| 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 | 51.7 | Low | 57.9 | Low | 238 Ų | 238 | 143 Ų | 143 | 100% | 1.172 | 77% | 0.767 | S | S | * | * | 0 | 71.5 | 0 | 44.8 | -71.7 | -166.6 | 0 | 0 | 109.8 | |||||
| 2 | A | 56.3 | Low | 58.3 | Low | 87 Ų | 87 | 139.3 Ų | 139.3 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | trans | -156 | 25.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3 | E | 58.9 | Low | 58.8 | Low | 199 Ų | 199 | 133.9 Ų | 133.9 | 93% | 0.93 | 75% | 0.746 | S | S | * | * | trans | -117 | 18 | -164.5 | -53.5 | -154.2 | 104.7 | 0 | 0 | 115.4 | ||||
| 4 | V | 56.8 | Low | 59.2 | Low | 140 Ų | 140 | 130.7 Ų | 130.7 | 85% | 0.848 | 72% | 0.721 | S | S | * | * | trans | -137.1 | 59.6 | 175.9 | 70.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 5 | V | 59 | Low | 59.9 | Low | 136 Ų | 136 | 126.9 Ų | 126.9 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -132.4 | 41.3 | 167.8 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 6 | D | 53.8 | Low | 60.8 | Low | 135 Ų | 135 | 125.3 Ų | 125.3 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | trans | -163.6 | 125.8 | 154.6 | -156.1 | -98.6 | 0 | 0 | 0 | 113.3 | ||||
| 7 | K | 57 | Low | 61.7 | Low | 203 Ų | 203 | 125.9 Ų | 125.9 | 88% | 0.883 | 69% | 0.694 | S | S | * | * | trans | 177.3 | 57.9 | 151.5 | -95.2 | 157.9 | -166.8 | -85.1 | 0 | 107.3 | ||||
| 8 | V | 67.1 | Low | 62.8 | Low | 92 Ų | 92 | 119.6 Ų | 119.6 | 56% | 0.558 | 66% | 0.66 | S | S | * | * | trans | -104 | 113.6 | 164.9 | 72.8 | 0 | 0 | 0 | 0 | 108.1 | K10 F14 | V8-K10 VanDerWaalsContact C-N 3.29Å; V8-K10 PolarHBondContact O-N 2.89Å; V8-F14 HydrophobicContact CG1-CE1 4.15Å | ||
| 9 | Q | 61.6 | Low | 63.8 | Low | 190 Ų | 190 | 116.6 Ų | 116.6 | 89% | 0.888 | 65% | 0.646 | S | S | * | * | trans | -64.1 | 90.9 | 173.8 | -63 | 166.4 | -90.2 | 0 | 0 | 107.6 | S11 | Q9-S11 PolarHBondContact O-N 3.42Š| ||
| 10 | K | 54.6 | Low | 64.7 | Low | 67 Ų | 67 | 110.9 Ų | 110.9 | 29% | 0.291 | 61% | 0.614 | S | S | . | * | trans | -77.2 | 88.8 | -166.3 | -176 | 145.4 | -162.4 | 168.2 | 0 | 111.6 | V8 F14 L15 T18 | V8-K10 VanDerWaalsContact C-N 3.29Å; V8-K10 PolarHBondContact O-N 2.89Å; K10-F14 HydrophobicContact CB-CD1 4.41Å; K10-F14 HydrophobicContact CD-CD1 3.5Å; K10-F14 HydrophobicContact CD-CE1 3.96Å; K10-F14 HydrophobicContact CG-CB 4.28Å; K10-F14 HydrophobicContact CG-CD1 3.68Å; K10-F14 HydrophobicContact CG-CG 4.46Å; K10-L15 HydrophobicContact CD-CD2 3.92Å; K10-L15 HydrophobicContact CD-CG 4.26Å; K10-L15 HydrophobicContact CG-CD2 4.27Å; K10-L15 HydrophobicContact CG-CG 4.08Å; K10-T18 WeakPolarHBondContact CE-OG1 3.3Å; K10-T18 PolarHBondContact NZ-OG1 3.01Å | ||
| 11 | S | 60.1 | Low | 65.2 | Low | 86 Ų | 86 | 114.1 Ų | 114.1 | 60% | 0.601 | 62% | 0.618 | S | S | * | * | trans | -56.7 | 143.7 | 165.1 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | Q9 A13 F14 | Q9-S11 PolarHBondContact O-N 3.42Å; S11-A13 PolarHBondContact O-N 3.33Å; S11-F14 WeakPolarHBondContact O-CA 3.37Å; S11-F14 WeakPolarHBondContact O-CB 3.18Å; S11-F14 PolarHBondContact O-N 3.25Å | ||
| 12 | S | 63 | Low | 66.3 | Low | 98 Ų | 98 | 103.9 Ų | 103.9 | 69% | 0.685 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -51.9 | -29.6 | -178.2 | 43.4 | 0 | 0 | 0 | 0 | 114.6 | F14 L15 | S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 3.31Å; S12-L15 WeakPolarHBondContact O-CB 3.4Å; S12-L15 PolarHBondContact O-N 3.2Å; S12-L15 VanDerWaalsContact O-N 3.17Å |
| 13 | A | 64.5 | Low | 67.4 | Low | 70 Ų | 70 | 101.4 Ų | 101.4 | 58% | 0.579 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -28.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | S11 T16 L17 | S11-A13 PolarHBondContact O-N 3.33Å; A13-T16 PolarHBondContact O-OG1 3.45Å; A13-L17 PolarHBondContact O-N 3.4Å |
| 14 | F | 64.9 | Low | 68.3 | Low | 89 Ų | 89 | 102.2 Ų | 102.2 | 39% | 0.39 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -74.9 | -29.3 | 174.2 | -176.3 | -122.4 | 0 | 0 | 0 | 111.4 | V8 K10 S11 S12 T16 L17 T18 | V8-F14 HydrophobicContact CG1-CE1 4.15Å; K10-F14 HydrophobicContact CB-CD1 4.41Å; K10-F14 HydrophobicContact CD-CD1 3.5Å; K10-F14 HydrophobicContact CD-CE1 3.96Å; K10-F14 HydrophobicContact CG-CB 4.28Å; K10-F14 HydrophobicContact CG-CD1 3.68Å; K10-F14 HydrophobicContact CG-CG 4.46Å; S11-F14 WeakPolarHBondContact O-CA 3.37Å; S11-F14 WeakPolarHBondContact O-CB 3.18Å; S11-F14 PolarHBondContact O-N 3.25Å; S12-F14 VanDerWaalsContact C-N 3.27Å; S12-F14 PolarHBondContact O-N 3.31Å; F14-T16 PolarHBondContact O-N 3.43Å; F14-L17 CarbonylContact O-C 3.17Å; F14-L17 PolarHBondContact O-N 3.39Å; F14-T18 WeakPolarHBondContact CE1-OG1 3.17Å; F14-T18 VanDerWaalsContact O-CB 3.29Å; F14-T18 WeakPolarHBondContact O-CB 3.18Å; F14-T18 PolarHBondContact O-N 3.38Å; F14-T18 PolarHBondContact O-OG1 3.48Å |
| 15 | L | 69 | Low | 69.5 | Low | 73 Ų | 73 | 100.8 Ų | 100.8 | 38% | 0.382 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 175.7 | -73.9 | 165.7 | 0 | 0 | 0 | 111.6 | K10 S12 L17 T18 G27 | K10-L15 HydrophobicContact CD-CD2 3.92Å; K10-L15 HydrophobicContact CD-CG 4.26Å; K10-L15 HydrophobicContact CG-CD2 4.27Å; K10-L15 HydrophobicContact CG-CG 4.08Å; S12-L15 WeakPolarHBondContact O-CB 3.4Å; S12-L15 PolarHBondContact O-N 3.2Å; S12-L15 VanDerWaalsContact O-N 3.17Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 2.76Å; L15-T18 WeakPolarHBondContact O-CB 3.19Å; L15-T18 PolarHBondContact O-N 3.03Å; L15-G27 CarbonylContact O-C 3.51Å; L15-G27 WeakPolarHBondContact O-CA 3.42Å; L15-G27 PolarHBondContact O-N 3.27Å |
| 16 | T | 73.9 | Confident | 70.7 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 62% | 0.62 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.7 | -29.5 | 177.8 | 59.8 | 0 | 0 | 0 | 0 | 113 | A13 F14 | A13-T16 PolarHBondContact O-OG1 3.45Å; F14-T16 PolarHBondContact O-N 3.43Å |
| 17 | L | 77.5 | Confident | 72.3 | Confident | 136 Ų | 136 | 93.5 Ų | 93.5 | 71% | 0.712 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -84.8 | -13.3 | 173.3 | -168.5 | 59.2 | 0 | 0 | 0 | 113.3 | A13 F14 L15 V19 | A13-L17 PolarHBondContact O-N 3.4Å; F14-L17 CarbonylContact O-C 3.17Å; F14-L17 PolarHBondContact O-N 3.39Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 2.76Å; L17-V19 PolarHBondContact O-N 3.37Å |
| 18 | T | 80.9 | Confident | 73.7 | Confident | 13 Ų | 13 | 85.6 Ų | 85.6 | 8% | 0.08 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 121 | 178.2 | -62.6 | 0 | 0 | 0 | 0 | 108.5 | K10 F14 L15 S26 G27 H28 T29 | K10-T18 WeakPolarHBondContact CE-OG1 3.3Å; K10-T18 PolarHBondContact NZ-OG1 3.01Å; F14-T18 WeakPolarHBondContact CE1-OG1 3.17Å; F14-T18 VanDerWaalsContact O-CB 3.29Å; F14-T18 WeakPolarHBondContact O-CB 3.18Å; F14-T18 PolarHBondContact O-N 3.38Å; F14-T18 PolarHBondContact O-OG1 3.48Å; L15-T18 WeakPolarHBondContact O-CB 3.19Å; L15-T18 PolarHBondContact O-N 3.03Å; T18-S26 CarbonylContact O-C 3.53Å; T18-S26 VanDerWaalsContact O-CA 3.24Å; T18-S26 WeakPolarHBondContact O-CA 3.3Å; T18-G27 PolarHBondContact O-N 3.36Å; T18-H28 WeakPolarHBondContact CG2-O 3.14Å; T18-T29 HydrophobicContact CG2-CG2 3.85Å |
| 19 | V | 81.5 | Confident | 74.4 | Confident | 63 Ų | 63 | 83.4 Ų | 83.4 | 38% | 0.382 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -98.5 | 131.1 | 171.1 | 178.9 | 0 | 0 | 0 | 0 | 108.6 | L17 Y21 R24 | L17-V19 PolarHBondContact O-N 3.37Å; V19-Y21 PolarHBondContact O-N 3.45Å; V19-R24 HydrophobicContact CG1-CB 4.47Å; V19-R24 HydrophobicContact CG1-CG 3.97Å |
| 20 | C | 81.6 | Confident | 75.2 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.007 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 125.7 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | N22 C23 R24 E25 H28 C33 | C20-N22 PolarHBondContact O-N 3.39Å; C20-N22 PolarHBondContact SG-N 3.37Å; C20-N22 VanDerWaalsContact SG-N 3.41Å; C20-C23 VanDerWaalsContact SG-SG 3.69Å; C20-R24 WeakPolarHBondContact O-CA 3.36Å; C20-R24 PolarHBondContact O-N 3.4Å; C20-E25 WeakPolarHBondContact CB-O 3.38Å; C20-E25 PolarHBondContact N-O 3.35Å; C20-H28 VanDerWaalsContact CB-NE2 3.34Å; C20-H28 WeakPolarHBondContact CB-NE2 3.3Å; C20-H28 PolarHBondContact SG-NE2 3.24Å; C20-C33 WeakPolarHBondContact SG-CB 3.44Å; C20-C33 PolarHBondContact SG-SG 2.99Å |
| 21 | Y | 75.1 | Confident | 76.4 | Confident | 180 Ų | 180 | 78 Ų | 78 | 71% | 0.706 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8.2 | 178.7 | -57.3 | -72.2 | 0 | 0 | 0 | 114.2 | V19 V30 | V19-Y21 PolarHBondContact O-N 3.45Å; Y21-V30 HydrophobicContact CD2-CG2 3.81Å; Y21-V30 HydrophobicContact CG-CG2 4.2Å |
| 22 | N | 76.2 | Confident | 77.4 | Confident | 23 Ų | 23 | 78.8 Ų | 78.8 | 12% | 0.123 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -52.7 | 177.5 | -177.6 | 68.7 | 0 | 0 | 0 | 112.3 | C20 V30 C33 K35 | C20-N22 PolarHBondContact O-N 3.39Å; C20-N22 PolarHBondContact SG-N 3.37Å; C20-N22 VanDerWaalsContact SG-N 3.41Å; N22-V30 HydrophobicContact CB-CG1 4.45Å; N22-C33 HydrophobicContact CB-CB 4.48Å; N22-C33 PolarHBondContact ND2-SG 3.23Å; N22-C33 VanDerWaalsContact ND2-SG 3.41Å; N22-K35 VanDerWaalsContact ND2-C 3.29Å; N22-K35 PolarHBondContact ND2-O 2.94Å |
| 23 | C | 79.4 | Confident | 78.4 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -8.2 | -178.9 | 68.2 | 0 | 0 | 0 | 0 | 115.1 | C20 E25 H28 K35 | C20-C23 VanDerWaalsContact SG-SG 3.69Å; C23-E25 PolarHBondContact O-N 3.14Å; C23-E25 PolarHBondContact SG-OE2 3.09Å; C23-H28 PolarHBondContact SG-CE1 3.2Å; C23-H28 PolarHBondContact SG-NE2 2.72Å; C23-K35 HydrophobicContact CB-CB 4.13Å; C23-K35 HydrophobicContact CB-CG 4.32Å |
| 24 | R | 75.9 | Confident | 79.2 | Confident | 216 Ų | 216 | 77.1 Ų | 77.1 | 82% | 0.815 | 43% | 0.429 | S | S | * | . | trans | 63.9 | 19.5 | -178.4 | -151.8 | 170.1 | -179.6 | -112.4 | -0.2 | 115.4 | V19 C20 | V19-R24 HydrophobicContact CG1-CB 4.47Å; V19-R24 HydrophobicContact CG1-CG 3.97Å; C20-R24 WeakPolarHBondContact O-CA 3.36Å; C20-R24 PolarHBondContact O-N 3.4Å | ||
| 25 | E | 82.2 | Confident | 79.7 | Confident | 109 Ų | 109 | 79.4 Ų | 79.4 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | trans | -87.9 | 143.7 | 170 | -64.4 | 175.7 | 97.7 | 0 | 0 | 110.7 | C20 C23 | C20-E25 WeakPolarHBondContact CB-O 3.38Å; C20-E25 PolarHBondContact N-O 3.35Å; C23-E25 PolarHBondContact O-N 3.14Å; C23-E25 PolarHBondContact SG-OE2 3.09Å | ||
| 26 | S | 84.3 | Confident | 79.8 | Confident | 81 Ų | 81 | 81 Ų | 81 | 57% | 0.566 | 44% | 0.443 | S | S | * | . | B | Isolated β-bridge | trans | -82.3 | 155.7 | 173.5 | 51.4 | 0 | 0 | 0 | 0 | 111.9 | T18 | T18-S26 CarbonylContact O-C 3.53Å; T18-S26 VanDerWaalsContact O-CA 3.24Å; T18-S26 WeakPolarHBondContact O-CA 3.3Å |
| 27 | G | 87.1 | Confident | 79.5 | Confident | 38 Ų | 38 | 79.7 Ų | 79.7 | 39% | 0.392 | 44% | 0.435 | S | S | . | . | S | Bend | trans | 108 | -17.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L15 T18 | L15-G27 CarbonylContact O-C 3.51Å; L15-G27 WeakPolarHBondContact O-CA 3.42Å; L15-G27 PolarHBondContact O-N 3.27Å; T18-G27 PolarHBondContact O-N 3.36Å |
| 28 | H | 87.2 | Confident | 78.8 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 17% | 0.171 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -140.7 | 166.2 | -179.6 | 68.1 | -88.9 | 0 | 0 | 0 | 112.5 | T18 C20 C23 C33 | T18-H28 WeakPolarHBondContact CG2-O 3.14Å; C20-H28 VanDerWaalsContact CB-NE2 3.34Å; C20-H28 WeakPolarHBondContact CB-NE2 3.3Å; C20-H28 PolarHBondContact SG-NE2 3.24Å; C23-H28 PolarHBondContact SG-CE1 3.2Å; C23-H28 PolarHBondContact SG-NE2 2.72Å; H28-C33 VanDerWaalsContact CD2-CA 3.48Å; H28-C33 WeakPolarHBondContact CD2-CA 3.41Å; H28-C33 PolarHBondContact NE2-SG 3.17Å |
| 29 | T | 82.9 | Confident | 77.8 | Confident | 45 Ų | 45 | 83.6 Ų | 83.6 | 28% | 0.276 | 46% | 0.456 | S | S | . | . | trans | -100.7 | 166.9 | 176 | 63.9 | 0 | 0 | 0 | 0 | 110.8 | T18 A31 T32 C33 | T18-T29 HydrophobicContact CG2-CG2 3.85Å; T29-A31 PolarHBondContact O-N 3.17Å; T29-A31 VanDerWaalsContact O-N 3.16Å; T29-T32 CarbonylContact O-C 3.55Å; T29-T32 PolarHBondContact O-N 3.2Å; T29-C33 PolarHBondContact O-N 2.95Å | ||
| 30 | V | 77.6 | Confident | 76.7 | Confident | 46 Ų | 46 | 81.2 Ų | 81.2 | 28% | 0.279 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -52.1 | -37.2 | 174 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | Y21 N22 T32 C33 F36 | Y21-V30 HydrophobicContact CD2-CG2 3.81Å; Y21-V30 HydrophobicContact CG-CG2 4.2Å; N22-V30 HydrophobicContact CB-CG1 4.45Å; V30-T32 PolarHBondContact O-N 3.48Å; V30-C33 WeakPolarHBondContact O-CB 3.14Å; V30-C33 PolarHBondContact O-N 2.94Å; V30-F36 HydrophobicContact CG1-CD2 3.87Å; V30-F36 HydrophobicContact CG1-CE2 3.72Å |
| 31 | A | 79.7 | Confident | 75.7 | Confident | 97 Ų | 97 | 83 Ų | 83 | 80% | 0.802 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -64.8 | -22.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | T29 | T29-A31 PolarHBondContact O-N 3.17Å; T29-A31 VanDerWaalsContact O-N 3.16Å |
| 32 | T | 81.4 | Confident | 75.3 | Confident | 103 Ų | 103 | 81.5 Ų | 81.5 | 63% | 0.632 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -115.4 | 17.3 | 179.7 | -38.8 | 0 | 0 | 0 | 0 | 111.2 | T29 V30 S34 | T29-T32 CarbonylContact O-C 3.55Å; T29-T32 PolarHBondContact O-N 3.2Å; V30-T32 PolarHBondContact O-N 3.48Å; T32-S34 PolarHBondContact O-N 2.91Å |
| 33 | C | 83.5 | Confident | 74.9 | Confident | 11 Ų | 11 | 81.7 Ų | 81.7 | 7% | 0.074 | 46% | 0.463 | C | S | . | . | trans | -75.7 | 116.2 | -178.3 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | C20 N22 H28 T29 V30 K35 F36 | C20-C33 WeakPolarHBondContact SG-CB 3.44Å; C20-C33 PolarHBondContact SG-SG 2.99Å; N22-C33 HydrophobicContact CB-CB 4.48Å; N22-C33 PolarHBondContact ND2-SG 3.23Å; N22-C33 VanDerWaalsContact ND2-SG 3.41Å; H28-C33 VanDerWaalsContact CD2-CA 3.48Å; H28-C33 WeakPolarHBondContact CD2-CA 3.41Å; H28-C33 PolarHBondContact NE2-SG 3.17Å; T29-C33 PolarHBondContact O-N 2.95Å; V30-C33 WeakPolarHBondContact O-CB 3.14Å; V30-C33 PolarHBondContact O-N 2.94Å; C33-K35 PolarHBondContact O-N 2.78Å; C33-F36 HydrophobicContact CB-CB 4.15Å; C33-F36 WeakPolarHBondContact O-CB 3.36Å; C33-F36 PolarHBondContact O-N 3.25Å | ||
| 34 | S | 81.1 | Confident | 74.6 | Confident | 122 Ų | 122 | 82 Ų | 82 | 85% | 0.853 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.9 | 175.6 | 176.1 | 0 | 0 | 0 | 0 | 112.9 | T32 F36 | T32-S34 PolarHBondContact O-N 2.91Å; S34-F36 VanDerWaalsContact C-N 3.32Å |
| 35 | K | 76.2 | Confident | 74.8 | Confident | 138 Ų | 138 | 71.8 Ų | 71.8 | 60% | 0.6 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 12 | 175.9 | -59.2 | -67.2 | -172.4 | 172.3 | 0 | 112.9 | N22 C23 C33 T37 | N22-K35 VanDerWaalsContact ND2-C 3.29Å; N22-K35 PolarHBondContact ND2-O 2.94Å; C23-K35 HydrophobicContact CB-CB 4.13Å; C23-K35 HydrophobicContact CB-CG 4.32Å; C33-K35 PolarHBondContact O-N 2.78Å; K35-T37 PolarHBondContact O-N 2.95Å |
| 36 | F | 70.6 | Confident | 74.5 | Confident | 105 Ų | 105 | 71.3 Ų | 71.3 | 46% | 0.461 | 42% | 0.42 | S | S | . | . | trans | -70.9 | 95.6 | 176.6 | -168 | -96.2 | 0 | 0 | 0 | 109.2 | V30 C33 S34 | V30-F36 HydrophobicContact CG1-CD2 3.87Å; V30-F36 HydrophobicContact CG1-CE2 3.72Å; C33-F36 HydrophobicContact CB-CB 4.15Å; C33-F36 WeakPolarHBondContact O-CB 3.36Å; C33-F36 PolarHBondContact O-N 3.25Å; S34-F36 VanDerWaalsContact C-N 3.32Å | ||
| 37 | T | 66.7 | Low | 74.1 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 46% | 0.46 | 42% | 0.415 | S | S | . | . | trans | -105.9 | 137.8 | 165.4 | 58.9 | 0 | 0 | 0 | 0 | 107.5 | K35 D39 A40 | K35-T37 PolarHBondContact O-N 2.95Å; T37-D39 PolarHBondContact O-N 3Å; T37-D39 VanDerWaalsContact O-N 3.14Å; T37-A40 VanDerWaalsContact O-CB 3.3Å; T37-A40 WeakPolarHBondContact O-CB 3.46Å; T37-A40 PolarHBondContact O-N 3.41Å; T37-A40 WeakPolarHBondContact OG1-CB 3.12Å; T37-A40 PolarHBondContact OG1-N 3.47Å | ||
| 38 | D | 64 | Low | 73.8 | Confident | 102 Ų | 102 | 73.4 Ų | 73.4 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -55.4 | -33.1 | 178.4 | -148.1 | -117.6 | 0 | 0 | 0 | 110.5 | A40 A41 F42 | D38-A40 VanDerWaalsContact C-N 3.34Å; D38-A40 PolarHBondContact O-N 3.44Å; D38-A41 WeakPolarHBondContact O-CB 3.46Å; D38-A41 PolarHBondContact O-N 3.16Å; D38-A41 VanDerWaalsContact O-N 3.09Å; D38-F42 WeakPolarHBondContact O-CD2 3.34Å; D38-F42 WeakPolarHBondContact OD1-CE2 3.42Å |
| 39 | D | 58.9 | Low | 73.2 | Confident | 128 Ų | 128 | 74.1 Ų | 74.1 | 68% | 0.684 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -63.9 | -31.3 | 175.5 | -51.6 | -76.9 | 0 | 0 | 0 | 114.4 | T37 A41 F42 | T37-D39 PolarHBondContact O-N 3Å; T37-D39 VanDerWaalsContact O-N 3.14Å; D39-A41 PolarHBondContact O-N 2.88Å; D39-F42 PolarHBondContact O-N 2.78Å |
| 40 | A | 58.9 | Low | 73.1 | Confident | 13 Ų | 13 | 74.2 Ų | 74.2 | 11% | 0.107 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.7 | -30.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T37 D38 I44 | T37-A40 VanDerWaalsContact O-CB 3.3Å; T37-A40 WeakPolarHBondContact O-CB 3.46Å; T37-A40 PolarHBondContact O-N 3.41Å; T37-A40 WeakPolarHBondContact OG1-CB 3.12Å; T37-A40 PolarHBondContact OG1-N 3.47Å; D38-A40 VanDerWaalsContact C-N 3.34Å; D38-A40 PolarHBondContact O-N 3.44Å; A40-I44 HydrophobicContact CB-CD1 3.75Å; A40-I44 WeakPolarHBondContact O-CB 3.49Å; A40-I44 WeakPolarHBondContact O-CD1 3.48Å; A40-I44 WeakPolarHBondContact O-CG1 3.11Å; A40-I44 PolarHBondContact O-N 3.19Å |
| 41 | A | 60.3 | Low | 73.2 | Confident | 39 Ų | 39 | 77.2 Ų | 77.2 | 32% | 0.322 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -75.8 | -30.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D38 D39 F46 | D38-A41 WeakPolarHBondContact O-CB 3.46Å; D38-A41 PolarHBondContact O-N 3.16Å; D38-A41 VanDerWaalsContact O-N 3.09Å; D39-A41 PolarHBondContact O-N 2.88Å; A41-F46 HydrophobicContact CB-CZ 4.19Å |
| 42 | F | 66.4 | Low | 73.4 | Confident | 149 Ų | 149 | 81.1 Ų | 81.1 | 65% | 0.654 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -75.1 | -26.3 | -176.9 | -71.4 | -72 | 0 | 0 | 0 | 114 | D38 D39 | D38-F42 WeakPolarHBondContact O-CD2 3.34Å; D38-F42 WeakPolarHBondContact OD1-CE2 3.42Å; D39-F42 PolarHBondContact O-N 2.78Å |
| 43 | G | 68 | Low | 73.6 | Confident | 27 Ų | 27 | 78 Ų | 78 | 28% | 0.278 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -113.8 | -24.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | T51 | G43-T51 CarbonylContact O-C 3.49Å; G43-T51 WeakPolarHBondContact O-CA 3.46Å; G43-T51 VanDerWaalsContact O-O 3.06Å |
| 44 | I | 73.2 | Confident | 73.5 | Confident | 41 Ų | 41 | 83.1 Ų | 83.1 | 21% | 0.21 | 45% | 0.451 | C | S | . | . | trans | -91.5 | 126.8 | -168.4 | -55.6 | 173.7 | 0 | 0 | 0 | 111.6 | A40 F46 S50 T51 | A40-I44 HydrophobicContact CB-CD1 3.75Å; A40-I44 WeakPolarHBondContact O-CB 3.49Å; A40-I44 WeakPolarHBondContact O-CD1 3.48Å; A40-I44 WeakPolarHBondContact O-CG1 3.11Å; A40-I44 PolarHBondContact O-N 3.19Å; I44-F46 PolarHBondContact O-N 2.85Å; I44-S50 CarbonylContact C-O 3.5Å; I44-S50 WeakPolarHBondContact CA-O 3.41Å; I44-T51 HydrophobicContact CD1-CG2 4.32Å; I44-T51 HydrophobicContact CG1-CG2 3.63Å | ||
| 45 | C | 81.4 | Confident | 73.4 | Confident | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.007 | 43% | 0.426 | C | S | . | . | trans | -65.9 | 111.9 | 171.2 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | R47 C48 G49 S50 H53 C58 | C45-R47 PolarHBondContact O-N 3.05Å; C45-R47 PolarHBondContact SG-N 2.83Å; C45-R47 VanDerWaalsContact SG-N 3.38Å; C45-C48 WeakPolarHBondContact CB-SG 3.36Å; C45-C48 PolarHBondContact O-N 2.86Å; C45-C48 VanDerWaalsContact O-N 3.17Å; C45-C48 PolarHBondContact SG-N 3.28Å; C45-C48 PolarHBondContact SG-SG 3.42Å; C45-G49 WeakPolarHBondContact O-CA 3.47Å; C45-G49 PolarHBondContact O-N 3.09Å; C45-S50 WeakPolarHBondContact CB-O 3.21Å; C45-S50 PolarHBondContact N-O 2.85Å; C45-H53 WeakPolarHBondContact CA-O 3.42Å; C45-H53 WeakPolarHBondContact CB-O 3.45Å; C45-H53 PolarHBondContact N-O 3.41Å; C45-C58 WeakPolarHBondContact SG-CB 3.49Å; C45-C58 PolarHBondContact SG-SG 3.48Å | ||
| 46 | F | 75.9 | Confident | 73.5 | Confident | 100 Ų | 100 | 82 Ų | 82 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -10.2 | 175.8 | -56.9 | -63.4 | 0 | 0 | 0 | 115.5 | A41 I44 L55 | A41-F46 HydrophobicContact CB-CZ 4.19Å; I44-F46 PolarHBondContact O-N 2.85Å; F46-L55 HydrophobicContact CB-CD1 4.41Å; F46-L55 HydrophobicContact CB-CD2 4.45Å; F46-L55 HydrophobicContact CD2-CB 4.38Å; F46-L55 HydrophobicContact CD2-CD2 4.44Å |
| 47 | R | 75.9 | Confident | 74.2 | Confident | 122 Ų | 122 | 84.2 Ų | 84.2 | 46% | 0.46 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -26.6 | 176.1 | -179.2 | -179.6 | -60 | -177.4 | -3.9 | 112.7 | C45 L55 C58 L60 I62 | C45-R47 PolarHBondContact O-N 3.05Å; C45-R47 PolarHBondContact SG-N 2.83Å; C45-R47 VanDerWaalsContact SG-N 3.38Å; R47-L55 HydrophobicContact CB-CD1 3.46Å; R47-L55 VanDerWaalsContact CB-CD1 3.46Å; R47-C58 HydrophobicContact CB-CB 4.03Å; R47-C58 VanDerWaalsContact CD-SG 3.58Å; R47-C58 HydrophobicContact CG-CB 4.37Å; R47-C58 PolarHBondContact NH1-O 3.45Å; R47-L60 VanDerWaalsContact CD-O 3.3Å; R47-L60 WeakPolarHBondContact CD-O 3.24Å; R47-I62 HydrophobicContact CG-CD1 4.31Å; R47-I62 HydrophobicContact CG-CG1 4.39Å; R47-I62 WeakPolarHBondContact O-CD1 3.13Å |
| 48 | C | 80.9 | Confident | 75 | Confident | 40 Ų | 40 | 81.1 Ų | 81.1 | 27% | 0.27 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | -14.4 | -177.3 | 66.9 | 0 | 0 | 0 | 0 | 116.8 | C45 S50 H53 L60 | C45-C48 WeakPolarHBondContact CB-SG 3.36Å; C45-C48 PolarHBondContact O-N 2.86Å; C45-C48 VanDerWaalsContact O-N 3.17Å; C45-C48 PolarHBondContact SG-N 3.28Å; C45-C48 PolarHBondContact SG-SG 3.42Å; C48-S50 VanDerWaalsContact SG-CB 3.56Å; C48-S50 PolarHBondContact SG-N 3.28Å; C48-S50 PolarHBondContact SG-OG 3.27Å; C48-H53 PolarHBondContact SG-CE1 3.25Å; C48-H53 PolarHBondContact SG-NE2 3.29Å; C48-L60 HydrophobicContact CB-CB 4.3Å; C48-L60 HydrophobicContact CB-CD1 3.11Å; C48-L60 HydrophobicContact CB-CG 4.27Å |
| 49 | G | 74 | Confident | 76.1 | Confident | 52 Ų | 52 | 85.5 Ų | 85.5 | 54% | 0.536 | 44% | 0.441 | S | S | . | . | trans | 82.3 | 10.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C45 | C45-G49 WeakPolarHBondContact O-CA 3.47Å; C45-G49 PolarHBondContact O-N 3.09Å | ||
| 50 | S | 80.9 | Confident | 77.1 | Confident | 47 Ų | 47 | 84 Ų | 84 | 33% | 0.329 | 43% | 0.433 | S | S | . | . | trans | -82.5 | 133.8 | 179 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | I44 C45 C48 E52 | I44-S50 CarbonylContact C-O 3.5Å; I44-S50 WeakPolarHBondContact CA-O 3.41Å; C45-S50 WeakPolarHBondContact CB-O 3.21Å; C45-S50 PolarHBondContact N-O 2.85Å; C48-S50 VanDerWaalsContact SG-CB 3.56Å; C48-S50 PolarHBondContact SG-N 3.28Å; C48-S50 PolarHBondContact SG-OG 3.27Å; S50-E52 PolarHBondContact O-N 3.42Å | ||
| 51 | T | 79.9 | Confident | 78 | Confident | 110 Ų | 110 | 92.1 Ų | 92.1 | 68% | 0.675 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -6.1 | 172.1 | 47.5 | 0 | 0 | 0 | 0 | 114.2 | G43 I44 | G43-T51 CarbonylContact O-C 3.49Å; G43-T51 WeakPolarHBondContact O-CA 3.46Å; G43-T51 VanDerWaalsContact O-O 3.06Å; I44-T51 HydrophobicContact CD1-CG2 4.32Å; I44-T51 HydrophobicContact CG1-CG2 3.63Å |
| 52 | E | 82.8 | Confident | 78.3 | Confident | 178 Ų | 178 | 96.4 Ų | 96.4 | 83% | 0.832 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -23.8 | -173.6 | -168.9 | -175.6 | 82.3 | 0 | 0 | 113.2 | S50 | S50-E52 PolarHBondContact O-N 3.42Š|
| 53 | H | 86 | Confident | 78.1 | Confident | 38 Ų | 38 | 97.8 Ų | 97.8 | 18% | 0.176 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -149.5 | 155.5 | -173.7 | 62.1 | -92.7 | 0 | 0 | 0 | 112.7 | C45 C48 K57 | C45-H53 WeakPolarHBondContact CA-O 3.42Å; C45-H53 WeakPolarHBondContact CB-O 3.45Å; C45-H53 PolarHBondContact N-O 3.41Å; C48-H53 PolarHBondContact SG-CE1 3.25Å; C48-H53 PolarHBondContact SG-NE2 3.29Å; H53-K57 HydrophobicContact CB-CB 4.2Å |
| 54 | M | 82.3 | Confident | 77.6 | Confident | 118 Ų | 118 | 99.4 Ų | 99.4 | 58% | 0.581 | 50% | 0.504 | S | S | * | . | trans | -81.4 | 162.1 | 174.5 | -60 | 170.1 | -167.4 | 0 | 0 | 111.7 | Q56 K57 C58 | M54-Q56 PolarHBondContact O-N 3.05Å; M54-K57 PolarHBondContact O-N 2.56Å; M54-C58 PolarHBondContact O-N 2.77Å | ||
| 55 | L | 77.7 | Confident | 76.5 | Confident | 61 Ų | 61 | 105.2 Ų | 105.2 | 32% | 0.319 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -45.2 | -38.8 | 176.5 | 177.9 | 58.6 | 0 | 0 | 0 | 113.8 | F46 R47 K57 C58 | F46-L55 HydrophobicContact CB-CD1 4.41Å; F46-L55 HydrophobicContact CB-CD2 4.45Å; F46-L55 HydrophobicContact CD2-CB 4.38Å; F46-L55 HydrophobicContact CD2-CD2 4.44Å; R47-L55 HydrophobicContact CB-CD1 3.46Å; R47-L55 VanDerWaalsContact CB-CD1 3.46Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.17Å; L55-C58 WeakPolarHBondContact O-CB 3.29Å; L55-C58 PolarHBondContact O-N 3.38Å |
| 56 | Q | 79.4 | Confident | 75.1 | Confident | 175 Ų | 175 | 112.7 Ų | 112.7 | 82% | 0.818 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -65.5 | -31 | -179.5 | -58.6 | -60.8 | -61.7 | 0 | 0 | 113.5 | M54 | M54-Q56 PolarHBondContact O-N 3.05Š|
| 57 | K | 84.2 | Confident | 74.3 | Confident | 153 Ų | 153 | 114.8 Ų | 114.8 | 67% | 0.665 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -96.7 | 5.7 | -178.8 | -67.1 | -168 | 174 | 85.3 | 0 | 113 | H53 M54 L55 K59 | H53-K57 HydrophobicContact CB-CB 4.2Å; M54-K57 PolarHBondContact O-N 2.56Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.17Å; K57-K59 PolarHBondContact O-N 2.77Å |
| 58 | C | 85.2 | Confident | 73.2 | Confident | 9 Ų | 9 | 118.5 Ų | 118.5 | 6% | 0.061 | 60% | 0.602 | C | S | . | * | trans | -76.9 | 109.5 | -175.6 | -173 | 0 | 0 | 0 | 0 | 113 | C45 R47 M54 L55 L60 | C45-C58 WeakPolarHBondContact SG-CB 3.49Å; C45-C58 PolarHBondContact SG-SG 3.48Å; R47-C58 HydrophobicContact CB-CB 4.03Å; R47-C58 VanDerWaalsContact CD-SG 3.58Å; R47-C58 HydrophobicContact CG-CB 4.37Å; R47-C58 PolarHBondContact NH1-O 3.45Å; M54-C58 PolarHBondContact O-N 2.77Å; L55-C58 WeakPolarHBondContact O-CB 3.29Å; L55-C58 PolarHBondContact O-N 3.38Å; C58-L60 VanDerWaalsContact C-N 3.3Å; C58-L60 PolarHBondContact O-N 3.26Å | ||
| 59 | K | 85.6 | Confident | 71.7 | Confident | 194 Ų | 194 | 126.4 Ų | 126.4 | 84% | 0.843 | 63% | 0.631 | S | S | * | * | trans | -79.6 | -4.9 | 179 | -63.6 | -175.6 | -72.7 | -79.3 | 0 | 114.4 | K57 K61 | K57-K59 PolarHBondContact O-N 2.77Å; K59-K61 PolarHBondContact O-N 3.17Å | ||
| 60 | L | 80.6 | Confident | 70.6 | Confident | 96 Ų | 96 | 128.3 Ų | 128.3 | 50% | 0.503 | 64% | 0.642 | S | S | . | * | trans | -69.7 | 124 | -178.9 | -94.7 | 147.8 | 0 | 0 | 0 | 112.3 | R47 C48 C58 | R47-L60 VanDerWaalsContact CD-O 3.3Å; R47-L60 WeakPolarHBondContact CD-O 3.24Å; C48-L60 HydrophobicContact CB-CB 4.3Å; C48-L60 HydrophobicContact CB-CD1 3.11Å; C48-L60 HydrophobicContact CB-CG 4.27Å; C58-L60 VanDerWaalsContact C-N 3.3Å; C58-L60 PolarHBondContact O-N 3.26Å | ||
| 61 | K | 76.9 | Confident | 69.5 | Low | 184 Ų | 184 | 137.3 Ų | 137.3 | 80% | 0.8 | 67% | 0.669 | S | S | * | * | trans | -93.3 | 102.6 | 170.7 | -71.5 | -179.2 | -87.3 | -167.9 | 0 | 108.3 | K59 K63 | K59-K61 PolarHBondContact O-N 3.17Å; K61-K63 PolarHBondContact O-N 3.48Å | ||
| 62 | I | 67.1 | Low | 68.3 | Low | 130 Ų | 130 | 140.7 Ų | 140.7 | 67% | 0.667 | 68% | 0.682 | S | S | * | * | trans | -69.9 | 99.5 | 175.6 | -52 | -164.9 | 0 | 0 | 0 | 108 | R47 G64 | R47-I62 HydrophobicContact CG-CD1 4.31Å; R47-I62 HydrophobicContact CG-CG1 4.39Å; R47-I62 WeakPolarHBondContact O-CD1 3.13Å; I62-G64 PolarHBondContact O-N 2.94Å | ||
| 63 | K | 62 | Low | 66.8 | Low | 178 Ų | 178 | 137.8 Ų | 137.8 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | trans | -72.7 | 82.6 | 166.2 | -70.6 | 174.8 | 177.6 | 171.5 | 0 | 106.9 | K61 K65 | K61-K63 PolarHBondContact O-N 3.48Å; K63-K65 PolarHBondContact O-N 3.28Å | ||
| 64 | G | 57.3 | Low | 65 | Low | 60 Ų | 60 | 138.6 Ų | 138.6 | 62% | 0.619 | 71% | 0.707 | S | S | * | * | trans | -58.2 | 90 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | I62 L66 | I62-G64 PolarHBondContact O-N 2.94Å; G64-L66 VanDerWaalsContact C-N 3.33Å; G64-L66 PolarHBondContact O-N 3.39Å | ||
| 65 | K | 50.7 | Low | 63.3 | Low | 163 Ų | 163 | 144.7 Ų | 144.7 | 71% | 0.709 | 72% | 0.724 | S | S | * | * | trans | -69.5 | 94.2 | 176.4 | -96.5 | -177.2 | -78 | -101.2 | 0 | 107 | K63 L67 | K63-K65 PolarHBondContact O-N 3.28Å; K65-L67 HydrophobicContact CB-CB 4.25Å; K65-L67 PolarHBondContact O-N 3.02Å | ||
| 66 | L | 53 | Low | 62.2 | Low | 159 Ų | 159 | 153 Ų | 153 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | trans | -69.2 | 50.6 | 157.8 | -61.9 | -172.4 | 0 | 0 | 0 | 110.3 | G64 F68 | G64-L66 VanDerWaalsContact C-N 3.33Å; G64-L66 PolarHBondContact O-N 3.39Å; L66-F68 PolarHBondContact O-N 3.39Å; L66-F68 VanDerWaalsContact O-N 3.09Å | ||
| 67 | L | 57.5 | Low | 61.2 | Low | 144 Ų | 144 | 150.6 Ų | 150.6 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | -87.4 | 60.7 | 176.7 | -163.6 | 69.7 | 0 | 0 | 0 | 109.3 | K65 | K65-L67 HydrophobicContact CB-CB 4.25Å; K65-L67 PolarHBondContact O-N 3.02Å | ||
| 68 | F | 52.7 | Low | 59.8 | Low | 200 Ų | 200 | 150 Ų | 150 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | -117.6 | 11.1 | 168.2 | -77.9 | -70.8 | 0 | 0 | 0 | 112.7 | L66 A70 | L66-F68 PolarHBondContact O-N 3.39Å; L66-F68 VanDerWaalsContact O-N 3.09Å; F68-A70 VanDerWaalsContact C-N 3.27Å; F68-A70 PolarHBondContact O-N 3.12Å; F68-A70 VanDerWaalsContact O-N 3.12Å | ||
| 69 | K | 49.8 | Very low | 58 | Low | 205 Ų | 205 | 153.8 Ų | 153.8 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | trans | -87.2 | 66.9 | 170.7 | -65.1 | 171.4 | 79.1 | 89.7 | 0 | 110.2 | ||||
| 70 | A | 52 | Low | 56.1 | Low | 92 Ų | 92 | 147.8 Ų | 147.8 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -153.1 | 121.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | F68 | F68-A70 VanDerWaalsContact C-N 3.27Å; F68-A70 PolarHBondContact O-N 3.12Å; F68-A70 VanDerWaalsContact O-N 3.12Å |
| 71 | R | 56.9 | Low | 54.8 | Low | 236 Ų | 236 | 147.9 Ų | 147.9 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | S | Bend | trans | 97.8 | 52.2 | 157.9 | -147.5 | 169.2 | -164.9 | 124.5 | 2.2 | 119.9 | ||
| 72 | L | 55 | Low | 53.7 | Low | 181 Ų | 181 | 151.4 Ų | 151.4 | 95% | 0.948 | 82% | 0.819 | S | S | * | * | trans | -128.9 | 14.4 | 153.1 | -99.3 | 103.5 | 0 | 0 | 0 | 115.4 | G74 | L72-G74 VanDerWaalsContact C-N 3.32Å; L72-G74 PolarHBondContact O-N 3.31Å | ||
| 73 | A | 51.8 | Low | 52.7 | Low | 117 Ų | 117 | 149.6 Ų | 149.6 | 97% | 0.967 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -92.9 | 42.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 74 | G | 47.8 | Very low | 52 | Low | 56 Ų | 56 | 148.6 Ų | 148.6 | 58% | 0.577 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -167.8 | 52 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L72 | L72-G74 VanDerWaalsContact C-N 3.32Å; L72-G74 PolarHBondContact O-N 3.31Å |
| 75 | W | 46.1 | Very low | 51.2 | Low | 246 Ų | 246 | 151 Ų | 151 | 93% | 0.932 | 84% | 0.839 | S | S | * | * | trans | -163.5 | 73.3 | 165 | -121.4 | -67.4 | 0 | 0 | 0 | 114.2 | ||||
| 76 | R | 54 | Low | 50.9 | Low | 236 Ų | 236 | 148 Ų | 148 | 89% | 0.891 | 84% | 0.838 | S | S | * | * | trans | -175.2 | 108.8 | 142.5 | -142.5 | 130.9 | 104.9 | -89.9 | 1.2 | 108.7 | ||||
| 77 | S | 59.6 | Low | 50.5 | Low | 123 Ų | 123 | 147.9 Ų | 147.9 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -174.5 | -1.4 | 151.7 | -104.1 | 0 | 0 | 0 | 0 | 113.6 | G79 | S77-G79 VanDerWaalsContact C-N 3.26Å; S77-G79 PolarHBondContact O-N 2.91Å | ||
| 78 | T | 54 | Low | 50.1 | Low | 142 Ų | 142 | 148.4 Ų | 148.4 | 87% | 0.871 | 84% | 0.84 | S | S | * | * | trans | -74.9 | 88.4 | 158.9 | 38.7 | 0 | 0 | 0 | 0 | 108.7 | G80 | T78-G80 VanDerWaalsContact C-N 3.34Å; T78-G80 PolarHBondContact O-N 2.97Å | ||
| 79 | G | 46.9 | Very low | 49.9 | Very low | 87 Ų | 87 | 147.1 Ų | 147.1 | 90% | 0.897 | 84% | 0.841 | S | S | * | * | trans | -61 | 88.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S77 | S77-G79 VanDerWaalsContact C-N 3.26Å; S77-G79 PolarHBondContact O-N 2.91Å | ||
| 80 | G | 45.8 | Very low | 49.7 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 71% | 0.711 | 83% | 0.832 | S | S | * | * | trans | -108.9 | 136.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T78 | T78-G80 VanDerWaalsContact C-N 3.34Å; T78-G80 PolarHBondContact O-N 2.97Å | ||
| 81 | A | 54.8 | Low | 49.5 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 81% | 0.81 | 84% | 0.842 | S | S | * | * | trans | 92.2 | 59.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 82 | R | 52.2 | Low | 49.1 | Very low | 257 Ų | 257 | 134.6 Ų | 134.6 | 97% | 0.97 | 83% | 0.83 | S | S | * | * | trans | -141.7 | 66.4 | 139.8 | -66.3 | -169.2 | 82.8 | -171.6 | 4.6 | 110.2 | ||||
| 83 | A | 46.7 | Very low | 49 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 76% | 0.76 | 83% | 0.825 | S | S | * | * | trans | -149.7 | 61.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | C85 | A83-C85 PolarHBondContact O-N 3.2Š| ||
| 84 | V | 48.1 | Very low | 49.2 | Very low | 157 Ų | 157 | 134.2 Ų | 134.2 | 95% | 0.952 | 82% | 0.815 | S | S | * | * | trans | -91.8 | 70.9 | 160.7 | -70.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 85 | C | 40.9 | Very low | 49.7 | Very low | 111 Ų | 111 | 139.4 Ų | 139.4 | 75% | 0.75 | 83% | 0.83 | S | S | * | * | trans | -98.4 | 127.2 | 169.8 | -121.5 | 0 | 0 | 0 | 0 | 107.9 | A83 | A83-C85 PolarHBondContact O-N 3.2Š| ||
| 86 | S | 42.6 | Very low | 50.3 | Low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | trans | 69.1 | 105.1 | 152.8 | -48.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 87 | L | 44.8 | Very low | 50.3 | Low | 158 Ų | 158 | 129.9 Ų | 129.9 | 83% | 0.827 | 81% | 0.813 | S | S | * | * | -169.2 | 140.4 | 119.6 | -116.8 | 70 | 0 | 0 | 0 | 106.4 | |||||
| 88 | L | 50.2 | Low | 50 | Low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 98.1 | 89.6 | 169.9 | -44 | 164.6 | 0 | 0 | 0 | 116.5 | ||
| 89 | I | 48.3 | Very low | 50.7 | Low | 172 Ų | 172 | 133.1 Ų | 133.1 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | 88.6 | 114.3 | 140.1 | -48.8 | 154 | 0 | 0 | 0 | 117.2 | ||||
| 90 | G | 44.6 | Very low | 51.3 | Low | 69 Ų | 69 | 136.7 Ų | 136.7 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | trans | 118 | 87.2 | 142.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G92 | G90-G92 PolarHBondContact O-N 3.48Š| ||
| 91 | S | 49.4 | Very low | 51.5 | Low | 138 Ų | 138 | 140.1 Ų | 140.1 | 97% | 0.965 | 83% | 0.831 | S | S | * | * | trans | -56.3 | 119.4 | 165.2 | -46.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 92 | G | 48.3 | Very low | 51.4 | Low | 63 Ų | 63 | 142.3 Ų | 142.3 | 65% | 0.649 | 83% | 0.832 | S | S | * | * | trans | 134.9 | 90.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G90 | G90-G92 PolarHBondContact O-N 3.48Š| ||
| 93 | H | 52.1 | Low | 51.3 | Low | 183 Ų | 183 | 135.9 Ų | 135.9 | 85% | 0.847 | 83% | 0.825 | S | S | * | * | -162.8 | 117.2 | 119.1 | -103.9 | -144.1 | 0 | 0 | 0 | 107.2 | N95 | H93-N95 PolarHBondContact O-N 2.74Š| |||
| 94 | S | 56.8 | Low | 51.6 | Low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | trans | -50.8 | 118.8 | 170.3 | 42.9 | 0 | 0 | 0 | 0 | 110.4 | I96 | S94-I96 VanDerWaalsContact C-N 3.26Å; S94-I96 PolarHBondContact O-N 3.4Å | ||
| 95 | N | 57.4 | Low | 51.8 | Low | 166 Ų | 166 | 137.4 Ų | 137.4 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -69.6 | 91 | 158.4 | -79.7 | -70.2 | 0 | 0 | 0 | 106.9 | H93 D97 | H93-N95 PolarHBondContact O-N 2.74Å; N95-D97 PolarHBondContact O-N 3.49Å | ||
| 96 | I | 58.8 | Low | 52.5 | Low | 155 Ų | 155 | 139.1 Ų | 139.1 | 80% | 0.795 | 83% | 0.826 | S | S | * | * | trans | -74.2 | 120.3 | 161.3 | -153.8 | 85.4 | 0 | 0 | 0 | 106.2 | S94 W98 | S94-I96 VanDerWaalsContact C-N 3.26Å; S94-I96 PolarHBondContact O-N 3.4Å; I96-W98 PolarHBondContact O-N 3.02Å | ||
| 97 | D | 54.5 | Low | 53.2 | Low | 127 Ų | 127 | 142 Ų | 142 | 68% | 0.679 | 84% | 0.835 | S | S | * | * | trans | -59.7 | 118.7 | 178.9 | -172.3 | -101.3 | 0 | 0 | 0 | 110.1 | N95 S99 | N95-D97 PolarHBondContact O-N 3.49Å; D97-S99 PolarHBondContact O-N 3.4Å; D97-S99 WeakPolarHBondContact OD1-CB 3.15Å; D97-S99 PolarHBondContact OD1-N 3.31Å; D97-S99 PolarHBondContact OD1-OG 3.34Å | ||
| 98 | W | 52.6 | Low | 53.9 | Low | 244 Ų | 244 | 140.8 Ų | 140.8 | 92% | 0.924 | 84% | 0.836 | S | S | * | * | trans | -95.5 | 74.8 | 164.2 | -167.9 | -76.8 | 0 | 0 | 0 | 107.9 | I96 | I96-W98 PolarHBondContact O-N 3.02Š| ||
| 99 | S | 68.9 | Low | 54.2 | Low | 88 Ų | 88 | 139.6 Ų | 139.6 | 62% | 0.615 | 84% | 0.838 | S | S | * | * | trans | -90.2 | 134.3 | 154.4 | -64 | 0 | 0 | 0 | 0 | 108.2 | D97 | D97-S99 PolarHBondContact O-N 3.4Å; D97-S99 WeakPolarHBondContact OD1-CB 3.15Å; D97-S99 PolarHBondContact OD1-N 3.31Å; D97-S99 PolarHBondContact OD1-OG 3.34Å | ||
| 100 | A | 58.5 | Low | 54.7 | Low | 163 Ų | 163 | 136.6 Ų | 136.6 | 100% | 1.347 | 83% | 0.834 | S | S | * | * | trans | -49 | 0 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.5 |
Retrieved 100 of 100 residues in 94.1 ms
(Link to these results)