| 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 | 51.8 | Low | 77.7 | Confident | 245 Ų | 245 | 116.2 Ų | 116.2 | 100% | 1.207 | 67% | 0.67 | S | S | * | * | 0 | 120 | 0 | -69.5 | 170.3 | 144.4 | 0 | 0 | 108.2 | G3 | M1-G3 PolarHBondContact O-N 3.27Š| |||
| 2 | R | 62.4 | Low | 78.5 | Confident | 257 Ų | 257 | 120.8 Ų | 120.8 | 97% | 0.97 | 68% | 0.676 | S | S | * | * | trans | -69 | 99.5 | 175.5 | -87.6 | -175.5 | 172.1 | -137.7 | -0.5 | 108.4 | ||||
| 3 | G | 78.2 | Confident | 79.2 | Confident | 66 Ų | 66 | 122.4 Ų | 122.4 | 68% | 0.68 | 69% | 0.691 | S | S | * | * | trans | -107.1 | 167.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1 | M1-G3 PolarHBondContact O-N 3.27Š| ||
| 4 | G | 83.1 | Confident | 79.6 | Confident | 38 Ų | 38 | 121.1 Ų | 121.1 | 39% | 0.392 | 69% | 0.687 | S | S | . | * | S | Bend | trans | 149.8 | 171 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C6 A7 T8 | G4-C6 PolarHBondContact O-N 3.43Å; G4-C6 VanDerWaalsContact O-N 3.11Å; G4-A7 PolarHBondContact O-N 3.29Å; G4-T8 PolarHBondContact O-N 3.27Å; G4-T8 PolarHBondContact O-OG1 3.01Å; G4-T8 VanDerWaalsContact O-OG1 3.14Å |
| 5 | V | 85.6 | Confident | 79.9 | Confident | 74 Ų | 74 | 122.9 Ų | 122.9 | 45% | 0.448 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -60.6 | -24 | -175.2 | -64.7 | 0 | 0 | 0 | 0 | 114.1 | A7 K9 G10 M11 | V5-A7 VanDerWaalsContact C-N 3.33Å; V5-K9 HydrophobicContact CG1-CD 4.38Å; V5-K9 CarbonylContact O-C 3.29Å; V5-K9 VanDerWaalsContact O-C 3.29Å; V5-K9 VanDerWaalsContact O-CA 3.31Å; V5-K9 WeakPolarHBondContact O-CA 3.4Å; V5-K9 WeakPolarHBondContact O-CB 3.24Å; V5-K9 PolarHBondContact O-N 3.04Å; V5-G10 PolarHBondContact O-N 2.98Å; V5-G10 VanDerWaalsContact O-N 3.09Å; V5-M11 HydrophobicContact CB-CB 4.42Å; V5-M11 HydrophobicContact CB-SD 3.98Å; V5-M11 HydrophobicContact CG1-SD 4.49Å; V5-M11 HydrophobicContact CG2-CB 4.36Å; V5-M11 HydrophobicContact CG2-SD 4.32Å; V5-M11 PolarHBondContact O-N 3Å |
| 6 | C | 82.4 | Confident | 79.9 | Confident | 92 Ų | 92 | 124.3 Ų | 124.3 | 62% | 0.622 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65.1 | -36.1 | 171.7 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | G4 G10 M11 | G4-C6 PolarHBondContact O-N 3.43Å; G4-C6 VanDerWaalsContact O-N 3.11Å; C6-G10 WeakPolarHBondContact O-CA 3.23Å; C6-G10 PolarHBondContact O-N 3.18Å; C6-M11 PolarHBondContact SG-O 2.96Å; C6-M11 VanDerWaalsContact SG-O 3.36Å |
| 7 | A | 80 | Confident | 79.5 | Confident | 77 Ų | 77 | 124.2 Ų | 124.2 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -92.8 | -39.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | G4 V5 | G4-A7 PolarHBondContact O-N 3.29Å; V5-A7 VanDerWaalsContact C-N 3.33Å |
| 8 | T | 81.8 | Confident | 78.7 | Confident | 103 Ų | 103 | 121.9 Ų | 121.9 | 63% | 0.632 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -87.4 | -23.9 | -175.3 | 63 | 0 | 0 | 0 | 0 | 113.4 | G4 | G4-T8 PolarHBondContact O-N 3.27Å; G4-T8 PolarHBondContact O-OG1 3.01Å; G4-T8 VanDerWaalsContact O-OG1 3.14Å |
| 9 | K | 81.1 | Confident | 78.1 | Confident | 155 Ų | 155 | 122.6 Ų | 122.6 | 67% | 0.674 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -130.3 | 5.2 | -176.1 | -64 | -175.3 | 177.2 | -178.5 | 0 | 113.2 | V5 M11 | V5-K9 HydrophobicContact CG1-CD 4.38Å; V5-K9 CarbonylContact O-C 3.29Å; V5-K9 VanDerWaalsContact O-C 3.29Å; V5-K9 VanDerWaalsContact O-CA 3.31Å; V5-K9 WeakPolarHBondContact O-CA 3.4Å; V5-K9 WeakPolarHBondContact O-CB 3.24Å; V5-K9 PolarHBondContact O-N 3.04Å; K9-M11 HydrophobicContact CB-CG 4.07Å; K9-M11 HydrophobicContact CB-SD 4.39Å; K9-M11 PolarHBondContact O-N 2.84Å |
| 10 | G | 81.7 | Confident | 77.3 | Confident | 50 Ų | 50 | 120.5 Ų | 120.5 | 52% | 0.515 | 69% | 0.691 | S | S | . | * | trans | 60.2 | 18.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V5 C6 K12 | V5-G10 PolarHBondContact O-N 2.98Å; V5-G10 VanDerWaalsContact O-N 3.09Å; C6-G10 WeakPolarHBondContact O-CA 3.23Å; C6-G10 PolarHBondContact O-N 3.18Å; G10-K12 PolarHBondContact O-N 2.8Å | ||
| 11 | M | 86.7 | Confident | 76.5 | Confident | 121 Ų | 121 | 123.6 Ų | 123.6 | 60% | 0.596 | 70% | 0.699 | S | S | * | * | trans | -72.3 | 96.3 | -176.2 | -68.3 | -179.9 | 73.7 | 0 | 0 | 109.9 | V5 C6 K9 | V5-M11 HydrophobicContact CB-CB 4.42Å; V5-M11 HydrophobicContact CB-SD 3.98Å; V5-M11 HydrophobicContact CG1-SD 4.49Å; V5-M11 HydrophobicContact CG2-CB 4.36Å; V5-M11 HydrophobicContact CG2-SD 4.32Å; V5-M11 PolarHBondContact O-N 3Å; C6-M11 PolarHBondContact SG-O 2.96Å; C6-M11 VanDerWaalsContact SG-O 3.36Å; K9-M11 HydrophobicContact CB-CG 4.07Å; K9-M11 HydrophobicContact CB-SD 4.39Å; K9-M11 PolarHBondContact O-N 2.84Å | ||
| 12 | K | 87.2 | Confident | 76.9 | Confident | 171 Ų | 171 | 120.6 Ų | 120.6 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | trans | -142.2 | 143.7 | 172.4 | 68.2 | -179.8 | -178.2 | -178 | 0 | 110.1 | G10 | G10-K12 PolarHBondContact O-N 2.8Š| ||
| 13 | V | 87.5 | Confident | 76.5 | Confident | 142 Ų | 142 | 112.2 Ų | 112.2 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | trans | -109.4 | 132.2 | 172.3 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 14 | V | 85.6 | Confident | 75.5 | Confident | 105 Ų | 105 | 115.3 Ų | 115.3 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -117.8 | 110.6 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 15 | L | 83.2 | Confident | 74.1 | Confident | 147 Ų | 147 | 118.8 Ų | 118.8 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | trans | -90.2 | 115.1 | 177.5 | -174.2 | 66.5 | 0 | 0 | 0 | 109.4 | V17 | L15-V17 HydrophobicContact CD2-CG2 3.77Å; L15-V17 HydrophobicContact CG-CG2 3.83Å; L15-V17 PolarHBondContact O-N 3.39Å | ||
| 16 | K | 79.9 | Confident | 72.6 | Confident | 145 Ų | 145 | 121.4 Ų | 121.4 | 63% | 0.63 | 70% | 0.704 | S | S | * | * | trans | -92.4 | 93.9 | 173.1 | -70.7 | -172.1 | 168.4 | -167.6 | 0 | 109.3 | Q19 | K16-Q19 HydrophobicContact CB-CB 4.47Š| ||
| 17 | V | 73.1 | Confident | 71 | Confident | 123 Ų | 123 | 126.6 Ų | 126.6 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 122.7 | 175.2 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | L15 | L15-V17 HydrophobicContact CD2-CG2 3.77Å; L15-V17 HydrophobicContact CG-CG2 3.83Å; L15-V17 PolarHBondContact O-N 3.39Å |
| 18 | G | 65.4 | Low | 69.4 | Low | 84 Ų | 84 | 132.5 Ų | 132.5 | 87% | 0.866 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.6 | 13.9 | 173 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 19 | Q | 66.3 | Low | 67.8 | Low | 134 Ų | 134 | 135.5 Ų | 135.5 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | trans | -116.3 | 121.3 | 174.2 | -65.9 | -171.9 | -17.7 | 0 | 0 | 111.3 | K16 | K16-Q19 HydrophobicContact CB-CB 4.47Š| ||
| 20 | S | 62.4 | Low | 66.1 | Low | 80 Ų | 80 | 137 Ų | 137 | 56% | 0.559 | 75% | 0.749 | S | S | * | * | trans | -73.4 | 147.1 | 163.8 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | Y22 | S20-Y22 PolarHBondContact O-N 3Å; S20-Y22 PolarHBondContact OG-O 2.98Å | ||
| 21 | Q | 62 | Low | 64.3 | Low | 187 Ų | 187 | 140.3 Ų | 140.3 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -57.8 | -16.4 | -177.1 | -78.4 | -175.4 | -65.3 | 0 | 0 | 114.2 | ||
| 22 | Y | 59.6 | Low | 62.5 | Low | 181 Ų | 181 | 139.8 Ų | 139.8 | 71% | 0.71 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -131.3 | 120 | 171.1 | -55.3 | -83.9 | 0 | 0 | 0 | 106.1 | S20 L24 | S20-Y22 PolarHBondContact O-N 3Å; S20-Y22 PolarHBondContact OG-O 2.98Å; Y22-L24 PolarHBondContact O-N 2.84Å |
| 23 | G | 54.2 | Low | 60.2 | Low | 81 Ų | 81 | 135.1 Ų | 135.1 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -70 | 52.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 24 | L | 56.1 | Low | 57.8 | Low | 132 Ų | 132 | 139.6 Ų | 139.6 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -121.3 | 133.4 | 179.5 | -74.1 | 158.1 | 0 | 0 | 0 | 108.2 | Y22 | Y22-L24 PolarHBondContact O-N 2.84Š|
| 25 | P | 53.5 | Low | 55.7 | Low | 111 Ų | 111 | 140.2 Ų | 140.2 | 72% | 0.721 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 143.9 | -178 | 24.7 | -32.9 | 0 | 0 | 0 | 110.5 | K27 | P25-K27 PolarHBondContact O-N 3.12Å; P25-K27 VanDerWaalsContact O-N 3.14Å |
| 26 | P | 54 | Low | 53.8 | Low | 128 Ų | 128 | 140 Ų | 140 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 120.4 | 179.6 | 23.8 | -31.8 | 0 | 0 | 0 | 109.6 | K28 | P26-K28 PolarHBondContact O-N 3.42Š|
| 27 | K | 50.1 | Low | 51.7 | Low | 201 Ų | 201 | 138.4 Ų | 138.4 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 126.7 | 176.1 | -143.6 | -179 | -175.7 | -177 | 0 | 107.6 | P25 D29 | P25-K27 PolarHBondContact O-N 3.12Å; P25-K27 VanDerWaalsContact O-N 3.14Å; K27-D29 PolarHBondContact O-N 3.19Å |
| 28 | K | 45.4 | Very low | 50 | Low | 202 Ų | 202 | 143.4 Ų | 143.4 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 127.5 | 176.4 | -75.5 | -178.9 | 177.1 | 178.6 | 0 | 109.9 | P26 Q30 | P26-K28 PolarHBondContact O-N 3.42Å; K28-Q30 PolarHBondContact O-N 3.14Å |
| 29 | D | 48.8 | Very low | 49 | Very low | 166 Ų | 166 | 147.1 Ų | 147.1 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 130.8 | 171.5 | -64.2 | -53.2 | 0 | 0 | 0 | 110.3 | K27 | K27-D29 PolarHBondContact O-N 3.19Š|
| 30 | Q | 44.4 | Very low | 48 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | trans | -111.1 | 134.1 | 172 | -154.5 | 167.3 | 43.4 | 0 | 0 | 108.3 | K28 | K28-Q30 PolarHBondContact O-N 3.14Š| ||
| 31 | P | 44.8 | Very low | 46.7 | Very low | 119 Ų | 119 | 146.2 Ų | 146.2 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -74.5 | 151.5 | -161 | 28.5 | -34.3 | 0 | 0 | 0 | 113.1 | G33 | P31-G33 PolarHBondContact O-N 2.89Š| ||
| 32 | A | 49.3 | Very low | 45.3 | Very low | 111 Ų | 111 | 141 Ų | 141 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | trans | -52.5 | 123.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 33 | G | 38.4 | Very low | 44.3 | Very low | 73 Ų | 73 | 140.4 Ų | 140.4 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | 175.3 | 119.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P31 | P31-G33 PolarHBondContact O-N 2.89Š| ||
| 34 | R | 36.3 | Very low | 43.5 | Very low | 235 Ų | 235 | 141.2 Ų | 141.2 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | 81.8 | 101.7 | 152 | -93.1 | -176.6 | 163.1 | 140.6 | -3.8 | 121 | ||||
| 35 | T | 42.3 | Very low | 42.5 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 73% | 0.73 | 83% | 0.827 | S | S | * | * | 52.7 | 132.6 | 118.3 | 52.1 | 0 | 0 | 0 | 0 | 122 | |||||
| 36 | T | 43.2 | Very low | 42.4 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | 88.9 | 110.3 | 150.9 | -139.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 37 | S | 36.6 | Very low | 42 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | trans | -165.5 | 115.1 | 133.2 | -166 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 38 | R | 36.7 | Very low | 41.7 | Very low | 228 Ų | 228 | 145.8 Ų | 145.8 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | 21.5 | 124.3 | 147.4 | -72.1 | 174 | 177.5 | 176.8 | -1.6 | 120.1 | ||||
| 39 | I | 43.8 | Very low | 41.6 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -60.5 | 134 | 144.8 | -57.7 | -71.8 | 0 | 0 | 0 | 109.2 | ||||
| 40 | P | 45.8 | Very low | 41.5 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | -129.4 | 121 | 114.8 | 31.3 | -18.6 | 0 | 0 | 0 | 108.8 | |||||
| 41 | G | 34.8 | Very low | 41.4 | Very low | 76 Ų | 76 | 138.6 Ų | 138.6 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | 84.1 | 91.8 | 86.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 42 | G | 33.6 | Very low | 40.9 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | 177.9 | 99.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 43 | N | 37.9 | Very low | 40.7 | Very low | 168 Ų | 168 | 139.2 Ų | 139.2 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -45.8 | 135.3 | -174.3 | -63.2 | -20.9 | 0 | 0 | 0 | 116.5 | ||||
| 44 | A | 37.4 | Very low | 40.7 | Very low | 98 Ų | 98 | 139 Ų | 139 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -154.6 | 117 | 142.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 45 | T | 36.5 | Very low | 40.7 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | trans | -57.2 | 131.9 | -172.7 | -24.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 46 | Q | 50.6 | Low | 40.8 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 84% | 0.841 | 82% | 0.819 | S | S | * | * | trans | -73.1 | 148.2 | 157.6 | -63.8 | -135.2 | -5.1 | 0 | 0 | 109.6 | ||||
| 47 | P | 45.7 | Very low | 40.6 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -119.5 | 109.2 | 143.9 | 26.1 | -10.4 | 0 | 0 | 0 | 110 | G49 | P47-G49 PolarHBondContact O-N 2.97Š| ||
| 48 | R | 43.8 | Very low | 41.5 | Very low | 233 Ų | 233 | 132.5 Ų | 132.5 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -41.7 | 125.6 | 145.4 | -175.3 | 172.5 | 178.2 | 101.9 | -3.8 | 108.5 | ||||
| 49 | G | 42 | Very low | 42 | Very low | 67 Ų | 67 | 128.9 Ų | 128.9 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | trans | -57.9 | 150 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P47 | P47-G49 PolarHBondContact O-N 2.97Š| ||
| 50 | P | 46.7 | Very low | 42 | Very low | 123 Ų | 123 | 124.1 Ų | 124.1 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | trans | -105.3 | 133.1 | 167.6 | 32.2 | -20.5 | 0 | 0 | 0 | 111.6 | ||||
| 51 | F | 42.5 | Very low | 42.3 | Very low | 213 Ų | 213 | 124.6 Ų | 124.6 | 93% | 0.934 | 80% | 0.8 | S | S | * | * | trans | -62.6 | 151.4 | 147.2 | -69 | -96 | 0 | 0 | 0 | 109.6 | ||||
| 52 | G | 35.4 | Very low | 43.1 | Very low | 71 Ų | 71 | 128.9 Ų | 128.9 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | trans | 123 | 95.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 53 | D | 43.9 | Very low | 44 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | 59.8 | 123.5 | 78.4 | -167.1 | 39.9 | 0 | 0 | 0 | 113.5 | |||||
| 54 | G | 38.4 | Very low | 44.6 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | trans | 93.6 | 102.8 | 161 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 55 | G | 37.5 | Very low | 45.5 | Very low | 76 Ų | 76 | 129.4 Ų | 129.4 | 78% | 0.784 | 78% | 0.782 | S | S | * | * | 95.3 | 110.7 | 127.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 56 | N | 44 | Very low | 46.2 | Very low | 167 Ų | 167 | 128.7 Ų | 128.7 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | 51.7 | 106 | 132.2 | -165.3 | 59.8 | 0 | 0 | 0 | 118.4 | ||||
| 57 | G | 38.7 | Very low | 46.2 | Very low | 66 Ų | 66 | 124.9 Ų | 124.9 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 175.3 | 86.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 58 | E | 54.8 | Low | 46.4 | Very low | 162 Ų | 162 | 123 Ų | 123 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | -16.3 | 137.5 | 154.8 | 63.2 | -160.8 | 104.3 | 0 | 0 | 118.1 | ||||
| 59 | N | 47.9 | Very low | 46.8 | Very low | 152 Ų | 152 | 119.9 Ų | 119.9 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 76.7 | 93.6 | 156.6 | -48.3 | -51.7 | 0 | 0 | 0 | 119.1 | ||||
| 60 | G | 43.7 | Very low | 47.2 | Very low | 61 Ų | 61 | 122.7 Ų | 122.7 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | trans | -143.8 | 130.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L62 | G60-L62 PolarHBondContact O-N 2.81Š| ||
| 61 | P | 51.5 | Low | 47.5 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -83 | 67.8 | -162.4 | 33.2 | -36 | 0 | 0 | 0 | 113.5 | ||
| 62 | L | 52.7 | Low | 47.9 | Very low | 165 Ų | 165 | 113.3 Ų | 113.3 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | trans | -139.7 | 29.7 | 177.6 | -67.6 | 177.7 | 0 | 0 | 0 | 114.3 | G60 | G60-L62 PolarHBondContact O-N 2.81Š| ||
| 63 | E | 52 | Low | 48.9 | Very low | 141 Ų | 141 | 113.8 Ų | 113.8 | 66% | 0.659 | 71% | 0.709 | S | S | * | * | trans | -129.4 | 15.2 | 174.2 | -65.1 | -148.5 | 147.9 | 0 | 0 | 114.9 | T65 I67 | E63-T65 VanDerWaalsContact C-N 3.3Å; E63-T65 PolarHBondContact O-N 3.03Å; E63-I67 HydrophobicContact CB-CD1 4.25Å; E63-I67 WeakPolarHBondContact O-CD1 2.82Å; E63-I67 WeakPolarHBondContact O-CG1 3.24Å | ||
| 64 | S | 50.4 | Low | 49.7 | Very low | 96 Ų | 96 | 110.7 Ų | 110.7 | 67% | 0.671 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -74.2 | -18.2 | -179.7 | 57 | 0 | 0 | 0 | 0 | 114.1 | ||
| 65 | T | 55.8 | Low | 51 | Low | 118 Ų | 118 | 110.5 Ų | 110.5 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -83 | -24.9 | -174.2 | -33.7 | 0 | 0 | 0 | 0 | 113.6 | E63 | E63-T65 VanDerWaalsContact C-N 3.3Å; E63-T65 PolarHBondContact O-N 3.03Å |
| 66 | N | 52.7 | Low | 52.5 | Low | 121 Ų | 121 | 108.1 Ų | 108.1 | 65% | 0.647 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -97.1 | -25.1 | -179.8 | -69.1 | -44.8 | 0 | 0 | 0 | 113.2 | I70 | N66-I70 WeakPolarHBondContact O-CG1 3.47Å |
| 67 | I | 49.7 | Very low | 54 | Low | 100 Ų | 100 | 103.1 Ų | 103.1 | 51% | 0.513 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -83.3 | -32.6 | -177.2 | -58.3 | 171.6 | 0 | 0 | 0 | 111.6 | E63 F69 I70 A71 | E63-I67 HydrophobicContact CB-CD1 4.25Å; E63-I67 WeakPolarHBondContact O-CD1 2.82Å; E63-I67 WeakPolarHBondContact O-CG1 3.24Å; I67-F69 PolarHBondContact O-N 3.16Å; I67-I70 PolarHBondContact O-N 2.87Å; I67-I70 VanDerWaalsContact O-N 3.14Å; I67-A71 PolarHBondContact O-N 3.4Å |
| 68 | A | 50.4 | Low | 56.1 | Low | 78 Ų | 78 | 103.3 Ų | 103.3 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -66.3 | -25.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 69 | F | 51.2 | Low | 57.5 | Low | 169 Ų | 169 | 102.4 Ų | 102.4 | 74% | 0.741 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -79.6 | -28.9 | 173.9 | -161.3 | -98.3 | 0 | 0 | 0 | 112.3 | I67 V73 | I67-F69 PolarHBondContact O-N 3.16Å; F69-V73 WeakPolarHBondContact O-CG2 3.46Å |
| 70 | I | 51.9 | Low | 59.4 | Low | 126 Ų | 126 | 100.2 Ų | 100.2 | 65% | 0.646 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -86.6 | -29.1 | -177 | -64.2 | -179.8 | 0 | 0 | 0 | 112.4 | N66 I67 G72 V73 | N66-I70 WeakPolarHBondContact O-CG1 3.47Å; I67-I70 PolarHBondContact O-N 2.87Å; I67-I70 VanDerWaalsContact O-N 3.14Å; I70-G72 VanDerWaalsContact C-N 3.34Å; I70-G72 PolarHBondContact O-N 2.81Å; I70-V73 WeakPolarHBondContact O-CG2 3.29Å |
| 71 | A | 51.6 | Low | 61.5 | Low | 85 Ų | 85 | 103.1 Ų | 103.1 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -17.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I67 | I67-A71 PolarHBondContact O-N 3.4Š|
| 72 | G | 52.7 | Low | 63.4 | Low | 54 Ų | 54 | 102 Ų | 102 | 56% | 0.557 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I70 | I70-G72 VanDerWaalsContact C-N 3.34Å; I70-G72 PolarHBondContact O-N 2.81Å |
| 73 | V | 55.4 | Low | 65.4 | Low | 80 Ų | 80 | 96.8 Ų | 96.8 | 49% | 0.485 | 60% | 0.597 | S | S | . | * | trans | -100.8 | -13.8 | -165 | -161.6 | 0 | 0 | 0 | 0 | 113.6 | F69 I70 G75 | F69-V73 WeakPolarHBondContact O-CG2 3.46Å; I70-V73 WeakPolarHBondContact O-CG2 3.29Å; V73-G75 PolarHBondContact O-N 3.28Å | ||
| 74 | A | 60.7 | Low | 67.3 | Low | 108 Ų | 108 | 93.8 Ų | 93.8 | 89% | 0.893 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -11.3 | -168 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 75 | G | 65.9 | Low | 69.4 | Low | 65 Ų | 65 | 91.7 Ų | 91.7 | 67% | 0.67 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.1 | -12.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | V73 | V73-G75 PolarHBondContact O-N 3.28Š|
| 76 | G | 68.3 | Low | 71.3 | Confident | 25 Ų | 25 | 90 Ų | 90 | 26% | 0.258 | 57% | 0.567 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | -14.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A78 F79 L80 | G76-A78 PolarHBondContact O-N 3.27Å; G76-F79 PolarHBondContact O-N 2.84Å; G76-F79 VanDerWaalsContact O-N 3.17Å; G76-L80 VanDerWaalsContact O-CB 3.3Å; G76-L80 WeakPolarHBondContact O-CB 3.42Å; G76-L80 VanDerWaalsContact O-CG 3.22Å; G76-L80 WeakPolarHBondContact O-CG 3.16Å; G76-L80 PolarHBondContact O-N 3.4Å |
| 77 | S | 76.5 | Confident | 73.2 | Confident | 62 Ų | 62 | 88.8 Ų | 88.8 | 43% | 0.434 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.8 | -44.6 | -171.5 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | F79 L80 L81 | S77-F79 VanDerWaalsContact C-N 3.35Å; S77-F79 PolarHBondContact O-N 3.41Å; S77-L80 PolarHBondContact O-N 3.49Å; S77-L81 WeakPolarHBondContact O-CB 3.33Å; S77-L81 WeakPolarHBondContact O-CG 3.41Å; S77-L81 PolarHBondContact O-N 3.14Å |
| 78 | A | 81.9 | Confident | 75.3 | Confident | 70 Ų | 70 | 87.6 Ų | 87.6 | 58% | 0.579 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.4 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G76 L82 | G76-A78 PolarHBondContact O-N 3.27Å; A78-L82 WeakPolarHBondContact O-CB 3.49Å; A78-L82 PolarHBondContact O-N 2.97Å |
| 79 | F | 84.8 | Confident | 77.3 | Confident | 144 Ų | 144 | 87.8 Ų | 87.8 | 63% | 0.632 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -70 | -42.6 | 178.3 | -175.9 | -100.9 | 0 | 0 | 0 | 112.2 | G76 S77 L82 V83 | G76-F79 PolarHBondContact O-N 2.84Å; G76-F79 VanDerWaalsContact O-N 3.17Å; S77-F79 VanDerWaalsContact C-N 3.35Å; S77-F79 PolarHBondContact O-N 3.41Å; F79-L82 PolarHBondContact O-N 2.86Å; F79-V83 HydrophobicContact CD1-CG2 4.18Å; F79-V83 HydrophobicContact CE1-CG2 3.82Å; F79-V83 HydrophobicContact CE2-CG2 4.35Å; F79-V83 HydrophobicContact CZ-CG2 3.92Å; F79-V83 WeakPolarHBondContact O-CB 3.35Å; F79-V83 VanDerWaalsContact O-CG2 3.27Å; F79-V83 WeakPolarHBondContact O-CG2 3.32Å; F79-V83 PolarHBondContact O-N 2.83Å |
| 80 | L | 86.9 | Confident | 79.3 | Confident | 105 Ų | 105 | 82.6 Ų | 82.6 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 175.2 | -70.1 | 175.3 | 0 | 0 | 0 | 110.9 | G76 S77 L82 V83 T84 | G76-L80 VanDerWaalsContact O-CB 3.3Å; G76-L80 WeakPolarHBondContact O-CB 3.42Å; G76-L80 VanDerWaalsContact O-CG 3.22Å; G76-L80 WeakPolarHBondContact O-CG 3.16Å; G76-L80 PolarHBondContact O-N 3.4Å; S77-L80 PolarHBondContact O-N 3.49Å; L80-L82 VanDerWaalsContact C-N 3.31Å; L80-L82 PolarHBondContact O-N 3.41Å; L80-V83 PolarHBondContact O-N 2.75Å; L80-T84 WeakPolarHBondContact O-CB 3.3Å; L80-T84 PolarHBondContact O-N 3.46Å; L80-T84 PolarHBondContact O-OG1 3.01Å |
| 81 | L | 89 | Confident | 80.9 | Confident | 123 Ų | 123 | 79.1 Ų | 79.1 | 64% | 0.644 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.6 | -41.1 | 174.3 | -72.8 | 173.5 | 0 | 0 | 0 | 111.3 | S77 A85 | S77-L81 WeakPolarHBondContact O-CB 3.33Å; S77-L81 WeakPolarHBondContact O-CG 3.41Å; S77-L81 PolarHBondContact O-N 3.14Å; L81-A85 WeakPolarHBondContact O-CB 3.4Å; L81-A85 PolarHBondContact O-N 3.05Å |
| 82 | L | 91.6 | Very high | 82.6 | Confident | 106 Ų | 106 | 81.7 Ų | 81.7 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.5 | -47.3 | 177 | -171.2 | 153 | 0 | 0 | 0 | 111.4 | A78 F79 L80 T84 A85 V86 | A78-L82 WeakPolarHBondContact O-CB 3.49Å; A78-L82 PolarHBondContact O-N 2.97Å; F79-L82 PolarHBondContact O-N 2.86Å; L80-L82 VanDerWaalsContact C-N 3.31Å; L80-L82 PolarHBondContact O-N 3.41Å; L82-T84 PolarHBondContact O-N 2.84Å; L82-A85 PolarHBondContact O-N 3.35Å; L82-V86 HydrophobicContact CD2-CG2 4.21Å; L82-V86 WeakPolarHBondContact O-CG2 3.16Å; L82-V86 PolarHBondContact O-N 2.73Å |
| 83 | V | 93.7 | Very high | 84.1 | Confident | 56 Ų | 56 | 88 Ų | 88 | 34% | 0.339 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 176.8 | 171 | 0 | 0 | 0 | 0 | 110.7 | F79 L80 V86 I87 | F79-V83 HydrophobicContact CD1-CG2 4.18Å; F79-V83 HydrophobicContact CE1-CG2 3.82Å; F79-V83 HydrophobicContact CE2-CG2 4.35Å; F79-V83 HydrophobicContact CZ-CG2 3.92Å; F79-V83 WeakPolarHBondContact O-CB 3.35Å; F79-V83 VanDerWaalsContact O-CG2 3.27Å; F79-V83 WeakPolarHBondContact O-CG2 3.32Å; F79-V83 PolarHBondContact O-N 2.83Å; L80-V83 PolarHBondContact O-N 2.75Å; V83-V86 PolarHBondContact O-N 2.66Å; V83-I87 HydrophobicContact CG1-CD1 3.82Å; V83-I87 VanDerWaalsContact O-CG1 3.25Å; V83-I87 WeakPolarHBondContact O-CG1 2.89Å; V83-I87 PolarHBondContact O-N 3.2Å |
| 84 | T | 92.3 | Very high | 85.2 | Confident | 78 Ų | 78 | 92.5 Ų | 92.5 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.8 | -60.5 | 0 | 0 | 0 | 0 | 111.6 | L80 L82 V86 I87 C88 | L80-T84 WeakPolarHBondContact O-CB 3.3Å; L80-T84 PolarHBondContact O-N 3.46Å; L80-T84 PolarHBondContact O-OG1 3.01Å; L82-T84 PolarHBondContact O-N 2.84Å; T84-V86 PolarHBondContact O-N 3.43Å; T84-I87 PolarHBondContact O-N 3.34Å; T84-C88 WeakPolarHBondContact O-CB 3.39Å; T84-C88 PolarHBondContact O-N 3.5Å; T84-C88 PolarHBondContact O-SG 3.48Å |
| 85 | A | 93.5 | Very high | 85.7 | Confident | 52 Ų | 52 | 95.6 Ų | 95.6 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -44.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L81 L82 I87 C88 V89 | L81-A85 WeakPolarHBondContact O-CB 3.4Å; L81-A85 PolarHBondContact O-N 3.05Å; L82-A85 PolarHBondContact O-N 3.35Å; A85-I87 PolarHBondContact O-N 2.85Å; A85-C88 PolarHBondContact O-N 3.29Å; A85-V89 WeakPolarHBondContact O-CG2 3.33Å; A85-V89 PolarHBondContact O-N 3.13Å |
| 86 | V | 95.5 | Very high | 85.7 | Confident | 83 Ų | 83 | 97.1 Ų | 97.1 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 175.8 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | L82 V83 T84 C88 V89 V90 | L82-V86 HydrophobicContact CD2-CG2 4.21Å; L82-V86 WeakPolarHBondContact O-CG2 3.16Å; L82-V86 PolarHBondContact O-N 2.73Å; V83-V86 PolarHBondContact O-N 2.66Å; T84-V86 PolarHBondContact O-N 3.43Å; V86-C88 PolarHBondContact O-N 3.39Å; V86-V89 PolarHBondContact O-N 2.89Å; V86-V90 HydrophobicContact CG1-CG2 4.43Å; V86-V90 WeakPolarHBondContact O-CB 3.29Å; V86-V90 VanDerWaalsContact O-CG2 3.29Å; V86-V90 WeakPolarHBondContact O-CG2 3.47Å; V86-V90 PolarHBondContact O-N 2.94Å |
| 87 | I | 94.4 | Very high | 85.3 | Confident | 95 Ų | 95 | 100 Ų | 100 | 49% | 0.487 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.7 | -67 | 165.5 | 0 | 0 | 0 | 110.7 | V83 T84 A85 V90 C91 | V83-I87 HydrophobicContact CG1-CD1 3.82Å; V83-I87 VanDerWaalsContact O-CG1 3.25Å; V83-I87 WeakPolarHBondContact O-CG1 2.89Å; V83-I87 PolarHBondContact O-N 3.2Å; T84-I87 PolarHBondContact O-N 3.34Å; A85-I87 PolarHBondContact O-N 2.85Å; I87-V90 PolarHBondContact O-N 3.36Å; I87-C91 VanDerWaalsContact O-CB 3.22Å; I87-C91 WeakPolarHBondContact O-CB 3.42Å; I87-C91 PolarHBondContact O-N 2.87Å; I87-C91 PolarHBondContact O-SG 3.21Å |
| 88 | C | 92.4 | Very high | 84.3 | Confident | 75 Ų | 75 | 105 Ų | 105 | 51% | 0.507 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 177 | -75.8 | 0 | 0 | 0 | 0 | 111.9 | T84 A85 V86 C91 Y92 | T84-C88 WeakPolarHBondContact O-CB 3.39Å; T84-C88 PolarHBondContact O-N 3.5Å; T84-C88 PolarHBondContact O-SG 3.48Å; A85-C88 PolarHBondContact O-N 3.29Å; V86-C88 PolarHBondContact O-N 3.39Å; C88-C91 PolarHBondContact O-N 2.95Å; C88-Y92 WeakPolarHBondContact O-CB 3.28Å; C88-Y92 PolarHBondContact O-N 3.48Å |
| 89 | V | 93.3 | Very high | 82.6 | Confident | 83 Ų | 83 | 107 Ų | 107 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 178 | 172 | 0 | 0 | 0 | 0 | 111.3 | A85 V86 Y92 R93 | A85-V89 WeakPolarHBondContact O-CG2 3.33Å; A85-V89 PolarHBondContact O-N 3.13Å; V86-V89 PolarHBondContact O-N 2.89Å; V89-Y92 PolarHBondContact O-N 3.27Å; V89-R93 HydrophobicContact CG1-CG 4.47Å; V89-R93 WeakPolarHBondContact O-CB 3.3Å; V89-R93 VanDerWaalsContact O-CG 3.32Å; V89-R93 WeakPolarHBondContact O-CG 3.22Å; V89-R93 PolarHBondContact O-N 3.4Å |
| 90 | V | 91.9 | Very high | 81 | Confident | 60 Ų | 60 | 104.7 Ų | 104.7 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | V86 I87 R93 R94 | V86-V90 HydrophobicContact CG1-CG2 4.43Å; V86-V90 WeakPolarHBondContact O-CB 3.29Å; V86-V90 VanDerWaalsContact O-CG2 3.29Å; V86-V90 WeakPolarHBondContact O-CG2 3.47Å; V86-V90 PolarHBondContact O-N 2.94Å; I87-V90 PolarHBondContact O-N 3.36Å; V90-R93 PolarHBondContact O-N 3.42Å; V90-R94 HydrophobicContact CG1-CG 4.31Å; V90-R94 VanDerWaalsContact O-CB 3.23Å; V90-R94 WeakPolarHBondContact O-CB 3.17Å; V90-R94 WeakPolarHBondContact O-CG 3.39Å; V90-R94 PolarHBondContact O-N 3.48Å |
| 91 | C | 87.4 | Confident | 79.2 | Confident | 52 Ų | 52 | 106 Ų | 106 | 35% | 0.351 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 176.2 | -69.7 | 0 | 0 | 0 | 0 | 111.6 | I87 C88 R94 R95 | I87-C91 VanDerWaalsContact O-CB 3.22Å; I87-C91 WeakPolarHBondContact O-CB 3.42Å; I87-C91 PolarHBondContact O-N 2.87Å; I87-C91 PolarHBondContact O-SG 3.21Å; C88-C91 PolarHBondContact O-N 2.95Å; C91-R94 PolarHBondContact O-N 2.83Å; C91-R95 WeakPolarHBondContact O-CA 3.19Å; C91-R95 WeakPolarHBondContact O-CB 3.12Å; C91-R95 WeakPolarHBondContact O-CG 3.22Å; C91-R95 PolarHBondContact O-N 2.81Å |
| 92 | Y | 85.4 | Confident | 77.4 | Confident | 140 Ų | 140 | 103.5 Ų | 103.5 | 55% | 0.549 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.5 | -52.9 | 174.2 | 179.2 | -91.9 | 0 | 0 | 0 | 109.9 | C88 V89 R94 R95 H96 | C88-Y92 WeakPolarHBondContact O-CB 3.28Å; C88-Y92 PolarHBondContact O-N 3.48Å; V89-Y92 PolarHBondContact O-N 3.27Å; Y92-R94 VanDerWaalsContact C-N 3.33Å; Y92-R94 PolarHBondContact O-N 3.13Å; Y92-R95 CarbonylContact O-C 3.6Å; Y92-R95 PolarHBondContact O-N 2.81Å; Y92-H96 AromaticContact CD1-CD2 3.83Å; Y92-H96 AromaticContact CD2-CD2 3.4Å; Y92-H96 VanDerWaalsContact CD2-CD2 3.4Å; Y92-H96 WeakPolarHBondContact CD2-CD2 3.19Å; Y92-H96 AromaticContact CD2-NE2 3.39Å; Y92-H96 WeakPolarHBondContact CD2-NE2 3.23Å; Y92-H96 AromaticContact CE1-CD2 3.71Å; Y92-H96 AromaticContact CE1-CG 3.98Å; Y92-H96 AromaticContact CE2-CD2 3.3Å; Y92-H96 WeakPolarHBondContact CE2-CD2 3.15Å; Y92-H96 AromaticContact CE2-CE1 3.63Å; Y92-H96 AromaticContact CE2-NE2 2.89Å; Y92-H96 WeakPolarHBondContact CE2-NE2 3.15Å; Y92-H96 AromaticContact CG-CD2 3.68Å; Y92-H96 AromaticContact CZ-CD2 3.43Å; Y92-H96 VanDerWaalsContact CZ-CD2 3.43Å; Y92-H96 AromaticContact CZ-CE1 3.56Å; Y92-H96 AromaticContact CZ-CG 3.89Å; Y92-H96 AromaticContact CZ-ND1 3.95Å; Y92-H96 AromaticContact CZ-NE2 3.24Å; Y92-H96 VanDerWaalsContact O-CB 3.29Å; Y92-H96 WeakPolarHBondContact O-CB 3.32Å; Y92-H96 PolarHBondContact O-CD2 2.74Å; Y92-H96 PolarHBondContact O-N 3.3Å; Y92-H96 PolarHBondContact OH-CE1 2.74Å |
| 93 | R | 85.6 | Confident | 75.3 | Confident | 185 Ų | 185 | 107.5 Ų | 107.5 | 70% | 0.698 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.8 | -39.4 | 178 | -70.3 | -179.9 | 67.1 | -170.5 | 1 | 112.6 | V89 V90 A97 | V89-R93 HydrophobicContact CG1-CG 4.47Å; V89-R93 WeakPolarHBondContact O-CB 3.3Å; V89-R93 VanDerWaalsContact O-CG 3.32Å; V89-R93 WeakPolarHBondContact O-CG 3.22Å; V89-R93 PolarHBondContact O-N 3.4Å; V90-R93 PolarHBondContact O-N 3.42Å; R93-A97 WeakPolarHBondContact O-CB 3.49Å; R93-A97 PolarHBondContact O-N 3.02Å |
| 94 | R | 77.4 | Confident | 72.8 | Confident | 175 Ų | 175 | 110.3 Ų | 110.3 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.2 | -37.6 | 176.2 | -75.8 | 179.4 | 179.7 | -165.8 | 1 | 112.6 | V90 C91 Y92 K98 | V90-R94 HydrophobicContact CG1-CG 4.31Å; V90-R94 VanDerWaalsContact O-CB 3.23Å; V90-R94 WeakPolarHBondContact O-CB 3.17Å; V90-R94 WeakPolarHBondContact O-CG 3.39Å; V90-R94 PolarHBondContact O-N 3.48Å; C91-R94 PolarHBondContact O-N 2.83Å; Y92-R94 VanDerWaalsContact C-N 3.33Å; Y92-R94 PolarHBondContact O-N 3.13Å; R94-K98 WeakPolarHBondContact O-CB 3.27Å; R94-K98 WeakPolarHBondContact O-CG 3.47Å; R94-K98 PolarHBondContact O-N 3.35Å |
| 95 | R | 71.2 | Confident | 70.6 | Confident | 174 Ų | 174 | 111.2 Ų | 111.2 | 66% | 0.657 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.6 | -45.2 | 175.8 | -75.5 | 179.6 | -174.4 | -159.7 | 3.2 | 109.9 | C91 Y92 A97 K98 H99 | C91-R95 WeakPolarHBondContact O-CA 3.19Å; C91-R95 WeakPolarHBondContact O-CB 3.12Å; C91-R95 WeakPolarHBondContact O-CG 3.22Å; C91-R95 PolarHBondContact O-N 2.81Å; Y92-R95 CarbonylContact O-C 3.6Å; Y92-R95 PolarHBondContact O-N 2.81Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 2.85Å; R95-K98 CarbonylContact O-C 3.06Å; R95-K98 VanDerWaalsContact O-CA 3.28Å; R95-K98 WeakPolarHBondContact O-CA 3.25Å; R95-K98 PolarHBondContact O-N 2.9Å; R95-H99 WeakPolarHBondContact O-CA 3.22Å; R95-H99 WeakPolarHBondContact O-CB 3.3Å; R95-H99 PolarHBondContact O-N 2.8Å |
| 96 | H | 65.5 | Low | 68.2 | Low | 97 Ų | 97 | 114.5 Ų | 114.5 | 45% | 0.449 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.4 | -31.3 | 176.2 | -80.2 | -95.5 | 0 | 0 | 0 | 113 | Y92 K98 | Y92-H96 AromaticContact CD1-CD2 3.83Å; Y92-H96 AromaticContact CD2-CD2 3.4Å; Y92-H96 VanDerWaalsContact CD2-CD2 3.4Å; Y92-H96 WeakPolarHBondContact CD2-CD2 3.19Å; Y92-H96 AromaticContact CD2-NE2 3.39Å; Y92-H96 WeakPolarHBondContact CD2-NE2 3.23Å; Y92-H96 AromaticContact CE1-CD2 3.71Å; Y92-H96 AromaticContact CE1-CG 3.98Å; Y92-H96 AromaticContact CE2-CD2 3.3Å; Y92-H96 WeakPolarHBondContact CE2-CD2 3.15Å; Y92-H96 AromaticContact CE2-CE1 3.63Å; Y92-H96 AromaticContact CE2-NE2 2.89Å; Y92-H96 WeakPolarHBondContact CE2-NE2 3.15Å; Y92-H96 AromaticContact CG-CD2 3.68Å; Y92-H96 AromaticContact CZ-CD2 3.43Å; Y92-H96 VanDerWaalsContact CZ-CD2 3.43Å; Y92-H96 AromaticContact CZ-CE1 3.56Å; Y92-H96 AromaticContact CZ-CG 3.89Å; Y92-H96 AromaticContact CZ-ND1 3.95Å; Y92-H96 AromaticContact CZ-NE2 3.24Å; Y92-H96 VanDerWaalsContact O-CB 3.29Å; Y92-H96 WeakPolarHBondContact O-CB 3.32Å; Y92-H96 PolarHBondContact O-CD2 2.74Å; Y92-H96 PolarHBondContact O-N 3.3Å; Y92-H96 PolarHBondContact OH-CE1 2.74Å; H96-K98 PolarHBondContact O-N 3.43Å |
| 97 | A | 60.8 | Low | 66 | Low | 84 Ų | 84 | 118 Ų | 118 | 69% | 0.694 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -12.2 | 168 | 0 | 0 | 0 | 0 | 0 | 113.3 | R93 R95 | R93-A97 WeakPolarHBondContact O-CB 3.49Å; R93-A97 PolarHBondContact O-N 3.02Å; R95-A97 VanDerWaalsContact C-N 3.32Å; R95-A97 PolarHBondContact O-N 2.85Å |
| 98 | K | 54.8 | Low | 63.5 | Low | 168 Ų | 168 | 118.1 Ų | 118.1 | 73% | 0.73 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 10.3 | 179.3 | -62 | -172.5 | 178 | -149.8 | 0 | 113.9 | R94 R95 H96 | R94-K98 WeakPolarHBondContact O-CB 3.27Å; R94-K98 WeakPolarHBondContact O-CG 3.47Å; R94-K98 PolarHBondContact O-N 3.35Å; R95-K98 CarbonylContact O-C 3.06Å; R95-K98 VanDerWaalsContact O-CA 3.28Å; R95-K98 WeakPolarHBondContact O-CA 3.25Å; R95-K98 PolarHBondContact O-N 2.9Å; H96-K98 PolarHBondContact O-N 3.43Å |
| 99 | H | 46.6 | Very low | 61.4 | Low | 111 Ų | 111 | 123.3 Ų | 123.3 | 51% | 0.514 | 63% | 0.632 | S | S | . | * | trans | -130.2 | 35.1 | 180 | -92.1 | 32.5 | 0 | 0 | 0 | 109 | R95 D101 | R95-H99 WeakPolarHBondContact O-CA 3.22Å; R95-H99 WeakPolarHBondContact O-CB 3.3Å; R95-H99 PolarHBondContact O-N 2.8Å; H99-D101 PolarHBondContact O-N 2.78Å | ||
| 100 | S | 51.5 | Low | 59.2 | Low | 97 Ų | 97 | 124.4 Ų | 124.4 | 68% | 0.678 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -70.6 | 116 | 135.1 | -61.3 | 0 | 0 | 0 | 0 | 105.3 | ||
| 101 | D | 50.2 | Low | 57 | Low | 132 Ų | 132 | 126.3 Ų | 126.3 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 82.2 | 62 | 174 | -53.5 | -43.4 | 0 | 0 | 0 | 118.8 | H99 H104 | H99-D101 PolarHBondContact O-N 2.78Å; D101-H104 PolarHBondContact O-CE1 3.28Å; D101-H104 PolarHBondContact O-NE2 3.29Å; D101-H104 VanDerWaalsContact O-NE2 3.14Å |
| 102 | T | 49.3 | Very low | 55.1 | Low | 70 Ų | 70 | 132.4 Ų | 132.4 | 43% | 0.429 | 69% | 0.688 | S | S | . | * | trans | -135.3 | 57.6 | 149.2 | -47.4 | 0 | 0 | 0 | 0 | 110.4 | H104 | T102-H104 WeakPolarHBondContact CG2-CD2 3.09Å; T102-H104 PolarHBondContact O-N 3.29Å | ||
| 103 | H | 48 | Very low | 53.3 | Low | 190 Ų | 190 | 130.9 Ų | 130.9 | 88% | 0.88 | 69% | 0.693 | S | S | * | * | trans | -85.4 | 42.4 | 153.4 | -78.4 | -80.1 | 0 | 0 | 0 | 110.4 | ||||
| 104 | H | 42.4 | Very low | 51.2 | Low | 115 Ų | 115 | 126.9 Ų | 126.9 | 53% | 0.532 | 69% | 0.694 | S | S | . | * | trans | -99.6 | 115.9 | 166.2 | -6.6 | -70.9 | 0 | 0 | 0 | 107.2 | D101 T102 | D101-H104 PolarHBondContact O-CE1 3.28Å; D101-H104 PolarHBondContact O-NE2 3.29Å; D101-H104 VanDerWaalsContact O-NE2 3.14Å; T102-H104 WeakPolarHBondContact CG2-CD2 3.09Å; T102-H104 PolarHBondContact O-N 3.29Å | ||
| 105 | P | 45.9 | Very low | 49.3 | Very low | 98 Ų | 98 | 125.1 Ų | 125.1 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | trans | -58.7 | 156.9 | 169.8 | 27.3 | -32.3 | 0 | 0 | 0 | 109 | L107 | P105-L107 PolarHBondContact O-N 3.49Š| ||
| 106 | P | 43 | Very low | 47.9 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 78% | 0.779 | 71% | 0.711 | S | S | * | * | trans | -54 | 111.2 | 179.3 | 23.6 | -33.3 | 0 | 0 | 0 | 108.9 | S108 | P106-S108 PolarHBondContact O-N 2.83Š| ||
| 107 | L | 48.2 | Very low | 46.9 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -66.7 | 89.7 | 170.9 | -68.5 | 173 | 0 | 0 | 0 | 106.5 | P105 L109 | P105-L107 PolarHBondContact O-N 3.49Å; L107-L109 PolarHBondContact O-N 3Å | ||
| 108 | S | 41.8 | Very low | 45.9 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -47.4 | 126.5 | 167.1 | -61.2 | 0 | 0 | 0 | 0 | 108.9 | P106 S110 | P106-S108 PolarHBondContact O-N 2.83Å; S108-S110 PolarHBondContact O-N 3Å | ||
| 109 | L | 49.6 | Very low | 45.3 | Very low | 185 Ų | 185 | 127.8 Ų | 127.8 | 97% | 0.969 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -63.1 | 63.7 | 167.6 | -74 | 160.3 | 0 | 0 | 0 | 110.6 | L107 | L107-L109 PolarHBondContact O-N 3Š|
| 110 | S | 47.2 | Very low | 45.2 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | trans | -159 | 71.6 | 179.4 | -79.4 | 0 | 0 | 0 | 0 | 109.9 | S108 | S108-S110 PolarHBondContact O-N 3Š| ||
| 111 | S | 44.7 | Very low | 44.9 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -162.3 | 58.8 | 146.8 | -123.6 | 0 | 0 | 0 | 0 | 109.9 | T113 | S111-T113 PolarHBondContact O-N 3.14Å; S111-T113 PolarHBondContact OG-O 3.44Å | ||
| 112 | L | 47.2 | Very low | 44.3 | Very low | 181 Ų | 181 | 123.3 Ų | 123.3 | 95% | 0.948 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -70 | 38.4 | 151.1 | -103.1 | 163.4 | 0 | 0 | 0 | 110.2 | ||
| 113 | T | 47.6 | Very low | 44.4 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 66% | 0.656 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -154 | 117.6 | 165.9 | 73.9 | 0 | 0 | 0 | 0 | 107.5 | S111 | S111-T113 PolarHBondContact O-N 3.14Å; S111-T113 PolarHBondContact OG-O 3.44Å |
| 114 | S | 42.5 | Very low | 44.1 | Very low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | 27.2 | 116 | 150.5 | -150.9 | 0 | 0 | 0 | 0 | 119.8 | K116 | S114-K116 VanDerWaalsContact C-N 3.34Å; S114-K116 PolarHBondContact O-N 3.17Å | ||
| 115 | P | 37.8 | Very low | 44.7 | Very low | 137 Ų | 137 | 125.3 Ų | 125.3 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -74.5 | 89.8 | 161 | -6 | 23.7 | 0 | 0 | 0 | 109.5 | ||||
| 116 | K | 41.8 | Very low | 44.8 | Very low | 183 Ų | 183 | 126 Ų | 126 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | trans | -80 | 112.7 | 156.8 | -176.2 | 166.1 | 179.5 | 174.7 | 0 | 107.9 | S114 | S114-K116 VanDerWaalsContact C-N 3.34Å; S114-K116 PolarHBondContact O-N 3.17Å | ||
| 117 | R | 43.2 | Very low | 45 | Very low | 236 Ų | 236 | 127 Ų | 127 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | 80.2 | 123.1 | 151.7 | -132.4 | 170 | -169.7 | -173.7 | 1.3 | 117.6 | ||||
| 118 | G | 40.3 | Very low | 45.2 | Very low | 76 Ų | 76 | 127 Ų | 127 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -68.7 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 119 | G | 41.8 | Very low | 45.5 | Very low | 84 Ų | 84 | 130.1 Ų | 130.1 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | -79.5 | 173.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 120 | G | 45.3 | Very low | 45.6 | Very low | 82 Ų | 82 | 124.9 Ų | 124.9 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | trans | 72.1 | 89.4 | 137.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 121 | G | 44.8 | Very low | 45.4 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | trans | 48.1 | 115.5 | 133.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 122 | G | 38.8 | Very low | 45.6 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 164.1 | 106.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T124 | G122-T124 PolarHBondContact O-N 3.3Š| ||
| 123 | I | 49.8 | Very low | 45.7 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | trans | -35.4 | 120.5 | 162.8 | 40 | 161.2 | 0 | 0 | 0 | 113.6 | ||||
| 124 | T | 42.4 | Very low | 46 | Very low | 135 Ų | 135 | 125 Ų | 125 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | 176.9 | 122.9 | 128 | 48.8 | 0 | 0 | 0 | 0 | 109.9 | G122 | G122-T124 PolarHBondContact O-N 3.3Š| |||
| 125 | S | 54.7 | Low | 46.4 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -48.1 | 129.3 | 160.4 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 126 | S | 49.2 | Very low | 47.3 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -167.2 | 147.6 | 145.8 | -158.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 127 | N | 45.6 | Very low | 48 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -86.2 | 161.5 | -158.4 | -61.3 | -36.1 | 0 | 0 | 0 | 114.3 | ||||
| 128 | N | 52.6 | Low | 48.5 | Very low | 155 Ų | 155 | 120.8 Ų | 120.8 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -58.8 | 130.3 | 169.6 | -45.7 | -49 | 0 | 0 | 0 | 110.9 | ||||
| 129 | N | 49.3 | Very low | 48.9 | Very low | 164 Ų | 164 | 122.7 Ų | 122.7 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | trans | 178.2 | 124.8 | 139.3 | -97.6 | 7.5 | 0 | 0 | 0 | 110.3 | ||||
| 130 | G | 50.8 | Low | 49.1 | Very low | 74 Ų | 74 | 126.3 Ų | 126.3 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | 67.1 | 100.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 131 | S | 43.8 | Very low | 49.3 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 164.6 | 93.8 | 135.4 | -85.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 132 | E | 48.1 | Very low | 49.1 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -31.3 | 124.1 | 148.4 | 43.4 | -169.7 | 97 | 0 | 0 | 113.2 | S134 | E132-S134 PolarHBondContact O-N 3.39Š| ||
| 133 | P | 49.2 | Very low | 49.6 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | -92.5 | 85.6 | 162.4 | 31.4 | -24.7 | 0 | 0 | 0 | 108.9 | D135 | P133-D135 PolarHBondContact O-N 2.96Š| ||
| 134 | S | 53.9 | Low | 49.4 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 62% | 0.615 | 77% | 0.774 | S | S | * | * | trans | -65.2 | 99.3 | 154.4 | -59.9 | 0 | 0 | 0 | 0 | 107.3 | E132 | E132-S134 PolarHBondContact O-N 3.39Š| ||
| 135 | D | 51 | Low | 49.9 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | trans | 175.9 | 65.9 | 154.7 | -87.4 | -18.4 | 0 | 0 | 0 | 109.6 | P133 I137 | P133-D135 PolarHBondContact O-N 2.96Å; D135-I137 VanDerWaalsContact C-N 3.31Å; D135-I137 PolarHBondContact O-N 3.42Å; D135-I137 VanDerWaalsContact O-N 3.12Å | ||
| 136 | I | 56.2 | Low | 49.9 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | trans | -74.9 | 96.4 | 157.3 | -63.5 | 170.9 | 0 | 0 | 0 | 105.2 | I138 | I136-I138 HydrophobicContact CG2-CG1 3.98Å; I136-I138 PolarHBondContact O-N 2.75Å | ||
| 137 | I | 56.6 | Low | 49.7 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -65.9 | 91 | 163.9 | -59.4 | 171.3 | 0 | 0 | 0 | 106 | D135 P139 | D135-I137 VanDerWaalsContact C-N 3.31Å; D135-I137 PolarHBondContact O-N 3.42Å; D135-I137 VanDerWaalsContact O-N 3.12Å; I137-P139 VanDerWaalsContact O-CD 3.24Å; I137-P139 WeakPolarHBondContact O-CD 3.36Å | ||
| 138 | I | 54.5 | Low | 49.7 | Very low | 121 Ų | 121 | 134 Ų | 134 | 62% | 0.621 | 76% | 0.764 | S | S | * | * | trans | -62.5 | 116.2 | 164.2 | -58.6 | 165.9 | 0 | 0 | 0 | 105.2 | I136 L140 | I136-I138 HydrophobicContact CG2-CG1 3.98Å; I136-I138 PolarHBondContact O-N 2.75Å; I138-L140 VanDerWaalsContact C-N 3.28Å; I138-L140 PolarHBondContact O-N 2.86Å | ||
| 139 | P | 49.4 | Very low | 49.6 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | -64.1 | 104.6 | 158.8 | -10.2 | 26.4 | 0 | 0 | 0 | 105.2 | I137 R141 | I137-P139 VanDerWaalsContact O-CD 3.24Å; I137-P139 WeakPolarHBondContact O-CD 3.36Å; P139-R141 PolarHBondContact O-N 2.99Å; P139-R141 VanDerWaalsContact O-N 3.16Å | ||
| 140 | L | 45.9 | Very low | 49.6 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -45.4 | 125.5 | 169.2 | -83.7 | 152.7 | 0 | 0 | 0 | 107.3 | I138 T142 | I138-L140 VanDerWaalsContact C-N 3.28Å; I138-L140 PolarHBondContact O-N 2.86Å; L140-T142 PolarHBondContact O-N 2.88Å | ||
| 141 | R | 48.1 | Very low | 49.4 | Very low | 216 Ų | 216 | 133.7 Ų | 133.7 | 82% | 0.815 | 73% | 0.733 | S | S | * | * | trans | -44.5 | 113.9 | -178.6 | -67.1 | -161.5 | 149.5 | 92.9 | 6.1 | 111.3 | P139 S143 | P139-R141 PolarHBondContact O-N 2.99Å; P139-R141 VanDerWaalsContact O-N 3.16Å; R141-S143 VanDerWaalsContact C-N 3.29Å; R141-S143 WeakPolarHBondContact CD-OG 3.38Å | ||
| 142 | T | 40.4 | Very low | 49.8 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 87% | 0.865 | 72% | 0.723 | S | S | * | * | trans | -98.7 | 71.4 | 136.1 | 41.3 | 0 | 0 | 0 | 0 | 106.9 | L140 D144 | L140-T142 PolarHBondContact O-N 2.88Å; T142-D144 PolarHBondContact O-N 3.11Å | ||
| 143 | S | 49.3 | Very low | 50.1 | Low | 80 Ų | 80 | 135.7 Ų | 135.7 | 56% | 0.559 | 73% | 0.726 | S | S | * | * | trans | -70.2 | 77.2 | 155.9 | -63.5 | 0 | 0 | 0 | 0 | 107.7 | R141 | R141-S143 VanDerWaalsContact C-N 3.29Å; R141-S143 WeakPolarHBondContact CD-OG 3.38Å | ||
| 144 | D | 46.4 | Very low | 50.1 | Low | 150 Ų | 150 | 135.2 Ų | 135.2 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | trans | -160.6 | 98.8 | 147.5 | -101.5 | -32.6 | 0 | 0 | 0 | 109.1 | T142 | T142-D144 PolarHBondContact O-N 3.11Š| ||
| 145 | S | 53.6 | Low | 50 | Low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | trans | 45.1 | 105.1 | 130.8 | 169.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 146 | A | 53.1 | Low | 50.3 | Low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | trans | 78.7 | 82.4 | 143.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 147 | Y | 45.3 | Very low | 50.3 | Low | 185 Ų | 185 | 133.1 Ų | 133.1 | 73% | 0.725 | 73% | 0.73 | S | S | * | * | trans | -152.7 | 87 | 133.5 | -154 | -103.9 | 0 | 0 | 0 | 111.3 | P149 | Y147-P149 HydrophobicContact CD1-CG 4.29Å; Y147-P149 HydrophobicContact CE1-CB 4.06Å; Y147-P149 HydrophobicContact CE1-CG 4Å | ||
| 148 | C | 47.1 | Very low | 49.9 | Very low | 111 Ų | 111 | 133 Ų | 133 | 75% | 0.75 | 72% | 0.721 | S | S | * | * | trans | -103.7 | 106.3 | 161.7 | -166.4 | 0 | 0 | 0 | 0 | 105.6 | H150 | C148-H150 PolarHBondContact O-N 3.46Š| ||
| 149 | P | 48.8 | Very low | 50.4 | Low | 80 Ų | 80 | 129.9 Ų | 129.9 | 52% | 0.519 | 72% | 0.72 | S | S | . | * | trans | -74.7 | 77.7 | 168.5 | 29.4 | -27.4 | 0 | 0 | 0 | 107 | Y147 Y151 | Y147-P149 HydrophobicContact CD1-CG 4.29Å; Y147-P149 HydrophobicContact CE1-CB 4.06Å; Y147-P149 HydrophobicContact CE1-CG 4Å; P149-Y151 VanDerWaalsContact C-N 3.29Å; P149-Y151 PolarHBondContact O-N 3.09Å | ||
| 150 | H | 49.7 | Very low | 50.2 | Low | 137 Ų | 137 | 133 Ų | 133 | 63% | 0.634 | 72% | 0.724 | S | S | * | * | trans | -66.2 | 94.9 | 165 | -174.8 | -72.8 | 0 | 0 | 0 | 106.6 | C148 E152 | C148-H150 PolarHBondContact O-N 3.46Å; H150-E152 IonicContact CE1-OE2 3.59Å; H150-E152 WeakPolarHBondContact ND1-CB 3.31Å; H150-E152 PolarHBondContact ND1-N 3.17Å; H150-E152 PolarHBondContact O-N 3.06Å | ||
| 151 | Y | 47.6 | Very low | 50.9 | Low | 168 Ų | 168 | 129.4 Ų | 129.4 | 66% | 0.659 | 71% | 0.71 | S | S | * | * | trans | -71.4 | 79.8 | 167.6 | -90.9 | -69.8 | 0 | 0 | 0 | 108.5 | P149 K153 Y158 | P149-Y151 VanDerWaalsContact C-N 3.29Å; P149-Y151 PolarHBondContact O-N 3.09Å; Y151-K153 PolarHBondContact O-N 2.94Å; Y151-Y158 HydrophobicContact CD1-CE1 4.08Å; Y151-Y158 AromaticContact CD1-CZ 3.76Å; Y151-Y158 WeakPolarHBondContact CD1-OH 2.96Å; Y151-Y158 AromaticContact CE1-CE1 3.56Å; Y151-Y158 HydrophobicContact CE1-CE1 3.56Å; Y151-Y158 AromaticContact CE1-CZ 3.75Å; Y151-Y158 VanDerWaalsContact CE1-OH 3.24Å; Y151-Y158 WeakPolarHBondContact CE1-OH 3.41Å | ||
| 152 | E | 52.3 | Low | 51.5 | Low | 131 Ų | 131 | 125 Ų | 125 | 61% | 0.612 | 71% | 0.707 | S | S | * | * | trans | -69.4 | 116 | 162.1 | -162.9 | 162 | 154.1 | 0 | 0 | 106.7 | H150 V154 | H150-E152 IonicContact CE1-OE2 3.59Å; H150-E152 WeakPolarHBondContact ND1-CB 3.31Å; H150-E152 PolarHBondContact ND1-N 3.17Å; H150-E152 PolarHBondContact O-N 3.06Å; E152-V154 VanDerWaalsContact C-N 3.26Å; E152-V154 WeakPolarHBondContact O-CG2 3.43Å; E152-V154 PolarHBondContact O-N 3.36Å | ||
| 153 | K | 53.1 | Low | 52.4 | Low | 193 Ų | 193 | 128 Ų | 128 | 84% | 0.839 | 70% | 0.704 | S | S | * | * | trans | -61.8 | 91.4 | 169.4 | -86.3 | -174.7 | 176.1 | -180 | 0 | 109 | Y151 | Y151-K153 PolarHBondContact O-N 2.94Š| ||
| 154 | V | 50.2 | Low | 53 | Low | 115 Ų | 115 | 130.1 Ų | 130.1 | 70% | 0.697 | 71% | 0.707 | S | S | * | * | trans | -89.2 | 131.6 | 160.2 | -146.3 | 0 | 0 | 0 | 0 | 106.7 | E152 G156 | E152-V154 VanDerWaalsContact C-N 3.26Å; E152-V154 WeakPolarHBondContact O-CG2 3.43Å; E152-V154 PolarHBondContact O-N 3.36Å; V154-G156 PolarHBondContact O-N 3.32Å | ||
| 155 | S | 52.2 | Low | 53.7 | Low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -35.4 | 129.3 | -176.4 | -67 | 0 | 0 | 0 | 0 | 114.9 | D157 | S155-D157 PolarHBondContact O-N 3.47Å; S155-D157 VanDerWaalsContact O-N 3.14Å |
| 156 | G | 56.1 | Low | 53.6 | Low | 72 Ų | 72 | 130.8 Ų | 130.8 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 88.4 | -24.9 | 130.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | V154 | V154-G156 PolarHBondContact O-N 3.32Š|
| 157 | D | 57.5 | Low | 53.7 | Low | 156 Ų | 156 | 134.5 Ų | 134.5 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | trans | -121.6 | 50.6 | -170.1 | -66.1 | -36 | 0 | 0 | 0 | 113.3 | S155 G159 | S155-D157 PolarHBondContact O-N 3.47Å; S155-D157 VanDerWaalsContact O-N 3.14Å; D157-G159 VanDerWaalsContact C-N 3.3Å; D157-G159 PolarHBondContact O-N 3.03Å | ||
| 158 | Y | 47.9 | Very low | 54.4 | Low | 147 Ų | 147 | 132.8 Ų | 132.8 | 58% | 0.576 | 70% | 0.703 | S | S | * | * | trans | -69 | 90.5 | 168.9 | -96.2 | -95.9 | 0 | 0 | 0 | 109.8 | Y151 | Y151-Y158 HydrophobicContact CD1-CE1 4.08Å; Y151-Y158 AromaticContact CD1-CZ 3.76Å; Y151-Y158 WeakPolarHBondContact CD1-OH 2.96Å; Y151-Y158 AromaticContact CE1-CE1 3.56Å; Y151-Y158 HydrophobicContact CE1-CE1 3.56Å; Y151-Y158 AromaticContact CE1-CZ 3.75Å; Y151-Y158 VanDerWaalsContact CE1-OH 3.24Å; Y151-Y158 WeakPolarHBondContact CE1-OH 3.41Å | ||
| 159 | G | 65.3 | Low | 54.9 | Low | 57 Ų | 57 | 132.8 Ų | 132.8 | 59% | 0.588 | 70% | 0.702 | S | S | * | * | trans | -58.1 | 158.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D157 | D157-G159 VanDerWaalsContact C-N 3.3Å; D157-G159 PolarHBondContact O-N 3.03Å | ||
| 160 | H | 44 | Very low | 55 | Low | 182 Ų | 182 | 134.9 Ų | 134.9 | 84% | 0.843 | 72% | 0.716 | S | S | * | * | trans | -38.8 | 126.2 | -178.4 | -131.1 | 56.6 | 0 | 0 | 0 | 112.1 | V162 | H160-V162 PolarHBondContact O-N 3.31Š| ||
| 161 | P | 61.9 | Low | 55.2 | Low | 84 Ų | 84 | 137.9 Ų | 137.9 | 55% | 0.545 | 73% | 0.73 | S | S | . | * | trans | -63.9 | 113.5 | 179.5 | 25.7 | -32 | 0 | 0 | 0 | 109 | Y163 | P161-Y163 PolarHBondContact O-N 3.14Š| ||
| 162 | V | 59.1 | Low | 55.6 | Low | 125 Ų | 125 | 134.6 Ų | 134.6 | 76% | 0.758 | 73% | 0.732 | S | S | * | * | trans | -74.1 | 111.3 | 170 | 179.5 | 0 | 0 | 0 | 0 | 106.4 | H160 I164 | H160-V162 PolarHBondContact O-N 3.31Å; V162-I164 PolarHBondContact O-N 3.38Å | ||
| 163 | Y | 59.6 | Low | 55.6 | Low | 203 Ų | 203 | 133.7 Ų | 133.7 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | trans | -63.7 | 102.7 | 165.4 | -63.7 | -85.2 | 0 | 0 | 0 | 107.2 | P161 V165 | P161-Y163 PolarHBondContact O-N 3.14Å; Y163-V165 VanDerWaalsContact C-N 3.32Å; Y163-V165 PolarHBondContact O-N 3.45Å | ||
| 164 | I | 61.8 | Low | 55.5 | Low | 125 Ų | 125 | 128.6 Ų | 128.6 | 64% | 0.641 | 73% | 0.731 | S | S | * | * | trans | -74 | 98.5 | 168.2 | -41.4 | 172.6 | 0 | 0 | 0 | 104.6 | V162 Q166 | V162-I164 PolarHBondContact O-N 3.38Å; I164-Q166 PolarHBondContact O-N 2.94Å | ||
| 165 | V | 62.2 | Low | 55.6 | Low | 106 Ų | 106 | 128.7 Ų | 128.7 | 64% | 0.642 | 73% | 0.727 | S | S | * | * | trans | -62.3 | 109.3 | 165.1 | 178.3 | 0 | 0 | 0 | 0 | 105 | Y163 E167 | Y163-V165 VanDerWaalsContact C-N 3.32Å; Y163-V165 PolarHBondContact O-N 3.45Å; V165-E167 HydrophobicContact CG1-CG 4.17Å; V165-E167 PolarHBondContact O-N 2.76Å | ||
| 166 | Q | 52.1 | Low | 56.1 | Low | 166 Ų | 166 | 129.4 Ų | 129.4 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -69.2 | 84.9 | 169 | -171.6 | 163.5 | 27.8 | 0 | 0 | 106.3 | I164 M168 | I164-Q166 PolarHBondContact O-N 2.94Å; Q166-M168 PolarHBondContact O-N 2.82Å | ||
| 167 | E | 54.3 | Low | 56.2 | Low | 167 Ų | 167 | 135.3 Ų | 135.3 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | trans | -60.8 | 103.6 | 169.9 | -72.5 | -105.4 | 149.4 | 0 | 0 | 106.9 | V165 | V165-E167 HydrophobicContact CG1-CG 4.17Å; V165-E167 PolarHBondContact O-N 2.76Å | ||
| 168 | M | 60.5 | Low | 55.9 | Low | 149 Ų | 149 | 137.8 Ų | 137.8 | 73% | 0.734 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 136.7 | 165.3 | -94.5 | 74.7 | 162.9 | 0 | 0 | 108.1 | Q166 | Q166-M168 PolarHBondContact O-N 2.82Š|
| 169 | P | 56.6 | Low | 56.2 | Low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 137.6 | 167.3 | -18.8 | 29.4 | 0 | 0 | 0 | 108.7 | Q171 | P169-Q171 PolarHBondContact O-N 2.93Š|
| 170 | P | 51.2 | Low | 55.5 | Low | 124 Ų | 124 | 147.2 Ų | 147.2 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 116.1 | 177.9 | -21.1 | 29.9 | 0 | 0 | 0 | 109 | S172 | P170-S172 PolarHBondContact O-N 3.14Š|
| 171 | Q | 54.9 | Low | 56.1 | Low | 199 Ų | 199 | 145.5 Ų | 145.5 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -70.9 | 83.5 | 171.9 | -160 | 172.4 | 13.9 | 0 | 0 | 106.9 | P169 | P169-Q171 PolarHBondContact O-N 2.93Š| ||
| 172 | S | 54.6 | Low | 55.8 | Low | 100 Ų | 100 | 148.7 Ų | 148.7 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -77.6 | 159 | 175.9 | 84.4 | 0 | 0 | 0 | 0 | 110.5 | P170 | P170-S172 PolarHBondContact O-N 3.14Š| ||
| 173 | P | 51.8 | Low | 55.6 | Low | 111 Ų | 111 | 150.1 Ų | 150.1 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | cis | -117.6 | 156.9 | -36.8 | 32.8 | -19.2 | 0 | 0 | 0 | 110.3 | N175 | P173-N175 PolarHBondContact O-N 3.44Š| ||
| 174 | A | 52.8 | Low | 55.4 | Low | 86 Ų | 86 | 146.9 Ų | 146.9 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | -61 | 119.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | I176 | A174-I176 VanDerWaalsContact O-CG1 3.23Å; A174-I176 WeakPolarHBondContact O-CG1 3.47Å; A174-I176 PolarHBondContact O-N 3.36Å | ||
| 175 | N | 51.6 | Low | 55 | Low | 117 Ų | 117 | 148.3 Ų | 148.3 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | trans | -62 | 98.7 | 169.7 | 178.2 | 1.5 | 0 | 0 | 0 | 108.8 | P173 Y177 | P173-N175 PolarHBondContact O-N 3.44Å; N175-Y177 WeakPolarHBondContact ND2-CE2 3.49Å | ||
| 176 | I | 61.4 | Low | 54.5 | Low | 131 Ų | 131 | 151.1 Ų | 151.1 | 67% | 0.672 | 79% | 0.79 | S | S | * | * | trans | -92.5 | 105.1 | 175.8 | -26.7 | 178.6 | 0 | 0 | 0 | 107.4 | A174 Y178 | A174-I176 VanDerWaalsContact O-CG1 3.23Å; A174-I176 WeakPolarHBondContact O-CG1 3.47Å; A174-I176 PolarHBondContact O-N 3.36Å; I176-Y178 PolarHBondContact O-N 3.46Å | ||
| 177 | Y | 59 | Low | 54.7 | Low | 195 Ų | 195 | 150.1 Ų | 150.1 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | trans | -68.9 | 114.3 | 169.5 | -77.8 | -93.5 | 0 | 0 | 0 | 109 | N175 K179 | N175-Y177 WeakPolarHBondContact ND2-CE2 3.49Å; Y177-K179 PolarHBondContact O-N 3.35Å | ||
| 178 | Y | 52 | Low | 54.7 | Low | 208 Ų | 208 | 148.8 Ų | 148.8 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -76.2 | 108.5 | 159.5 | -80.7 | -85.2 | 0 | 0 | 0 | 108 | I176 V180 | I176-Y178 PolarHBondContact O-N 3.46Å; Y178-V180 PolarHBondContact O-N 3.46Å | ||
| 179 | K | 52.8 | Low | 54.2 | Low | 202 Ų | 202 | 148.8 Ų | 148.8 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -69.2 | 119.3 | 165.6 | -176 | 176.9 | -179 | 178 | 0 | 107.8 | Y177 | Y177-K179 PolarHBondContact O-N 3.35Š| ||
| 180 | V | 51.8 | Low | 54 | Low | 201 Ų | 201 | 152.2 Ų | 152.2 | 100% | 1.218 | 80% | 0.804 | S | S | * | * | trans | -101.7 | 0 | 160 | -170 | 0 | 0 | 0 | 0 | 107.2 | Y178 | Y178-V180 PolarHBondContact O-N 3.46Š|
Retrieved 180 of 180 residues in 156.8 ms
(Link to these results)