| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 53.4 | Low | 73.6 | Confident | 226 Ų | 226 | 70.1 Ų | 70.1 | 100% | 1.113 | 43% | 0.433 | S | S | * | . | 0 | 140.8 | 0 | -68.8 | 174.9 | 173.5 | 0 | 0 | 109 | |||||
| 2 | P | 62.9 | Low | 73.9 | Confident | 126 Ų | 126 | 80 Ų | 80 | 82% | 0.818 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 130.9 | 173.8 | 28.6 | -33.5 | 0 | 0 | 0 | 110.8 | ||
| 3 | G | 67.9 | Low | 74.4 | Confident | 30 Ų | 30 | 77.2 Ų | 77.2 | 31% | 0.309 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 140.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N14 | G3-N14 PolarHBondContact O-ND2 3.29Š|
| 4 | F | 78.7 | Confident | 75 | Confident | 103 Ų | 103 | 73.8 Ų | 73.8 | 45% | 0.452 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 131.9 | 179.3 | -52.2 | -71.7 | 0 | 0 | 0 | 112.2 | N14 S15 R59 | F4-N14 CarbonylContact O-C 3.59Å; F4-N14 WeakPolarHBondContact O-CA 3.36Å; F4-S15 PolarHBondContact O-N 3.28Å; F4-R59 HydrophobicContact CB-CG 4.12Å; F4-R59 HydrophobicContact CD1-CG 4.38Å; F4-R59 HydrophobicContact CG-CG 4.26Å |
| 5 | T | 82.4 | Confident | 75.3 | Confident | 88 Ų | 88 | 72.1 Ų | 72.1 | 54% | 0.54 | 42% | 0.415 | S | S | . | . | B | Isolated β-bridge | trans | -93.1 | 153.9 | 168.7 | 44.6 | 0 | 0 | 0 | 0 | 111.4 | N14 | T5-N14 HydrophobicContact CG2-CB 4.33Å; T5-N14 VanDerWaalsContact CG2-ND2 3.29Å; T5-N14 WeakPolarHBondContact CG2-ND2 3.46Å |
| 6 | C | 83.1 | Confident | 75.4 | Confident | 10 Ų | 10 | 76.1 Ų | 76.1 | 7% | 0.068 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -68.3 | 138 | 167.2 | -166.4 | 0 | 0 | 0 | 0 | 110.5 | V8 C11 N13 R59 C61 | C6-V8 VanDerWaalsContact C-N 3.35Å; C6-C11 HydrophobicContact CB-CB 4.04Å; C6-C11 WeakPolarHBondContact CB-SG 3.49Å; C6-C11 VanDerWaalsContact SG-SG 3.69Å; C6-N13 PolarHBondContact N-O 3.17Å; C6-R59 WeakPolarHBondContact CA-O 3.17Å; C6-C61 HydrophobicContact CB-CB 4.26Å; C6-C61 PolarHBondContact SG-N 2.89Å |
| 7 | C | 79.8 | Confident | 75.4 | Confident | 32 Ų | 32 | 82.4 Ų | 82.4 | 22% | 0.216 | 44% | 0.444 | C | S | . | . | trans | -87.7 | 4.1 | 175.9 | 66.1 | 0 | 0 | 0 | 0 | 114.9 | F52 H58 R59 L60 | C7-F52 HydrophobicContact CB-CZ 4.38Å; C7-H58 HydrophobicContact CB-CB 4.36Å; C7-R59 PolarHBondContact N-O 3.48Å; C7-R59 PolarHBondContact SG-O 2.88Å; C7-R59 VanDerWaalsContact SG-O 3.41Å; C7-L60 WeakPolarHBondContact SG-CD2 3.31Å | ||
| 8 | V | 78.4 | Confident | 75.4 | Confident | 6 Ų | 6 | 80.3 Ų | 80.3 | 4% | 0.036 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -77.1 | 129.4 | 178.9 | 180 | 0 | 0 | 0 | 0 | 111.1 | C6 G10 C11 L60 F80 | C6-V8 VanDerWaalsContact C-N 3.35Å; V8-G10 PolarHBondContact O-N 2.92Å; V8-C11 HydrophobicContact CB-CB 3.96Å; V8-C11 HydrophobicContact CG1-CB 4.45Å; V8-C11 WeakPolarHBondContact O-CB 3.48Å; V8-C11 PolarHBondContact O-N 2.81Å; V8-L60 HydrophobicContact CG2-CD2 3.45Å; V8-L60 VanDerWaalsContact CG2-CD2 3.45Å; V8-F80 HydrophobicContact CB-CE1 4.42Å; V8-F80 HydrophobicContact CG1-CD1 3.59Å; V8-F80 HydrophobicContact CG1-CE1 3.79Å; V8-F80 HydrophobicContact CG2-CD1 4.39Å; V8-F80 HydrophobicContact CG2-CE1 3.73Å |
| 9 | P | 74.1 | Confident | 75.5 | Confident | 70 Ų | 70 | 85.9 Ų | 85.9 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 129.9 | 174.4 | -26.6 | 35.2 | 0 | 0 | 0 | 112.6 | C11 R42 | P9-C11 VanDerWaalsContact C-N 3.26Å; P9-C11 PolarHBondContact O-N 2.68Å; P9-R42 HydrophobicContact CG-CG 3.76Å |
| 10 | G | 70.5 | Confident | 75.6 | Confident | 60 Ų | 60 | 85.8 Ų | 85.8 | 62% | 0.619 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -8.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V8 Y12 | V8-G10 PolarHBondContact O-N 2.92Å; G10-Y12 WeakPolarHBondContact O-CD2 3.27Å |
| 11 | C | 78.4 | Confident | 75.9 | Confident | 20 Ų | 20 | 83.7 Ų | 83.7 | 14% | 0.135 | 45% | 0.453 | C | S | . | . | trans | -88.4 | 122.8 | 171.8 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | C6 V8 P9 N13 H64 | C6-C11 HydrophobicContact CB-CB 4.04Å; C6-C11 WeakPolarHBondContact CB-SG 3.49Å; C6-C11 VanDerWaalsContact SG-SG 3.69Å; V8-C11 HydrophobicContact CB-CB 3.96Å; V8-C11 HydrophobicContact CG1-CB 4.45Å; V8-C11 WeakPolarHBondContact O-CB 3.48Å; V8-C11 PolarHBondContact O-N 2.81Å; P9-C11 VanDerWaalsContact C-N 3.26Å; P9-C11 PolarHBondContact O-N 2.68Å; C11-N13 VanDerWaalsContact SG-CG 3.5Å; C11-H64 PolarHBondContact SG-NE2 2.96Å | ||
| 12 | Y | 77.6 | Confident | 77.4 | Confident | 189 Ų | 189 | 77 Ų | 77 | 74% | 0.741 | 42% | 0.419 | S | S | * | . | trans | -108.8 | 14 | 178.4 | -65.7 | -80.5 | 0 | 0 | 0 | 113.4 | G10 | G10-Y12 WeakPolarHBondContact O-CD2 3.27Š| ||
| 13 | N | 80.6 | Confident | 78.5 | Confident | 43 Ų | 43 | 72.6 Ų | 72.6 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | trans | -68 | 135 | -178.4 | -59.4 | -5.2 | 0 | 0 | 0 | 110.3 | C6 C11 D18 L21 F23 C61 | C6-N13 PolarHBondContact N-O 3.17Å; C11-N13 VanDerWaalsContact SG-CG 3.5Å; N13-D18 VanDerWaalsContact CA-OD2 3.24Å; N13-D18 WeakPolarHBondContact CA-OD2 3.25Å; N13-L21 HydrophobicContact CB-CD1 3.98Å; N13-L21 WeakPolarHBondContact ND2-CD1 3.34Å; N13-F23 HydrophobicContact CB-CZ 4.31Å; N13-C61 HydrophobicContact CB-CB 4.29Å; N13-C61 PolarHBondContact ND2-SG 2.74Å | ||
| 14 | N | 82.1 | Confident | 79.3 | Confident | 30 Ų | 30 | 73.8 Ų | 73.8 | 16% | 0.16 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -135.7 | 132 | -175.8 | -176.2 | -59.7 | 0 | 0 | 0 | 111 | G3 F4 T5 H16 R17 D18 F23 | G3-N14 PolarHBondContact O-ND2 3.29Å; F4-N14 CarbonylContact O-C 3.59Å; F4-N14 WeakPolarHBondContact O-CA 3.36Å; T5-N14 HydrophobicContact CG2-CB 4.33Å; T5-N14 VanDerWaalsContact CG2-ND2 3.29Å; T5-N14 WeakPolarHBondContact CG2-ND2 3.46Å; N14-H16 PolarHBondContact O-N 2.94Å; N14-H16 WeakPolarHBondContact OD1-CB 3.03Å; N14-H16 PolarHBondContact OD1-N 2.72Å; N14-R17 HydrophobicContact CB-CG 4.38Å; N14-R17 PolarHBondContact O-N 3.29Å; N14-D18 PolarHBondContact N-OD2 3.42Å; N14-D18 PolarHBondContact O-N 3.12Å; N14-F23 VanDerWaalsContact C-CZ 3.48Å |
| 15 | S | 79.2 | Confident | 79.7 | Confident | 48 Ų | 48 | 73 Ų | 73 | 34% | 0.336 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.4 | -177.3 | -173.2 | 0 | 0 | 0 | 0 | 115.3 | F4 F23 | F4-S15 PolarHBondContact O-N 3.28Å; S15-F23 VanDerWaalsContact CA-CE2 3.45Å; S15-F23 VanDerWaalsContact N-CZ 3.27Å |
| 16 | H | 76.8 | Confident | 79.7 | Confident | 137 Ų | 137 | 69.8 Ų | 69.8 | 63% | 0.634 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -29.7 | 174 | -171 | -91.3 | 0 | 0 | 0 | 113.2 | N14 | N14-H16 PolarHBondContact O-N 2.94Å; N14-H16 WeakPolarHBondContact OD1-CB 3.03Å; N14-H16 PolarHBondContact OD1-N 2.72Å |
| 17 | R | 76.2 | Confident | 79.7 | Confident | 182 Ų | 182 | 70.2 Ų | 70.2 | 69% | 0.687 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -48.6 | 179.6 | -62.3 | 178.2 | 69.6 | -142.2 | 0.4 | 110.8 | N14 K19 | N14-R17 HydrophobicContact CB-CG 4.38Å; N14-R17 PolarHBondContact O-N 3.29Å; R17-K19 PolarHBondContact O-N 2.68Å |
| 18 | D | 75.1 | Confident | 79.8 | Confident | 45 Ų | 45 | 78.9 Ų | 78.9 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | trans | -104 | 62 | -164.7 | -48.4 | -58.8 | 0 | 0 | 0 | 110.5 | N13 N14 A20 L21 | N13-D18 VanDerWaalsContact CA-OD2 3.24Å; N13-D18 WeakPolarHBondContact CA-OD2 3.25Å; N14-D18 PolarHBondContact N-OD2 3.42Å; N14-D18 PolarHBondContact O-N 3.12Å; D18-A20 PolarHBondContact O-N 3.1Å; D18-L21 HydrophobicContact CB-CB 4.39Å; D18-L21 HydrophobicContact CB-CD1 3.85Å; D18-L21 HydrophobicContact CB-CG 4.08Å; D18-L21 PolarHBondContact O-N 2.88Å | ||
| 19 | K | 76.6 | Confident | 80.1 | Confident | 187 Ų | 187 | 82.9 Ų | 82.9 | 81% | 0.813 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -18.7 | -173.3 | -64 | -174.4 | 179.7 | -178.3 | 0 | 114.9 | R17 | R17-K19 PolarHBondContact O-N 2.68Š|
| 20 | A | 78.7 | Confident | 80.5 | Confident | 83 Ų | 83 | 83 Ų | 83 | 69% | 0.686 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D18 | D18-A20 PolarHBondContact O-N 3.1Š|
| 21 | L | 82.1 | Confident | 81.1 | Confident | 42 Ų | 42 | 85.1 Ų | 85.1 | 22% | 0.22 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -98.9 | 135.1 | -178.9 | -60.9 | -175.4 | 0 | 0 | 0 | 111.5 | N13 D18 F23 V63 | N13-L21 HydrophobicContact CB-CD1 3.98Å; N13-L21 WeakPolarHBondContact ND2-CD1 3.34Å; D18-L21 HydrophobicContact CB-CB 4.39Å; D18-L21 HydrophobicContact CB-CD1 3.85Å; D18-L21 HydrophobicContact CB-CG 4.08Å; D18-L21 PolarHBondContact O-N 2.88Å; L21-F23 HydrophobicContact CB-CE2 3.99Å; L21-F23 WeakPolarHBondContact O-CD2 3.49Å; L21-F23 WeakPolarHBondContact O-CE2 3.44Å; L21-V63 HydrophobicContact CD1-CG1 4.42Å; L21-V63 HydrophobicContact CD2-CG1 3.83Å |
| 22 | H | 84.3 | Confident | 81.3 | Confident | 87 Ų | 87 | 85.7 Ų | 85.7 | 40% | 0.403 | 43% | 0.425 | S | S | . | . | trans | -88.1 | 139.3 | 173.3 | -62.9 | -79.3 | 0 | 0 | 0 | 110.8 | Y24 C61 S62 R69 | H22-Y24 HydrophobicContact CB-CE1 4.49Å; H22-Y24 HydrophobicContact CB-CE2 4.28Å; H22-C61 CarbonylContact O-C 3.6Å; H22-C61 WeakPolarHBondContact O-CA 3.32Å; H22-S62 WeakPolarHBondContact O-CB 3.44Å; H22-S62 PolarHBondContact O-N 3.42Å; H22-R69 PolarHBondContact CD2-NH1 3.17Å; H22-R69 PolarHBondContact NE2-NH1 3.04Å; H22-R69 PolarHBondContact NE2-NH2 3.43Å | ||
| 23 | F | 85.1 | Confident | 81.5 | Confident | 32 Ų | 32 | 80.9 Ų | 80.9 | 14% | 0.14 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 101.1 | -178.9 | -73.8 | -101.1 | 0 | 0 | 0 | 109.8 | N13 N14 S15 L21 R59 L60 C61 | N13-F23 HydrophobicContact CB-CZ 4.31Å; N14-F23 VanDerWaalsContact C-CZ 3.48Å; S15-F23 VanDerWaalsContact CA-CE2 3.45Å; S15-F23 VanDerWaalsContact N-CZ 3.27Å; L21-F23 HydrophobicContact CB-CE2 3.99Å; L21-F23 WeakPolarHBondContact O-CD2 3.49Å; L21-F23 WeakPolarHBondContact O-CE2 3.44Å; F23-R59 HydrophobicContact CB-CB 4.2Å; F23-R59 HydrophobicContact CB-CG 4.49Å; F23-R59 HydrophobicContact CD1-CB 4.26Å; F23-L60 CarbonylContact C-O 3.57Å; F23-C61 HydrophobicContact CD1-CB 4.01Å; F23-C61 HydrophobicContact CE1-CB 3.66Å; F23-C61 HydrophobicContact CE2-CB 4.39Å; F23-C61 HydrophobicContact CZ-CB 3.85Å |
| 24 | Y | 85.7 | Confident | 81.4 | Confident | 55 Ų | 55 | 86.4 Ų | 86.4 | 22% | 0.216 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 142.2 | -176.6 | -60.3 | -72.7 | 0 | 0 | 0 | 111.9 | H22 R59 L60 F65 K70 | H22-Y24 HydrophobicContact CB-CE1 4.49Å; H22-Y24 HydrophobicContact CB-CE2 4.28Å; Y24-R59 WeakPolarHBondContact O-CA 3.32Å; Y24-R59 WeakPolarHBondContact O-CD 3.33Å; Y24-L60 PolarHBondContact N-O 2.74Å; Y24-L60 PolarHBondContact O-N 3.39Å; Y24-F65 HydrophobicContact CD2-CD2 4.14Å; Y24-F65 AromaticContact CD2-CE2 3.62Å; Y24-F65 HydrophobicContact CD2-CE2 3.62Å; Y24-F65 HydrophobicContact CD2-CZ 4.17Å; Y24-F65 HydrophobicContact CE2-CD2 4.22Å; Y24-F65 HydrophobicContact CE2-CE2 4.16Å; Y24-K70 HydrophobicContact CD1-CD 4.45Å; Y24-K70 HydrophobicContact CD2-CB 4.32Å; Y24-K70 HydrophobicContact CE1-CB 3.98Å; Y24-K70 HydrophobicContact CE2-CB 3.74Å; Y24-K70 PolarHBondContact OH-N 3.48Å |
| 25 | T | 86.1 | Confident | 81.3 | Confident | 86 Ų | 86 | 88.2 Ų | 88.2 | 53% | 0.528 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 156.5 | 165.8 | 43.6 | 0 | 0 | 0 | 0 | 111.1 | W36 | T25-W36 WeakPolarHBondContact O-CH2 3.41Å; T25-W36 WeakPolarHBondContact O-CZ3 3.35Å |
| 26 | F | 84.2 | Confident | 81.4 | Confident | 22 Ų | 22 | 86 Ų | 86 | 10% | 0.096 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 142.7 | 166.3 | -77.2 | -95.7 | 0 | 0 | 0 | 110.4 | W36 L37 P54 H58 L60 | F26-W36 HydrophobicContact CD1-CB 4.25Å; F26-W36 AromaticContact CD1-CE3 3.99Å; F26-W36 HydrophobicContact CD1-CE3 3.99Å; F26-W36 HydrophobicContact CE1-CB 4.23Å; F26-W36 HydrophobicContact CE1-CE3 4.32Å; F26-W36 HydrophobicContact CG-CE3 4.42Å; F26-L37 HydrophobicContact CE1-CD2 4.26Å; F26-L37 HydrophobicContact CE1-CG 4.27Å; F26-P54 HydrophobicContact CD1-CB 4.41Å; F26-P54 HydrophobicContact CD1-CG 4.3Å; F26-P54 HydrophobicContact CD2-CB 3.98Å; F26-P54 HydrophobicContact CE1-CB 4.28Å; F26-P54 HydrophobicContact CE1-CG 4.37Å; F26-P54 HydrophobicContact CE2-CB 3.85Å; F26-P54 HydrophobicContact CG-CB 4.27Å; F26-P54 HydrophobicContact CG-CG 4.44Å; F26-P54 HydrophobicContact CZ-CB 4.01Å; F26-H58 HydrophobicContact CD2-CB 4.35Å; F26-H58 HydrophobicContact CE2-CB 3.82Å; F26-L60 HydrophobicContact CZ-CG 4.38Å |
| 27 | P | 83.3 | Confident | 81.5 | Confident | 18 Ų | 18 | 81.2 Ų | 81.2 | 12% | 0.117 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 154.4 | 173.9 | -26.4 | 34.9 | 0 | 0 | 0 | 113.6 | D29 L32 W36 | P27-D29 HydrophobicContact CB-CB 4.4Å; P27-L32 HydrophobicContact CB-CB 4.27Å; P27-L32 HydrophobicContact CB-CD2 4.06Å; P27-L32 HydrophobicContact CB-CG 4.31Å; P27-L32 HydrophobicContact CG-CB 4.29Å; P27-L32 HydrophobicContact CG-CD2 3.7Å; P27-L32 HydrophobicContact CG-CG 3.84Å; P27-W36 VanDerWaalsContact CD-CE3 3.49Å; P27-W36 HydrophobicContact CG-CD2 3.94Å; P27-W36 HydrophobicContact CG-CE3 4.33Å; P27-W36 HydrophobicContact CG-CG 4.41Å; P27-W36 HydrophobicContact CG-CH2 4.29Å; P27-W36 HydrophobicContact CG-CZ2 3.89Å; P27-W36 HydrophobicContact CG-CZ3 4.5Å |
| 28 | K | 82 | Confident | 81.5 | Confident | 215 Ų | 215 | 79.7 Ų | 79.7 | 94% | 0.935 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -75.5 | -36.9 | 167.9 | -66 | -173.2 | 177.7 | -175 | 0 | 111.9 | A30 | K28-A30 PolarHBondContact O-N 3.2Š|
| 29 | D | 84.7 | Confident | 81.5 | Confident | 89 Ų | 89 | 80.2 Ų | 80.2 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -52.6 | 122.4 | 172.1 | 170 | -6.2 | 0 | 0 | 0 | 110.8 | P27 E31 L32 R33 | P27-D29 HydrophobicContact CB-CB 4.4Å; D29-E31 PolarHBondContact OD1-N 3.36Å; D29-L32 HydrophobicContact CB-CB 4.1Å; D29-L32 PolarHBondContact OD1-N 2.93Å; D29-L32 VanDerWaalsContact OD1-N 3.1Å; D29-L32 VanDerWaalsContact OD2-CB 3.27Å; D29-L32 WeakPolarHBondContact OD2-CB 3.21Å; D29-R33 WeakPolarHBondContact O-CB 3.19Å; D29-R33 PolarHBondContact O-N 3.01Å |
| 30 | A | 82.4 | Confident | 81.4 | Confident | 72 Ų | 72 | 71.6 Ų | 71.6 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -65.7 | -38.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K28 R34 | K28-A30 PolarHBondContact O-N 3.2Å; A30-R34 VanDerWaalsContact O-CB 3.25Å; A30-R34 WeakPolarHBondContact O-CB 3.47Å; A30-R34 PolarHBondContact O-N 3.36Å |
| 31 | E | 83.2 | Confident | 80.6 | Confident | 106 Ų | 106 | 70 Ų | 70 | 50% | 0.495 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -74.8 | -45.5 | -178.6 | -83.8 | -59.1 | 111.3 | 0 | 0 | 111.4 | D29 R33 R34 L35 | D29-E31 PolarHBondContact OD1-N 3.36Å; E31-R33 VanDerWaalsContact C-N 3.28Å; E31-R33 PolarHBondContact O-N 3.28Å; E31-R34 WeakPolarHBondContact O-CB 3.46Å; E31-R34 PolarHBondContact O-N 3.25Å; E31-R34 VanDerWaalsContact O-N 3.16Å; E31-R34 IonicContact OE1-CZ 2.81Å; E31-R34 IonicContact OE1-NE 2.71Å; E31-R34 PolarHBondContact OE1-NE 2.7Å; E31-R34 IonicContact OE1-NH2 3.08Å; E31-R34 PolarHBondContact OE1-NH2 2.99Å; E31-R34 IonicContact OE2-CZ 3.43Å; E31-R34 IonicContact OE2-NE 2.74Å; E31-R34 PolarHBondContact OE2-NE 2.99Å; E31-R34 IonicContact OE2-NH2 3.42Å; E31-R34 PolarHBondContact OE2-NH2 3.02Å; E31-L35 WeakPolarHBondContact O-CB 3.43Å; E31-L35 PolarHBondContact O-N 3.2Å |
| 32 | L | 81.8 | Confident | 79.7 | Confident | 32 Ų | 32 | 72.5 Ų | 72.5 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65 | -35.2 | 174.9 | -168.6 | 66.1 | 0 | 0 | 0 | 111.2 | P27 D29 L35 W36 R75 V76 | P27-L32 HydrophobicContact CB-CB 4.27Å; P27-L32 HydrophobicContact CB-CD2 4.06Å; P27-L32 HydrophobicContact CB-CG 4.31Å; P27-L32 HydrophobicContact CG-CB 4.29Å; P27-L32 HydrophobicContact CG-CD2 3.7Å; P27-L32 HydrophobicContact CG-CG 3.84Å; D29-L32 HydrophobicContact CB-CB 4.1Å; D29-L32 PolarHBondContact OD1-N 2.93Å; D29-L32 VanDerWaalsContact OD1-N 3.1Å; D29-L32 VanDerWaalsContact OD2-CB 3.27Å; D29-L32 WeakPolarHBondContact OD2-CB 3.21Å; L32-L35 PolarHBondContact O-N 3.38Å; L32-W36 WeakPolarHBondContact O-CB 3.42Å; L32-W36 PolarHBondContact O-N 2.94Å; L32-R75 HydrophobicContact CD1-CB 4.28Å; L32-R75 HydrophobicContact CD2-CB 4.44Å; L32-V76 HydrophobicContact CD1-CG2 3.64Å |
| 33 | R | 81.6 | Confident | 77.8 | Confident | 88 Ų | 88 | 71.6 Ų | 71.6 | 33% | 0.332 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 171.6 | 178.6 | -179.7 | 174.8 | 120.5 | -1.7 | 112.1 | D29 E31 W36 L37 P54 | D29-R33 WeakPolarHBondContact O-CB 3.19Å; D29-R33 PolarHBondContact O-N 3.01Å; E31-R33 VanDerWaalsContact C-N 3.28Å; E31-R33 PolarHBondContact O-N 3.28Å; R33-W36 PolarHBondContact O-N 2.82Å; R33-L37 HydrophobicContact CG-CD1 4.24Å; R33-L37 WeakPolarHBondContact O-CB 3.44Å; R33-L37 WeakPolarHBondContact O-CG 3.41Å; R33-L37 PolarHBondContact O-N 3.16Å; R33-P54 PolarHBondContact NH2-O 3.2Å; R33-P54 VanDerWaalsContact NH2-O 3.16Å |
| 34 | R | 79.1 | Confident | 75.9 | Confident | 158 Ų | 158 | 73.6 Ų | 73.6 | 60% | 0.596 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.8 | -42.1 | 175 | -173.2 | 176.3 | 73 | 106 | -0.7 | 111.3 | A30 E31 L37 K38 | A30-R34 VanDerWaalsContact O-CB 3.25Å; A30-R34 WeakPolarHBondContact O-CB 3.47Å; A30-R34 PolarHBondContact O-N 3.36Å; E31-R34 WeakPolarHBondContact O-CB 3.46Å; E31-R34 PolarHBondContact O-N 3.25Å; E31-R34 VanDerWaalsContact O-N 3.16Å; E31-R34 IonicContact OE1-CZ 2.81Å; E31-R34 IonicContact OE1-NE 2.71Å; E31-R34 PolarHBondContact OE1-NE 2.7Å; E31-R34 IonicContact OE1-NH2 3.08Å; E31-R34 PolarHBondContact OE1-NH2 2.99Å; E31-R34 IonicContact OE2-CZ 3.43Å; E31-R34 IonicContact OE2-NE 2.74Å; E31-R34 PolarHBondContact OE2-NE 2.99Å; E31-R34 IonicContact OE2-NH2 3.42Å; E31-R34 PolarHBondContact OE2-NH2 3.02Å; R34-L37 PolarHBondContact O-N 3.39Å; R34-K38 WeakPolarHBondContact O-CB 3.26Å; R34-K38 PolarHBondContact O-N 2.68Å |
| 35 | L | 80.3 | Confident | 74 | Confident | 69 Ų | 69 | 74.3 Ų | 74.3 | 36% | 0.361 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.5 | -42.1 | 176.9 | -176.6 | 56.4 | 0 | 0 | 0 | 112.7 | E31 L32 L37 K38 N39 V76 | E31-L35 WeakPolarHBondContact O-CB 3.43Å; E31-L35 PolarHBondContact O-N 3.2Å; L32-L35 PolarHBondContact O-N 3.38Å; L35-L37 VanDerWaalsContact C-N 3.29Å; L35-L37 PolarHBondContact O-N 2.87Å; L35-K38 PolarHBondContact O-N 3.16Å; L35-N39 PolarHBondContact O-N 2.67Å; L35-N39 VanDerWaalsContact O-N 3.07Å; L35-N39 PolarHBondContact O-OD1 3.2Å; L35-V76 HydrophobicContact CD2-CG1 4.09Å; L35-V76 HydrophobicContact CD2-CG2 3.66Å; L35-V76 HydrophobicContact CG-CG1 3.96Å; L35-V76 HydrophobicContact CG-CG2 4.3Å |
| 36 | W | 81.3 | Confident | 71.6 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.6 | -45 | 170.3 | -80.4 | 38 | 0 | 0 | 0 | 110.7 | T25 F26 P27 L32 R33 N39 V40 L60 F65 K70 R75 P77 | T25-W36 WeakPolarHBondContact O-CH2 3.41Å; T25-W36 WeakPolarHBondContact O-CZ3 3.35Å; F26-W36 HydrophobicContact CD1-CB 4.25Å; F26-W36 AromaticContact CD1-CE3 3.99Å; F26-W36 HydrophobicContact CD1-CE3 3.99Å; F26-W36 HydrophobicContact CE1-CB 4.23Å; F26-W36 HydrophobicContact CE1-CE3 4.32Å; F26-W36 HydrophobicContact CG-CE3 4.42Å; P27-W36 VanDerWaalsContact CD-CE3 3.49Å; P27-W36 HydrophobicContact CG-CD2 3.94Å; P27-W36 HydrophobicContact CG-CE3 4.33Å; P27-W36 HydrophobicContact CG-CG 4.41Å; P27-W36 HydrophobicContact CG-CH2 4.29Å; P27-W36 HydrophobicContact CG-CZ2 3.89Å; P27-W36 HydrophobicContact CG-CZ3 4.5Å; L32-W36 WeakPolarHBondContact O-CB 3.42Å; L32-W36 PolarHBondContact O-N 2.94Å; R33-W36 PolarHBondContact O-N 2.82Å; W36-N39 PolarHBondContact O-N 2.9Å; W36-V40 WeakPolarHBondContact O-CB 3.35Å; W36-V40 WeakPolarHBondContact O-CG2 3.16Å; W36-V40 PolarHBondContact O-N 3.3Å; W36-L60 HydrophobicContact CD2-CD1 4.24Å; W36-L60 HydrophobicContact CE3-CD1 3.43Å; W36-L60 VanDerWaalsContact CE3-CD1 3.43Å; W36-L60 HydrophobicContact CE3-CG 4.42Å; W36-L60 HydrophobicContact CZ3-CD1 3.74Å; W36-L60 HydrophobicContact CZ3-CG 4.42Å; W36-F65 HydrophobicContact CH2-CE1 4.02Å; W36-F65 AromaticContact CH2-CZ 3.54Å; W36-F65 HydrophobicContact CH2-CZ 3.54Å; W36-F65 AromaticContact CZ2-CE1 3.65Å; W36-F65 HydrophobicContact CZ2-CE1 3.65Å; W36-F65 AromaticContact CZ2-CZ 3.68Å; W36-F65 HydrophobicContact CZ2-CZ 3.68Å; W36-F65 HydrophobicContact CZ3-CZ 4.11Å; W36-K70 HydrophobicContact CZ2-CD 4.47Å; W36-R75 WeakPolarHBondContact CZ2-O 3.25Å; W36-R75 PolarHBondContact NE1-O 3.34Å; W36-P77 HydrophobicContact CD2-CG 4.12Å; W36-P77 HydrophobicContact CG-CG 4.19Å |
| 37 | L | 78.2 | Confident | 70 | Confident | 38 Ų | 38 | 77.4 Ų | 77.4 | 20% | 0.199 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.7 | -82.9 | 166.1 | 0 | 0 | 0 | 112.4 | F26 R33 R34 L35 N39 V40 S41 F52 P54 | F26-L37 HydrophobicContact CE1-CD2 4.26Å; F26-L37 HydrophobicContact CE1-CG 4.27Å; R33-L37 HydrophobicContact CG-CD1 4.24Å; R33-L37 WeakPolarHBondContact O-CB 3.44Å; R33-L37 WeakPolarHBondContact O-CG 3.41Å; R33-L37 PolarHBondContact O-N 3.16Å; R34-L37 PolarHBondContact O-N 3.39Å; L35-L37 VanDerWaalsContact C-N 3.29Å; L35-L37 PolarHBondContact O-N 2.87Å; L37-N39 VanDerWaalsContact C-N 3.29Å; L37-N39 PolarHBondContact O-N 3.33Å; L37-V40 CarbonylContact O-C 3.5Å; L37-V40 PolarHBondContact O-N 3.46Å; L37-S41 VanDerWaalsContact O-CA 3.31Å; L37-S41 WeakPolarHBondContact O-CA 3.45Å; L37-S41 WeakPolarHBondContact O-CB 3.35Å; L37-S41 PolarHBondContact O-N 3.14Å; L37-F52 HydrophobicContact CD2-CD1 3.65Å; L37-F52 HydrophobicContact CD2-CE1 3.82Å; L37-P54 HydrophobicContact CD1-CG 3.83Å; L37-P54 HydrophobicContact CD2-CB 4.36Å; L37-P54 HydrophobicContact CD2-CG 3.74Å; L37-P54 HydrophobicContact CG-CG 4.09Å |
| 38 | K | 75.8 | Confident | 67.9 | Low | 150 Ų | 150 | 83.6 Ų | 83.6 | 65% | 0.652 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -53.5 | -46.6 | 176 | -173.6 | 179.1 | -179.1 | -179.9 | 0 | 111.2 | R34 L35 S41 | R34-K38 WeakPolarHBondContact O-CB 3.26Å; R34-K38 PolarHBondContact O-N 2.68Å; L35-K38 PolarHBondContact O-N 3.16Å; K38-S41 WeakPolarHBondContact O-CB 3.31Å; K38-S41 PolarHBondContact O-N 2.7Å; K38-S41 PolarHBondContact O-OG 2.81Å |
| 39 | N | 75.3 | Confident | 66.4 | Low | 55 Ų | 55 | 78.9 Ų | 78.9 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -76.8 | -34.8 | -177 | -61.3 | 4.1 | 0 | 0 | 0 | 113 | L35 W36 L37 S41 V76 P77 F80 | L35-N39 PolarHBondContact O-N 2.67Å; L35-N39 VanDerWaalsContact O-N 3.07Å; L35-N39 PolarHBondContact O-OD1 3.2Å; W36-N39 PolarHBondContact O-N 2.9Å; L37-N39 VanDerWaalsContact C-N 3.29Å; L37-N39 PolarHBondContact O-N 3.33Å; N39-S41 PolarHBondContact O-N 2.88Å; N39-V76 VanDerWaalsContact ND2-CG1 3.31Å; N39-V76 WeakPolarHBondContact ND2-CG1 3.35Å; N39-P77 PolarHBondContact ND2-O 3.33Å; N39-F80 HydrophobicContact CB-CD2 4.19Å; N39-F80 HydrophobicContact CB-CE2 3.52Å; N39-F80 HydrophobicContact CB-CZ 4.09Å |
| 40 | V | 73.9 | Confident | 64.7 | Low | 6 Ų | 6 | 79.1 Ų | 79.1 | 4% | 0.036 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -72.5 | -17.1 | 171.6 | 175.2 | 0 | 0 | 0 | 0 | 112 | W36 L37 F52 L60 F80 | W36-V40 WeakPolarHBondContact O-CB 3.35Å; W36-V40 WeakPolarHBondContact O-CG2 3.16Å; W36-V40 PolarHBondContact O-N 3.3Å; L37-V40 CarbonylContact O-C 3.5Å; L37-V40 PolarHBondContact O-N 3.46Å; V40-F52 HydrophobicContact CG1-CE1 4.36Å; V40-L60 HydrophobicContact CG2-CD1 3.87Å; V40-L60 HydrophobicContact CG2-CD2 3.78Å; V40-L60 HydrophobicContact CG2-CG 4.49Å; V40-F80 HydrophobicContact CB-CE1 4.22Å; V40-F80 HydrophobicContact CB-CZ 4.33Å; V40-F80 HydrophobicContact CG2-CE1 3.73Å; V40-F80 HydrophobicContact CG2-CZ 3.57Å |
| 41 | S | 62.9 | Low | 63.4 | Low | 51 Ų | 51 | 81.9 Ų | 81.9 | 36% | 0.357 | 47% | 0.474 | S | S | . | . | trans | -62.3 | 139.9 | -162.2 | 71.1 | 0 | 0 | 0 | 0 | 113.8 | L37 K38 N39 A43 | L37-S41 VanDerWaalsContact O-CA 3.31Å; L37-S41 WeakPolarHBondContact O-CA 3.45Å; L37-S41 WeakPolarHBondContact O-CB 3.35Å; L37-S41 PolarHBondContact O-N 3.14Å; K38-S41 WeakPolarHBondContact O-CB 3.31Å; K38-S41 PolarHBondContact O-N 2.7Å; K38-S41 PolarHBondContact O-OG 2.81Å; N39-S41 PolarHBondContact O-N 2.88Å; S41-A43 PolarHBondContact O-N 3.35Å; S41-A43 WeakPolarHBondContact OG-CB 3.34Å | ||
| 42 | R | 61.9 | Low | 62.3 | Low | 93 Ų | 93 | 79.1 Ų | 79.1 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | trans | -81.4 | 25.7 | 168.4 | -68.6 | 164.4 | 51.2 | 176.3 | -8.4 | 111.7 | P9 G44 V45 R83 | P9-R42 HydrophobicContact CG-CG 3.76Å; R42-G44 CarbonylContact O-C 3.26Å; R42-G44 PolarHBondContact O-N 2.92Å; R42-V45 HydrophobicContact CB-CG2 4.24Å; R42-V45 PolarHBondContact O-N 3.4Å; R42-R83 PolarHBondContact O-NH2 3.18Å; R42-R83 VanDerWaalsContact O-NH2 3.08Å | ||
| 43 | A | 44.8 | Very low | 61.3 | Low | 68 Ų | 68 | 85.3 Ų | 85.3 | 56% | 0.562 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 113.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S41 R83 | S41-A43 PolarHBondContact O-N 3.35Å; S41-A43 WeakPolarHBondContact OG-CB 3.34Å; A43-R83 VanDerWaalsContact C-NH2 3.33Å; A43-R83 VanDerWaalsContact O-CZ 3.24Å; A43-R83 PolarHBondContact O-NH1 2.94Å; A43-R83 PolarHBondContact O-NH2 2.82Å |
| 44 | G | 46.2 | Very low | 60.4 | Low | 75 Ų | 75 | 81.4 Ų | 81.4 | 77% | 0.773 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.3 | 23.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R42 R83 | R42-G44 CarbonylContact O-C 3.26Å; R42-G44 PolarHBondContact O-N 2.92Å; G44-R83 VanDerWaalsContact C-NH2 3.32Å; G44-R83 PolarHBondContact O-NH2 3.03Å |
| 45 | V | 44.8 | Very low | 59.7 | Low | 70 Ų | 70 | 78.2 Ų | 78.2 | 42% | 0.424 | 47% | 0.472 | S | S | . | . | trans | -107.4 | 91.8 | 157.1 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | R42 | R42-V45 HydrophobicContact CB-CG2 4.24Å; R42-V45 PolarHBondContact O-N 3.4Å | ||
| 46 | S | 36.7 | Very low | 59 | Low | 121 Ų | 121 | 81 Ų | 81 | 85% | 0.846 | 49% | 0.493 | S | S | * | . | trans | -68.7 | 132.3 | 178.5 | 39.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 47 | G | 49.3 | Very low | 58.3 | Low | 51 Ų | 51 | 83.3 Ų | 83.3 | 53% | 0.526 | 52% | 0.516 | S | S | . | . | S | Bend | trans | 144 | -174.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | F49 S50 | G47-F49 PolarHBondContact O-N 2.92Å; G47-S50 PolarHBondContact O-N 3.33Å; G47-S50 VanDerWaalsContact O-N 3.12Å |
| 48 | C | 40.7 | Very low | 58.3 | Low | 149 Ų | 149 | 84 Ų | 84 | 100% | 1.007 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -5.9 | -175.5 | -163.1 | 0 | 0 | 0 | 0 | 115 | ||
| 49 | F | 48.7 | Very low | 58.8 | Low | 115 Ų | 115 | 78.8 Ų | 78.8 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 26.3 | 176 | -139.5 | -80.7 | 0 | 0 | 0 | 112.8 | G47 F52 | G47-F49 PolarHBondContact O-N 2.92Å; F49-F52 HydrophobicContact CE1-CD2 4.07Å |
| 50 | S | 49.5 | Very low | 59.2 | Low | 95 Ų | 95 | 76.2 Ų | 76.2 | 66% | 0.664 | 48% | 0.481 | S | S | * | . | trans | -62.8 | -46.7 | -170.2 | -165.6 | 0 | 0 | 0 | 0 | 113.3 | G47 | G47-S50 PolarHBondContact O-N 3.33Å; G47-S50 VanDerWaalsContact O-N 3.12Å | ||
| 51 | T | 54.8 | Low | 59.7 | Low | 130 Ų | 130 | 75.9 Ų | 75.9 | 80% | 0.798 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -104.5 | 86.6 | -176.2 | 40.3 | 0 | 0 | 0 | 0 | 111.5 | Q53 | T51-Q53 PolarHBondContact O-N 2.83Š|
| 52 | F | 60.9 | Low | 60.8 | Low | 47 Ų | 47 | 73.6 Ų | 73.6 | 21% | 0.206 | 46% | 0.463 | C | S | . | . | trans | -68.6 | 97.8 | 173.7 | 174.9 | -108.8 | 0 | 0 | 0 | 111.5 | C7 L37 V40 F49 P54 H58 | C7-F52 HydrophobicContact CB-CZ 4.38Å; L37-F52 HydrophobicContact CD2-CD1 3.65Å; L37-F52 HydrophobicContact CD2-CE1 3.82Å; V40-F52 HydrophobicContact CG1-CE1 4.36Å; F49-F52 HydrophobicContact CE1-CD2 4.07Å; F52-P54 HydrophobicContact CE1-CB 4.18Å; F52-P54 HydrophobicContact CZ-CB 4.27Å; F52-H58 AromaticContact CE2-CD2 3.69Å; F52-H58 AromaticContact CE2-NE2 3.54Å; F52-H58 AromaticContact CZ-CD2 3.61Å; F52-H58 AromaticContact CZ-NE2 3.95Å | ||
| 53 | Q | 60.8 | Low | 61.7 | Low | 162 Ų | 162 | 72 Ų | 72 | 76% | 0.757 | 46% | 0.463 | S | S | * | . | trans | -95.7 | 116.5 | 175.6 | -158.4 | 174.5 | 23.7 | 0 | 0 | 109.9 | T51 T55 | T51-Q53 PolarHBondContact O-N 2.83Å; Q53-T55 PolarHBondContact O-N 3.21Å | ||
| 54 | P | 62.5 | Low | 63.4 | Low | 7 Ų | 7 | 69 Ų | 69 | 5% | 0.045 | 44% | 0.437 | C | S | . | . | trans | -78.9 | 102.1 | -172.8 | 31.6 | -34.7 | 0 | 0 | 0 | 110.7 | F26 R33 L37 F52 H58 | F26-P54 HydrophobicContact CD1-CB 4.41Å; F26-P54 HydrophobicContact CD1-CG 4.3Å; F26-P54 HydrophobicContact CD2-CB 3.98Å; F26-P54 HydrophobicContact CE1-CB 4.28Å; F26-P54 HydrophobicContact CE1-CG 4.37Å; F26-P54 HydrophobicContact CE2-CB 3.85Å; F26-P54 HydrophobicContact CG-CB 4.27Å; F26-P54 HydrophobicContact CG-CG 4.44Å; F26-P54 HydrophobicContact CZ-CB 4.01Å; R33-P54 PolarHBondContact NH2-O 3.2Å; R33-P54 VanDerWaalsContact NH2-O 3.16Å; L37-P54 HydrophobicContact CD1-CG 3.83Å; L37-P54 HydrophobicContact CD2-CB 4.36Å; L37-P54 HydrophobicContact CD2-CG 3.74Å; L37-P54 HydrophobicContact CG-CG 4.09Å; F52-P54 HydrophobicContact CE1-CB 4.18Å; F52-P54 HydrophobicContact CZ-CB 4.27Å; P54-H58 HydrophobicContact CB-CB 4.38Å | ||
| 55 | T | 65.1 | Low | 65 | Low | 91 Ų | 91 | 65.4 Ų | 65.4 | 56% | 0.558 | 40% | 0.401 | S | S | * | . | trans | -68.2 | 163.8 | 168.8 | 72.7 | 0 | 0 | 0 | 0 | 111.5 | Q53 G57 H58 | Q53-T55 PolarHBondContact O-N 3.21Å; T55-G57 PolarHBondContact O-N 2.84Å; T55-H58 PolarHBondContact N-ND1 3.07Å; T55-H58 VanDerWaalsContact N-ND1 3.15Å; T55-H58 PolarHBondContact O-N 3.37Å; T55-H58 PolarHBondContact O-ND1 3.07Å; T55-H58 PolarHBondContact OG1-CE1 3.43Å; T55-H58 PolarHBondContact OG1-ND1 3.3Å; T55-H58 VanDerWaalsContact OG1-ND1 3.08Å | ||
| 56 | T | 64.1 | Low | 66 | Low | 128 Ų | 128 | 67.5 Ų | 67.5 | 79% | 0.785 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -15.5 | -174.8 | -45 | 0 | 0 | 0 | 0 | 115.3 | R59 | T56-R59 VanDerWaalsContact O-CZ 3.31Å; T56-R59 PolarHBondContact O-NH1 3.49Å; T56-R59 PolarHBondContact O-NH2 2.84Å |
| 57 | G | 68.4 | Low | 67.2 | Low | 48 Ų | 48 | 65.4 Ų | 65.4 | 50% | 0.495 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -21.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | T55 | T55-G57 PolarHBondContact O-N 2.84Š|
| 58 | H | 77.7 | Confident | 67.9 | Low | 52 Ų | 52 | 64.1 Ų | 64.1 | 24% | 0.241 | 39% | 0.39 | C | S | . | . | trans | -76.1 | 135.6 | -170.8 | -63.7 | 88.9 | 0 | 0 | 0 | 113 | C7 F26 F52 P54 T55 | C7-H58 HydrophobicContact CB-CB 4.36Å; F26-H58 HydrophobicContact CD2-CB 4.35Å; F26-H58 HydrophobicContact CE2-CB 3.82Å; F52-H58 AromaticContact CE2-CD2 3.69Å; F52-H58 AromaticContact CE2-NE2 3.54Å; F52-H58 AromaticContact CZ-CD2 3.61Å; F52-H58 AromaticContact CZ-NE2 3.95Å; P54-H58 HydrophobicContact CB-CB 4.38Å; T55-H58 PolarHBondContact N-ND1 3.07Å; T55-H58 VanDerWaalsContact N-ND1 3.15Å; T55-H58 PolarHBondContact O-N 3.37Å; T55-H58 PolarHBondContact O-ND1 3.07Å; T55-H58 PolarHBondContact OG1-CE1 3.43Å; T55-H58 PolarHBondContact OG1-ND1 3.3Å; T55-H58 VanDerWaalsContact OG1-ND1 3.08Å | ||
| 59 | R | 84.9 | Confident | 69.1 | Low | 41 Ų | 41 | 63.3 Ų | 63.3 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -134.6 | 152.1 | -178.8 | -61.1 | -67.2 | 174.9 | -86.8 | -6.6 | 111.6 | F4 C6 C7 F23 Y24 T56 | F4-R59 HydrophobicContact CB-CG 4.12Å; F4-R59 HydrophobicContact CD1-CG 4.38Å; F4-R59 HydrophobicContact CG-CG 4.26Å; C6-R59 WeakPolarHBondContact CA-O 3.17Å; C7-R59 PolarHBondContact N-O 3.48Å; C7-R59 PolarHBondContact SG-O 2.88Å; C7-R59 VanDerWaalsContact SG-O 3.41Å; F23-R59 HydrophobicContact CB-CB 4.2Å; F23-R59 HydrophobicContact CB-CG 4.49Å; F23-R59 HydrophobicContact CD1-CB 4.26Å; Y24-R59 WeakPolarHBondContact O-CA 3.32Å; Y24-R59 WeakPolarHBondContact O-CD 3.33Å; T56-R59 VanDerWaalsContact O-CZ 3.31Å; T56-R59 PolarHBondContact O-NH1 3.49Å; T56-R59 PolarHBondContact O-NH2 2.84Å |
| 60 | L | 84.5 | Confident | 70 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127.7 | 169.4 | -60.7 | -179.4 | 0 | 0 | 0 | 109.6 | C7 V8 F23 Y24 F26 W36 V40 F65 P77 | C7-L60 WeakPolarHBondContact SG-CD2 3.31Å; V8-L60 HydrophobicContact CG2-CD2 3.45Å; V8-L60 VanDerWaalsContact CG2-CD2 3.45Å; F23-L60 CarbonylContact C-O 3.57Å; Y24-L60 PolarHBondContact N-O 2.74Å; Y24-L60 PolarHBondContact O-N 3.39Å; F26-L60 HydrophobicContact CZ-CG 4.38Å; W36-L60 HydrophobicContact CD2-CD1 4.24Å; W36-L60 HydrophobicContact CE3-CD1 3.43Å; W36-L60 VanDerWaalsContact CE3-CD1 3.43Å; W36-L60 HydrophobicContact CE3-CG 4.42Å; W36-L60 HydrophobicContact CZ3-CD1 3.74Å; W36-L60 HydrophobicContact CZ3-CG 4.42Å; V40-L60 HydrophobicContact CG2-CD1 3.87Å; V40-L60 HydrophobicContact CG2-CD2 3.78Å; V40-L60 HydrophobicContact CG2-CG 4.49Å; L60-F65 HydrophobicContact CB-CE2 4.41Å; L60-P77 HydrophobicContact CD1-CB 4.43Å; L60-P77 HydrophobicContact CD1-CG 3.65Å |
| 61 | C | 85 | Confident | 70.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 155.1 | 173.7 | 71.8 | 0 | 0 | 0 | 0 | 111.7 | C6 N13 H22 F23 V63 H64 | C6-C61 HydrophobicContact CB-CB 4.26Å; C6-C61 PolarHBondContact SG-N 2.89Å; N13-C61 HydrophobicContact CB-CB 4.29Å; N13-C61 PolarHBondContact ND2-SG 2.74Å; H22-C61 CarbonylContact O-C 3.6Å; H22-C61 WeakPolarHBondContact O-CA 3.32Å; F23-C61 HydrophobicContact CD1-CB 4.01Å; F23-C61 HydrophobicContact CE1-CB 3.66Å; F23-C61 HydrophobicContact CE2-CB 4.39Å; F23-C61 HydrophobicContact CZ-CB 3.85Å; C61-V63 VanDerWaalsContact C-N 3.28Å; C61-V63 PolarHBondContact O-N 2.91Å; C61-V63 VanDerWaalsContact O-N 3.16Å; C61-H64 PolarHBondContact O-CD2 2.97Å; C61-H64 PolarHBondContact O-N 3.04Å |
| 62 | S | 85.2 | Confident | 71.3 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -67.7 | -19.3 | -163.8 | 69.8 | 0 | 0 | 0 | 0 | 115.6 | H22 H64 F65 G68 | H22-S62 WeakPolarHBondContact O-CB 3.44Å; H22-S62 PolarHBondContact O-N 3.42Å; S62-H64 PolarHBondContact O-N 3Å; S62-F65 PolarHBondContact O-N 2.99Å; S62-G68 CarbonylContact C-O 3.52Å; S62-G68 WeakPolarHBondContact CB-O 3.46Å; S62-G68 CarbonylContact O-C 3.53Å; S62-G68 WeakPolarHBondContact O-CA 3.38Å; S62-G68 VanDerWaalsContact O-O 3.13Å; S62-G68 PolarHBondContact OG-O 3.49Å |
| 63 | V | 81.7 | Confident | 71.4 | Confident | 58 Ų | 58 | 67 Ų | 67 | 35% | 0.352 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -64.9 | -15.9 | 178.4 | -61 | 0 | 0 | 0 | 0 | 114.7 | L21 C61 F65 | L21-V63 HydrophobicContact CD1-CG1 4.42Å; L21-V63 HydrophobicContact CD2-CG1 3.83Å; C61-V63 VanDerWaalsContact C-N 3.28Å; C61-V63 PolarHBondContact O-N 2.91Å; C61-V63 VanDerWaalsContact O-N 3.16Å; V63-F65 VanDerWaalsContact C-N 3.29Å |
| 64 | H | 79.8 | Confident | 71.5 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.028 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -81.3 | -8.3 | 177.1 | -62.7 | -61.2 | 0 | 0 | 0 | 113.8 | C11 C61 S62 P77 T78 I79 | C11-H64 PolarHBondContact SG-NE2 2.96Å; C61-H64 PolarHBondContact O-CD2 2.97Å; C61-H64 PolarHBondContact O-N 3.04Å; S62-H64 PolarHBondContact O-N 3Å; H64-P77 HydrophobicContact CB-CB 4.01Å; H64-P77 CarbonylContact O-C 3.6Å; H64-P77 VanDerWaalsContact O-CA 3.26Å; H64-P77 WeakPolarHBondContact O-CA 3.49Å; H64-P77 WeakPolarHBondContact O-CB 3.44Å; H64-T78 PolarHBondContact O-N 3.07Å; H64-I79 PolarHBondContact ND1-O 2.82Å; H64-I79 PolarHBondContact O-N 3.15Å |
| 65 | F | 80.6 | Confident | 71.8 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -93.7 | 141.5 | 173.5 | -61 | -94.2 | 0 | 0 | 0 | 109.3 | Y24 W36 L60 S62 V63 G67 G68 R69 K70 V74 P77 | Y24-F65 HydrophobicContact CD2-CD2 4.14Å; Y24-F65 AromaticContact CD2-CE2 3.62Å; Y24-F65 HydrophobicContact CD2-CE2 3.62Å; Y24-F65 HydrophobicContact CD2-CZ 4.17Å; Y24-F65 HydrophobicContact CE2-CD2 4.22Å; Y24-F65 HydrophobicContact CE2-CE2 4.16Å; W36-F65 HydrophobicContact CH2-CE1 4.02Å; W36-F65 AromaticContact CH2-CZ 3.54Å; W36-F65 HydrophobicContact CH2-CZ 3.54Å; W36-F65 AromaticContact CZ2-CE1 3.65Å; W36-F65 HydrophobicContact CZ2-CE1 3.65Å; W36-F65 AromaticContact CZ2-CZ 3.68Å; W36-F65 HydrophobicContact CZ2-CZ 3.68Å; W36-F65 HydrophobicContact CZ3-CZ 4.11Å; L60-F65 HydrophobicContact CB-CE2 4.41Å; S62-F65 PolarHBondContact O-N 2.99Å; V63-F65 VanDerWaalsContact C-N 3.29Å; F65-G67 PolarHBondContact O-N 3.26Å; F65-G68 PolarHBondContact O-N 3Å; F65-R69 WeakPolarHBondContact CB-O 3.45Å; F65-K70 HydrophobicContact CD1-CB 4.08Å; F65-K70 HydrophobicContact CD1-CG 4.2Å; F65-K70 HydrophobicContact CE1-CB 4.28Å; F65-K70 HydrophobicContact CE1-CD 4.5Å; F65-K70 HydrophobicContact CE1-CG 4.17Å; F65-K70 HydrophobicContact CG-CB 4.31Å; F65-V74 HydrophobicContact CB-CG1 4.09Å; F65-P77 HydrophobicContact CD1-CB 4.32Å; F65-P77 HydrophobicContact CE1-CB 4.06Å; F65-P77 HydrophobicContact CE1-CG 4.07Å; F65-P77 HydrophobicContact CE2-CB 4.33Å; F65-P77 HydrophobicContact CZ-CB 4.05Å; F65-P77 HydrophobicContact CZ-CG 4.01Å |
| 66 | Q | 65.2 | Low | 72.2 | Confident | 113 Ų | 113 | 62.9 Ų | 62.9 | 53% | 0.528 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 123.7 | 174.5 | -158.5 | 68.5 | 29.2 | 0 | 0 | 110.6 | V74 T78 | Q66-V74 HydrophobicContact CB-CG1 3.67Å; Q66-V74 HydrophobicContact CB-CG2 4.08Å; Q66-T78 PolarHBondContact OE1-OG1 2.86Å |
| 67 | G | 62 | Low | 72.6 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 79% | 0.794 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 7.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F65 R69 | F65-G67 PolarHBondContact O-N 3.26Å; G67-R69 VanDerWaalsContact C-N 3.25Å; G67-R69 PolarHBondContact O-N 2.91Å |
| 68 | G | 63.4 | Low | 72.5 | Confident | 25 Ų | 25 | 58 Ų | 58 | 26% | 0.258 | 31% | 0.305 | S | S | . | . | S | Bend | trans | 74.8 | 5.6 | 171 | 0 | 0 | 0 | 0 | 0 | 116.1 | S62 F65 | S62-G68 CarbonylContact C-O 3.52Å; S62-G68 WeakPolarHBondContact CB-O 3.46Å; S62-G68 CarbonylContact O-C 3.53Å; S62-G68 WeakPolarHBondContact O-CA 3.38Å; S62-G68 VanDerWaalsContact O-O 3.13Å; S62-G68 PolarHBondContact OG-O 3.49Å; F65-G68 PolarHBondContact O-N 3Å |
| 69 | R | 66.2 | Low | 71.8 | Confident | 131 Ų | 131 | 59 Ų | 59 | 49% | 0.494 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -143.8 | 152.5 | 175.5 | -69.5 | -178.3 | 172.9 | -92.5 | -16.1 | 109.5 | H22 F65 G67 | H22-R69 PolarHBondContact CD2-NH1 3.17Å; H22-R69 PolarHBondContact NE2-NH1 3.04Å; H22-R69 PolarHBondContact NE2-NH2 3.43Å; F65-R69 WeakPolarHBondContact CB-O 3.45Å; G67-R69 VanDerWaalsContact C-N 3.25Å; G67-R69 PolarHBondContact O-N 2.91Å |
| 70 | K | 67.3 | Low | 70.9 | Confident | 87 Ų | 87 | 58.8 Ų | 58.8 | 38% | 0.378 | 31% | 0.311 | S | S | . | . | trans | -78 | 125 | 172.2 | -176.4 | -172.7 | 176.1 | -173.9 | 0 | 109.4 | Y24 W36 F65 | Y24-K70 HydrophobicContact CD1-CD 4.45Å; Y24-K70 HydrophobicContact CD2-CB 4.32Å; Y24-K70 HydrophobicContact CE1-CB 3.98Å; Y24-K70 HydrophobicContact CE2-CB 3.74Å; Y24-K70 PolarHBondContact OH-N 3.48Å; W36-K70 HydrophobicContact CZ2-CD 4.47Å; F65-K70 HydrophobicContact CD1-CB 4.08Å; F65-K70 HydrophobicContact CD1-CG 4.2Å; F65-K70 HydrophobicContact CE1-CB 4.28Å; F65-K70 HydrophobicContact CE1-CD 4.5Å; F65-K70 HydrophobicContact CE1-CG 4.17Å; F65-K70 HydrophobicContact CG-CB 4.31Å | ||
| 71 | T | 69.8 | Low | 69.8 | Low | 75 Ų | 75 | 63 Ų | 63 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | trans | -122.2 | 163.5 | -178 | -56 | 0 | 0 | 0 | 0 | 109.9 | T73 V74 | T71-T73 PolarHBondContact O-N 3.39Å; T71-V74 PolarHBondContact N-O 2.98Å; T71-V74 CarbonylContact O-C 3.18Å; T71-V74 PolarHBondContact O-N 3.38Å; T71-V74 VanDerWaalsContact O-N 3.13Å | ||
| 72 | Y | 61.8 | Low | 68.4 | Low | 187 Ų | 187 | 70.7 Ų | 70.7 | 73% | 0.733 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -56.5 | -34.4 | -179.4 | -178.3 | -96.8 | 0 | 0 | 0 | 113.6 | R75 | Y72-R75 VanDerWaalsContact CE2-NH2 3.3Å; Y72-R75 WeakPolarHBondContact O-CG 3.26Å; Y72-R75 PolarHBondContact O-NE 3.41Å; Y72-R75 PolarHBondContact OH-NH2 2.71Å |
| 73 | T | 63.3 | Low | 66.6 | Low | 117 Ų | 117 | 76.2 Ų | 76.2 | 72% | 0.718 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -79.6 | -45.8 | 172.2 | 48.2 | 0 | 0 | 0 | 0 | 111.8 | T71 R75 | T71-T73 PolarHBondContact O-N 3.39Å; T73-R75 VanDerWaalsContact C-N 3.33Å; T73-R75 PolarHBondContact O-N 3.13Å |
| 74 | V | 63.2 | Low | 64.9 | Low | 32 Ų | 32 | 76.8 Ų | 76.8 | 19% | 0.194 | 42% | 0.417 | C | S | . | . | trans | -87.3 | 68.2 | -179.2 | -168.2 | 0 | 0 | 0 | 0 | 111 | F65 Q66 T71 | F65-V74 HydrophobicContact CB-CG1 4.09Å; Q66-V74 HydrophobicContact CB-CG1 3.67Å; Q66-V74 HydrophobicContact CB-CG2 4.08Å; T71-V74 PolarHBondContact N-O 2.98Å; T71-V74 CarbonylContact O-C 3.18Å; T71-V74 PolarHBondContact O-N 3.38Å; T71-V74 VanDerWaalsContact O-N 3.13Å | ||
| 75 | R | 68.4 | Low | 63.3 | Low | 112 Ų | 112 | 81.4 Ų | 81.4 | 42% | 0.423 | 45% | 0.445 | S | S | . | . | trans | -80.2 | -16.2 | 179.8 | -55.9 | -174.8 | -169.4 | 176.9 | 2.6 | 114.1 | L32 W36 Y72 T73 | L32-R75 HydrophobicContact CD1-CB 4.28Å; L32-R75 HydrophobicContact CD2-CB 4.44Å; W36-R75 WeakPolarHBondContact CZ2-O 3.25Å; W36-R75 PolarHBondContact NE1-O 3.34Å; Y72-R75 VanDerWaalsContact CE2-NH2 3.3Å; Y72-R75 WeakPolarHBondContact O-CG 3.26Å; Y72-R75 PolarHBondContact O-NE 3.41Å; Y72-R75 PolarHBondContact OH-NH2 2.71Å; T73-R75 VanDerWaalsContact C-N 3.33Å; T73-R75 PolarHBondContact O-N 3.13Å | ||
| 76 | V | 72.9 | Confident | 61.4 | Low | 29 Ų | 29 | 88.8 Ų | 88.8 | 18% | 0.176 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -118.6 | 133.1 | -169.5 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | L32 L35 N39 | L32-V76 HydrophobicContact CD1-CG2 3.64Å; L35-V76 HydrophobicContact CD2-CG1 4.09Å; L35-V76 HydrophobicContact CD2-CG2 3.66Å; L35-V76 HydrophobicContact CG-CG1 3.96Å; L35-V76 HydrophobicContact CG-CG2 4.3Å; N39-V76 VanDerWaalsContact ND2-CG1 3.31Å; N39-V76 WeakPolarHBondContact ND2-CG1 3.35Å |
| 77 | P | 72.9 | Confident | 60.4 | Low | 0 Ų | 0 | 91.1 Ų | 91.1 | 0% | 0 | 50% | 0.496 | C | S | . | . | trans | -70.4 | 135.6 | 169 | 20.1 | -16.1 | 0 | 0 | 0 | 109.3 | W36 N39 L60 H64 F65 F80 | W36-P77 HydrophobicContact CD2-CG 4.12Å; W36-P77 HydrophobicContact CG-CG 4.19Å; N39-P77 PolarHBondContact ND2-O 3.33Å; L60-P77 HydrophobicContact CD1-CB 4.43Å; L60-P77 HydrophobicContact CD1-CG 3.65Å; H64-P77 HydrophobicContact CB-CB 4.01Å; H64-P77 CarbonylContact O-C 3.6Å; H64-P77 VanDerWaalsContact O-CA 3.26Å; H64-P77 WeakPolarHBondContact O-CA 3.49Å; H64-P77 WeakPolarHBondContact O-CB 3.44Å; F65-P77 HydrophobicContact CD1-CB 4.32Å; F65-P77 HydrophobicContact CE1-CB 4.06Å; F65-P77 HydrophobicContact CE1-CG 4.07Å; F65-P77 HydrophobicContact CE2-CB 4.33Å; F65-P77 HydrophobicContact CZ-CB 4.05Å; F65-P77 HydrophobicContact CZ-CG 4.01Å; P77-F80 HydrophobicContact CB-CE2 3.97Å; P77-F80 HydrophobicContact CB-CZ 3.91Å; P77-F80 HydrophobicContact CG-CE2 4.47Å; P77-F80 HydrophobicContact CG-CZ 4.2Å; P77-F80 WeakPolarHBondContact O-CE2 3.42Å | ||
| 78 | T | 66.2 | Low | 59.5 | Low | 74 Ų | 74 | 98.3 Ų | 98.3 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | trans | -130.9 | -29.4 | -174 | 50.4 | 0 | 0 | 0 | 0 | 111.9 | H64 Q66 F80 | H64-T78 PolarHBondContact O-N 3.07Å; Q66-T78 PolarHBondContact OE1-OG1 2.86Å; T78-F80 VanDerWaalsContact C-N 3.34Å; T78-F80 PolarHBondContact O-N 3.18Å | ||
| 79 | I | 63.9 | Low | 58.5 | Low | 72 Ų | 72 | 106.1 Ų | 106.1 | 37% | 0.369 | 53% | 0.526 | S | S | . | . | trans | -84 | 82.3 | -179.3 | -53.9 | -178.4 | 0 | 0 | 0 | 109 | H64 | H64-I79 PolarHBondContact ND1-O 2.82Å; H64-I79 PolarHBondContact O-N 3.15Å | ||
| 80 | F | 66.6 | Low | 57.5 | Low | 36 Ų | 36 | 106.3 Ų | 106.3 | 16% | 0.158 | 54% | 0.541 | C | S | . | . | trans | -99.7 | 123.8 | 166.5 | -68.6 | -84.5 | 0 | 0 | 0 | 109 | V8 N39 V40 P77 T78 L82 | V8-F80 HydrophobicContact CB-CE1 4.42Å; V8-F80 HydrophobicContact CG1-CD1 3.59Å; V8-F80 HydrophobicContact CG1-CE1 3.79Å; V8-F80 HydrophobicContact CG2-CD1 4.39Å; V8-F80 HydrophobicContact CG2-CE1 3.73Å; N39-F80 HydrophobicContact CB-CD2 4.19Å; N39-F80 HydrophobicContact CB-CE2 3.52Å; N39-F80 HydrophobicContact CB-CZ 4.09Å; V40-F80 HydrophobicContact CB-CE1 4.22Å; V40-F80 HydrophobicContact CB-CZ 4.33Å; V40-F80 HydrophobicContact CG2-CE1 3.73Å; V40-F80 HydrophobicContact CG2-CZ 3.57Å; P77-F80 HydrophobicContact CB-CE2 3.97Å; P77-F80 HydrophobicContact CB-CZ 3.91Å; P77-F80 HydrophobicContact CG-CE2 4.47Å; P77-F80 HydrophobicContact CG-CZ 4.2Å; P77-F80 WeakPolarHBondContact O-CE2 3.42Å; T78-F80 VanDerWaalsContact C-N 3.34Å; T78-F80 PolarHBondContact O-N 3.18Å; F80-L82 PolarHBondContact O-N 3.33Å | ||
| 81 | P | 60.1 | Low | 56.5 | Low | 90 Ų | 90 | 106 Ų | 106 | 58% | 0.584 | 55% | 0.554 | S | S | * | * | trans | -61.7 | 93.3 | 159.1 | -16.9 | 31.3 | 0 | 0 | 0 | 107.3 | R83 | P81-R83 PolarHBondContact O-N 3.46Š| ||
| 82 | L | 54.9 | Low | 55.5 | Low | 161 Ų | 161 | 114 Ų | 114 | 84% | 0.843 | 58% | 0.577 | S | S | * | * | trans | -56.6 | 132.9 | 179.8 | -80.1 | 171.3 | 0 | 0 | 0 | 108.8 | F80 | F80-L82 PolarHBondContact O-N 3.33Š| ||
| 83 | R | 48.5 | Very low | 55 | Low | 119 Ų | 119 | 115.9 Ų | 115.9 | 45% | 0.449 | 58% | 0.582 | S | S | . | * | trans | -10.5 | 140.9 | -179.6 | -69.3 | 174.2 | 154.2 | 124.7 | -5.1 | 116.7 | R42 A43 G44 P81 V85 | R42-R83 PolarHBondContact O-NH2 3.18Å; R42-R83 VanDerWaalsContact O-NH2 3.08Å; A43-R83 VanDerWaalsContact C-NH2 3.33Å; A43-R83 VanDerWaalsContact O-CZ 3.24Å; A43-R83 PolarHBondContact O-NH1 2.94Å; A43-R83 PolarHBondContact O-NH2 2.82Å; G44-R83 VanDerWaalsContact C-NH2 3.32Å; G44-R83 PolarHBondContact O-NH2 3.03Å; P81-R83 PolarHBondContact O-N 3.46Å; R83-V85 HydrophobicContact CB-CG1 4.02Å; R83-V85 HydrophobicContact CB-CG2 4.37Å; R83-V85 PolarHBondContact O-N 3.41Å | ||
| 84 | G | 45.8 | Very low | 54.3 | Low | 70 Ų | 70 | 114.8 Ų | 114.8 | 72% | 0.722 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | 68.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 85 | V | 46.4 | Very low | 54.1 | Low | 102 Ų | 102 | 117.6 Ų | 117.6 | 62% | 0.618 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -26.4 | 165.5 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | R83 | R83-V85 HydrophobicContact CB-CG1 4.02Å; R83-V85 HydrophobicContact CB-CG2 4.37Å; R83-V85 PolarHBondContact O-N 3.41Å |
| 86 | N | 39.6 | Very low | 53.6 | Low | 155 Ų | 155 | 114.6 Ų | 114.6 | 83% | 0.829 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -95.9 | -37.2 | 175.6 | -69.7 | -14.1 | 0 | 0 | 0 | 112.4 | R88 | N86-R88 PolarHBondContact O-N 2.95Š|
| 87 | E | 45.8 | Very low | 53.2 | Low | 162 Ų | 162 | 115.8 Ų | 115.8 | 76% | 0.757 | 62% | 0.62 | S | S | * | * | trans | -75.5 | 76.2 | 163.7 | -72.1 | -150.9 | 126.4 | 0 | 0 | 110.9 | K89 | E87-K89 PolarHBondContact O-N 3.17Š| ||
| 88 | R | 42.6 | Very low | 52.9 | Low | 228 Ų | 228 | 118.8 Ų | 118.8 | 86% | 0.86 | 65% | 0.645 | S | S | * | * | trans | -62.1 | 78.7 | 145.6 | -76 | -177.6 | 173.5 | 178.6 | -2.1 | 107.6 | N86 V90 | N86-R88 PolarHBondContact O-N 2.95Å; R88-V90 WeakPolarHBondContact O-CA 3.26Å; R88-V90 PolarHBondContact O-N 3.08Å | ||
| 89 | K | 42.1 | Very low | 53.4 | Low | 190 Ų | 190 | 117.7 Ų | 117.7 | 83% | 0.826 | 64% | 0.643 | S | S | * | * | trans | -42 | 108.6 | 178.4 | -179.6 | 172.4 | -172.4 | 164.7 | 0 | 108.5 | E87 A91 | E87-K89 PolarHBondContact O-N 3.17Å; K89-A91 PolarHBondContact O-N 2.88Å | ||
| 90 | V | 44.7 | Very low | 54.1 | Low | 135 Ų | 135 | 116.8 Ų | 116.8 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | trans | -40.1 | 113.1 | -156.7 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | R88 R92 | R88-V90 WeakPolarHBondContact O-CA 3.26Å; R88-V90 PolarHBondContact O-N 3.08Å; V90-R92 PolarHBondContact O-N 3.12Å | ||
| 91 | A | 46.5 | Very low | 54.8 | Low | 79 Ų | 79 | 124.2 Ų | 124.2 | 65% | 0.653 | 67% | 0.674 | S | S | * | * | trans | -50.7 | 113.6 | -166.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | K89 R93 | K89-A91 PolarHBondContact O-N 2.88Å; A91-R93 PolarHBondContact O-N 2.78Å | ||
| 92 | R | 50.1 | Low | 56 | Low | 245 Ų | 245 | 129 Ų | 129 | 93% | 0.925 | 68% | 0.68 | S | S | * | * | trans | -50.5 | 110.7 | 178.6 | -81.9 | -176.1 | 167.6 | -173.4 | -3.9 | 106.6 | V90 | V90-R92 PolarHBondContact O-N 3.12Š| ||
| 93 | R | 49.8 | Very low | 57.6 | Low | 226 Ų | 226 | 130 Ų | 130 | 85% | 0.853 | 67% | 0.673 | S | S | * | * | trans | -42 | 116.5 | -168.4 | -72.1 | 170.1 | 61.3 | -137.8 | 1.8 | 108.5 | A91 A95 | A91-R93 PolarHBondContact O-N 2.78Å; R93-A95 PolarHBondContact O-N 3.5Å | ||
| 94 | P | 49.8 | Very low | 59.5 | Low | 94 Ų | 94 | 129.9 Ų | 129.9 | 61% | 0.61 | 68% | 0.677 | S | S | * | * | trans | -59.4 | 114 | -169.2 | 20.5 | -31.8 | 0 | 0 | 0 | 108.5 | G96 A97 | P94-G96 PolarHBondContact O-N 2.95Å; P94-A97 HydrophobicContact CG-CB 4.22Å; P94-A97 WeakPolarHBondContact O-CB 3.46Å; P94-A97 PolarHBondContact O-N 3.43Å | ||
| 95 | A | 57.4 | Low | 61.6 | Low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -29.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112 | R93 A97 | R93-A95 PolarHBondContact O-N 3.5Å; A95-A97 VanDerWaalsContact C-N 3.26Å; A95-A97 PolarHBondContact O-N 3.31Å |
| 96 | G | 58.1 | Low | 63.6 | Low | 48 Ų | 48 | 133.1 Ų | 133.1 | 50% | 0.495 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -60.3 | -23.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | P94 A98 A99 A100 | P94-G96 PolarHBondContact O-N 2.95Å; G96-A98 PolarHBondContact O-N 3.4Å; G96-A99 PolarHBondContact O-N 3.02Å; G96-A100 VanDerWaalsContact O-CB 3.25Å; G96-A100 WeakPolarHBondContact O-CB 3.3Å; G96-A100 PolarHBondContact O-N 2.96Å |
| 97 | A | 64.4 | Low | 66.1 | Low | 54 Ų | 54 | 131.5 Ų | 131.5 | 45% | 0.446 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68 | -33.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P94 A95 R101 | P94-A97 HydrophobicContact CG-CB 4.22Å; P94-A97 WeakPolarHBondContact O-CB 3.46Å; P94-A97 PolarHBondContact O-N 3.43Å; A95-A97 VanDerWaalsContact C-N 3.26Å; A95-A97 PolarHBondContact O-N 3.31Å; A97-R101 PolarHBondContact O-N 3.47Å |
| 98 | A | 68.5 | Low | 68.2 | Low | 63 Ų | 63 | 129.1 Ų | 129.1 | 52% | 0.521 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -74.6 | -39 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G96 R102 | G96-A98 PolarHBondContact O-N 3.4Å; A98-R102 PolarHBondContact O-N 2.97Å; A98-R102 VanDerWaalsContact O-N 3.1Å |
| 99 | A | 75.1 | Confident | 70.5 | Confident | 51 Ų | 51 | 123.5 Ų | 123.5 | 42% | 0.421 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.4 | -40.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G96 R102 R103 | G96-A99 PolarHBondContact O-N 3.02Å; A99-R102 PolarHBondContact O-N 3.01Å; A99-R103 WeakPolarHBondContact O-CG 3.4Å; A99-R103 PolarHBondContact O-N 2.78Å |
| 100 | A | 78.8 | Confident | 72.8 | Confident | 53 Ų | 53 | 120.3 Ų | 120.3 | 44% | 0.438 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -61.6 | -47.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G96 R102 R103 Q104 | G96-A100 VanDerWaalsContact O-CB 3.25Å; G96-A100 WeakPolarHBondContact O-CB 3.3Å; G96-A100 PolarHBondContact O-N 2.96Å; A100-R102 PolarHBondContact O-N 2.98Å; A100-R103 PolarHBondContact O-N 3.12Å; A100-Q104 WeakPolarHBondContact O-CB 3.06Å; A100-Q104 PolarHBondContact O-N 3.43Å |
| 101 | R | 82.1 | Confident | 75 | Confident | 192 Ų | 192 | 119.8 Ų | 119.8 | 73% | 0.725 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.7 | -43.3 | 174.6 | -75.8 | -177.5 | 175.8 | -123.3 | -0.9 | 112.2 | A97 Q104 Q105 | A97-R101 PolarHBondContact O-N 3.47Å; R101-Q104 PolarHBondContact O-N 2.86Å; R101-Q105 WeakPolarHBondContact O-CB 3.49Å; R101-Q105 PolarHBondContact O-N 3.22Å |
| 102 | R | 85.2 | Confident | 77 | Confident | 190 Ų | 190 | 121.8 Ų | 121.8 | 72% | 0.717 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.8 | -43.9 | 175.1 | -77.9 | -171.6 | 173.2 | -160.4 | -2 | 112.7 | A98 A99 A100 Q105 Q106 | A98-R102 PolarHBondContact O-N 2.97Å; A98-R102 VanDerWaalsContact O-N 3.1Å; A99-R102 PolarHBondContact O-N 3.01Å; A100-R102 PolarHBondContact O-N 2.98Å; R102-Q105 PolarHBondContact O-N 3.19Å; R102-Q106 WeakPolarHBondContact O-CG 3.43Å; R102-Q106 PolarHBondContact O-N 3.23Å |
| 103 | R | 87.4 | Confident | 78.9 | Confident | 183 Ų | 183 | 115.9 Ų | 115.9 | 69% | 0.691 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.5 | -45.2 | 176.1 | -75.8 | -178.2 | 173.7 | -168.3 | -2.9 | 112.1 | A99 A100 Q105 Q106 Q107 | A99-R103 WeakPolarHBondContact O-CG 3.4Å; A99-R103 PolarHBondContact O-N 2.78Å; A100-R103 PolarHBondContact O-N 3.12Å; R103-Q105 VanDerWaalsContact C-N 3.31Å; R103-Q105 PolarHBondContact O-N 3Å; R103-Q106 PolarHBondContact O-N 2.92Å; R103-Q107 WeakPolarHBondContact O-CG 3.36Å; R103-Q107 PolarHBondContact O-N 3.26Å |
| 104 | Q | 88.9 | Confident | 80.8 | Confident | 116 Ų | 116 | 111 Ų | 111 | 54% | 0.542 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.4 | -39.2 | 177.9 | -168.3 | 174.2 | 20.5 | 0 | 0 | 111.8 | A100 R101 Q107 Q108 | A100-Q104 WeakPolarHBondContact O-CB 3.06Å; A100-Q104 PolarHBondContact O-N 3.43Å; R101-Q104 PolarHBondContact O-N 2.86Å; Q104-Q107 PolarHBondContact O-N 2.89Å; Q104-Q108 WeakPolarHBondContact O-CG 3.36Å; Q104-Q108 PolarHBondContact O-N 3.18Å; Q104-Q108 VanDerWaalsContact O-N 3.13Å |
| 105 | Q | 89.7 | Confident | 82.6 | Confident | 120 Ų | 120 | 112.4 Ų | 112.4 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.3 | -37.3 | 177.7 | -157.9 | 168.2 | 24.5 | 0 | 0 | 112.4 | R101 R102 R103 Q108 Q109 | R101-Q105 WeakPolarHBondContact O-CB 3.49Å; R101-Q105 PolarHBondContact O-N 3.22Å; R102-Q105 PolarHBondContact O-N 3.19Å; R103-Q105 VanDerWaalsContact C-N 3.31Å; R103-Q105 PolarHBondContact O-N 3Å; Q105-Q108 PolarHBondContact O-N 3.38Å; Q105-Q109 WeakPolarHBondContact O-CG 3.34Å; Q105-Q109 PolarHBondContact O-N 3.46Å |
| 106 | Q | 89.7 | Confident | 84.1 | Confident | 120 Ų | 120 | 113.7 Ų | 113.7 | 56% | 0.561 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.6 | -40.8 | 172.3 | -75.1 | 179.8 | -46.7 | 0 | 0 | 112.5 | R102 R103 Q108 Q109 Q110 | R102-Q106 WeakPolarHBondContact O-CG 3.43Å; R102-Q106 PolarHBondContact O-N 3.23Å; R103-Q106 PolarHBondContact O-N 2.92Å; Q106-Q108 PolarHBondContact O-N 3.16Å; Q106-Q109 PolarHBondContact O-N 2.75Å; Q106-Q110 PolarHBondContact O-N 3.01Å |
| 107 | Q | 90.8 | Very high | 85.4 | Confident | 122 Ų | 122 | 117.1 Ų | 117.1 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.4 | -40.9 | 176.5 | -75.1 | 176.5 | -33.2 | 0 | 0 | 112.2 | R103 Q104 Q110 Q111 | R103-Q107 WeakPolarHBondContact O-CG 3.36Å; R103-Q107 PolarHBondContact O-N 3.26Å; Q104-Q107 PolarHBondContact O-N 2.89Å; Q107-Q110 PolarHBondContact O-N 3.19Å; Q107-Q111 PolarHBondContact O-N 2.81Å; Q107-Q111 VanDerWaalsContact O-N 3.11Å |
| 108 | Q | 90.4 | Very high | 86.4 | Confident | 111 Ų | 111 | 120.4 Ų | 120.4 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.7 | -40.3 | 175.4 | -73.9 | 177.8 | -20.7 | 0 | 0 | 112.5 | Q104 Q105 Q106 Q111 Q112 | Q104-Q108 WeakPolarHBondContact O-CG 3.36Å; Q104-Q108 PolarHBondContact O-N 3.18Å; Q104-Q108 VanDerWaalsContact O-N 3.13Å; Q105-Q108 PolarHBondContact O-N 3.38Å; Q106-Q108 PolarHBondContact O-N 3.16Å; Q108-Q111 PolarHBondContact O-N 3.49Å; Q108-Q112 WeakPolarHBondContact O-CG 3.48Å; Q108-Q112 PolarHBondContact O-N 3.46Å; Q108-Q112 VanDerWaalsContact O-N 3.14Å |
| 109 | Q | 90.3 | Very high | 87.2 | Confident | 111 Ų | 111 | 123.1 Ų | 123.1 | 52% | 0.519 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.2 | -39.6 | 176.2 | -73.5 | 178.7 | -17.9 | 0 | 0 | 112.5 | Q105 Q106 Q112 Q113 | Q105-Q109 WeakPolarHBondContact O-CG 3.34Å; Q105-Q109 PolarHBondContact O-N 3.46Å; Q106-Q109 PolarHBondContact O-N 2.75Å; Q109-Q112 PolarHBondContact O-N 2.86Å; Q109-Q113 WeakPolarHBondContact O-CG 3.47Å; Q109-Q113 PolarHBondContact O-N 3.08Å; Q109-Q113 VanDerWaalsContact O-N 3.13Å |
| 110 | Q | 90.4 | Very high | 87.5 | Confident | 122 Ų | 122 | 126.1 Ų | 126.1 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.9 | -40.4 | 176.2 | -73.2 | 179 | -15.2 | 0 | 0 | 112.4 | Q106 Q107 Q113 Q114 | Q106-Q110 PolarHBondContact O-N 3.01Å; Q107-Q110 PolarHBondContact O-N 3.19Å; Q110-Q113 PolarHBondContact O-N 2.83Å; Q110-Q114 WeakPolarHBondContact O-CG 3.48Å; Q110-Q114 PolarHBondContact O-N 3.07Å; Q110-Q114 VanDerWaalsContact O-N 3.11Å |
| 111 | Q | 90.6 | Very high | 87.5 | Confident | 124 Ų | 124 | 130 Ų | 130 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.4 | -40.8 | 175.5 | -73.8 | -179.8 | -16.3 | 0 | 0 | 112.4 | Q107 Q108 Q114 Q115 | Q107-Q111 PolarHBondContact O-N 2.81Å; Q107-Q111 VanDerWaalsContact O-N 3.11Å; Q108-Q111 PolarHBondContact O-N 3.49Å; Q111-Q114 PolarHBondContact O-N 2.96Å; Q111-Q115 PolarHBondContact O-N 2.89Å; Q111-Q115 VanDerWaalsContact O-N 3.12Å |
| 112 | Q | 90.1 | Very high | 87.1 | Confident | 122 Ų | 122 | 128 Ų | 128 | 57% | 0.57 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64 | -40.2 | 176.4 | -72.8 | 178.6 | -7.8 | 0 | 0 | 112.4 | Q108 Q109 Q115 Q116 | Q108-Q112 WeakPolarHBondContact O-CG 3.48Å; Q108-Q112 PolarHBondContact O-N 3.46Å; Q108-Q112 VanDerWaalsContact O-N 3.14Å; Q109-Q112 PolarHBondContact O-N 2.86Å; Q112-Q115 PolarHBondContact O-N 3.05Å; Q112-Q116 WeakPolarHBondContact O-CG 3.39Å; Q112-Q116 PolarHBondContact O-N 3.17Å; Q112-Q116 VanDerWaalsContact O-N 3.15Å |
| 113 | Q | 89.4 | Confident | 86.3 | Confident | 121 Ų | 121 | 126.8 Ų | 126.8 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.9 | -40 | 176.1 | -72.2 | 179.4 | -3.5 | 0 | 0 | 112.4 | Q109 Q110 Q116 Q117 | Q109-Q113 WeakPolarHBondContact O-CG 3.47Å; Q109-Q113 PolarHBondContact O-N 3.08Å; Q109-Q113 VanDerWaalsContact O-N 3.13Å; Q110-Q113 PolarHBondContact O-N 2.83Å; Q113-Q116 PolarHBondContact O-N 2.82Å; Q113-Q117 WeakPolarHBondContact O-CG 3.27Å; Q113-Q117 PolarHBondContact O-N 3.04Å; Q113-Q117 VanDerWaalsContact O-N 3.11Å |
| 114 | Q | 88.8 | Confident | 85.1 | Confident | 123 Ų | 123 | 125 Ų | 125 | 58% | 0.575 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.9 | -40.6 | 176 | -72.7 | 179.7 | -4.8 | 0 | 0 | 112.4 | Q110 Q111 Q117 Q118 | Q110-Q114 WeakPolarHBondContact O-CG 3.48Å; Q110-Q114 PolarHBondContact O-N 3.07Å; Q110-Q114 VanDerWaalsContact O-N 3.11Å; Q111-Q114 PolarHBondContact O-N 2.96Å; Q114-Q117 PolarHBondContact O-N 3.28Å; Q114-Q118 PolarHBondContact O-N 3.46Å; Q114-Q118 VanDerWaalsContact O-N 3.1Å |
| 115 | Q | 88.7 | Confident | 83.3 | Confident | 123 Ų | 123 | 127 Ų | 127 | 58% | 0.575 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.4 | -40.5 | 175.9 | -72.8 | -179.5 | -6.8 | 0 | 0 | 112.4 | Q111 Q112 Q118 Q119 | Q111-Q115 PolarHBondContact O-N 2.89Å; Q111-Q115 VanDerWaalsContact O-N 3.12Å; Q112-Q115 PolarHBondContact O-N 3.05Å; Q115-Q118 PolarHBondContact O-N 3.18Å; Q115-Q119 PolarHBondContact O-N 2.93Å; Q115-Q119 VanDerWaalsContact O-N 3.14Å |
| 116 | Q | 87.9 | Confident | 81.3 | Confident | 118 Ų | 118 | 127 Ų | 127 | 55% | 0.551 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.3 | -39.8 | 176.1 | -71.7 | 179.6 | -0.8 | 0 | 0 | 112.4 | Q112 Q113 Q119 Q120 | Q112-Q116 WeakPolarHBondContact O-CG 3.39Å; Q112-Q116 PolarHBondContact O-N 3.17Å; Q112-Q116 VanDerWaalsContact O-N 3.15Å; Q113-Q116 PolarHBondContact O-N 2.82Å; Q116-Q119 PolarHBondContact O-N 3.29Å; Q116-Q120 WeakPolarHBondContact O-CG 3.49Å; Q116-Q120 PolarHBondContact O-N 3.45Å; Q116-Q120 VanDerWaalsContact O-N 3.14Å |
| 117 | Q | 86.6 | Confident | 79.2 | Confident | 121 Ų | 121 | 126.3 Ų | 126.3 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65 | -39.7 | 176.1 | -71.4 | 179.5 | 3.5 | 0 | 0 | 112.4 | Q113 Q114 Q120 Q121 | Q113-Q117 WeakPolarHBondContact O-CG 3.27Å; Q113-Q117 PolarHBondContact O-N 3.04Å; Q113-Q117 VanDerWaalsContact O-N 3.11Å; Q114-Q117 PolarHBondContact O-N 3.28Å; Q117-Q120 PolarHBondContact O-N 2.85Å; Q117-Q121 WeakPolarHBondContact O-CG 3.31Å; Q117-Q121 PolarHBondContact O-N 3.49Å; Q117-Q121 VanDerWaalsContact O-N 3.08Å |
| 118 | Q | 85.6 | Confident | 77.1 | Confident | 123 Ų | 123 | 126.6 Ų | 126.6 | 58% | 0.575 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.9 | -40.3 | 176 | -72.5 | -179.8 | -1.2 | 0 | 0 | 112.4 | Q114 Q115 Q121 Q122 | Q114-Q118 PolarHBondContact O-N 3.46Å; Q114-Q118 VanDerWaalsContact O-N 3.1Å; Q115-Q118 PolarHBondContact O-N 3.18Å; Q118-Q121 PolarHBondContact O-N 3.46Å; Q118-Q122 PolarHBondContact O-N 3.03Å; Q118-Q122 VanDerWaalsContact O-N 3.09Å |
| 119 | Q | 84.3 | Confident | 74.8 | Confident | 119 Ų | 119 | 126.8 Ų | 126.8 | 56% | 0.556 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64 | -39.6 | 175.8 | -71.7 | 180 | 0.8 | 0 | 0 | 112.3 | Q115 Q116 Q122 Q123 | Q115-Q119 PolarHBondContact O-N 2.93Å; Q115-Q119 VanDerWaalsContact O-N 3.14Å; Q116-Q119 PolarHBondContact O-N 3.29Å; Q119-Q122 PolarHBondContact O-N 2.86Å; Q119-Q123 PolarHBondContact O-N 2.83Å |
| 120 | Q | 82.4 | Confident | 72.3 | Confident | 115 Ų | 115 | 125.9 Ų | 125.9 | 54% | 0.537 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -65.9 | -37.8 | 176 | -70.6 | 178.7 | 12.1 | 0 | 0 | 112.5 | Q116 Q117 Q123 Q124 | Q116-Q120 WeakPolarHBondContact O-CG 3.49Å; Q116-Q120 PolarHBondContact O-N 3.45Å; Q116-Q120 VanDerWaalsContact O-N 3.14Å; Q117-Q120 PolarHBondContact O-N 2.85Å; Q120-Q123 PolarHBondContact O-N 2.98Å; Q120-Q124 WeakPolarHBondContact O-CG 3.42Å; Q120-Q124 PolarHBondContact O-N 3.49Å |
| 121 | Q | 78.9 | Confident | 69.9 | Low | 133 Ų | 133 | 125.3 Ų | 125.3 | 62% | 0.621 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.3 | -36.7 | 176.4 | -72.2 | -179.1 | 5.6 | 0 | 0 | 112.8 | Q117 Q118 Q123 Q124 | Q117-Q121 WeakPolarHBondContact O-CG 3.31Å; Q117-Q121 PolarHBondContact O-N 3.49Å; Q117-Q121 VanDerWaalsContact O-N 3.08Å; Q118-Q121 PolarHBondContact O-N 3.46Å; Q121-Q123 VanDerWaalsContact C-N 3.32Å; Q121-Q123 PolarHBondContact O-N 2.9Å; Q121-Q124 PolarHBondContact O-N 3.32Å; Q121-Q124 VanDerWaalsContact O-N 3.14Å |
| 122 | Q | 73.8 | Confident | 67.8 | Low | 151 Ų | 151 | 125.8 Ų | 125.8 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.1 | -35.2 | 175.4 | -73.8 | -176.4 | -2.7 | 0 | 0 | 112.6 | Q118 Q119 Q124 | Q118-Q122 PolarHBondContact O-N 3.03Å; Q118-Q122 VanDerWaalsContact O-N 3.09Å; Q119-Q122 PolarHBondContact O-N 2.86Å; Q122-Q124 PolarHBondContact O-N 3.31Å |
| 123 | Q | 67.9 | Low | 65.4 | Low | 165 Ų | 165 | 124.4 Ų | 124.4 | 77% | 0.771 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -7.7 | 174.9 | -67.4 | 178.9 | 17.1 | 0 | 0 | 113.9 | Q119 Q120 Q121 | Q119-Q123 PolarHBondContact O-N 2.83Å; Q120-Q123 PolarHBondContact O-N 2.98Å; Q121-Q123 VanDerWaalsContact C-N 3.32Å; Q121-Q123 PolarHBondContact O-N 2.9Å |
| 124 | Q | 61.5 | Low | 63 | Low | 146 Ų | 146 | 127 Ų | 127 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 5.6 | -178.8 | -70 | 175 | 25.7 | 0 | 0 | 113.7 | Q120 Q121 Q122 P126 | Q120-Q124 WeakPolarHBondContact O-CG 3.42Å; Q120-Q124 PolarHBondContact O-N 3.49Å; Q121-Q124 PolarHBondContact O-N 3.32Å; Q121-Q124 VanDerWaalsContact O-N 3.14Å; Q122-Q124 PolarHBondContact O-N 3.31Å; Q124-P126 WeakPolarHBondContact O-CD 3.4Å |
| 125 | Q | 51.1 | Low | 60.6 | Low | 158 Ų | 158 | 127.8 Ų | 127.8 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -75.7 | 119.1 | 168.6 | -67.3 | -157.6 | 3.4 | 0 | 0 | 110.2 | S127 | Q125-S127 PolarHBondContact O-N 3.38Š|
| 126 | P | 48.3 | Very low | 58.1 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 123.1 | 174.5 | 29 | -33.5 | 0 | 0 | 0 | 109.4 | Q124 P128 | Q124-P126 WeakPolarHBondContact O-CD 3.4Å; P126-P128 WeakPolarHBondContact O-CD 3.37Å |
| 127 | S | 45.2 | Very low | 55.6 | Low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 119 | -177.9 | 54.3 | 0 | 0 | 0 | 0 | 111.8 | Q125 S129 | Q125-S127 PolarHBondContact O-N 3.38Å; S127-S129 PolarHBondContact O-N 3.03Å |
| 128 | P | 47.7 | Very low | 53.3 | Low | 129 Ų | 129 | 130.1 Ų | 130.1 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 121.2 | 171.5 | 29.7 | -32.2 | 0 | 0 | 0 | 110 | P126 | P126-P128 WeakPolarHBondContact O-CD 3.37Š|
| 129 | S | 40.6 | Very low | 51.2 | Low | 114 Ų | 114 | 132.6 Ų | 132.6 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -72 | 135.4 | -179.4 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | S127 | S127-S129 PolarHBondContact O-N 3.03Š|
| 130 | A | 38.3 | Very low | 49.6 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | 46.4 | 119.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 131 | S | 40.6 | Very low | 47.3 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | 168.2 | 123.3 | 110.9 | -73.9 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 132 | T | 45.5 | Very low | 45.4 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | 39.3 | 98.8 | 128.3 | -40.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 133 | A | 39.7 | Very low | 43.7 | Very low | 93 Ų | 93 | 134 Ų | 134 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -159.2 | 129.9 | 139.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 134 | Q | 40.3 | Very low | 42.2 | Very low | 175 Ų | 175 | 132 Ų | 132 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | 67.4 | 134.2 | 51.6 | -69.7 | -158.6 | -5.3 | 0 | 0 | 115.5 | |||||
| 135 | T | 37.5 | Very low | 41 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 74.9 | 132.8 | 171.6 | -53.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 136 | S | 36.6 | Very low | 40.7 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | cis | -165.5 | 152.4 | -22.6 | -163.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 137 | Q | 36.3 | Very low | 40.1 | Very low | 158 Ų | 158 | 127 Ų | 127 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | 32 | 120.7 | 152.9 | -65.1 | -73.8 | -1.9 | 0 | 0 | 121 | ||||
| 138 | L | 38.3 | Very low | 39.8 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | -178.6 | 96.8 | 110.2 | -97.1 | 166.9 | 0 | 0 | 0 | 114.8 | |||||
| 139 | Q | 39.7 | Very low | 39.1 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 62.3 | 160.7 | 147.8 | -73.1 | -162.4 | -9.9 | 0 | 0 | 122 | ||||
| 140 | P | 50.5 | Low | 38.7 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | trans | -130.1 | -168.4 | -142.7 | 46.4 | -32.8 | 0 | 0 | 0 | 117.3 | ||||
| 141 | N | 35.3 | Very low | 38.5 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | 74.1 | 90.1 | 175.1 | -69.2 | -18.6 | 0 | 0 | 0 | 115.7 | ||||
| 142 | L | 39.4 | Very low | 38.3 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | 70.5 | 92.4 | 71.7 | -64.2 | 174.2 | 0 | 0 | 0 | 113.5 | |||||
| 143 | V | 37.8 | Very low | 37.9 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 138.2 | 156.6 | -172.3 | 0 | 0 | 0 | 0 | 107.8 | ||
| 144 | S | 35.3 | Very low | 37.6 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63 | 143.2 | -172.2 | -164.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 145 | A | 37.3 | Very low | 37.2 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 156.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 146 | S | 43.7 | Very low | 36.9 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -48 | 144.1 | 177.5 | -44.6 | 0 | 0 | 0 | 0 | 115.7 | ||
| 147 | A | 37.1 | Very low | 36.8 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | -125 | 144.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 148 | A | 38.6 | Very low | 36.5 | Very low | 92 Ų | 92 | 130.8 Ų | 130.8 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -125.8 | -156.2 | -175 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 149 | V | 32.4 | Very low | 36.3 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 90 | 104.5 | 162 | -171 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 150 | L | 32.7 | Very low | 36 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 61.4 | 132.6 | 147.4 | -61 | 171 | 0 | 0 | 0 | 121.2 | ||||
| 151 | L | 34.3 | Very low | 35.1 | Very low | 179 Ų | 179 | 127.8 Ų | 127.8 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | trans | -136.7 | 128.6 | 142.5 | -149.1 | 76.4 | 0 | 0 | 0 | 109.1 | ||||
| 152 | T | 36.3 | Very low | 35 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | -112.5 | 169.6 | 179.2 | 46.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 153 | L | 36.2 | Very low | 35.2 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -71.5 | 173.3 | 172 | -46.2 | 82 | 0 | 0 | 0 | 109.9 | ||||
| 154 | Q | 34.9 | Very low | 34.9 | Very low | 165 Ų | 165 | 120.5 Ų | 120.5 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | cis | -170.3 | 152.2 | 12.2 | -146.4 | 156.6 | -23 | 0 | 0 | 111.3 | ||||
| 155 | A | 31.9 | Very low | 34.7 | Very low | 98 Ų | 98 | 120 Ų | 120 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | 62 | 170 | 155.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 156 | A | 30.9 | Very low | 34.7 | Very low | 81 Ų | 81 | 122 Ų | 122 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -158.3 | -171.4 | -3.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 157 | V | 33.6 | Very low | 34.8 | Very low | 146 Ų | 146 | 121.8 Ų | 121.8 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | 73.7 | 148.4 | 166.4 | -40.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 158 | D | 30.4 | Very low | 35.4 | Very low | 139 Ų | 139 | 122.1 Ų | 122.1 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | cis | -164.6 | 158.6 | -30.2 | 176.5 | 56.9 | 0 | 0 | 0 | 110 | ||||
| 159 | S | 33.3 | Very low | 35 | Very low | 93 Ų | 93 | 122.3 Ų | 122.3 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | 63.7 | 157.9 | 165.5 | -82.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 160 | S | 33.7 | Very low | 35.4 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -169.5 | 166.9 | -12.1 | -103.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 161 | Q | 31.4 | Very low | 35.4 | Very low | 176 Ų | 176 | 123.1 Ų | 123.1 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | cis | -160.2 | 165.8 | -1.2 | 163.1 | 176.8 | 7.1 | 0 | 0 | 108.1 | ||||
| 162 | A | 34.4 | Very low | 35.3 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | trans | -130.5 | 158.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 163 | P | 43.9 | Very low | 35.6 | Very low | 129 Ų | 129 | 121 Ų | 121 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | -146.6 | -178.4 | 100.8 | 38.1 | -20.4 | 0 | 0 | 0 | 113.2 | |||||
| 164 | G | 29.7 | Very low | 35.3 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | cis | -162.5 | -161 | 7.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 165 | S | 32.2 | Very low | 35.2 | Very low | 112 Ų | 112 | 116.6 Ų | 116.6 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -148.4 | -151.3 | -165.6 | 63.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 166 | V | 38 | Very low | 35.2 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | 77.8 | 152.5 | 173.1 | -87.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 167 | P | 44.2 | Very low | 35.6 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | -127.9 | -118.1 | -125.6 | 29.5 | -1.9 | 0 | 0 | 0 | 119.4 | |||||
| 168 | P | 49.4 | Very low | 35.8 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | -130.4 | 163.1 | -106 | 40.2 | -23.8 | 0 | 0 | 0 | 120.2 | |||||
| 169 | A | 31.1 | Very low | 36.3 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 66.9 | 171.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 170 | P | 39.9 | Very low | 36.7 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | cis | -127.5 | 165.7 | -23.7 | 39.2 | -25.9 | 0 | 0 | 0 | 114.3 | ||||
| 171 | I | 33.3 | Very low | 37 | Very low | 174 Ų | 174 | 130 Ų | 130 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | trans | -166.5 | 170.8 | 141.5 | 30 | 176.7 | 0 | 0 | 0 | 113.3 | ||||
| 172 | T | 33.4 | Very low | 37 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -69.2 | 170 | -173.4 | 52 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 173 | P | 41.5 | Very low | 37.1 | Very low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | -138.3 | 166.3 | 104 | 41 | -32 | 0 | 0 | 0 | 115.7 | |||||
| 174 | T | 30.8 | Very low | 36.6 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -67.8 | 155.7 | 157.5 | 46.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 175 | G | 31.5 | Very low | 36.7 | Very low | 72 Ų | 72 | 130.5 Ų | 130.5 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | cis | 143.2 | 102.2 | -1.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 176 | E | 33 | Very low | 36.5 | Very low | 206 Ų | 206 | 133.7 Ų | 133.7 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | trans | -137.3 | 157.3 | -178.8 | -65.6 | -169.2 | 127.6 | 0 | 0 | 111.6 | ||||
| 177 | D | 37.8 | Very low | 36.2 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -107.2 | 124 | -164.1 | -172.3 | -60.1 | 0 | 0 | 0 | 113 | ||||
| 178 | V | 38.2 | Very low | 35.5 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -142.9 | 125.4 | 154.6 | -173.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 179 | K | 42 | Very low | 34.4 | Very low | 175 Ų | 175 | 140 Ų | 140 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -59 | 146.8 | 176.5 | -89.7 | 175.8 | 173.2 | 171.1 | 0 | 114.2 | ||||
| 180 | P | 40.4 | Very low | 34.2 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | trans | -67.5 | 141.9 | 158.2 | 31.4 | -33.6 | 0 | 0 | 0 | 110.5 | D182 | P180-D182 PolarHBondContact O-N 3.33Š| ||
| 181 | I | 40.8 | Very low | 33.7 | Very low | 152 Ų | 152 | 138 Ų | 138 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -81.8 | 114.5 | 177.3 | -63.7 | 169.2 | 0 | 0 | 0 | 108.9 | L183 | I181-L183 HydrophobicContact CG2-CD1 4.12Å; I181-L183 HydrophobicContact CG2-CG 4.03Å | ||
| 182 | D | 32 | Very low | 33.5 | Very low | 121 Ų | 121 | 136.5 Ų | 136.5 | 65% | 0.647 | 78% | 0.779 | S | S | * | * | trans | -82.9 | 134.8 | 162.3 | -178.3 | 29.8 | 0 | 0 | 0 | 109.5 | P180 T184 | P180-D182 PolarHBondContact O-N 3.33Å; D182-T184 PolarHBondContact OD1-N 3.35Å; D182-T184 VanDerWaalsContact OD2-CG2 3.26Å; D182-T184 WeakPolarHBondContact OD2-CG2 3.38Å; D182-T184 PolarHBondContact OD2-OG1 2.9Å | ||
| 183 | L | 35.2 | Very low | 33.3 | Very low | 139 Ų | 139 | 140 Ų | 140 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | trans | -120.7 | 54.3 | -179.2 | -96.7 | 160.8 | 0 | 0 | 0 | 109.8 | I181 V185 | I181-L183 HydrophobicContact CG2-CD1 4.12Å; I181-L183 HydrophobicContact CG2-CG 4.03Å; L183-V185 PolarHBondContact O-N 2.98Å | ||
| 184 | T | 33.8 | Very low | 32.6 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 61% | 0.613 | 78% | 0.783 | S | S | * | * | trans | -65.2 | 79.6 | 165.2 | 30.4 | 0 | 0 | 0 | 0 | 110.3 | D182 Q186 | D182-T184 PolarHBondContact OD1-N 3.35Å; D182-T184 VanDerWaalsContact OD2-CG2 3.26Å; D182-T184 WeakPolarHBondContact OD2-CG2 3.38Å; D182-T184 PolarHBondContact OD2-OG1 2.9Å; T184-Q186 PolarHBondContact O-N 2.86Å | ||
| 185 | V | 32.4 | Very low | 32.4 | Very low | 115 Ų | 115 | 136 Ų | 136 | 70% | 0.697 | 78% | 0.784 | S | S | * | * | trans | -63 | 104.8 | 171.3 | 176.1 | 0 | 0 | 0 | 0 | 108.8 | L183 V187 | L183-V185 PolarHBondContact O-N 2.98Å; V185-V187 PolarHBondContact O-N 2.76Å | ||
| 186 | Q | 28.3 | Very low | 32.2 | Very low | 179 Ų | 179 | 137.3 Ų | 137.3 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -70 | 121.1 | 174.1 | -59.7 | 179.2 | 36 | 0 | 0 | 108.5 | T184 | T184-Q186 PolarHBondContact O-N 2.86Š| ||
| 187 | V | 31.8 | Very low | 31.9 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -88.9 | 107.6 | 171.4 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | V185 F189 | V185-V187 PolarHBondContact O-N 2.76Å; V187-F189 PolarHBondContact O-N 2.85Å | ||
| 188 | E | 28.2 | Very low | 31.3 | Very low | 182 Ų | 182 | 130 Ų | 130 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -67.6 | 116.4 | -177.3 | -163.1 | 174.2 | 149.2 | 0 | 0 | 110.7 | A190 | E188-A190 PolarHBondContact O-N 3.45Š| ||
| 189 | F | 26.1 | Very low | 30.8 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 82% | 0.82 | 79% | 0.785 | S | S | * | * | trans | -93 | 75.1 | -171.4 | -157.7 | -88 | 0 | 0 | 0 | 111.1 | V187 A191 | V187-F189 PolarHBondContact O-N 2.85Å; F189-A191 HydrophobicContact CD1-CB 4.21Å; F189-A191 HydrophobicContact CE1-CB 4.23Å; F189-A191 PolarHBondContact O-N 2.9Å | ||
| 190 | A | 27.5 | Very low | 30.2 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | -71.2 | 85.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E188 | E188-A190 PolarHBondContact O-N 3.45Š| ||
| 191 | A | 28.8 | Very low | 29.7 | Very low | 76 Ų | 76 | 123.1 Ų | 123.1 | 63% | 0.628 | 79% | 0.785 | S | S | * | * | trans | -86.9 | 122.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F189 | F189-A191 HydrophobicContact CD1-CB 4.21Å; F189-A191 HydrophobicContact CE1-CB 4.23Å; F189-A191 PolarHBondContact O-N 2.9Å | ||
| 192 | T | 29.3 | Very low | 29.3 | Very low | 144 Ų | 144 | 121.5 Ų | 121.5 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -128.9 | 122.5 | 162.5 | 44.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 193 | E | 30.5 | Very low | 29.1 | Very low | 200 Ų | 200 | 124.4 Ų | 124.4 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | -93.2 | 159.8 | 171.5 | -59.9 | -174.2 | 120.9 | 0 | 0 | 110.5 | ||||
| 194 | G | 27.1 | Very low | 28.9 | Very low | 72 Ų | 72 | 126.3 Ų | 126.3 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 123 | 123.4 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 195 | A | 26.6 | Very low | 28.7 | Very low | 106 Ų | 106 | 129.9 Ų | 129.9 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | trans | 65.3 | 160.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 196 | A | 26.1 | Very low | 28.5 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | 171.3 | 111 | -58.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 197 | A | 27.1 | Very low | 28.5 | Very low | 99 Ų | 99 | 124.3 Ų | 124.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -166.1 | 139.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 198 | A | 26.3 | Very low | 28.2 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | cis | 112.6 | 133.9 | 13.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 199 | A | 27.2 | Very low | 28.2 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | 64.5 | 151 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 200 | A | 29.9 | Very low | 28.2 | Very low | 93 Ų | 93 | 115.5 Ų | 115.5 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | cis | -148.5 | 149.2 | -12.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 201 | A | 28.1 | Very low | 28.2 | Very low | 93 Ų | 93 | 118.8 Ų | 118.8 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | cis | 86 | 78.8 | 42.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 202 | S | 32.4 | Very low | 28.1 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | 174.9 | 134.8 | 151 | -78.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 203 | E | 29 | Very low | 28 | Very low | 182 Ų | 182 | 120.8 Ų | 120.8 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | cis | 66.2 | 99.2 | 36.4 | -65.7 | -159.1 | 105.7 | 0 | 0 | 115.9 | ||||
| 204 | L | 30.4 | Very low | 28 | Very low | 179 Ų | 179 | 116.3 Ų | 116.3 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | -158.8 | -179.1 | 112.1 | -150 | 55.4 | 0 | 0 | 0 | 110.6 | |||||
| 205 | Q | 29.5 | Very low | 28 | Very low | 175 Ų | 175 | 121.4 Ų | 121.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -145.3 | 148.4 | -151.8 | -162.9 | 166 | -1.2 | 0 | 0 | 113.5 | ||||
| 206 | A | 27.8 | Very low | 28.1 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | 66.1 | 173.2 | 167 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 207 | A | 28.7 | Very low | 29 | Very low | 79 Ų | 79 | 122 Ų | 122 | 65% | 0.653 | 81% | 0.806 | S | S | * | * | cis | -152 | 145.1 | 4.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 208 | T | 25.6 | Very low | 29.4 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | trans | 49 | 140.1 | 137.5 | 57.4 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 209 | A | 28.8 | Very low | 29.6 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | 71.8 | 149.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 210 | G | 26.3 | Very low | 30.3 | Very low | 67 Ų | 67 | 125.4 Ų | 125.4 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | cis | 164.7 | 153.2 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 211 | L | 26.9 | Very low | 30.3 | Very low | 162 Ų | 162 | 129.4 Ų | 129.4 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | 65 | 126.8 | 165.2 | -62.1 | 169.2 | 0 | 0 | 0 | 119.8 | ||||
| 212 | E | 27 | Very low | 30.5 | Very low | 181 Ų | 181 | 131.9 Ų | 131.9 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 57 | 167.1 | 134.8 | -63 | -146.4 | 105.9 | 0 | 0 | 121.7 | ||||
| 213 | A | 27.4 | Very low | 30.5 | Very low | 81 Ų | 81 | 132 Ų | 132 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | cis | -170.6 | 142.6 | -39.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 214 | A | 29.9 | Very low | 31.1 | Very low | 106 Ų | 106 | 129.6 Ų | 129.6 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | trans | 178.8 | 148.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 215 | E | 27.8 | Very low | 31.3 | Very low | 179 Ų | 179 | 127.2 Ų | 127.2 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | -112.5 | 136.1 | 171.2 | -68.9 | 175.2 | 82.6 | 0 | 0 | 110.9 | ||||
| 216 | C | 27.6 | Very low | 31.7 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | 63.9 | 169.8 | 140.9 | -68.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 217 | P | 45.9 | Very low | 32.4 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | cis | -136.2 | -178.1 | -33.4 | 31.7 | -11.1 | 0 | 0 | 0 | 115.4 | ||||
| 218 | M | 34.3 | Very low | 32.8 | Very low | 175 Ų | 175 | 131.7 Ų | 131.7 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | trans | 74.4 | 69.8 | 141.3 | 75.1 | -170.7 | -165.8 | 0 | 0 | 124.8 | ||||
| 219 | G | 30.4 | Very low | 33.7 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 61.4 | -167.2 | 133.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 220 | P | 42.3 | Very low | 33.8 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | cis | -128.4 | 153.4 | -18.9 | 39.4 | -25.6 | 0 | 0 | 0 | 114 | ||||
| 221 | Q | 29.8 | Very low | 34.9 | Very low | 177 Ų | 177 | 134 Ų | 134 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -160.4 | 144.3 | 153.6 | -165.6 | 53.1 | 45 | 0 | 0 | 112.2 | ||||
| 222 | L | 32.3 | Very low | 35.7 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -94.4 | 128 | 174.6 | -175.6 | 81.6 | 0 | 0 | 0 | 110.6 | ||||
| 223 | V | 32.5 | Very low | 36.7 | Very low | 120 Ų | 120 | 130 Ų | 130 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -141.1 | 131.1 | 162.2 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | V225 | V223-V225 HydrophobicContact CG1-CG2 4.02Š| ||
| 224 | V | 41.9 | Very low | 37.6 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -93.4 | 122.5 | 170.1 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 225 | V | 34.8 | Very low | 38.7 | Very low | 130 Ų | 130 | 127.3 Ų | 127.3 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | trans | -130.7 | 136.4 | 165.4 | -174.6 | 0 | 0 | 0 | 0 | 106.9 | V223 | V223-V225 HydrophobicContact CG1-CG2 4.02Š| ||
| 226 | G | 37.2 | Very low | 39.6 | Very low | 62 Ų | 62 | 126.1 Ų | 126.1 | 64% | 0.639 | 76% | 0.756 | S | S | * | * | trans | -82.7 | 166.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 227 | E | 43.5 | Very low | 40.9 | Very low | 193 Ų | 193 | 126.6 Ų | 126.6 | 90% | 0.902 | 75% | 0.747 | S | S | * | * | trans | 26.4 | 106 | 158.5 | -54.7 | -159.8 | 112.3 | 0 | 0 | 118.9 | ||||
| 228 | E | 36 | Very low | 41.8 | Very low | 192 Ų | 192 | 126.7 Ų | 126.7 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | trans | -132 | 144.2 | 130.7 | -86.7 | -59 | 170 | 0 | 0 | 108.9 | F230 | E228-F230 PolarHBondContact O-N 3.48Š| ||
| 229 | G | 44.5 | Very low | 43.1 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -72.9 | 114.4 | -160.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 230 | F | 30.8 | Very low | 44.6 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | -82.8 | 121.3 | 160.1 | -165.6 | -91.2 | 0 | 0 | 0 | 108.9 | E228 D232 | E228-F230 PolarHBondContact O-N 3.48Å; F230-D232 PolarHBondContact O-N 2.86Å | ||
| 231 | P | 50.3 | Low | 45.2 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | trans | -71.6 | 95.3 | 174.7 | 29.2 | -32.5 | 0 | 0 | 0 | 108.5 | T233 | P231-T233 PolarHBondContact O-N 3.04Š| ||
| 232 | D | 43 | Very low | 46.3 | Very low | 137 Ų | 137 | 123.2 Ų | 123.2 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | trans | -54.8 | 123.6 | 174.1 | -172.9 | 12.6 | 0 | 0 | 0 | 108.9 | F230 G234 | F230-D232 PolarHBondContact O-N 2.86Å; D232-G234 PolarHBondContact O-N 3.34Å | ||
| 233 | T | 48.7 | Very low | 47.2 | Very low | 122 Ų | 122 | 123 Ų | 123 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -76.1 | 79.2 | 174.7 | 51.2 | 0 | 0 | 0 | 0 | 107.5 | P231 S235 | P231-T233 PolarHBondContact O-N 3.04Å; T233-S235 PolarHBondContact O-N 3.41Å | ||
| 234 | G | 46.3 | Very low | 48.4 | Very low | 51 Ų | 51 | 120.4 Ų | 120.4 | 53% | 0.526 | 72% | 0.724 | S | S | . | * | trans | -57.5 | 73.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D232 D236 | D232-G234 PolarHBondContact O-N 3.34Å; G234-D236 PolarHBondContact O-N 3.32Å | ||
| 235 | S | 52.1 | Low | 49.6 | Very low | 80 Ų | 80 | 116.2 Ų | 116.2 | 56% | 0.559 | 70% | 0.699 | S | S | * | * | trans | -71.8 | 83.4 | 159.5 | 170.3 | 0 | 0 | 0 | 0 | 106 | T233 H237 | T233-S235 PolarHBondContact O-N 3.41Å; S235-H237 PolarHBondContact O-N 2.93Å; S235-H237 PolarHBondContact OG-CE1 2.7Å; S235-H237 PolarHBondContact OG-ND1 2.96Å | ||
| 236 | D | 47.2 | Very low | 52 | Low | 153 Ų | 153 | 113.9 Ų | 113.9 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | trans | -59.8 | 78.6 | 176.1 | -75.6 | -37 | 0 | 0 | 0 | 110.7 | G234 S238 | G234-D236 PolarHBondContact O-N 3.32Å; D236-S238 PolarHBondContact O-N 2.92Å | ||
| 237 | H | 56.3 | Low | 54.5 | Low | 126 Ų | 126 | 118.2 Ų | 118.2 | 58% | 0.583 | 69% | 0.689 | S | S | * | * | trans | -61.9 | 117.5 | 162.5 | -68.4 | -21.5 | 0 | 0 | 0 | 106.4 | S235 Y239 S240 | S235-H237 PolarHBondContact O-N 2.93Å; S235-H237 PolarHBondContact OG-CE1 2.7Å; S235-H237 PolarHBondContact OG-ND1 2.96Å; H237-Y239 PolarHBondContact O-N 3.41Å; H237-S240 PolarHBondContact O-N 2.89Å; H237-S240 PolarHBondContact O-OG 3.47Å | ||
| 238 | S | 62.9 | Low | 56.5 | Low | 106 Ų | 106 | 115 Ų | 115 | 74% | 0.741 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 17.1 | -171.7 | -154.8 | 0 | 0 | 0 | 0 | 115.1 | D236 | D236-S238 PolarHBondContact O-N 2.92Š|
| 239 | Y | 61.9 | Low | 59.2 | Low | 183 Ų | 183 | 110 Ų | 110 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.6 | 2.3 | -173.6 | -42 | -65.3 | 0 | 0 | 0 | 112.2 | H237 L241 | H237-Y239 PolarHBondContact O-N 3.41Å; Y239-L241 PolarHBondContact O-N 3.33Å |
| 240 | S | 61.4 | Low | 61.5 | Low | 88 Ų | 88 | 109.8 Ų | 109.8 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | trans | -66.9 | 98.8 | 171.9 | -67.4 | 0 | 0 | 0 | 0 | 109.3 | H237 S242 | H237-S240 PolarHBondContact O-N 2.89Å; H237-S240 PolarHBondContact O-OG 3.47Å; S240-S242 PolarHBondContact O-N 3.32Å | ||
| 241 | L | 56.7 | Low | 64.5 | Low | 120 Ų | 120 | 105.9 Ų | 105.9 | 63% | 0.628 | 62% | 0.618 | S | S | * | * | trans | -68.1 | 99 | 174.3 | -59.7 | 178.7 | 0 | 0 | 0 | 108.5 | Y239 T245 L250 | Y239-L241 PolarHBondContact O-N 3.33Å; L241-T245 HydrophobicContact CB-CG2 4.41Å; L241-T245 HydrophobicContact CD2-CG2 4.15Å; L241-L250 HydrophobicContact CD1-CD2 4.27Å; L241-L250 HydrophobicContact CD2-CD2 3.87Å | ||
| 242 | S | 51.5 | Low | 66.5 | Low | 89 Ų | 89 | 107.5 Ų | 107.5 | 62% | 0.622 | 61% | 0.611 | S | S | * | * | trans | -60.2 | 140.7 | 171.3 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | S240 G244 T245 | S240-S242 PolarHBondContact O-N 3.32Å; S242-G244 VanDerWaalsContact C-N 3.28Å; S242-G244 PolarHBondContact O-N 2.93Å; S242-T245 PolarHBondContact O-N 2.8Å | ||
| 243 | S | 52.9 | Low | 69 | Low | 141 Ų | 141 | 105.4 Ų | 105.4 | 99% | 0.986 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 82 | -173.7 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 244 | G | 56 | Low | 71.3 | Confident | 66 Ų | 66 | 103.8 Ų | 103.8 | 68% | 0.68 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 163.3 | -7.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S242 T246 | S242-G244 VanDerWaalsContact C-N 3.28Å; S242-G244 PolarHBondContact O-N 2.93Å; G244-T246 PolarHBondContact O-N 3.41Å |
| 245 | T | 67.5 | Low | 73.6 | Confident | 43 Ų | 43 | 105.2 Ų | 105.2 | 26% | 0.264 | 58% | 0.577 | S | S | . | * | trans | -55.5 | 125.6 | 178.7 | 56 | 0 | 0 | 0 | 0 | 112.4 | L241 S242 | L241-T245 HydrophobicContact CB-CG2 4.41Å; L241-T245 HydrophobicContact CD2-CG2 4.15Å; S242-T245 PolarHBondContact O-N 2.8Å | ||
| 246 | T | 85.8 | Confident | 75.7 | Confident | 80 Ų | 80 | 105 Ų | 105 | 49% | 0.491 | 57% | 0.567 | S | S | . | * | trans | -77.3 | 157.4 | 178.8 | 64.8 | 0 | 0 | 0 | 0 | 112 | G244 E248 E249 L250 | G244-T246 PolarHBondContact O-N 3.41Å; T246-E248 VanDerWaalsContact C-N 3.27Å; T246-E248 PolarHBondContact O-N 3.19Å; T246-E249 PolarHBondContact O-N 2.8Å; T246-E249 VanDerWaalsContact O-N 3.14Å; T246-E249 WeakPolarHBondContact OG1-CB 3.29Å; T246-E249 PolarHBondContact OG1-N 3.27Å; T246-L250 WeakPolarHBondContact O-CG 3.24Å; T246-L250 PolarHBondContact O-N 3.07Å | ||
| 247 | E | 88.9 | Confident | 78.2 | Confident | 154 Ų | 154 | 102.4 Ų | 102.4 | 72% | 0.72 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.7 | -37.5 | 175.7 | -173.5 | 176.8 | 178 | 0 | 0 | 112.1 | E249 L250 L251 | E247-E249 VanDerWaalsContact C-N 3.34Å; E247-E249 PolarHBondContact O-N 2.82Å; E247-L250 PolarHBondContact O-N 3.43Å; E247-L251 HydrophobicContact CG-CD1 4.29Å; E247-L251 WeakPolarHBondContact O-CG 3.32Å; E247-L251 PolarHBondContact O-N 2.99Å |
| 248 | E | 87 | Confident | 80.1 | Confident | 125 Ų | 125 | 103.9 Ų | 103.9 | 58% | 0.584 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.1 | -39.5 | 175.6 | -161.4 | -154.7 | 119.2 | 0 | 0 | 112 | T246 L251 R252 | T246-E248 VanDerWaalsContact C-N 3.27Å; T246-E248 PolarHBondContact O-N 3.19Å; E248-L251 PolarHBondContact O-N 3.28Å; E248-R252 WeakPolarHBondContact O-CB 3.35Å; E248-R252 PolarHBondContact O-N 2.89Å; E248-R252 IonicContact OE1-CZ 3.35Å; E248-R252 IonicContact OE1-NH2 2.67Å; E248-R252 PolarHBondContact OE1-NH2 3.34Å |
| 249 | E | 91.4 | Very high | 81.8 | Confident | 88 Ų | 88 | 103.9 Ų | 103.9 | 41% | 0.411 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 176.7 | -174.8 | 170.3 | -151.3 | 0 | 0 | 112 | T246 E247 R252 K253 | T246-E249 PolarHBondContact O-N 2.8Å; T246-E249 VanDerWaalsContact O-N 3.14Å; T246-E249 WeakPolarHBondContact OG1-CB 3.29Å; T246-E249 PolarHBondContact OG1-N 3.27Å; E247-E249 VanDerWaalsContact C-N 3.34Å; E247-E249 PolarHBondContact O-N 2.82Å; E249-R252 WeakPolarHBondContact O-CB 3.49Å; E249-R252 PolarHBondContact O-N 3.06Å; E249-K253 VanDerWaalsContact O-CG 3.32Å; E249-K253 WeakPolarHBondContact O-CG 3.27Å; E249-K253 PolarHBondContact O-N 3Å |
| 250 | L | 92.8 | Very high | 83.5 | Confident | 67 Ų | 67 | 99.7 Ų | 99.7 | 35% | 0.351 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 172.2 | -66.7 | 173.4 | 0 | 0 | 0 | 111.6 | L241 T246 E247 R252 K253 L254 | L241-L250 HydrophobicContact CD1-CD2 4.27Å; L241-L250 HydrophobicContact CD2-CD2 3.87Å; T246-L250 WeakPolarHBondContact O-CG 3.24Å; T246-L250 PolarHBondContact O-N 3.07Å; E247-L250 PolarHBondContact O-N 3.43Å; L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 2.93Å; L250-K253 PolarHBondContact O-N 2.71Å; L250-L254 VanDerWaalsContact O-CG 3.32Å; L250-L254 WeakPolarHBondContact O-CG 3.43Å; L250-L254 PolarHBondContact O-N 2.94Å |
| 251 | L | 93.5 | Very high | 85.3 | Confident | 97 Ų | 97 | 100.4 Ų | 100.4 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 174.8 | -73 | 168.5 | 0 | 0 | 0 | 112 | E247 E248 L254 N255 | E247-L251 HydrophobicContact CG-CD1 4.29Å; E247-L251 WeakPolarHBondContact O-CG 3.32Å; E247-L251 PolarHBondContact O-N 2.99Å; E248-L251 PolarHBondContact O-N 3.28Å; L251-L254 PolarHBondContact O-N 3.21Å; L251-N255 PolarHBondContact O-N 2.7Å |
| 252 | R | 93.9 | Very high | 87.3 | Confident | 142 Ų | 142 | 97.2 Ų | 97.2 | 54% | 0.536 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 174.3 | -168.1 | -179 | -61.6 | -135.9 | 2.1 | 111.2 | E248 E249 L250 L254 N255 E256 | E248-R252 WeakPolarHBondContact O-CB 3.35Å; E248-R252 PolarHBondContact O-N 2.89Å; E248-R252 IonicContact OE1-CZ 3.35Å; E248-R252 IonicContact OE1-NH2 2.67Å; E248-R252 PolarHBondContact OE1-NH2 3.34Å; E249-R252 WeakPolarHBondContact O-CB 3.49Å; E249-R252 PolarHBondContact O-N 3.06Å; L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 2.93Å; R252-L254 VanDerWaalsContact C-N 3.35Å; R252-L254 PolarHBondContact O-N 3.12Å; R252-N255 PolarHBondContact O-N 3.27Å; R252-N255 VanDerWaalsContact O-N 3.17Å; R252-E256 WeakPolarHBondContact O-CG 3.24Å; R252-E256 PolarHBondContact O-N 2.94Å |
| 253 | K | 94.7 | Very high | 89.5 | Confident | 93 Ų | 93 | 98.9 Ų | 98.9 | 40% | 0.404 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 176.7 | -67.8 | -70.2 | 158.9 | -143.5 | 0 | 113.1 | E249 L250 E256 Q257 | E249-K253 VanDerWaalsContact O-CG 3.32Å; E249-K253 WeakPolarHBondContact O-CG 3.27Å; E249-K253 PolarHBondContact O-N 3Å; L250-K253 PolarHBondContact O-N 2.71Å; K253-E256 WeakPolarHBondContact CD-OE2 3.07Å; K253-E256 IonicContact NZ-OE1 3.71Å; K253-E256 PolarHBondContact NZ-OE1 3.43Å; K253-E256 IonicContact NZ-OE2 2.7Å; K253-E256 PolarHBondContact NZ-OE2 2.9Å; K253-E256 PolarHBondContact O-N 2.93Å; K253-Q257 WeakPolarHBondContact O-CG 3.45Å; K253-Q257 PolarHBondContact O-N 3.3Å |
| 254 | L | 95.8 | Very high | 91.7 | Very high | 87 Ų | 87 | 97.4 Ų | 97.4 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -34.4 | 173.9 | -73 | 170.4 | 0 | 0 | 0 | 112.6 | L250 L251 R252 R258 | L250-L254 VanDerWaalsContact O-CG 3.32Å; L250-L254 WeakPolarHBondContact O-CG 3.43Å; L250-L254 PolarHBondContact O-N 2.94Å; L251-L254 PolarHBondContact O-N 3.21Å; R252-L254 VanDerWaalsContact C-N 3.35Å; R252-L254 PolarHBondContact O-N 3.12Å; L254-R258 VanDerWaalsContact O-CG 3.3Å; L254-R258 WeakPolarHBondContact O-CG 3.28Å; L254-R258 PolarHBondContact O-N 3.45Å; L254-R258 VanDerWaalsContact O-N 3.12Å |
| 255 | N | 95.4 | Very high | 93.7 | Very high | 81 Ų | 81 | 101 Ų | 101 | 43% | 0.433 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.7 | -43.2 | 172.7 | -80.1 | -0.5 | 0 | 0 | 0 | 112.3 | L251 R252 Q257 R258 D259 | L251-N255 PolarHBondContact O-N 2.7Å; R252-N255 PolarHBondContact O-N 3.27Å; R252-N255 VanDerWaalsContact O-N 3.17Å; N255-Q257 PolarHBondContact O-N 2.98Å; N255-R258 WeakPolarHBondContact O-CB 3.36Å; N255-R258 PolarHBondContact O-N 2.91Å; N255-R258 PolarHBondContact OD1-NH1 3.04Å; N255-D259 PolarHBondContact O-N 3.3Å |
| 256 | E | 96.9 | Very high | 95.2 | Very high | 75 Ų | 75 | 103.8 Ų | 103.8 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -53.2 | -43.1 | 171.2 | -70.8 | 171.5 | -147.8 | 0 | 0 | 111.5 | R252 K253 D259 I260 | R252-E256 WeakPolarHBondContact O-CG 3.24Å; R252-E256 PolarHBondContact O-N 2.94Å; K253-E256 WeakPolarHBondContact CD-OE2 3.07Å; K253-E256 IonicContact NZ-OE1 3.71Å; K253-E256 PolarHBondContact NZ-OE1 3.43Å; K253-E256 IonicContact NZ-OE2 2.7Å; K253-E256 PolarHBondContact NZ-OE2 2.9Å; K253-E256 PolarHBondContact O-N 2.93Å; E256-D259 PolarHBondContact O-N 3.04Å; E256-I260 WeakPolarHBondContact O-CD1 3.25Å; E256-I260 VanDerWaalsContact O-CG1 3.25Å; E256-I260 WeakPolarHBondContact O-CG1 3.48Å; E256-I260 PolarHBondContact O-N 3.06Å |
| 257 | Q | 98.2 | Very high | 95.8 | Very high | 99 Ų | 99 | 106.3 Ų | 106.3 | 46% | 0.463 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 175.7 | -74.7 | -178.6 | 5.3 | 0 | 0 | 113.3 | K253 N255 L261 | K253-Q257 WeakPolarHBondContact O-CG 3.45Å; K253-Q257 PolarHBondContact O-N 3.3Å; N255-Q257 PolarHBondContact O-N 2.98Å; Q257-L261 WeakPolarHBondContact O-CB 3.29Å; Q257-L261 VanDerWaalsContact O-CG 3.26Å; Q257-L261 WeakPolarHBondContact O-CG 3.38Å; Q257-L261 PolarHBondContact O-N 3.28Å |
| 258 | R | 98.1 | Very high | 96.2 | Very high | 158 Ų | 158 | 103.6 Ų | 103.6 | 60% | 0.596 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 174.5 | -74 | 163 | 174.5 | 164.7 | -3.4 | 111.6 | L254 N255 L261 A262 | L254-R258 VanDerWaalsContact O-CG 3.3Å; L254-R258 WeakPolarHBondContact O-CG 3.28Å; L254-R258 PolarHBondContact O-N 3.45Å; L254-R258 VanDerWaalsContact O-N 3.12Å; N255-R258 WeakPolarHBondContact O-CB 3.36Å; N255-R258 PolarHBondContact O-N 2.91Å; N255-R258 PolarHBondContact OD1-NH1 3.04Å; R258-L261 PolarHBondContact O-N 3.4Å; R258-A262 PolarHBondContact O-N 2.77Å |
| 259 | D | 98.1 | Very high | 96.8 | Very high | 105 Ų | 105 | 105.1 Ų | 105.1 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.5 | -41.6 | 179.2 | -66.6 | -22.4 | 0 | 0 | 0 | 111.5 | N255 E256 L261 A262 L263 | N255-D259 PolarHBondContact O-N 3.3Å; E256-D259 PolarHBondContact O-N 3.04Å; D259-L261 VanDerWaalsContact C-N 3.34Å; D259-L261 PolarHBondContact O-N 3.11Å; D259-A262 PolarHBondContact O-N 2.99Å; D259-L263 WeakPolarHBondContact O-CB 3.41Å; D259-L263 WeakPolarHBondContact O-CG 3.46Å; D259-L263 PolarHBondContact O-N 2.86Å |
| 260 | I | 98.1 | Very high | 97.1 | Very high | 96 Ų | 96 | 107 Ų | 107 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 172.5 | -70 | 164.2 | 0 | 0 | 0 | 111 | E256 L263 M264 | E256-I260 WeakPolarHBondContact O-CD1 3.25Å; E256-I260 VanDerWaalsContact O-CG1 3.25Å; E256-I260 WeakPolarHBondContact O-CG1 3.48Å; E256-I260 PolarHBondContact O-N 3.06Å; I260-L263 PolarHBondContact O-N 2.84Å; I260-M264 HydrophobicContact CG2-SD 4.29Å; I260-M264 WeakPolarHBondContact O-CG 3.2Å; I260-M264 PolarHBondContact O-N 2.94Å |
| 261 | L | 98.1 | Very high | 97.4 | Very high | 103 Ų | 103 | 108.8 Ų | 108.8 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 176.5 | -74.6 | 168.4 | 0 | 0 | 0 | 111.8 | Q257 R258 D259 L263 M264 E265 | Q257-L261 WeakPolarHBondContact O-CB 3.29Å; Q257-L261 VanDerWaalsContact O-CG 3.26Å; Q257-L261 WeakPolarHBondContact O-CG 3.38Å; Q257-L261 PolarHBondContact O-N 3.28Å; R258-L261 PolarHBondContact O-N 3.4Å; D259-L261 VanDerWaalsContact C-N 3.34Å; D259-L261 PolarHBondContact O-N 3.11Å; L261-L263 PolarHBondContact O-N 2.69Å; L261-M264 PolarHBondContact O-N 3.27Å; L261-E265 WeakPolarHBondContact O-CG 3.46Å; L261-E265 PolarHBondContact O-N 3.01Å |
| 262 | A | 98.5 | Very high | 97.6 | Very high | 52 Ų | 52 | 109.5 Ų | 109.5 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R258 D259 M264 E265 V266 | R258-A262 PolarHBondContact O-N 2.77Å; D259-A262 PolarHBondContact O-N 2.99Å; A262-M264 PolarHBondContact O-N 3.42Å; A262-E265 PolarHBondContact O-N 3.3Å; A262-V266 WeakPolarHBondContact O-CG2 3.25Å; A262-V266 PolarHBondContact O-N 3.26Å |
| 263 | L | 98.6 | Very high | 97.9 | Very high | 125 Ų | 125 | 103.9 Ų | 103.9 | 65% | 0.654 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | 173 | -80.2 | 160.6 | 0 | 0 | 0 | 112 | D259 I260 L261 K267 | D259-L263 WeakPolarHBondContact O-CB 3.41Å; D259-L263 WeakPolarHBondContact O-CG 3.46Å; D259-L263 PolarHBondContact O-N 2.86Å; I260-L263 PolarHBondContact O-N 2.84Å; L261-L263 PolarHBondContact O-N 2.69Å; L263-K267 WeakPolarHBondContact O-CB 3.29Å; L263-K267 PolarHBondContact O-N 2.82Å |
| 264 | M | 98.2 | Very high | 98 | Very high | 110 Ų | 110 | 102.1 Ų | 102.1 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 175.6 | -74.2 | -176.2 | 67.9 | 0 | 0 | 112.3 | I260 L261 A262 K267 M268 | I260-M264 HydrophobicContact CG2-SD 4.29Å; I260-M264 WeakPolarHBondContact O-CG 3.2Å; I260-M264 PolarHBondContact O-N 2.94Å; L261-M264 PolarHBondContact O-N 3.27Å; A262-M264 PolarHBondContact O-N 3.42Å; M264-K267 PolarHBondContact O-N 2.87Å; M264-M268 VanDerWaalsContact O-CB 3.31Å; M264-M268 WeakPolarHBondContact O-CB 3.43Å; M264-M268 VanDerWaalsContact O-CG 3.27Å; M264-M268 WeakPolarHBondContact O-CG 3.43Å; M264-M268 PolarHBondContact O-N 3.17Å |
| 265 | E | 98.3 | Very high | 98.2 | Very high | 142 Ų | 142 | 101.9 Ų | 101.9 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -44.8 | 177.1 | -76.4 | -168.4 | -176.4 | 0 | 0 | 112.5 | L261 A262 M268 K269 | L261-E265 WeakPolarHBondContact O-CG 3.46Å; L261-E265 PolarHBondContact O-N 3.01Å; A262-E265 PolarHBondContact O-N 3.3Å; E265-M268 PolarHBondContact O-N 3.35Å; E265-K269 WeakPolarHBondContact O-CB 3.49Å; E265-K269 PolarHBondContact O-N 3.04Å |
| 266 | V | 98.8 | Very high | 98.3 | Very high | 100 Ų | 100 | 105.3 Ų | 105.3 | 61% | 0.606 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.9 | -49.4 | 175.2 | 172.3 | 0 | 0 | 0 | 0 | 110.3 | A262 M268 K269 E270 | A262-V266 WeakPolarHBondContact O-CG2 3.25Å; A262-V266 PolarHBondContact O-N 3.26Å; V266-M268 VanDerWaalsContact C-N 3.34Å; V266-M268 PolarHBondContact O-N 2.87Å; V266-K269 WeakPolarHBondContact O-CA 3.34Å; V266-K269 WeakPolarHBondContact O-CB 3.4Å; V266-K269 PolarHBondContact O-N 2.68Å; V266-E270 PolarHBondContact O-N 2.92Å |
| 267 | K | 98.4 | Very high | 98.4 | Very high | 133 Ų | 133 | 107.8 Ų | 107.8 | 58% | 0.578 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.6 | -38.8 | 178 | -167.9 | 166.2 | -172.1 | 166.9 | 0 | 112.4 | L263 M264 K269 E270 M271 | L263-K267 WeakPolarHBondContact O-CB 3.29Å; L263-K267 PolarHBondContact O-N 2.82Å; M264-K267 PolarHBondContact O-N 2.87Å; K267-K269 VanDerWaalsContact C-N 3.33Å; K267-K269 PolarHBondContact O-N 2.96Å; K267-E270 PolarHBondContact O-N 3.38Å; K267-M271 HydrophobicContact CG-SD 4.44Å; K267-M271 WeakPolarHBondContact O-CB 3.48Å; K267-M271 VanDerWaalsContact O-CG 3.27Å; K267-M271 WeakPolarHBondContact O-CG 3.44Å; K267-M271 PolarHBondContact O-N 3.33Å |
| 268 | M | 98.4 | Very high | 98.4 | Very high | 97 Ų | 97 | 108.5 Ų | 108.5 | 48% | 0.478 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -33.8 | 172.5 | -77.6 | -177.6 | 71.2 | 0 | 0 | 112.5 | M264 E265 V266 K272 | M264-M268 VanDerWaalsContact O-CB 3.31Å; M264-M268 WeakPolarHBondContact O-CB 3.43Å; M264-M268 VanDerWaalsContact O-CG 3.27Å; M264-M268 WeakPolarHBondContact O-CG 3.43Å; M264-M268 PolarHBondContact O-N 3.17Å; E265-M268 PolarHBondContact O-N 3.35Å; V266-M268 VanDerWaalsContact C-N 3.34Å; V266-M268 PolarHBondContact O-N 2.87Å; M268-K272 VanDerWaalsContact O-CB 3.29Å; M268-K272 WeakPolarHBondContact O-CB 3.32Å; M268-K272 VanDerWaalsContact O-CD 3.24Å; M268-K272 WeakPolarHBondContact O-CD 3.44Å; M268-K272 WeakPolarHBondContact O-CG 3.44Å; M268-K272 PolarHBondContact O-N 3.16Å |
| 269 | K | 98.6 | Very high | 98.5 | Very high | 158 Ų | 158 | 109 Ų | 109 | 69% | 0.687 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.5 | -41.1 | 176.6 | -169.2 | 177 | -179.5 | -179.6 | 0 | 111.3 | E265 V266 K267 G273 | E265-K269 WeakPolarHBondContact O-CB 3.49Å; E265-K269 PolarHBondContact O-N 3.04Å; V266-K269 WeakPolarHBondContact O-CA 3.34Å; V266-K269 WeakPolarHBondContact O-CB 3.4Å; V266-K269 PolarHBondContact O-N 2.68Å; K267-K269 VanDerWaalsContact C-N 3.33Å; K267-K269 PolarHBondContact O-N 2.96Å; K269-G273 PolarHBondContact O-N 3.26Å; K269-G273 VanDerWaalsContact O-N 3.07Å |
| 270 | E | 98.3 | Very high | 98.5 | Very high | 126 Ų | 126 | 110.1 Ų | 110.1 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61 | -54.8 | 171.3 | -170 | -156 | 148.7 | 0 | 0 | 111.3 | V266 K267 K272 G273 S274 | V266-E270 PolarHBondContact O-N 2.92Å; K267-E270 PolarHBondContact O-N 3.38Å; E270-K272 VanDerWaalsContact C-N 3.29Å; E270-K272 PolarHBondContact O-N 3.43Å; E270-G273 CarbonylContact O-C 3.56Å; E270-G273 WeakPolarHBondContact O-CA 3.4Å; E270-G273 PolarHBondContact O-N 3.45Å; E270-S274 PolarHBondContact O-N 3.4Å; E270-S274 PolarHBondContact O-OG 2.88Å |
| 271 | M | 98.6 | Very high | 98.5 | Very high | 106 Ų | 106 | 108 Ų | 108 | 52% | 0.522 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -57.7 | -39.1 | 177.5 | -71.3 | 177.7 | 74 | 0 | 0 | 112.5 | K267 G273 S274 I275 | K267-M271 HydrophobicContact CG-SD 4.44Å; K267-M271 WeakPolarHBondContact O-CB 3.48Å; K267-M271 VanDerWaalsContact O-CG 3.27Å; K267-M271 WeakPolarHBondContact O-CG 3.44Å; K267-M271 PolarHBondContact O-N 3.33Å; M271-G273 VanDerWaalsContact C-N 3.26Å; M271-G273 PolarHBondContact O-N 2.94Å; M271-S274 PolarHBondContact O-N 2.88Å; M271-I275 WeakPolarHBondContact O-CB 3.35Å; M271-I275 WeakPolarHBondContact O-CD1 3.25Å; M271-I275 VanDerWaalsContact O-CG1 3.25Å; M271-I275 WeakPolarHBondContact O-CG1 3.33Å; M271-I275 PolarHBondContact O-N 3.37Å |
| 272 | K | 98.5 | Very high | 98.5 | Very high | 112 Ų | 112 | 107 Ų | 107 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -32 | 171.7 | -74.6 | 162.8 | -169.9 | 169.2 | 0 | 111.9 | M268 E270 R276 | M268-K272 VanDerWaalsContact O-CB 3.29Å; M268-K272 WeakPolarHBondContact O-CB 3.32Å; M268-K272 VanDerWaalsContact O-CD 3.24Å; M268-K272 WeakPolarHBondContact O-CD 3.44Å; M268-K272 WeakPolarHBondContact O-CG 3.44Å; M268-K272 PolarHBondContact O-N 3.16Å; E270-K272 VanDerWaalsContact C-N 3.29Å; E270-K272 PolarHBondContact O-N 3.43Å; K272-R276 WeakPolarHBondContact O-CG 3.28Å; K272-R276 PolarHBondContact O-N 3.1Å; K272-R276 PolarHBondContact O-NH1 2.94Å |
| 273 | G | 98.5 | Very high | 98.5 | Very high | 23 Ų | 23 | 107 Ų | 107 | 24% | 0.237 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -64.2 | -55.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | K269 E270 M271 I275 R276 H277 | K269-G273 PolarHBondContact O-N 3.26Å; K269-G273 VanDerWaalsContact O-N 3.07Å; E270-G273 CarbonylContact O-C 3.56Å; E270-G273 WeakPolarHBondContact O-CA 3.4Å; E270-G273 PolarHBondContact O-N 3.45Å; M271-G273 VanDerWaalsContact C-N 3.26Å; M271-G273 PolarHBondContact O-N 2.94Å; G273-I275 VanDerWaalsContact C-N 3.31Å; G273-I275 PolarHBondContact O-N 2.88Å; G273-R276 WeakPolarHBondContact O-CA 3.39Å; G273-R276 WeakPolarHBondContact O-CB 3.22Å; G273-R276 PolarHBondContact O-N 3.32Å; G273-H277 PolarHBondContact O-N 2.95Å |
| 274 | S | 98.6 | Very high | 98.5 | Very high | 56 Ų | 56 | 107.4 Ų | 107.4 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.5 | -39.8 | 179.6 | -52.9 | 0 | 0 | 0 | 0 | 112.5 | E270 M271 R276 H277 L278 | E270-S274 PolarHBondContact O-N 3.4Å; E270-S274 PolarHBondContact O-OG 2.88Å; M271-S274 PolarHBondContact O-N 2.88Å; S274-R276 PolarHBondContact O-N 3.18Å; S274-H277 PolarHBondContact O-N 3.45Å; S274-L278 WeakPolarHBondContact O-CB 3.36Å; S274-L278 VanDerWaalsContact O-CG 3.28Å; S274-L278 WeakPolarHBondContact O-CG 3.46Å; S274-L278 PolarHBondContact O-N 3.47Å |
| 275 | I | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 106.8 Ų | 106.8 | 43% | 0.426 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -36.5 | 174.4 | -68.7 | 164.4 | 0 | 0 | 0 | 112.1 | M271 G273 R279 | M271-I275 WeakPolarHBondContact O-CB 3.35Å; M271-I275 WeakPolarHBondContact O-CD1 3.25Å; M271-I275 VanDerWaalsContact O-CG1 3.25Å; M271-I275 WeakPolarHBondContact O-CG1 3.33Å; M271-I275 PolarHBondContact O-N 3.37Å; G273-I275 VanDerWaalsContact C-N 3.31Å; G273-I275 PolarHBondContact O-N 2.88Å; I275-R279 WeakPolarHBondContact O-CG 3.49Å; I275-R279 PolarHBondContact O-N 2.88Å |
| 276 | R | 98.6 | Very high | 98.5 | Very high | 153 Ų | 153 | 106.9 Ų | 106.9 | 58% | 0.577 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -68 | -46 | 173.5 | -73.9 | -174.1 | -56.1 | -92.7 | 3.5 | 111.1 | K272 G273 S274 R279 L280 | K272-R276 WeakPolarHBondContact O-CG 3.28Å; K272-R276 PolarHBondContact O-N 3.1Å; K272-R276 PolarHBondContact O-NH1 2.94Å; G273-R276 WeakPolarHBondContact O-CA 3.39Å; G273-R276 WeakPolarHBondContact O-CB 3.22Å; G273-R276 PolarHBondContact O-N 3.32Å; S274-R276 PolarHBondContact O-N 3.18Å; R276-R279 PolarHBondContact O-N 3.34Å; R276-L280 WeakPolarHBondContact O-CG 3.35Å; R276-L280 PolarHBondContact O-N 2.92Å; R276-L280 VanDerWaalsContact O-N 3.12Å |
| 277 | H | 98.6 | Very high | 98.5 | Very high | 127 Ų | 127 | 107.6 Ų | 107.6 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -57.5 | -54.2 | 177.8 | 179.8 | -97.5 | 0 | 0 | 0 | 111.2 | G273 S274 R279 L280 T281 | G273-H277 PolarHBondContact O-N 2.95Å; S274-H277 PolarHBondContact O-N 3.45Å; H277-R279 VanDerWaalsContact C-N 3.27Å; H277-R279 PolarHBondContact O-N 3.3Å; H277-L280 WeakPolarHBondContact O-CB 3.45Å; H277-L280 PolarHBondContact O-N 2.89Å; H277-T281 PolarHBondContact O-N 3.04Å; H277-T281 PolarHBondContact O-OG1 3.43Å; H277-T281 VanDerWaalsContact O-OG1 3.06Å |
| 278 | L | 98.8 | Very high | 98.5 | Very high | 114 Ų | 114 | 104.3 Ų | 104.3 | 60% | 0.597 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -56.1 | -37.9 | 179.8 | -72 | 169.2 | 0 | 0 | 0 | 112.9 | S274 T281 E282 | S274-L278 WeakPolarHBondContact O-CB 3.36Å; S274-L278 VanDerWaalsContact O-CG 3.28Å; S274-L278 WeakPolarHBondContact O-CG 3.46Å; S274-L278 PolarHBondContact O-N 3.47Å; L278-T281 PolarHBondContact O-N 2.98Å; L278-E282 VanDerWaalsContact O-CB 3.25Å; L278-E282 WeakPolarHBondContact O-CB 3.35Å; L278-E282 PolarHBondContact O-N 3.41Å |
| 279 | R | 98.4 | Very high | 98.5 | Very high | 169 Ų | 169 | 104.4 Ų | 104.4 | 64% | 0.638 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.9 | -33.7 | 176 | -76 | 177 | 177.4 | -177.3 | 1.3 | 113.6 | I275 R276 H277 A283 | I275-R279 WeakPolarHBondContact O-CG 3.49Å; I275-R279 PolarHBondContact O-N 2.88Å; R276-R279 PolarHBondContact O-N 3.34Å; H277-R279 VanDerWaalsContact C-N 3.27Å; H277-R279 PolarHBondContact O-N 3.3Å; R279-A283 WeakPolarHBondContact O-CB 3.35Å; R279-A283 PolarHBondContact O-N 3.5Å |
| 280 | L | 98.8 | Very high | 98.5 | Very high | 127 Ų | 127 | 103.4 Ų | 103.4 | 67% | 0.665 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.3 | -41.7 | 173 | -67.6 | 169.9 | 0 | 0 | 0 | 110.6 | R276 H277 A283 K284 | R276-L280 WeakPolarHBondContact O-CG 3.35Å; R276-L280 PolarHBondContact O-N 2.92Å; R276-L280 VanDerWaalsContact O-N 3.12Å; H277-L280 WeakPolarHBondContact O-CB 3.45Å; H277-L280 PolarHBondContact O-N 2.89Å; L280-A283 PolarHBondContact O-N 3.34Å; L280-K284 PolarHBondContact O-N 3.42Å |
| 281 | T | 98.6 | Very high | 98.5 | Very high | 52 Ų | 52 | 101.4 Ų | 101.4 | 32% | 0.319 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -45.9 | 173 | -42.9 | 0 | 0 | 0 | 0 | 111.6 | H277 L278 A283 K284 L285 | H277-T281 PolarHBondContact O-N 3.04Å; H277-T281 PolarHBondContact O-OG1 3.43Å; H277-T281 VanDerWaalsContact O-OG1 3.06Å; L278-T281 PolarHBondContact O-N 2.98Å; T281-A283 PolarHBondContact O-N 2.99Å; T281-K284 PolarHBondContact O-N 3.01Å; T281-L285 HydrophobicContact CG2-CD1 4.02Å; T281-L285 HydrophobicContact CG2-CG 4.43Å; T281-L285 WeakPolarHBondContact O-CB 3.27Å; T281-L285 VanDerWaalsContact O-CG 3.32Å; T281-L285 WeakPolarHBondContact O-CG 3.48Å; T281-L285 PolarHBondContact O-N 3.38Å |
| 282 | E | 98.5 | Very high | 98.5 | Very high | 81 Ų | 81 | 101.9 Ų | 101.9 | 38% | 0.379 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.3 | -44.2 | 176.1 | -176 | -170 | -177.7 | 0 | 0 | 111.7 | L278 R286 | L278-E282 VanDerWaalsContact O-CB 3.25Å; L278-E282 WeakPolarHBondContact O-CB 3.35Å; L278-E282 PolarHBondContact O-N 3.41Å; E282-R286 VanDerWaalsContact CD-NH1 3.28Å; E282-R286 WeakPolarHBondContact O-CB 3.37Å; E282-R286 WeakPolarHBondContact O-CG 3.26Å; E282-R286 PolarHBondContact O-N 3.3Å; E282-R286 IonicContact OE1-CZ 2.69Å; E282-R286 IonicContact OE1-NH1 2.68Å; E282-R286 PolarHBondContact OE1-NH1 3Å; E282-R286 IonicContact OE1-NH2 3.2Å; E282-R286 PolarHBondContact OE1-NH2 3.13Å |
| 283 | A | 98.5 | Very high | 98.5 | Very high | 54 Ų | 54 | 100.7 Ų | 100.7 | 45% | 0.446 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -46 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R279 L280 T281 R286 E287 | R279-A283 WeakPolarHBondContact O-CB 3.35Å; R279-A283 PolarHBondContact O-N 3.5Å; L280-A283 PolarHBondContact O-N 3.34Å; T281-A283 PolarHBondContact O-N 2.99Å; A283-R286 PolarHBondContact O-N 2.96Å; A283-E287 PolarHBondContact O-N 3.48Å; A283-E287 VanDerWaalsContact O-N 3.11Å |
| 284 | K | 98.6 | Very high | 98.5 | Very high | 132 Ų | 132 | 106.8 Ų | 106.8 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -47 | 177.2 | -169.5 | -174.3 | -173.9 | -106.6 | 0 | 111.7 | L280 T281 R286 E287 E288 | L280-K284 PolarHBondContact O-N 3.42Å; T281-K284 PolarHBondContact O-N 3.01Å; K284-R286 VanDerWaalsContact C-N 3.3Å; K284-R286 PolarHBondContact O-N 3.3Å; K284-E287 WeakPolarHBondContact O-CA 3.39Å; K284-E287 WeakPolarHBondContact O-CB 3.41Å; K284-E287 PolarHBondContact O-N 3.11Å; K284-E288 WeakPolarHBondContact CE-OE1 3.42Å; K284-E288 IonicContact NZ-OE1 2.98Å; K284-E288 PolarHBondContact NZ-OE1 2.93Å; K284-E288 PolarHBondContact O-N 3.11Å |
| 285 | L | 98.6 | Very high | 98.5 | Very high | 98 Ų | 98 | 108.8 Ų | 108.8 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -35.1 | 178.3 | -70.1 | 172.7 | 0 | 0 | 0 | 112.1 | T281 E287 L289 | T281-L285 HydrophobicContact CG2-CD1 4.02Å; T281-L285 HydrophobicContact CG2-CG 4.43Å; T281-L285 WeakPolarHBondContact O-CB 3.27Å; T281-L285 VanDerWaalsContact O-CG 3.32Å; T281-L285 WeakPolarHBondContact O-CG 3.48Å; T281-L285 PolarHBondContact O-N 3.38Å; L285-E287 VanDerWaalsContact C-N 3.27Å; L285-E287 PolarHBondContact O-N 3.17Å; L285-L289 VanDerWaalsContact O-CB 3.29Å; L285-L289 WeakPolarHBondContact O-CB 3.45Å; L285-L289 PolarHBondContact O-N 2.95Å |
| 286 | R | 98.2 | Very high | 98.4 | Very high | 144 Ų | 144 | 110 Ų | 110 | 54% | 0.543 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.6 | -18.6 | 170.7 | -78 | -168.8 | -178.2 | 116.6 | 13.4 | 114.3 | E282 A283 K284 R290 | E282-R286 VanDerWaalsContact CD-NH1 3.28Å; E282-R286 WeakPolarHBondContact O-CB 3.37Å; E282-R286 WeakPolarHBondContact O-CG 3.26Å; E282-R286 PolarHBondContact O-N 3.3Å; E282-R286 IonicContact OE1-CZ 2.69Å; E282-R286 IonicContact OE1-NH1 2.68Å; E282-R286 PolarHBondContact OE1-NH1 3Å; E282-R286 IonicContact OE1-NH2 3.2Å; E282-R286 PolarHBondContact OE1-NH2 3.13Å; A283-R286 PolarHBondContact O-N 2.96Å; K284-R286 VanDerWaalsContact C-N 3.3Å; K284-R286 PolarHBondContact O-N 3.3Å; R286-R290 WeakPolarHBondContact O-CG 3.39Å; R286-R290 PolarHBondContact O-NE 3.47Å |
| 287 | E | 98.4 | Very high | 98.3 | Very high | 114 Ų | 114 | 104.8 Ų | 104.8 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -83.4 | -48.1 | 171.8 | -165.2 | 124 | -100.4 | 0 | 0 | 111.2 | A283 K284 L285 L289 R290 E291 | A283-E287 PolarHBondContact O-N 3.48Å; A283-E287 VanDerWaalsContact O-N 3.11Å; K284-E287 WeakPolarHBondContact O-CA 3.39Å; K284-E287 WeakPolarHBondContact O-CB 3.41Å; K284-E287 PolarHBondContact O-N 3.11Å; L285-E287 VanDerWaalsContact C-N 3.27Å; L285-E287 PolarHBondContact O-N 3.17Å; E287-L289 VanDerWaalsContact C-N 3.25Å; E287-L289 PolarHBondContact O-N 3.41Å; E287-R290 VanDerWaalsContact CA-NH2 3.31Å; E287-R290 VanDerWaalsContact CD-NH2 3.3Å; E287-R290 PolarHBondContact O-N 3Å; E287-R290 VanDerWaalsContact O-N 3.16Å; E287-R290 IonicContact OE1-CZ 3.73Å; E287-R290 IonicContact OE1-NH1 2.7Å; E287-R290 PolarHBondContact OE1-NH1 3.33Å; E287-R290 IonicContact OE1-NH2 2.68Å; E287-R290 PolarHBondContact OE1-NH2 2.74Å; E287-E291 PolarHBondContact O-N 3.11Å |
| 288 | E | 98.4 | Very high | 98.2 | Very high | 64 Ų | 64 | 103.1 Ų | 103.1 | 30% | 0.299 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.2 | -37.2 | 174.1 | -68.3 | -178.5 | -155.8 | 0 | 0 | 112.3 | K284 K292 | K284-E288 WeakPolarHBondContact CE-OE1 3.42Å; K284-E288 IonicContact NZ-OE1 2.98Å; K284-E288 PolarHBondContact NZ-OE1 2.93Å; K284-E288 PolarHBondContact O-N 3.11Å; E288-K292 WeakPolarHBondContact O-CB 3.22Å; E288-K292 WeakPolarHBondContact O-CD 3.37Å; E288-K292 WeakPolarHBondContact O-CG 3.49Å; E288-K292 PolarHBondContact O-N 3.14Å; E288-K292 IonicContact OE2-NZ 3.2Å |
| 289 | L | 98.5 | Very high | 98.1 | Very high | 99 Ų | 99 | 99.7 Ų | 99.7 | 52% | 0.518 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 174.8 | -172.2 | 66.2 | 0 | 0 | 0 | 111.6 | L285 E287 E291 K292 D293 | L285-L289 VanDerWaalsContact O-CB 3.29Å; L285-L289 WeakPolarHBondContact O-CB 3.45Å; L285-L289 PolarHBondContact O-N 2.95Å; E287-L289 VanDerWaalsContact C-N 3.25Å; E287-L289 PolarHBondContact O-N 3.41Å; L289-E291 VanDerWaalsContact C-N 3.32Å; L289-E291 PolarHBondContact O-N 3.39Å; L289-K292 PolarHBondContact O-N 3.39Å; L289-K292 VanDerWaalsContact O-N 3.17Å; L289-D293 VanDerWaalsContact O-CG 3.25Å; L289-D293 PolarHBondContact O-N 3.05Å |
| 290 | R | 98.4 | Very high | 98 | Very high | 138 Ų | 138 | 96.5 Ų | 96.5 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 178.2 | -81.3 | 179.2 | -72.6 | 131 | -6.6 | 112.7 | R286 E287 R294 | R286-R290 WeakPolarHBondContact O-CG 3.39Å; R286-R290 PolarHBondContact O-NE 3.47Å; E287-R290 VanDerWaalsContact CA-NH2 3.31Å; E287-R290 VanDerWaalsContact CD-NH2 3.3Å; E287-R290 PolarHBondContact O-N 3Å; E287-R290 VanDerWaalsContact O-N 3.16Å; E287-R290 IonicContact OE1-CZ 3.73Å; E287-R290 IonicContact OE1-NH1 2.7Å; E287-R290 PolarHBondContact OE1-NH1 3.33Å; E287-R290 IonicContact OE1-NH2 2.68Å; E287-R290 PolarHBondContact OE1-NH2 2.74Å; R290-R294 WeakPolarHBondContact O-CB 3.48Å; R290-R294 PolarHBondContact O-N 3.37Å |
| 291 | E | 98.5 | Very high | 97.9 | Very high | 84 Ų | 84 | 94.2 Ų | 94.2 | 39% | 0.393 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74.8 | -34 | 178.2 | -168.2 | 58.8 | -153 | 0 | 0 | 111.6 | E287 L289 R294 L295 | E287-E291 PolarHBondContact O-N 3.11Å; L289-E291 VanDerWaalsContact C-N 3.32Å; L289-E291 PolarHBondContact O-N 3.39Å; E291-R294 WeakPolarHBondContact O-CB 3.35Å; E291-R294 PolarHBondContact O-N 3.25Å; E291-R294 IonicContact OE1-NH1 3.33Å; E291-R294 PolarHBondContact OE1-NH1 3.19Å; E291-R294 WeakPolarHBondContact OE2-CD 3.41Å; E291-R294 IonicContact OE2-CZ 2.88Å; E291-R294 IonicContact OE2-NH1 3.93Å; E291-R294 PolarHBondContact OE2-NH1 3.29Å; E291-L295 HydrophobicContact CG-CD1 4.42Å; E291-L295 WeakPolarHBondContact O-CB 3.45Å; E291-L295 VanDerWaalsContact O-CG 3.27Å; E291-L295 WeakPolarHBondContact O-CG 3.45Å; E291-L295 PolarHBondContact O-N 3.11Å |
| 292 | K | 98.6 | Very high | 97.7 | Very high | 116 Ų | 116 | 97.9 Ų | 97.9 | 50% | 0.504 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 170.2 | -76 | 165.2 | -176.7 | 161.5 | 0 | 111.9 | E288 L289 R294 L295 L296 | E288-K292 WeakPolarHBondContact O-CB 3.22Å; E288-K292 WeakPolarHBondContact O-CD 3.37Å; E288-K292 WeakPolarHBondContact O-CG 3.49Å; E288-K292 PolarHBondContact O-N 3.14Å; E288-K292 IonicContact OE2-NZ 3.2Å; L289-K292 PolarHBondContact O-N 3.39Å; L289-K292 VanDerWaalsContact O-N 3.17Å; K292-R294 VanDerWaalsContact C-N 3.31Å; K292-R294 PolarHBondContact O-N 3.42Å; K292-L295 PolarHBondContact O-N 3.12Å; K292-L296 WeakPolarHBondContact O-CB 3.48Å; K292-L296 VanDerWaalsContact O-CG 3.28Å; K292-L296 WeakPolarHBondContact O-CG 3.49Å; K292-L296 PolarHBondContact O-N 3.37Å |
| 293 | D | 98.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 102.6 Ų | 102.6 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 175 | -68 | -26.9 | 0 | 0 | 0 | 111.4 | L289 L296 A297 | L289-D293 VanDerWaalsContact O-CG 3.25Å; L289-D293 PolarHBondContact O-N 3.05Å; D293-L296 PolarHBondContact O-N 3.4Å; D293-A297 WeakPolarHBondContact O-CB 3.47Å; D293-A297 PolarHBondContact O-N 3.36Å |
| 294 | R | 98.1 | Very high | 97.4 | Very high | 151 Ų | 151 | 108.1 Ų | 108.1 | 57% | 0.57 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -47 | 174.9 | -172.6 | -169.6 | -175.9 | -166.9 | 0.5 | 112.1 | R290 E291 K292 L296 A297 M298 | R290-R294 WeakPolarHBondContact O-CB 3.48Å; R290-R294 PolarHBondContact O-N 3.37Å; E291-R294 WeakPolarHBondContact O-CB 3.35Å; E291-R294 PolarHBondContact O-N 3.25Å; E291-R294 IonicContact OE1-NH1 3.33Å; E291-R294 PolarHBondContact OE1-NH1 3.19Å; E291-R294 WeakPolarHBondContact OE2-CD 3.41Å; E291-R294 IonicContact OE2-CZ 2.88Å; E291-R294 IonicContact OE2-NH1 3.93Å; E291-R294 PolarHBondContact OE2-NH1 3.29Å; K292-R294 VanDerWaalsContact C-N 3.31Å; K292-R294 PolarHBondContact O-N 3.42Å; R294-L296 VanDerWaalsContact C-N 3.35Å; R294-A297 PolarHBondContact O-N 3.1Å; R294-M298 WeakPolarHBondContact O-CG 3.46Å; R294-M298 PolarHBondContact O-N 3.4Å |
| 295 | L | 97.8 | Very high | 97.2 | Very high | 97 Ų | 97 | 107.5 Ų | 107.5 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 177.4 | -72.2 | 169.2 | 0 | 0 | 0 | 111.8 | E291 K292 M298 A299 | E291-L295 HydrophobicContact CG-CD1 4.42Å; E291-L295 WeakPolarHBondContact O-CB 3.45Å; E291-L295 VanDerWaalsContact O-CG 3.27Å; E291-L295 WeakPolarHBondContact O-CG 3.45Å; E291-L295 PolarHBondContact O-N 3.11Å; K292-L295 PolarHBondContact O-N 3.12Å; L295-M298 PolarHBondContact O-N 3.13Å; L295-A299 WeakPolarHBondContact O-CB 3.49Å; L295-A299 PolarHBondContact O-N 3.15Å |
| 296 | L | 97.5 | Very high | 96.6 | Very high | 109 Ų | 109 | 106.4 Ų | 106.4 | 57% | 0.571 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64 | -44 | 173.8 | -72.9 | 170.4 | 0 | 0 | 0 | 111.6 | K292 D293 R294 M298 A299 V300 | K292-L296 WeakPolarHBondContact O-CB 3.48Å; K292-L296 VanDerWaalsContact O-CG 3.28Å; K292-L296 WeakPolarHBondContact O-CG 3.49Å; K292-L296 PolarHBondContact O-N 3.37Å; D293-L296 PolarHBondContact O-N 3.4Å; R294-L296 VanDerWaalsContact C-N 3.35Å; L296-M298 VanDerWaalsContact C-N 3.35Å; L296-M298 PolarHBondContact O-N 3.35Å; L296-A299 PolarHBondContact O-N 3.11Å; L296-V300 WeakPolarHBondContact O-CG2 3.5Å; L296-V300 PolarHBondContact O-N 3.09Å |
| 297 | A | 97.1 | Very high | 95.4 | Very high | 44 Ų | 44 | 107.6 Ų | 107.6 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D293 R294 A299 V300 I301 | D293-A297 WeakPolarHBondContact O-CB 3.47Å; D293-A297 PolarHBondContact O-N 3.36Å; R294-A297 PolarHBondContact O-N 3.1Å; A297-A299 VanDerWaalsContact C-N 3.34Å; A297-A299 PolarHBondContact O-N 3.34Å; A297-V300 PolarHBondContact O-N 3.38Å; A297-I301 WeakPolarHBondContact O-CB 3.49Å; A297-I301 VanDerWaalsContact O-CG1 3.26Å; A297-I301 WeakPolarHBondContact O-CG1 3.49Å; A297-I301 PolarHBondContact O-N 3.14Å |
| 298 | M | 95.9 | Very high | 95.3 | Very high | 91 Ų | 91 | 107.3 Ų | 107.3 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.9 | -31.8 | 175.4 | -65.5 | -55.4 | 107.9 | 0 | 0 | 113 | R294 L295 L296 I301 R302 | R294-M298 WeakPolarHBondContact O-CG 3.46Å; R294-M298 PolarHBondContact O-N 3.4Å; L295-M298 PolarHBondContact O-N 3.13Å; L296-M298 VanDerWaalsContact C-N 3.35Å; L296-M298 PolarHBondContact O-N 3.35Å; M298-I301 HydrophobicContact CE-CD1 3.75Å; M298-R302 WeakPolarHBondContact O-CB 3.47Å; M298-R302 WeakPolarHBondContact O-CG 3.35Å; M298-R302 PolarHBondContact O-N 3.34Å; M298-R302 PolarHBondContact O-NE 3.46Å |
| 299 | A | 96.6 | Very high | 95.1 | Very high | 43 Ų | 43 | 109.6 Ų | 109.6 | 36% | 0.355 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.5 | -42.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L295 L296 A297 I301 R302 K303 | L295-A299 WeakPolarHBondContact O-CB 3.49Å; L295-A299 PolarHBondContact O-N 3.15Å; L296-A299 PolarHBondContact O-N 3.11Å; A297-A299 VanDerWaalsContact C-N 3.34Å; A297-A299 PolarHBondContact O-N 3.34Å; A299-I301 VanDerWaalsContact C-N 3.34Å; A299-R302 PolarHBondContact O-N 3.08Å; A299-K303 WeakPolarHBondContact O-CB 3.34Å; A299-K303 PolarHBondContact O-N 3.42Å |
| 300 | V | 96.9 | Very high | 94.9 | Very high | 102 Ų | 102 | 110.2 Ų | 110.2 | 62% | 0.618 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 173.5 | 170.9 | 0 | 0 | 0 | 0 | 111 | L296 A297 K304 | L296-V300 WeakPolarHBondContact O-CG2 3.5Å; L296-V300 PolarHBondContact O-N 3.09Å; A297-V300 PolarHBondContact O-N 3.38Å; V300-K304 WeakPolarHBondContact O-CB 3.49Å; V300-K304 PolarHBondContact O-N 3.31Å |
| 301 | I | 95.4 | Very high | 94.7 | Very high | 78 Ų | 78 | 108.5 Ų | 108.5 | 40% | 0.4 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.6 | -46.8 | 176.1 | -73.5 | 166.5 | 0 | 0 | 0 | 111.2 | A297 M298 A299 K304 H305 | A297-I301 WeakPolarHBondContact O-CB 3.49Å; A297-I301 VanDerWaalsContact O-CG1 3.26Å; A297-I301 WeakPolarHBondContact O-CG1 3.49Å; A297-I301 PolarHBondContact O-N 3.14Å; M298-I301 HydrophobicContact CE-CD1 3.75Å; A299-I301 VanDerWaalsContact C-N 3.34Å; I301-K304 PolarHBondContact O-N 3.43Å; I301-H305 PolarHBondContact O-N 3.32Å; I301-H305 PolarHBondContact O-ND1 3.4Å |
| 302 | R | 94.8 | Very high | 94.5 | Very high | 129 Ų | 129 | 110.1 Ų | 110.1 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.9 | -51.4 | 176.3 | -80.8 | -176.5 | -72.2 | 177.8 | -0.3 | 112 | M298 A299 K304 H305 G306 M307 | M298-R302 WeakPolarHBondContact O-CB 3.47Å; M298-R302 WeakPolarHBondContact O-CG 3.35Å; M298-R302 PolarHBondContact O-N 3.34Å; M298-R302 PolarHBondContact O-NE 3.46Å; A299-R302 PolarHBondContact O-N 3.08Å; R302-K304 PolarHBondContact O-N 3.14Å; R302-H305 CarbonylContact O-C 3.08Å; R302-H305 PolarHBondContact O-N 3.14Å; R302-G306 PolarHBondContact O-N 3.26Å; R302-G306 VanDerWaalsContact O-N 3.11Å; R302-M307 CarbonylContact C-O 3.34Å; R302-M307 VanDerWaalsContact C-O 3.26Å; R302-M307 HydrophobicContact CB-CB 4.13Å; R302-M307 WeakPolarHBondContact CB-O 3.33Å; R302-M307 HydrophobicContact CG-CB 4.11Å; R302-M307 HydrophobicContact CG-CE 4.34Å; R302-M307 PolarHBondContact O-N 3.43Å; R302-M307 VanDerWaalsContact O-N 3.11Å |
| 303 | K | 95.8 | Very high | 94.2 | Very high | 181 Ų | 181 | 109.7 Ų | 109.7 | 79% | 0.787 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -57.3 | -33.2 | 176.7 | -173.3 | 170.7 | -177.2 | 173.7 | 0 | 113.5 | A299 | A299-K303 WeakPolarHBondContact O-CB 3.34Å; A299-K303 PolarHBondContact O-N 3.42Å |
| 304 | K | 95.1 | Very high | 93.9 | Very high | 169 Ų | 169 | 111.3 Ų | 111.3 | 74% | 0.735 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.2 | -33.2 | 174.9 | -176.7 | -177.8 | 175.1 | -170.1 | 0 | 113 | V300 I301 R302 | V300-K304 WeakPolarHBondContact O-CB 3.49Å; V300-K304 PolarHBondContact O-N 3.31Å; I301-K304 PolarHBondContact O-N 3.43Å; R302-K304 PolarHBondContact O-N 3.14Å |
| 305 | H | 94.4 | Very high | 93.6 | Very high | 119 Ų | 119 | 108.2 Ų | 108.2 | 55% | 0.551 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -99.4 | 5.6 | -175.8 | -61.3 | 99.7 | 0 | 0 | 0 | 113.7 | I301 R302 M307 | I301-H305 PolarHBondContact O-N 3.32Å; I301-H305 PolarHBondContact O-ND1 3.4Å; R302-H305 CarbonylContact O-C 3.08Å; R302-H305 PolarHBondContact O-N 3.14Å; H305-M307 HydrophobicContact CB-CE 3.89Å |
| 306 | G | 87.1 | Confident | 93.3 | Very high | 76 Ų | 76 | 109.2 Ų | 109.2 | 78% | 0.784 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.3 | 24.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R302 | R302-G306 PolarHBondContact O-N 3.26Å; R302-G306 VanDerWaalsContact O-N 3.11Å |
| 307 | M | 72.5 | Confident | 92.9 | Very high | 169 Ų | 169 | 109.2 Ų | 109.2 | 83% | 0.833 | 58% | 0.578 | S | S | * | * | trans | -104.6 | 0 | 174.1 | -63.7 | -175.6 | -74.9 | 0 | 0 | 112 | R302 H305 | R302-M307 CarbonylContact C-O 3.34Å; R302-M307 VanDerWaalsContact C-O 3.26Å; R302-M307 HydrophobicContact CB-CB 4.13Å; R302-M307 WeakPolarHBondContact CB-O 3.33Å; R302-M307 HydrophobicContact CG-CB 4.11Å; R302-M307 HydrophobicContact CG-CE 4.34Å; R302-M307 PolarHBondContact O-N 3.43Å; R302-M307 VanDerWaalsContact O-N 3.11Å; H305-M307 HydrophobicContact CB-CE 3.89Å |
Retrieved 307 of 307 residues in 1450.6 ms
(Link to these results)