 PolarHBondContact O-N 2.73Š|
| 452 | V | 83.6 | Confident | 82.1 | Confident | 103 Ų | 103 | 149.8 Ų | 149.8 | 62% | 0.624 | 72% | 0.717 | S | S | * | * | trans | -114.8 | 118.7 | 175.7 | -176.7 | 0 | 0 | 0 | 0 | 107.2 | F454 | V452-F454 HydrophobicContact CG1-CD1 4.27Å; V452-F454 HydrophobicContact CG1-CE1 4.13Å | ||
| 453 | M | 73.1 | Confident | 82.1 | Confident | 164 Ų | 164 | 153 Ų | 153 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | trans | -98.1 | 121.2 | 173 | -58.6 | -72.1 | -83.4 | 0 | 0 | 106.1 | A450 | A450-M453 HydrophobicContact CB-SD 4.5Š| ||
| 454 | F | 68.8 | Low | 81.9 | Confident | 262 Ų | 262 | 159.9 Ų | 159.9 | 100% | 1.149 | 74% | 0.741 | S | S | * | * | trans | -82.6 | 0 | 177.4 | -38.1 | -76.1 | 0 | 0 | 0 | 110.9 | V452 | V452-F454 HydrophobicContact CG1-CD1 4.27Å; V452-F454 HydrophobicContact CG1-CE1 4.13Å |
Retrieved 454 of 454 residues in 2513.8 ms
(Link to these results)