| 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 | 24.7 | Very low | 38.9 | Very low | 243 Ų | 243 | 158.4 Ų | 158.4 | 100% | 1.197 | 90% | 0.897 | S | S | * | * | 0 | 145.4 | 0 | -82.9 | -175.5 | 164.2 | 0 | 0 | 108.9 | |||||
| 2 | P | 56.5 | Low | 39.3 | Very low | 121 Ų | 121 | 155.8 Ų | 155.8 | 79% | 0.786 | 90% | 0.895 | S | S | * | * | trans | -91.7 | 157.2 | -156.2 | 36.7 | -34.6 | 0 | 0 | 0 | 113.3 | ||||
| 3 | S | 35.2 | Very low | 39.6 | Very low | 124 Ų | 124 | 156.2 Ų | 156.2 | 87% | 0.867 | 89% | 0.89 | S | S | * | * | trans | -177.6 | 118.8 | 152.1 | 10.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 4 | G | 37.8 | Very low | 39.9 | Very low | 77 Ų | 77 | 157.1 Ų | 157.1 | 79% | 0.794 | 89% | 0.89 | S | S | * | * | cis | 103.1 | 92.5 | 40.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 5 | C | 30.3 | Very low | 39.9 | Very low | 139 Ų | 139 | 155.6 Ų | 155.6 | 94% | 0.939 | 89% | 0.891 | S | S | * | * | trans | -118.2 | 104.6 | 164.8 | -88.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 6 | R | 38.8 | Very low | 40.3 | Very low | 247 Ų | 247 | 155.8 Ų | 155.8 | 93% | 0.932 | 89% | 0.886 | S | S | * | * | trans | -92.6 | 123.4 | 163.6 | -76 | -176.1 | 169.4 | -162.5 | -2.7 | 107.5 | L8 | R6-L8 PolarHBondContact O-N 3.45Š| ||
| 7 | C | 35.4 | Very low | 40.6 | Very low | 130 Ų | 130 | 156.9 Ų | 156.9 | 88% | 0.878 | 89% | 0.888 | S | S | * | * | trans | -67 | 126.1 | 166.8 | -77.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 8 | L | 36.6 | Very low | 40.3 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 88% | 0.88 | 88% | 0.882 | S | S | * | * | trans | -105 | 107 | 169 | -151.8 | 80.3 | 0 | 0 | 0 | 108.8 | R6 L10 | R6-L8 PolarHBondContact O-N 3.45Å; L8-L10 PolarHBondContact O-N 3.19Å | ||
| 9 | H | 47.7 | Very low | 40.1 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 84% | 0.838 | 88% | 0.877 | S | S | * | * | trans | -60.4 | 107.6 | 163.6 | -95.4 | -92.1 | 0 | 0 | 0 | 109.1 | ||||
| 10 | L | 42.2 | Very low | 40.4 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 84% | 0.838 | 88% | 0.876 | S | S | * | * | trans | -173 | 38.1 | 146.6 | -131.2 | 85.1 | 0 | 0 | 0 | 117.2 | L8 | L8-L10 PolarHBondContact O-N 3.19Š| ||
| 11 | V | 42.6 | Very low | 40.6 | Very low | 152 Ų | 152 | 144.6 Ų | 144.6 | 92% | 0.921 | 87% | 0.867 | S | S | * | * | trans | -142.2 | 78 | 165.3 | -167.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 12 | C | 43.8 | Very low | 41.6 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 87% | 0.865 | 85% | 0.851 | S | S | * | * | trans | -130.8 | 49.4 | 178.7 | -161.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 13 | L | 43.4 | Very low | 41.2 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 84% | 0.838 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -143.9 | 11 | -176.4 | -109.9 | 155.9 | 0 | 0 | 0 | 118.4 | ||
| 14 | L | 43.5 | Very low | 41.7 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 89% | 0.89 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -139.4 | 46.6 | 179.7 | -77.1 | 175.4 | 0 | 0 | 0 | 116 | ||
| 15 | C | 39.3 | Very low | 42.2 | Very low | 134 Ų | 134 | 147 Ų | 147 | 91% | 0.905 | 84% | 0.84 | S | S | * | * | trans | -140.7 | 50.7 | 168.4 | -79.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 16 | I | 47.6 | Very low | 43.2 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | trans | -99.4 | 126.4 | 160.7 | -51.9 | -179.4 | 0 | 0 | 0 | 106.1 | ||||
| 17 | L | 44.4 | Very low | 43.9 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | 107.1 | 79.5 | 177.7 | -54.7 | 175.1 | 0 | 0 | 0 | 115.4 | ||||
| 18 | G | 35 | Very low | 45.2 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -167.7 | 131.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 19 | A | 37.7 | Very low | 46.5 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | trans | -58.1 | 162.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | G21 | A19-G21 PolarHBondContact O-N 3.04Å; A19-G21 VanDerWaalsContact O-N 3.17Å | ||
| 20 | P | 45.7 | Very low | 47.2 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | -80.5 | 103.7 | -168 | 33 | -30.3 | 0 | 0 | 0 | 111 | ||||
| 21 | G | 44.1 | Very low | 48.4 | Very low | 67 Ų | 67 | 120.7 Ų | 120.7 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | -90.9 | 119.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | A19 P23 | A19-G21 PolarHBondContact O-N 3.04Å; A19-G21 VanDerWaalsContact O-N 3.17Å; G21-P23 WeakPolarHBondContact O-CD 3.35Å | ||
| 22 | Q | 45.9 | Very low | 50.2 | Low | 185 Ų | 185 | 118.8 Ų | 118.8 | 86% | 0.864 | 71% | 0.71 | S | S | * | * | trans | -50.1 | 123.5 | 176.7 | -73.2 | 168.3 | -80.1 | 0 | 0 | 110.1 | V24 | Q22-V24 PolarHBondContact O-N 3.13Å; Q22-V24 VanDerWaalsContact O-N 3.1Å | ||
| 23 | P | 47.1 | Very low | 52.2 | Low | 121 Ų | 121 | 113.2 Ų | 113.2 | 79% | 0.786 | 67% | 0.672 | S | S | * | * | trans | -67.6 | 110.2 | 159.5 | 27.1 | -28 | 0 | 0 | 0 | 106.2 | G21 R25 | G21-P23 WeakPolarHBondContact O-CD 3.35Å; P23-R25 PolarHBondContact O-N 2.98Å | ||
| 24 | V | 46.7 | Very low | 54.4 | Low | 113 Ų | 113 | 108.2 Ų | 108.2 | 69% | 0.685 | 65% | 0.647 | S | S | * | * | trans | -53.9 | 125.2 | 163.8 | 177.2 | 0 | 0 | 0 | 0 | 106.2 | Q22 A26 | Q22-V24 PolarHBondContact O-N 3.13Å; Q22-V24 VanDerWaalsContact O-N 3.1Å; V24-A26 PolarHBondContact O-N 3.1Å | ||
| 25 | R | 48 | Very low | 56.4 | Low | 197 Ų | 197 | 104.6 Ų | 104.6 | 74% | 0.743 | 63% | 0.628 | S | S | * | * | trans | -65.3 | 114 | -169.3 | -159 | -179.6 | -178.1 | 169.3 | 2.2 | 108.8 | P23 D27 | P23-R25 PolarHBondContact O-N 2.98Å; R25-D27 HydrophobicContact CG-CB 4.02Å; R25-D27 IonicContact NE-OD2 2.87Å; R25-D27 PolarHBondContact NE-OD2 3.24Å; R25-D27 PolarHBondContact O-N 3.35Å | ||
| 26 | A | 50.7 | Low | 58.7 | Low | 65 Ų | 65 | 101.6 Ų | 101.6 | 54% | 0.537 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.1 | 18.8 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | V24 | V24-A26 PolarHBondContact O-N 3.1Š|
| 27 | D | 54.4 | Low | 60.8 | Low | 119 Ų | 119 | 96.4 Ų | 96.4 | 64% | 0.636 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -6.9 | -174.3 | -67.2 | -30 | 0 | 0 | 0 | 113.9 | R25 | R25-D27 HydrophobicContact CG-CB 4.02Å; R25-D27 IonicContact NE-OD2 2.87Å; R25-D27 PolarHBondContact NE-OD2 3.24Å; R25-D27 PolarHBondContact O-N 3.35Å |
| 28 | D | 62.8 | Low | 62.9 | Low | 122 Ų | 122 | 88.5 Ų | 88.5 | 65% | 0.652 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -107.6 | 16.7 | -172 | -154.8 | 22 | 0 | 0 | 0 | 114.5 | S31 | D28-S31 PolarHBondContact O-OG 2.98Š|
| 29 | C | 64 | Low | 65.4 | Low | 6 Ų | 6 | 87.8 Ų | 87.8 | 4% | 0.041 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -96.4 | -30.6 | -172.5 | -154.3 | 0 | 0 | 0 | 0 | 112.2 | S31 H32 C33 C40 | C29-S31 VanDerWaalsContact C-N 3.27Å; C29-S31 PolarHBondContact O-N 2.92Å; C29-H32 PolarHBondContact O-N 2.78Å; C29-C33 PolarHBondContact O-N 3.21Å; C29-C33 PolarHBondContact O-SG 3.25Å; C29-C33 PolarHBondContact SG-SG 3.3Å; C29-C40 HydrophobicContact CB-CB 3.65Å; C29-C40 WeakPolarHBondContact CB-SG 3.28Å; C29-C40 WeakPolarHBondContact SG-CB 3.36Å; C29-C40 CovalentContact SG-SG 2.01Å; C29-C40 PolarHBondContact SG-SG 3.33Å |
| 30 | S | 61.3 | Low | 67.8 | Low | 82 Ų | 82 | 85.6 Ų | 85.6 | 57% | 0.573 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -18.9 | -175.4 | -44.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 31 | S | 68.7 | Low | 69.6 | Low | 78 Ų | 78 | 79.6 Ų | 79.6 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -19.6 | 176.9 | 46.5 | 0 | 0 | 0 | 0 | 112.8 | D28 C29 | D28-S31 PolarHBondContact O-OG 2.98Å; C29-S31 VanDerWaalsContact C-N 3.27Å; C29-S31 PolarHBondContact O-N 2.92Å |
| 32 | H | 79.3 | Confident | 71.2 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 52% | 0.519 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -27.3 | -170.7 | -68.1 | -67.6 | 0 | 0 | 0 | 113.7 | C29 H56 | C29-H32 PolarHBondContact O-N 2.78Å; H32-H56 WeakPolarHBondContact O-CB 3.35Å; H32-H56 PolarHBondContact O-ND1 3.09Å |
| 33 | C | 86.2 | Confident | 73 | Confident | 10 Ų | 10 | 78.8 Ų | 78.8 | 7% | 0.068 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -83.6 | 135.1 | 172.1 | -55.8 | 0 | 0 | 0 | 0 | 111 | C29 L35 C46 | C29-C33 PolarHBondContact O-N 3.21Å; C29-C33 PolarHBondContact O-SG 3.25Å; C29-C33 PolarHBondContact SG-SG 3.3Å; C33-L35 HydrophobicContact CB-CD2 4.16Å; C33-L35 PolarHBondContact O-N 3.29Å; C33-C46 WeakPolarHBondContact CA-SG 3.45Å; C33-C46 HydrophobicContact CB-CB 3.94Å; C33-C46 WeakPolarHBondContact CB-SG 3.04Å; C33-C46 VanDerWaalsContact SG-CA 3.57Å; C33-C46 WeakPolarHBondContact SG-CB 3.05Å; C33-C46 CovalentContact SG-SG 2.02Å; C33-C46 PolarHBondContact SG-SG 3.28Å |
| 34 | D | 89.2 | Confident | 74.4 | Confident | 56 Ų | 56 | 75 Ų | 75 | 30% | 0.299 | 44% | 0.443 | S | S | . | . | trans | -70.9 | 93.7 | 165.2 | -170.2 | -10.1 | 0 | 0 | 0 | 109.4 | A36 H37 G38 H56 | D34-A36 PolarHBondContact O-N 3.49Å; D34-A36 VanDerWaalsContact OD1-CB 3.28Å; D34-A36 WeakPolarHBondContact OD1-CB 3.29Å; D34-A36 PolarHBondContact OD1-N 2.75Å; D34-H37 CarbonylContact O-C 3.29Å; D34-H37 PolarHBondContact O-N 3Å; D34-H37 IonicContact OD1-ND1 3.68Å; D34-H37 IonicContact OD2-CE1 3.47Å; D34-H37 IonicContact OD2-CG 3.98Å; D34-H37 IonicContact OD2-ND1 2.85Å; D34-H37 PolarHBondContact OD2-ND1 2.69Å; D34-G38 PolarHBondContact O-N 3.22Å; D34-G38 VanDerWaalsContact O-N 3.17Å; D34-H56 WeakPolarHBondContact CB-O 3.5Å; D34-H56 PolarHBondContact N-O 2.96Å | ||
| 35 | L | 86.3 | Confident | 76.3 | Confident | 93 Ų | 93 | 72.2 Ų | 72.2 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -7.8 | -179 | -61.7 | 178.2 | 0 | 0 | 0 | 113.2 | C33 H37 | C33-L35 HydrophobicContact CB-CD2 4.16Å; C33-L35 PolarHBondContact O-N 3.29Å; L35-H37 VanDerWaalsContact C-N 3.26Å |
| 36 | A | 87.8 | Confident | 78.2 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 59% | 0.587 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -20.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D34 | D34-A36 PolarHBondContact O-N 3.49Å; D34-A36 VanDerWaalsContact OD1-CB 3.28Å; D34-A36 WeakPolarHBondContact OD1-CB 3.29Å; D34-A36 PolarHBondContact OD1-N 2.75Å |
| 37 | H | 90.8 | Very high | 80.1 | Confident | 51 Ų | 51 | 68.7 Ų | 68.7 | 24% | 0.236 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -132.1 | 16.3 | -170 | -55.5 | 133.2 | 0 | 0 | 0 | 112.9 | D34 L35 D49 W52 | D34-H37 CarbonylContact O-C 3.29Å; D34-H37 PolarHBondContact O-N 3Å; D34-H37 IonicContact OD1-ND1 3.68Å; D34-H37 IonicContact OD2-CE1 3.47Å; D34-H37 IonicContact OD2-CG 3.98Å; D34-H37 IonicContact OD2-ND1 2.85Å; D34-H37 PolarHBondContact OD2-ND1 2.69Å; L35-H37 VanDerWaalsContact C-N 3.26Å; H37-D49 WeakPolarHBondContact O-CB 3.21Å; H37-D49 PolarHBondContact O-N 2.82Å; H37-W52 HydrophobicContact CB-CB 4.31Å; H37-W52 HydrophobicContact CB-CD2 3.66Å; H37-W52 HydrophobicContact CB-CE3 4.14Å; H37-W52 HydrophobicContact CB-CG 3.7Å; H37-W52 AromaticContact CD2-CE2 3.4Å; H37-W52 VanDerWaalsContact CD2-CE2 3.4Å; H37-W52 AromaticContact CD2-CZ2 3.37Å; H37-W52 WeakPolarHBondContact CD2-CZ2 3.46Å; H37-W52 AromaticContact CD2-NE1 3.59Å; H37-W52 AromaticContact CE1-CH2 3.5Å; H37-W52 AromaticContact CE1-CZ2 3.63Å; H37-W52 AromaticContact CG-CD2 3.68Å; H37-W52 AromaticContact CG-CE2 3.47Å; H37-W52 VanDerWaalsContact CG-CE2 3.47Å; H37-W52 AromaticContact CG-CZ2 3.67Å; H37-W52 AromaticContact CG-NE1 3.83Å; H37-W52 AromaticContact ND1-CE3 3.97Å; H37-W52 AromaticContact ND1-CH2 3.7Å; H37-W52 AromaticContact ND1-CZ2 3.82Å; H37-W52 AromaticContact ND1-CZ3 3.76Å; H37-W52 AromaticContact NE2-CE2 3.92Å; H37-W52 AromaticContact NE2-CH2 3.72Å; H37-W52 AromaticContact NE2-CZ2 3.36Å; H37-W52 WeakPolarHBondContact NE2-CZ2 3.35Å |
| 38 | G | 88.8 | Confident | 82 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 9% | 0.093 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.6 | -174.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | D34 R47 D49 | D34-G38 PolarHBondContact O-N 3.22Å; D34-G38 VanDerWaalsContact O-N 3.17Å; G38-R47 CarbonylContact C-O 3.59Å; G38-R47 VanDerWaalsContact CA-O 3.28Å; G38-R47 WeakPolarHBondContact CA-O 3.44Å; G38-D49 PolarHBondContact N-OD2 3.23Å |
| 39 | C | 88.4 | Confident | 83.5 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 156.2 | -178.7 | 58.1 | 0 | 0 | 0 | 0 | 111.7 | R47 | C39-R47 PolarHBondContact N-O 3.39Å; C39-R47 PolarHBondContact O-N 3.08Å |
| 40 | C | 87.6 | Confident | 85 | Confident | 49 Ų | 49 | 67.7 Ų | 67.7 | 33% | 0.331 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 132.3 | 176.3 | -170.2 | 0 | 0 | 0 | 0 | 112 | C29 | C29-C40 HydrophobicContact CB-CB 3.65Å; C29-C40 WeakPolarHBondContact CB-SG 3.28Å; C29-C40 WeakPolarHBondContact SG-CB 3.36Å; C29-C40 CovalentContact SG-SG 2.01Å; C29-C40 PolarHBondContact SG-SG 3.33Å |
| 41 | A | 84.2 | Confident | 86.5 | Confident | 7 Ų | 7 | 64 Ų | 64 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | trans | -83.6 | 157.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D43 G44 S45 | A41-D43 WeakPolarHBondContact CB-OD1 3.15Å; A41-D43 PolarHBondContact O-N 3.38Å; A41-G44 PolarHBondContact O-N 2.86Å; A41-S45 WeakPolarHBondContact CB-O 3.2Å; A41-S45 PolarHBondContact N-O 2.7Å | ||
| 42 | P | 77.9 | Confident | 87.8 | Confident | 122 Ų | 122 | 62.2 Ų | 62.2 | 79% | 0.792 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.9 | -177.2 | -24.2 | 34.5 | 0 | 0 | 0 | 115.3 | G44 | P42-G44 VanDerWaalsContact C-N 3.33Š|
| 43 | D | 83 | Confident | 88.5 | Confident | 113 Ų | 113 | 60.8 Ų | 60.8 | 60% | 0.604 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 1.8 | 176.8 | 64.4 | -11 | 0 | 0 | 0 | 113.4 | A41 S45 | A41-D43 WeakPolarHBondContact CB-OD1 3.15Å; A41-D43 PolarHBondContact O-N 3.38Å; D43-S45 WeakPolarHBondContact OD1-CB 3.12Å; D43-S45 PolarHBondContact OD1-N 2.69Å; D43-S45 VanDerWaalsContact OD1-N 3.12Å; D43-S45 PolarHBondContact OD1-OG 3.44Å; D43-S45 PolarHBondContact OD2-OG 2.04Å |
| 44 | G | 77.4 | Confident | 88.7 | Confident | 41 Ų | 41 | 61.4 Ų | 61.4 | 42% | 0.423 | 37% | 0.367 | S | S | . | . | S | Bend | trans | 85.5 | 6.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A41 P42 | A41-G44 PolarHBondContact O-N 2.86Å; P42-G44 VanDerWaalsContact C-N 3.33Å |
| 45 | S | 84.9 | Confident | 88.7 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 38% | 0.378 | 39% | 0.386 | S | S | . | . | trans | -86.7 | 151.6 | 175.3 | 67.5 | 0 | 0 | 0 | 0 | 112.8 | A41 D43 | A41-S45 WeakPolarHBondContact CB-O 3.2Å; A41-S45 PolarHBondContact N-O 2.7Å; D43-S45 WeakPolarHBondContact OD1-CB 3.12Å; D43-S45 PolarHBondContact OD1-N 2.69Å; D43-S45 VanDerWaalsContact OD1-N 3.12Å; D43-S45 PolarHBondContact OD1-OG 3.44Å; D43-S45 PolarHBondContact OD2-OG 2.04Å | ||
| 46 | C | 89 | Confident | 88.9 | Confident | 28 Ų | 28 | 63.8 Ų | 63.8 | 19% | 0.189 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 127.5 | 173.5 | -49.7 | 0 | 0 | 0 | 0 | 110.6 | C33 L55 | C33-C46 WeakPolarHBondContact CA-SG 3.45Å; C33-C46 HydrophobicContact CB-CB 3.94Å; C33-C46 WeakPolarHBondContact CB-SG 3.04Å; C33-C46 VanDerWaalsContact SG-CA 3.57Å; C33-C46 WeakPolarHBondContact SG-CB 3.05Å; C33-C46 CovalentContact SG-SG 2.02Å; C33-C46 PolarHBondContact SG-SG 3.28Å; C46-L55 VanDerWaalsContact CB-O 3.32Å; C46-L55 WeakPolarHBondContact CB-O 3.14Å; C46-L55 PolarHBondContact SG-O 2.97Å |
| 47 | R | 91.3 | Very high | 89.1 | Confident | 161 Ų | 161 | 60.4 Ų | 60.4 | 61% | 0.608 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 110.4 | 170.2 | -179.6 | -174.5 | -59.1 | -84.2 | -6 | 108.9 | G38 C39 | G38-R47 CarbonylContact C-O 3.59Å; G38-R47 VanDerWaalsContact CA-O 3.28Å; G38-R47 WeakPolarHBondContact CA-O 3.44Å; C39-R47 PolarHBondContact N-O 3.39Å; C39-R47 PolarHBondContact O-N 3.08Å |
| 48 | C | 93.5 | Very high | 89.1 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 147 | -175.8 | -50.8 | 0 | 0 | 0 | 0 | 113.1 | W52 C57 | C48-W52 HydrophobicContact CB-CB 4.12Å; C48-W52 VanDerWaalsContact CB-O 3.29Å; C48-W52 WeakPolarHBondContact CB-O 3.24Å; C48-C57 WeakPolarHBondContact CA-SG 3.29Å; C48-C57 HydrophobicContact CB-CB 3.68Å; C48-C57 WeakPolarHBondContact CB-SG 3.39Å; C48-C57 PolarHBondContact N-SG 3.43Å; C48-C57 VanDerWaalsContact N-SG 3.38Å; C48-C57 WeakPolarHBondContact SG-CA 3.26Å; C48-C57 WeakPolarHBondContact SG-CB 3.41Å; C48-C57 CovalentContact SG-SG 2.05Å; C48-C57 PolarHBondContact SG-SG 2.78Å |
| 49 | D | 94.3 | Very high | 89.4 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 155.8 | 172.4 | -70.8 | -29.8 | 0 | 0 | 0 | 110.8 | H37 G38 G51 W52 | H37-D49 WeakPolarHBondContact O-CB 3.21Å; H37-D49 PolarHBondContact O-N 2.82Å; G38-D49 PolarHBondContact N-OD2 3.23Å; D49-G51 PolarHBondContact O-N 2.6Å; D49-G51 VanDerWaalsContact O-N 3.09Å; D49-W52 PolarHBondContact O-N 3.45Å |
| 50 | P | 94.8 | Very high | 89.7 | Confident | 119 Ų | 119 | 66.3 Ų | 66.3 | 77% | 0.773 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 119.7 | 179.9 | -26.5 | 35.2 | 0 | 0 | 0 | 112.4 | ||
| 51 | G | 93.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 65.5 Ų | 65.5 | 5% | 0.052 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 98.5 | 3.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | D49 V61 P74 W75 | D49-G51 PolarHBondContact O-N 2.6Å; D49-G51 VanDerWaalsContact O-N 3.09Å; G51-V61 WeakPolarHBondContact O-CB 3.14Å; G51-V61 PolarHBondContact O-N 3Å; G51-P74 WeakPolarHBondContact O-CB 3.45Å; G51-P74 WeakPolarHBondContact O-CG 3.31Å; G51-W75 VanDerWaalsContact CA-CZ2 3.49Å |
| 52 | W | 95.2 | Very high | 90.6 | Very high | 41 Ų | 41 | 70.3 Ų | 70.3 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 147 | 170.7 | -63.6 | 93.9 | 0 | 0 | 0 | 111.1 | H37 C48 D49 R59 C60 P74 | H37-W52 HydrophobicContact CB-CB 4.31Å; H37-W52 HydrophobicContact CB-CD2 3.66Å; H37-W52 HydrophobicContact CB-CE3 4.14Å; H37-W52 HydrophobicContact CB-CG 3.7Å; H37-W52 AromaticContact CD2-CE2 3.4Å; H37-W52 VanDerWaalsContact CD2-CE2 3.4Å; H37-W52 AromaticContact CD2-CZ2 3.37Å; H37-W52 WeakPolarHBondContact CD2-CZ2 3.46Å; H37-W52 AromaticContact CD2-NE1 3.59Å; H37-W52 AromaticContact CE1-CH2 3.5Å; H37-W52 AromaticContact CE1-CZ2 3.63Å; H37-W52 AromaticContact CG-CD2 3.68Å; H37-W52 AromaticContact CG-CE2 3.47Å; H37-W52 VanDerWaalsContact CG-CE2 3.47Å; H37-W52 AromaticContact CG-CZ2 3.67Å; H37-W52 AromaticContact CG-NE1 3.83Å; H37-W52 AromaticContact ND1-CE3 3.97Å; H37-W52 AromaticContact ND1-CH2 3.7Å; H37-W52 AromaticContact ND1-CZ2 3.82Å; H37-W52 AromaticContact ND1-CZ3 3.76Å; H37-W52 AromaticContact NE2-CE2 3.92Å; H37-W52 AromaticContact NE2-CH2 3.72Å; H37-W52 AromaticContact NE2-CZ2 3.36Å; H37-W52 WeakPolarHBondContact NE2-CZ2 3.35Å; C48-W52 HydrophobicContact CB-CB 4.12Å; C48-W52 VanDerWaalsContact CB-O 3.29Å; C48-W52 WeakPolarHBondContact CB-O 3.24Å; D49-W52 PolarHBondContact O-N 3.45Å; W52-R59 CarbonylContact C-O 3.53Å; W52-R59 WeakPolarHBondContact CA-O 3.32Å; W52-C60 HydrophobicContact CE3-CB 4.45Å; W52-C60 HydrophobicContact CZ3-CB 4.3Å; W52-P74 HydrophobicContact CD2-CG 4.28Å; W52-P74 HydrophobicContact CG-CG 4.49Å; W52-P74 HydrophobicContact CZ2-CG 3.97Å |
| 53 | E | 93.7 | Very high | 91.4 | Very high | 81 Ų | 81 | 66.9 Ų | 66.9 | 38% | 0.379 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 173 | -178.2 | 64.3 | 173.2 | -164.5 | 0 | 0 | 111 | R59 V61 | E53-R59 HydrophobicContact CG-CB 4.16Å; E53-R59 PolarHBondContact N-O 3.2Å; E53-R59 PolarHBondContact O-N 3.23Å; E53-R59 VanDerWaalsContact O-N 3.07Å; E53-R59 VanDerWaalsContact O-O 3.11Å; E53-V61 HydrophobicContact CB-CG2 3.69Å; E53-V61 HydrophobicContact CG-CG2 3.72Å |
| 54 | G | 90.8 | Very high | 91.9 | Very high | 24 Ų | 24 | 66 Ų | 66 | 25% | 0.247 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 108.5 | 166.8 | -172 | 0 | 0 | 0 | 0 | 0 | 111.5 | H56 | G54-H56 PolarHBondContact O-N 2.85Š|
| 55 | L | 89.4 | Confident | 92.5 | Very high | 135 Ų | 135 | 66.5 Ų | 66.5 | 71% | 0.707 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -68.6 | -21 | 178.7 | -172.5 | 64.7 | 0 | 0 | 0 | 111.2 | C46 | C46-L55 VanDerWaalsContact CB-O 3.32Å; C46-L55 WeakPolarHBondContact CB-O 3.14Å; C46-L55 PolarHBondContact SG-O 2.97Å |
| 56 | H | 90.6 | Very high | 93 | Very high | 64 Ų | 64 | 64.7 Ų | 64.7 | 30% | 0.296 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -124.7 | 9.1 | -172.9 | -59.9 | -47.9 | 0 | 0 | 0 | 112.7 | H32 D34 G54 E58 | H32-H56 WeakPolarHBondContact O-CB 3.35Å; H32-H56 PolarHBondContact O-ND1 3.09Å; D34-H56 WeakPolarHBondContact CB-O 3.5Å; D34-H56 PolarHBondContact N-O 2.96Å; G54-H56 PolarHBondContact O-N 2.85Å; H56-E58 WeakPolarHBondContact CA-OE2 3.18Å; H56-E58 WeakPolarHBondContact CB-OE2 3.34Å; H56-E58 PolarHBondContact N-OE2 2.99Å; H56-E58 PolarHBondContact O-N 2.84Å |
| 57 | C | 92.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.359 | C | S | . | . | S | Bend | trans | 60.7 | 28.8 | -178.2 | -47.7 | 0 | 0 | 0 | 0 | 114.3 | C48 | C48-C57 WeakPolarHBondContact CA-SG 3.29Å; C48-C57 HydrophobicContact CB-CB 3.68Å; C48-C57 WeakPolarHBondContact CB-SG 3.39Å; C48-C57 PolarHBondContact N-SG 3.43Å; C48-C57 VanDerWaalsContact N-SG 3.38Å; C48-C57 WeakPolarHBondContact SG-CA 3.26Å; C48-C57 WeakPolarHBondContact SG-CB 3.41Å; C48-C57 CovalentContact SG-SG 2.05Å; C48-C57 PolarHBondContact SG-SG 2.78Å |
| 58 | E | 91 | Very high | 93.1 | Very high | 89 Ų | 89 | 64.4 Ų | 64.4 | 42% | 0.416 | 34% | 0.344 | S | S | . | . | trans | -91.2 | -11 | -172.8 | 75.4 | -68.8 | 174.5 | 0 | 0 | 113.7 | H56 | H56-E58 WeakPolarHBondContact CA-OE2 3.18Å; H56-E58 WeakPolarHBondContact CB-OE2 3.34Å; H56-E58 PolarHBondContact N-OE2 2.99Å; H56-E58 PolarHBondContact O-N 2.84Å | ||
| 59 | R | 93.9 | Very high | 93 | Very high | 139 Ų | 139 | 62.6 Ų | 62.6 | 53% | 0.525 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.2 | -178.5 | -64.5 | -172.4 | -69.3 | 145.8 | 6.2 | 111 | W52 E53 | W52-R59 CarbonylContact C-O 3.53Å; W52-R59 WeakPolarHBondContact CA-O 3.32Å; E53-R59 HydrophobicContact CG-CB 4.16Å; E53-R59 PolarHBondContact N-O 3.2Å; E53-R59 PolarHBondContact O-N 3.23Å; E53-R59 VanDerWaalsContact O-N 3.07Å; E53-R59 VanDerWaalsContact O-O 3.11Å |
| 60 | C | 95.8 | Very high | 93 | Very high | 15 Ų | 15 | 62.3 Ų | 62.3 | 10% | 0.101 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 143.7 | 170 | 51 | 0 | 0 | 0 | 0 | 110.6 | W52 R62 C71 | W52-C60 HydrophobicContact CE3-CB 4.45Å; W52-C60 HydrophobicContact CZ3-CB 4.3Å; C60-R62 PolarHBondContact O-N 2.81Å; C60-C71 VanDerWaalsContact C-SG 3.51Å; C60-C71 HydrophobicContact CB-CB 4.1Å; C60-C71 WeakPolarHBondContact CB-SG 3.41Å; C60-C71 PolarHBondContact O-SG 3.48Å; C60-C71 WeakPolarHBondContact SG-CB 3.23Å; C60-C71 PolarHBondContact SG-O 3.29Å; C60-C71 CovalentContact SG-SG 2.03Å; C60-C71 PolarHBondContact SG-SG 3.01Å |
| 61 | V | 95.8 | Very high | 93 | Very high | 32 Ų | 32 | 57.6 Ų | 57.6 | 19% | 0.194 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 120.2 | 167.9 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | G51 E53 W75 | G51-V61 WeakPolarHBondContact O-CB 3.14Å; G51-V61 PolarHBondContact O-N 3Å; E53-V61 HydrophobicContact CB-CG2 3.69Å; E53-V61 HydrophobicContact CG-CG2 3.72Å; V61-W75 HydrophobicContact CB-CH2 4.37Å; V61-W75 HydrophobicContact CB-CZ3 4.19Å; V61-W75 HydrophobicContact CG1-CE3 4.2Å; V61-W75 HydrophobicContact CG1-CH2 3.95Å; V61-W75 HydrophobicContact CG1-CZ3 3.53Å; V61-W75 PolarHBondContact O-N 3.37Å |
| 62 | R | 95.4 | Very high | 93 | Very high | 108 Ų | 108 | 63.9 Ų | 63.9 | 41% | 0.408 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 157 | 175.7 | -65.2 | -178.6 | -67.1 | 165.6 | 4.9 | 111 | C60 C66 G69 C71 Q76 | C60-R62 PolarHBondContact O-N 2.81Å; R62-C66 HydrophobicContact CB-CB 4.06Å; R62-G69 WeakPolarHBondContact CD-O 2.99Å; R62-G69 PolarHBondContact NH1-O 3.38Å; R62-C71 HydrophobicContact CG-CB 4.07Å; R62-C71 VanDerWaalsContact CG-SG 3.57Å; R62-Q76 WeakPolarHBondContact CA-O 3.35Å |
| 63 | M | 94.1 | Very high | 92.9 | Very high | 49 Ų | 49 | 67 Ų | 67 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 132.6 | 173.9 | -166.3 | 175.2 | -66.7 | 0 | 0 | 110.6 | G65 C66 W75 Q76 C77 K86 F87 | M63-G65 PolarHBondContact O-N 3.4Å; M63-C66 WeakPolarHBondContact O-CB 3.47Å; M63-C66 PolarHBondContact O-N 3Å; M63-W75 WeakPolarHBondContact CE-O 3.19Å; M63-Q76 PolarHBondContact N-O 3.09Å; M63-C77 HydrophobicContact CB-CB 4.11Å; M63-K86 HydrophobicContact SD-CG 4.16Å; M63-F87 HydrophobicContact CG-CD1 4.47Å; M63-F87 HydrophobicContact CG-CE1 4.08Å; M63-F87 HydrophobicContact SD-CD1 4.19Å; M63-F87 HydrophobicContact SD-CE1 3.71Å |
| 64 | P | 93.8 | Very high | 93 | Very high | 94 Ų | 94 | 64.6 Ų | 64.6 | 61% | 0.61 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 125.3 | 177.4 | -26.1 | 34.6 | 0 | 0 | 0 | 110.9 | W75 F87 | P64-W75 HydrophobicContact CG-CE3 4.45Å; P64-W75 HydrophobicContact CG-CZ3 4.18Å; P64-F87 VanDerWaalsContact O-CE1 3.29Å; P64-F87 WeakPolarHBondContact O-CE1 3.04Å |
| 65 | G | 90.6 | Very high | 93.1 | Very high | 53 Ų | 53 | 69.4 Ų | 69.4 | 55% | 0.546 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | -4.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | M63 Q67 | M63-G65 PolarHBondContact O-N 3.4Å; G65-Q67 PolarHBondContact O-N 2.87Å; G65-Q67 VanDerWaalsContact O-N 3.15Å |
| 66 | C | 94.2 | Very high | 93.3 | Very high | 15 Ų | 15 | 66.5 Ų | 66.5 | 10% | 0.101 | 33% | 0.331 | C | S | . | . | trans | -62.2 | 112 | 174.7 | -170 | 0 | 0 | 0 | 0 | 111.3 | R62 M63 C77 F87 | R62-C66 HydrophobicContact CB-CB 4.06Å; M63-C66 WeakPolarHBondContact O-CB 3.47Å; M63-C66 PolarHBondContact O-N 3Å; C66-C77 VanDerWaalsContact CA-SG 3.54Å; C66-C77 HydrophobicContact CB-CB 3.76Å; C66-C77 WeakPolarHBondContact CB-SG 3.48Å; C66-C77 WeakPolarHBondContact SG-CB 3.41Å; C66-C77 CovalentContact SG-SG 2.03Å; C66-C77 PolarHBondContact SG-SG 2.84Å; C66-F87 WeakPolarHBondContact CA-O 3.32Å | ||
| 67 | Q | 93.3 | Very high | 93.5 | Very high | 120 Ų | 120 | 64.5 Ų | 64.5 | 56% | 0.561 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -89.1 | -62.3 | -178.8 | -59.8 | -169.6 | 30 | 0 | 0 | 111.1 | G65 F87 D89 | G65-Q67 PolarHBondContact O-N 2.87Å; G65-Q67 VanDerWaalsContact O-N 3.15Å; Q67-F87 PolarHBondContact N-O 2.03Å; Q67-D89 HydrophobicContact CG-CB 4.45Å |
| 68 | H | 90.4 | Very high | 93.4 | Very high | 63 Ų | 63 | 67.7 Ų | 67.7 | 29% | 0.292 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -117.4 | 59.1 | -172.9 | -54.1 | 95.2 | 0 | 0 | 0 | 112.4 | H80 W83 C88 | H68-H80 PolarHBondContact O-N 2.81Å; H68-W83 HydrophobicContact CB-CB 4.06Å; H68-W83 HydrophobicContact CB-CD2 3.48Å; H68-W83 VanDerWaalsContact CB-CD2 3.48Å; H68-W83 HydrophobicContact CB-CE3 4.12Å; H68-W83 HydrophobicContact CB-CG 3.41Å; H68-W83 VanDerWaalsContact CB-CG 3.41Å; H68-W83 HydrophobicContact CB-CZ2 4.5Å; H68-W83 AromaticContact CD2-CE2 3.7Å; H68-W83 AromaticContact CD2-CZ2 3.71Å; H68-W83 AromaticContact CD2-NE1 3.96Å; H68-W83 AromaticContact CE1-CE2 3.91Å; H68-W83 AromaticContact CE1-CH2 3.22Å; H68-W83 WeakPolarHBondContact CE1-CH2 3.33Å; H68-W83 AromaticContact CE1-CZ2 3.41Å; H68-W83 VanDerWaalsContact CE1-CZ2 3.41Å; H68-W83 WeakPolarHBondContact CE1-CZ2 3.38Å; H68-W83 AromaticContact CE1-CZ3 3.57Å; H68-W83 AromaticContact CG-CD2 3.47Å; H68-W83 VanDerWaalsContact CG-CD2 3.47Å; H68-W83 AromaticContact CG-CE2 3.34Å; H68-W83 AromaticContact CG-CE3 3.87Å; H68-W83 AromaticContact CG-CG 3.97Å; H68-W83 AromaticContact CG-CZ2 3.67Å; H68-W83 AromaticContact CG-NE1 3.74Å; H68-W83 AromaticContact ND1-CD2 3.45Å; H68-W83 AromaticContact ND1-CE2 3.49Å; H68-W83 AromaticContact ND1-CE3 3.32Å; H68-W83 VanDerWaalsContact ND1-CE3 3.32Å; H68-W83 AromaticContact ND1-CH2 3.37Å; H68-W83 WeakPolarHBondContact ND1-CH2 3.17Å; H68-W83 AromaticContact ND1-CZ2 3.47Å; H68-W83 WeakPolarHBondContact ND1-CZ2 3.41Å; H68-W83 AromaticContact ND1-CZ3 3.29Å; H68-W83 VanDerWaalsContact ND1-CZ3 3.29Å; H68-W83 WeakPolarHBondContact ND1-CZ3 3.34Å; H68-W83 AromaticContact NE2-CH2 3.84Å; H68-W83 AromaticContact NE2-CZ2 3.58Å; H68-C88 HydrophobicContact CB-CB 4.37Å; H68-C88 WeakPolarHBondContact CB-O 3.42Å; H68-C88 PolarHBondContact N-O 2.85Å; H68-C88 PolarHBondContact ND1-O 2.88Å; H68-C88 VanDerWaalsContact O-CB 3.3Å; H68-C88 WeakPolarHBondContact O-CB 3.01Å |
| 69 | G | 90.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 167.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R62 I78 | R62-G69 WeakPolarHBondContact CD-O 2.99Å; R62-G69 PolarHBondContact NH1-O 3.38Å; G69-I78 CarbonylContact C-O 3.55Å; G69-I78 WeakPolarHBondContact CA-O 3.38Å |
| 70 | T | 94.6 | Very high | 93.1 | Very high | 63 Ų | 63 | 63 Ų | 63 | 39% | 0.387 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -180 | 176.9 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | C77 I78 H80 | T70-C77 CarbonylContact O-C 3.56Å; T70-C77 WeakPolarHBondContact O-CA 3.46Å; T70-I78 PolarHBondContact N-O 2.02Å; T70-I78 PolarHBondContact O-N 3.36Å; T70-H80 VanDerWaalsContact CG2-NE2 3.27Å; T70-H80 WeakPolarHBondContact CG2-NE2 3.46Å |
| 71 | C | 95 | Very high | 92.5 | Very high | 19 Ų | 19 | 67.9 Ų | 67.9 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | trans | -137 | 151.6 | 172.6 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | C60 R62 Q73 Q76 | C60-C71 VanDerWaalsContact C-SG 3.51Å; C60-C71 HydrophobicContact CB-CB 4.1Å; C60-C71 WeakPolarHBondContact CB-SG 3.41Å; C60-C71 PolarHBondContact O-SG 3.48Å; C60-C71 WeakPolarHBondContact SG-CB 3.23Å; C60-C71 PolarHBondContact SG-O 3.29Å; C60-C71 CovalentContact SG-SG 2.03Å; C60-C71 PolarHBondContact SG-SG 3.01Å; R62-C71 HydrophobicContact CG-CB 4.07Å; R62-C71 VanDerWaalsContact CG-SG 3.57Å; C71-Q73 WeakPolarHBondContact CB-O 3.43Å; C71-Q76 HydrophobicContact CB-CB 4Å | ||
| 72 | H | 93.6 | Very high | 91.3 | Very high | 138 Ų | 138 | 66.7 Ų | 66.7 | 64% | 0.639 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -110.7 | -27.1 | 165.7 | -67.1 | -46.4 | 0 | 0 | 0 | 111.6 | I78 | H72-I78 HydrophobicContact CB-CD1 4.33Å; H72-I78 WeakPolarHBondContact CD2-CD1 3.02Å |
| 73 | Q | 92.7 | Very high | 90.7 | Very high | 107 Ų | 107 | 64.7 Ų | 64.7 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -124.1 | 155.5 | 171.2 | -63.6 | -65.7 | -47.9 | 0 | 0 | 109.6 | C71 W75 Q76 | C71-Q73 WeakPolarHBondContact CB-O 3.43Å; Q73-W75 PolarHBondContact O-N 3.12Å; Q73-Q76 HydrophobicContact CB-CG 4.23Å; Q73-Q76 WeakPolarHBondContact O-CB 3.35Å; Q73-Q76 WeakPolarHBondContact O-CG 3.19Å; Q73-Q76 PolarHBondContact O-N 3.46Å |
| 74 | P | 94.5 | Very high | 89.8 | Confident | 29 Ų | 29 | 64 Ų | 64 | 19% | 0.188 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | 142 | 175.4 | -29.6 | 36.4 | 0 | 0 | 0 | 113 | G51 W52 Q76 | G51-P74 WeakPolarHBondContact O-CB 3.45Å; G51-P74 WeakPolarHBondContact O-CG 3.31Å; W52-P74 HydrophobicContact CD2-CG 4.28Å; W52-P74 HydrophobicContact CG-CG 4.49Å; W52-P74 HydrophobicContact CZ2-CG 3.97Å; P74-Q76 PolarHBondContact O-N 3.15Å |
| 75 | W | 93.7 | Very high | 89 | Confident | 125 Ų | 125 | 61.2 Ų | 61.2 | 47% | 0.473 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 19 | 175.5 | -41 | 113.8 | 0 | 0 | 0 | 115.3 | G51 V61 M63 P64 Q73 | G51-W75 VanDerWaalsContact CA-CZ2 3.49Å; V61-W75 HydrophobicContact CB-CH2 4.37Å; V61-W75 HydrophobicContact CB-CZ3 4.19Å; V61-W75 HydrophobicContact CG1-CE3 4.2Å; V61-W75 HydrophobicContact CG1-CH2 3.95Å; V61-W75 HydrophobicContact CG1-CZ3 3.53Å; V61-W75 PolarHBondContact O-N 3.37Å; M63-W75 WeakPolarHBondContact CE-O 3.19Å; P64-W75 HydrophobicContact CG-CE3 4.45Å; P64-W75 HydrophobicContact CG-CZ3 4.18Å; Q73-W75 PolarHBondContact O-N 3.12Å |
| 76 | Q | 93.9 | Very high | 88.7 | Confident | 74 Ų | 74 | 65.8 Ų | 65.8 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | trans | -91.1 | 158.9 | 168.7 | -65.8 | -179.1 | -27.4 | 0 | 0 | 111.7 | R62 M63 C71 Q73 P74 | R62-Q76 WeakPolarHBondContact CA-O 3.35Å; M63-Q76 PolarHBondContact N-O 3.09Å; C71-Q76 HydrophobicContact CB-CB 4Å; Q73-Q76 HydrophobicContact CB-CG 4.23Å; Q73-Q76 WeakPolarHBondContact O-CB 3.35Å; Q73-Q76 WeakPolarHBondContact O-CG 3.19Å; Q73-Q76 PolarHBondContact O-N 3.46Å; P74-Q76 PolarHBondContact O-N 3.15Å | ||
| 77 | C | 93.9 | Very high | 88.5 | Confident | 23 Ų | 23 | 68.6 Ų | 68.6 | 16% | 0.155 | 36% | 0.355 | C | S | . | . | trans | -141.5 | 92.9 | 169 | -172.7 | 0 | 0 | 0 | 0 | 107.5 | M63 C66 T70 C88 | M63-C77 HydrophobicContact CB-CB 4.11Å; C66-C77 VanDerWaalsContact CA-SG 3.54Å; C66-C77 HydrophobicContact CB-CB 3.76Å; C66-C77 WeakPolarHBondContact CB-SG 3.48Å; C66-C77 WeakPolarHBondContact SG-CB 3.41Å; C66-C77 CovalentContact SG-SG 2.03Å; C66-C77 PolarHBondContact SG-SG 2.84Å; T70-C77 CarbonylContact O-C 3.56Å; T70-C77 WeakPolarHBondContact O-CA 3.46Å; C77-C88 PolarHBondContact SG-SG 3.23Å | ||
| 78 | I | 90.9 | Very high | 88.3 | Confident | 66 Ų | 66 | 62.9 Ų | 62.9 | 34% | 0.338 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 112.6 | 179 | -56.5 | 171.7 | 0 | 0 | 0 | 106.6 | G69 T70 H72 | G69-I78 CarbonylContact C-O 3.55Å; G69-I78 WeakPolarHBondContact CA-O 3.38Å; T70-I78 PolarHBondContact N-O 2.02Å; T70-I78 PolarHBondContact O-N 3.36Å; H72-I78 HydrophobicContact CB-CD1 4.33Å; H72-I78 WeakPolarHBondContact CD2-CD1 3.02Å |
| 79 | C | 90.4 | Very high | 88.1 | Confident | 44 Ų | 44 | 63.2 Ų | 63.2 | 30% | 0.297 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 142 | -171.5 | -55 | 0 | 0 | 0 | 0 | 113 | W83 G85 C88 | C79-W83 HydrophobicContact CB-CB 4.16Å; C79-W83 WeakPolarHBondContact CB-O 3.33Å; C79-G85 PolarHBondContact SG-O 3.42Å; C79-C88 WeakPolarHBondContact CA-SG 2.99Å; C79-C88 HydrophobicContact CB-CB 3.74Å; C79-C88 WeakPolarHBondContact CB-SG 3.05Å; C79-C88 PolarHBondContact N-SG 3.5Å; C79-C88 VanDerWaalsContact N-SG 3.37Å; C79-C88 VanDerWaalsContact SG-CA 3.51Å; C79-C88 WeakPolarHBondContact SG-CB 3.01Å; C79-C88 CovalentContact SG-SG 2.03Å; C79-C88 PolarHBondContact SG-SG 2.03Å |
| 80 | H | 88.1 | Confident | 87.3 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 40% | 0.403 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 156.1 | 166.2 | -58.8 | 166.5 | 0 | 0 | 0 | 109.4 | H68 T70 G82 W83 | H68-H80 PolarHBondContact O-N 2.81Å; T70-H80 VanDerWaalsContact CG2-NE2 3.27Å; T70-H80 WeakPolarHBondContact CG2-NE2 3.46Å; H80-G82 PolarHBondContact O-N 3.33Å; H80-W83 PolarHBondContact O-N 2.8Å; H80-W83 VanDerWaalsContact O-N 3.1Å |
| 81 | S | 82.3 | Confident | 86.3 | Confident | 117 Ų | 117 | 69.6 Ų | 69.6 | 82% | 0.818 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 129.5 | 174.5 | 56 | 0 | 0 | 0 | 0 | 110.8 | ||
| 82 | G | 71.7 | Confident | 85.1 | Confident | 6 Ų | 6 | 72.5 Ų | 72.5 | 6% | 0.062 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | 4.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H80 E92 | H80-G82 PolarHBondContact O-N 3.33Å; G82-E92 WeakPolarHBondContact CA-OE2 3.01Å; G82-E92 PolarHBondContact N-OE2 3.31Å; G82-E92 WeakPolarHBondContact O-CB 3.45Å; G82-E92 PolarHBondContact O-N 2.85Å |
| 83 | W | 82.1 | Confident | 84 | Confident | 66 Ų | 66 | 70.3 Ų | 70.3 | 25% | 0.25 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.7 | -179.9 | -65.5 | 89 | 0 | 0 | 0 | 111.9 | H68 C79 H80 C88 K90 D91 E92 | H68-W83 HydrophobicContact CB-CB 4.06Å; H68-W83 HydrophobicContact CB-CD2 3.48Å; H68-W83 VanDerWaalsContact CB-CD2 3.48Å; H68-W83 HydrophobicContact CB-CE3 4.12Å; H68-W83 HydrophobicContact CB-CG 3.41Å; H68-W83 VanDerWaalsContact CB-CG 3.41Å; H68-W83 HydrophobicContact CB-CZ2 4.5Å; H68-W83 AromaticContact CD2-CE2 3.7Å; H68-W83 AromaticContact CD2-CZ2 3.71Å; H68-W83 AromaticContact CD2-NE1 3.96Å; H68-W83 AromaticContact CE1-CE2 3.91Å; H68-W83 AromaticContact CE1-CH2 3.22Å; H68-W83 WeakPolarHBondContact CE1-CH2 3.33Å; H68-W83 AromaticContact CE1-CZ2 3.41Å; H68-W83 VanDerWaalsContact CE1-CZ2 3.41Å; H68-W83 WeakPolarHBondContact CE1-CZ2 3.38Å; H68-W83 AromaticContact CE1-CZ3 3.57Å; H68-W83 AromaticContact CG-CD2 3.47Å; H68-W83 VanDerWaalsContact CG-CD2 3.47Å; H68-W83 AromaticContact CG-CE2 3.34Å; H68-W83 AromaticContact CG-CE3 3.87Å; H68-W83 AromaticContact CG-CG 3.97Å; H68-W83 AromaticContact CG-CZ2 3.67Å; H68-W83 AromaticContact CG-NE1 3.74Å; H68-W83 AromaticContact ND1-CD2 3.45Å; H68-W83 AromaticContact ND1-CE2 3.49Å; H68-W83 AromaticContact ND1-CE3 3.32Å; H68-W83 VanDerWaalsContact ND1-CE3 3.32Å; H68-W83 AromaticContact ND1-CH2 3.37Å; H68-W83 WeakPolarHBondContact ND1-CH2 3.17Å; H68-W83 AromaticContact ND1-CZ2 3.47Å; H68-W83 WeakPolarHBondContact ND1-CZ2 3.41Å; H68-W83 AromaticContact ND1-CZ3 3.29Å; H68-W83 VanDerWaalsContact ND1-CZ3 3.29Å; H68-W83 WeakPolarHBondContact ND1-CZ3 3.34Å; H68-W83 AromaticContact NE2-CH2 3.84Å; H68-W83 AromaticContact NE2-CZ2 3.58Å; C79-W83 HydrophobicContact CB-CB 4.16Å; C79-W83 WeakPolarHBondContact CB-O 3.33Å; H80-W83 PolarHBondContact O-N 2.8Å; H80-W83 VanDerWaalsContact O-N 3.1Å; W83-C88 HydrophobicContact CB-CB 4.21Å; W83-K90 CarbonylContact C-O 3.47Å; W83-K90 WeakPolarHBondContact CA-O 3.04Å; W83-D91 HydrophobicContact CZ3-CB 4.46Å; W83-E92 PolarHBondContact N-OE2 2.81Å |
| 84 | A | 76.6 | Confident | 83.2 | Confident | 36 Ų | 36 | 67 Ų | 67 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 168.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C88 D89 K90 | A84-C88 WeakPolarHBondContact O-CA 3.06Å; A84-D89 PolarHBondContact O-N 3.01Å; A84-K90 PolarHBondContact N-O 2.84Å; A84-K90 WeakPolarHBondContact O-CB 3.2Å; A84-K90 PolarHBondContact O-N 2.8Å; A84-K90 VanDerWaalsContact O-N 3.11Å |
| 85 | G | 76.9 | Confident | 82.5 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 35% | 0.351 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 166.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | C79 F87 C88 | C79-G85 PolarHBondContact SG-O 3.42Å; G85-F87 PolarHBondContact O-N 3.07Å; G85-F87 VanDerWaalsContact O-N 3.13Å; G85-C88 PolarHBondContact O-N 2.93Å; G85-C88 VanDerWaalsContact O-N 3.12Å |
| 86 | K | 83.1 | Confident | 81.6 | Confident | 150 Ų | 150 | 65.8 Ų | 65.8 | 65% | 0.652 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25 | -174.8 | -173.7 | 176.3 | 178.1 | -178.7 | 0 | 113.3 | M63 | M63-K86 HydrophobicContact SD-CG 4.16Š|
| 87 | F | 89.3 | Confident | 80.7 | Confident | 74 Ų | 74 | 65.7 Ų | 65.7 | 33% | 0.325 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 8.9 | -179.6 | -58 | -66.8 | 0 | 0 | 0 | 113.2 | M63 P64 C66 Q67 G85 D89 | M63-F87 HydrophobicContact CG-CD1 4.47Å; M63-F87 HydrophobicContact CG-CE1 4.08Å; M63-F87 HydrophobicContact SD-CD1 4.19Å; M63-F87 HydrophobicContact SD-CE1 3.71Å; P64-F87 VanDerWaalsContact O-CE1 3.29Å; P64-F87 WeakPolarHBondContact O-CE1 3.04Å; C66-F87 WeakPolarHBondContact CA-O 3.32Å; Q67-F87 PolarHBondContact N-O 2.03Å; G85-F87 PolarHBondContact O-N 3.07Å; G85-F87 VanDerWaalsContact O-N 3.13Å; F87-D89 HydrophobicContact CB-CB 4.33Å; F87-D89 PolarHBondContact O-N 2.88Å |
| 88 | C | 89.4 | Confident | 80 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 42.5 | -175.7 | -48.6 | 0 | 0 | 0 | 0 | 112.2 | H68 C77 C79 W83 A84 G85 | H68-C88 HydrophobicContact CB-CB 4.37Å; H68-C88 WeakPolarHBondContact CB-O 3.42Å; H68-C88 PolarHBondContact N-O 2.85Å; H68-C88 PolarHBondContact ND1-O 2.88Å; H68-C88 VanDerWaalsContact O-CB 3.3Å; H68-C88 WeakPolarHBondContact O-CB 3.01Å; C77-C88 PolarHBondContact SG-SG 3.23Å; C79-C88 WeakPolarHBondContact CA-SG 2.99Å; C79-C88 HydrophobicContact CB-CB 3.74Å; C79-C88 WeakPolarHBondContact CB-SG 3.05Å; C79-C88 PolarHBondContact N-SG 3.5Å; C79-C88 VanDerWaalsContact N-SG 3.37Å; C79-C88 VanDerWaalsContact SG-CA 3.51Å; C79-C88 WeakPolarHBondContact SG-CB 3.01Å; C79-C88 CovalentContact SG-SG 2.03Å; C79-C88 PolarHBondContact SG-SG 2.03Å; W83-C88 HydrophobicContact CB-CB 4.21Å; A84-C88 WeakPolarHBondContact O-CA 3.06Å; G85-C88 PolarHBondContact O-N 2.93Å; G85-C88 VanDerWaalsContact O-N 3.12Å |
| 89 | D | 86.2 | Confident | 79.6 | Confident | 70 Ų | 70 | 71.5 Ų | 71.5 | 37% | 0.374 | 39% | 0.388 | S | S | . | . | trans | -105.7 | -4.9 | -176.8 | 61.5 | -43.2 | 0 | 0 | 0 | 112.2 | Q67 A84 F87 | Q67-D89 HydrophobicContact CG-CB 4.45Å; A84-D89 PolarHBondContact O-N 3.01Å; F87-D89 HydrophobicContact CB-CB 4.33Å; F87-D89 PolarHBondContact O-N 2.88Å | ||
| 90 | K | 75.6 | Confident | 79.6 | Confident | 136 Ų | 136 | 70.5 Ų | 70.5 | 59% | 0.591 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 130.3 | 176 | -56.1 | -176.4 | 179.2 | -175.9 | 0 | 109.9 | W83 A84 | W83-K90 CarbonylContact C-O 3.47Å; W83-K90 WeakPolarHBondContact CA-O 3.04Å; A84-K90 PolarHBondContact N-O 2.84Å; A84-K90 WeakPolarHBondContact O-CB 3.2Å; A84-K90 PolarHBondContact O-N 2.8Å; A84-K90 VanDerWaalsContact O-N 3.11Å |
| 91 | D | 73 | Confident | 79.8 | Confident | 60 Ų | 60 | 67.2 Ų | 67.2 | 32% | 0.321 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 125.9 | 175.6 | -162.1 | -52.3 | 0 | 0 | 0 | 110.1 | W83 H93 T97 | W83-D91 HydrophobicContact CZ3-CB 4.46Å; D91-H93 VanDerWaalsContact C-N 3.31Å; D91-H93 WeakPolarHBondContact OD1-CA 3.46Å; D91-H93 PolarHBondContact OD1-N 2.77Å; D91-T97 WeakPolarHBondContact OD2-CG2 3.36Å |
| 92 | E | 69.8 | Low | 80.2 | Confident | 81 Ų | 81 | 66.4 Ų | 66.4 | 38% | 0.379 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -80.2 | -13.1 | -178.3 | -162.3 | 174.3 | -172.9 | 0 | 0 | 111.6 | G82 W83 I94 Y109 | G82-E92 WeakPolarHBondContact CA-OE2 3.01Å; G82-E92 PolarHBondContact N-OE2 3.31Å; G82-E92 WeakPolarHBondContact O-CB 3.45Å; G82-E92 PolarHBondContact O-N 2.85Å; W83-E92 PolarHBondContact N-OE2 2.81Å; E92-I94 PolarHBondContact O-N 2.94Å; E92-Y109 PolarHBondContact O-OH 3.25Å; E92-Y109 VanDerWaalsContact O-OH 3.1Å |
| 93 | H | 69.3 | Low | 81.1 | Confident | 92 Ų | 92 | 69.8 Ų | 69.8 | 43% | 0.426 | 37% | 0.368 | S | S | . | . | trans | -102 | 48.6 | -179.5 | -64.5 | -55.2 | 0 | 0 | 0 | 114.2 | D91 C95 T96 T97 Y109 | D91-H93 VanDerWaalsContact C-N 3.31Å; D91-H93 WeakPolarHBondContact OD1-CA 3.46Å; D91-H93 PolarHBondContact OD1-N 2.77Å; H93-C95 PolarHBondContact O-N 2.83Å; H93-T96 WeakPolarHBondContact CB-OG1 3.25Å; H93-T96 PolarHBondContact O-N 2.9Å; H93-T96 PolarHBondContact O-OG1 2.02Å; H93-T97 PolarHBondContact O-N 3.26Å; H93-T97 VanDerWaalsContact O-N 3.15Å; H93-T97 PolarHBondContact O-OG1 2.04Å; H93-Y109 WeakPolarHBondContact CA-OH 3.49Å | ||
| 94 | I | 76.3 | Confident | 81.4 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 19% | 0.19 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -40.7 | -36.2 | 173.5 | -168.4 | 164 | 0 | 0 | 0 | 115.2 | E92 T96 Q98 S99 P100 Y109 Y115 | E92-I94 PolarHBondContact O-N 2.94Å; I94-T96 VanDerWaalsContact C-N 3.3Å; I94-T96 PolarHBondContact O-N 2.77Å; I94-Q98 HydrophobicContact CG1-CB 4.01Å; I94-Q98 HydrophobicContact CG1-CG 4.3Å; I94-Q98 PolarHBondContact O-N 3.45Å; I94-S99 PolarHBondContact O-N 3.04Å; I94-S99 VanDerWaalsContact O-N 3.17Å; I94-P100 HydrophobicContact CG1-CG 4.18Å; I94-P100 WeakPolarHBondContact O-CD 3.46Å; I94-Y109 HydrophobicContact CG2-CE1 4.12Å; I94-Y109 WeakPolarHBondContact CG2-OH 3.26Å; I94-Y109 PolarHBondContact N-OH 3.48Å; I94-Y115 HydrophobicContact CD1-CD1 3.94Å; I94-Y115 HydrophobicContact CD1-CE1 3.69Å; I94-Y115 HydrophobicContact CG1-CD1 4.48Å; I94-Y115 HydrophobicContact CG2-CD1 3.58Å; I94-Y115 HydrophobicContact CG2-CE1 4.42Å; I94-Y115 HydrophobicContact CG2-CG 3.82Å |
| 95 | C | 79.9 | Confident | 82.1 | Confident | 19 Ų | 19 | 68.5 Ų | 68.5 | 13% | 0.128 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.7 | -32.8 | 176.7 | -71.6 | 0 | 0 | 0 | 0 | 113.8 | H93 S99 C107 Y109 | H93-C95 PolarHBondContact O-N 2.83Å; C95-S99 PolarHBondContact O-OG 3.24Å; C95-C107 WeakPolarHBondContact CA-SG 3.31Å; C95-C107 HydrophobicContact CB-CB 3.64Å; C95-C107 WeakPolarHBondContact CB-SG 3.47Å; C95-C107 WeakPolarHBondContact SG-CB 3.46Å; C95-C107 CovalentContact SG-SG 2.04Å; C95-C107 PolarHBondContact SG-SG 3.11Å; C95-Y109 HydrophobicContact CB-CE2 3.72Å; C95-Y109 PolarHBondContact N-OH 3.18Å; C95-Y109 VanDerWaalsContact N-OH 3.11Å; C95-Y109 WeakPolarHBondContact SG-CE2 3.32Å |
| 96 | T | 76 | Confident | 82.9 | Confident | 109 Ų | 109 | 73 Ų | 73 | 67% | 0.669 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -92.9 | -30.1 | -177.8 | 60.6 | 0 | 0 | 0 | 0 | 113 | H93 I94 | H93-T96 WeakPolarHBondContact CB-OG1 3.25Å; H93-T96 PolarHBondContact O-N 2.9Å; H93-T96 PolarHBondContact O-OG1 2.02Å; I94-T96 VanDerWaalsContact C-N 3.3Å; I94-T96 PolarHBondContact O-N 2.77Å |
| 97 | T | 73.4 | Confident | 83.2 | Confident | 73 Ų | 73 | 67.5 Ų | 67.5 | 45% | 0.448 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -95.9 | -34.4 | -174.1 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | D91 H93 | D91-T97 WeakPolarHBondContact OD2-CG2 3.36Å; H93-T97 PolarHBondContact O-N 3.26Å; H93-T97 VanDerWaalsContact O-N 3.15Å; H93-T97 PolarHBondContact O-OG1 2.04Å |
| 98 | Q | 79.3 | Confident | 83.1 | Confident | 130 Ų | 130 | 67.6 Ų | 67.6 | 61% | 0.607 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -20 | -177.8 | -61.1 | 178 | 42 | 0 | 0 | 112.9 | I94 | I94-Q98 HydrophobicContact CG1-CB 4.01Å; I94-Q98 HydrophobicContact CG1-CG 4.3Å; I94-Q98 PolarHBondContact O-N 3.45Å |
| 99 | S | 83.8 | Confident | 82.6 | Confident | 81 Ų | 81 | 71.2 Ų | 71.2 | 57% | 0.566 | 39% | 0.387 | S | S | * | . | trans | 43.3 | 61.6 | -176.7 | -61 | 0 | 0 | 0 | 0 | 112 | I94 C95 C101 | I94-S99 PolarHBondContact O-N 3.04Å; I94-S99 VanDerWaalsContact O-N 3.17Å; C95-S99 PolarHBondContact O-OG 3.24Å; S99-C101 VanDerWaalsContact C-N 3.25Å; S99-C101 PolarHBondContact O-N 3.46Å | ||
| 100 | P | 89 | Confident | 81.9 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 14% | 0.143 | 40% | 0.399 | C | S | . | . | trans | -65 | -27.3 | -167.3 | 26.8 | -36.2 | 0 | 0 | 0 | 113.4 | I94 Q102 Y115 | I94-P100 HydrophobicContact CG1-CG 4.18Å; I94-P100 WeakPolarHBondContact O-CD 3.46Å; P100-Q102 PolarHBondContact O-N 3.07Å; P100-Y115 HydrophobicContact CB-CD2 4.41Å; P100-Y115 HydrophobicContact CB-CE2 3.69Å; P100-Y115 HydrophobicContact CG-CD2 3.56Å; P100-Y115 HydrophobicContact CG-CE1 4.48Å; P100-Y115 HydrophobicContact CG-CE2 3.35Å; P100-Y115 HydrophobicContact CG-CG 4.25Å | ||
| 101 | C | 92.7 | Very high | 81 | Confident | 18 Ų | 18 | 70.8 Ų | 70.8 | 12% | 0.122 | 41% | 0.41 | C | S | . | . | trans | -69 | 115.7 | -178.6 | -50.4 | 0 | 0 | 0 | 0 | 111.6 | S99 G105 C107 C117 | S99-C101 VanDerWaalsContact C-N 3.25Å; S99-C101 PolarHBondContact O-N 3.46Å; C101-G105 WeakPolarHBondContact CB-O 3Å; C101-C107 WeakPolarHBondContact SG-CA 3.38Å; C101-C107 WeakPolarHBondContact SG-CB 3.42Å; C101-C117 WeakPolarHBondContact CA-SG 3.48Å; C101-C117 HydrophobicContact CB-CB 3.75Å; C101-C117 WeakPolarHBondContact CB-SG 3.2Å; C101-C117 VanDerWaalsContact SG-CA 3.51Å; C101-C117 WeakPolarHBondContact SG-CB 3.28Å; C101-C117 CovalentContact SG-SG 2.02Å; C101-C117 PolarHBondContact SG-SG 3.14Å | ||
| 102 | Q | 91.7 | Very high | 80.3 | Confident | 100 Ų | 100 | 71.5 Ų | 71.5 | 47% | 0.467 | 43% | 0.431 | S | S | . | . | trans | -83.3 | 172 | 177.4 | -56.1 | -175.5 | 27.2 | 0 | 0 | 111.4 | P100 G104 G105 D127 C128 | P100-Q102 PolarHBondContact O-N 3.07Å; Q102-G104 PolarHBondContact O-N 3.37Å; Q102-G105 PolarHBondContact O-N 3.46Å; Q102-D127 WeakPolarHBondContact CB-O 3.5Å; Q102-D127 PolarHBondContact N-O 2.8Å; Q102-C128 WeakPolarHBondContact O-CB 3.39Å | ||
| 103 | N | 90 | Very high | 80 | Confident | 77 Ų | 77 | 69.9 Ų | 69.9 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 30.9 | 171.6 | -60.8 | -55.2 | 0 | 0 | 0 | 114.9 | G105 F123 C128 | N103-G105 VanDerWaalsContact C-N 3.32Å; N103-G105 PolarHBondContact O-N 2.78Å; N103-F123 HydrophobicContact CB-CD1 3.52Å; N103-F123 HydrophobicContact CB-CD2 4.2Å; N103-F123 HydrophobicContact CB-CE1 3.47Å; N103-F123 VanDerWaalsContact CB-CE1 3.47Å; N103-F123 HydrophobicContact CB-CE2 4.15Å; N103-F123 HydrophobicContact CB-CG 3.9Å; N103-F123 HydrophobicContact CB-CZ 3.79Å; N103-F123 WeakPolarHBondContact ND2-CD1 3.39Å; N103-F123 WeakPolarHBondContact ND2-CE1 3.4Å; N103-C128 PolarHBondContact ND2-O 2.85Å |
| 104 | G | 87.8 | Confident | 80.1 | Confident | 61 Ų | 61 | 71.1 Ų | 71.1 | 63% | 0.629 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 16.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q102 | Q102-G104 PolarHBondContact O-N 3.37Š|
| 105 | G | 92.4 | Very high | 80.4 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 14% | 0.144 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 147.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C101 Q102 N103 V118 | C101-G105 WeakPolarHBondContact CB-O 3Å; Q102-G105 PolarHBondContact O-N 3.46Å; N103-G105 VanDerWaalsContact C-N 3.32Å; N103-G105 PolarHBondContact O-N 2.78Å; G105-V118 CarbonylContact C-O 3.49Å; G105-V118 VanDerWaalsContact CA-O 3.27Å; G105-V118 WeakPolarHBondContact CA-O 2.99Å |
| 106 | Q | 92.2 | Very high | 80.8 | Confident | 130 Ų | 130 | 72.1 Ų | 72.1 | 61% | 0.607 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 122.4 | 180 | -169.5 | 170.4 | 8.9 | 0 | 0 | 110.5 | M108 V118 | Q106-M108 HydrophobicContact CG-CG 4.41Å; Q106-V118 HydrophobicContact CB-CB 4.35Å; Q106-V118 PolarHBondContact N-O 2.84Å; Q106-V118 PolarHBondContact O-N 2.94Å |
| 107 | C | 89.8 | Confident | 81.6 | Confident | 34 Ų | 34 | 67.7 Ų | 67.7 | 23% | 0.23 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 127.5 | 179.1 | -161.6 | 0 | 0 | 0 | 0 | 110.9 | C95 C101 | C95-C107 WeakPolarHBondContact CA-SG 3.31Å; C95-C107 HydrophobicContact CB-CB 3.64Å; C95-C107 WeakPolarHBondContact CB-SG 3.47Å; C95-C107 WeakPolarHBondContact SG-CB 3.46Å; C95-C107 CovalentContact SG-SG 2.04Å; C95-C107 PolarHBondContact SG-SG 3.11Å; C101-C107 WeakPolarHBondContact SG-CA 3.38Å; C101-C107 WeakPolarHBondContact SG-CB 3.42Å |
| 108 | M | 86.8 | Confident | 82.5 | Confident | 76 Ų | 76 | 67.4 Ų | 67.4 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 158.9 | 179.3 | -54.6 | -164.8 | -47.7 | 0 | 0 | 111.1 | Q106 Y115 H116 V118 | Q106-M108 HydrophobicContact CG-CG 4.41Å; M108-Y115 WeakPolarHBondContact O-CA 3.46Å; M108-H116 WeakPolarHBondContact CE-NE2 3.35Å; M108-H116 PolarHBondContact N-O 3.27Å; M108-H116 PolarHBondContact O-N 3.21Å; M108-V118 HydrophobicContact CE-CG2 3.33Å; M108-V118 HydrophobicContact CG-CG2 4.45Å; M108-V118 HydrophobicContact SD-CG2 4.12Å |
| 109 | Y | 78.9 | Confident | 83.1 | Confident | 76 Ų | 76 | 63 Ų | 63 | 30% | 0.298 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 135.8 | 174.9 | -72.6 | -83 | 0 | 0 | 0 | 110.3 | E92 H93 I94 C95 G111 E114 | E92-Y109 PolarHBondContact O-OH 3.25Å; E92-Y109 VanDerWaalsContact O-OH 3.1Å; H93-Y109 WeakPolarHBondContact CA-OH 3.49Å; I94-Y109 HydrophobicContact CG2-CE1 4.12Å; I94-Y109 WeakPolarHBondContact CG2-OH 3.26Å; I94-Y109 PolarHBondContact N-OH 3.48Å; C95-Y109 HydrophobicContact CB-CE2 3.72Å; C95-Y109 PolarHBondContact N-OH 3.18Å; C95-Y109 VanDerWaalsContact N-OH 3.11Å; C95-Y109 WeakPolarHBondContact SG-CE2 3.32Å; Y109-G111 PolarHBondContact O-N 2.91Å; Y109-E114 WeakPolarHBondContact CD1-O 3.34Å |
| 110 | D | 72.4 | Confident | 83.3 | Confident | 119 Ų | 119 | 63.5 Ų | 63.5 | 64% | 0.636 | 39% | 0.393 | S | S | * | . | trans | -84.2 | 11.7 | 176.9 | -64.6 | -51 | 0 | 0 | 0 | 113.6 | G112 H116 | D110-G112 PolarHBondContact O-N 3.4Å; D110-H116 VanDerWaalsContact CG-CE1 3.44Å; D110-H116 IonicContact OD1-CE1 3.38Å; D110-H116 PolarHBondContact OD1-CE1 3.32Å; D110-H116 IonicContact OD1-ND1 2.7Å; D110-H116 PolarHBondContact OD1-ND1 3.23Å; D110-H116 VanDerWaalsContact OD1-ND1 3.09Å; D110-H116 IonicContact OD1-NE2 2.69Å; D110-H116 IonicContact OD2-CE1 3.33Å; D110-H116 PolarHBondContact OD2-CE1 3.33Å; D110-H116 IonicContact OD2-CG 3.32Å; D110-H116 IonicContact OD2-ND1 2.86Å; D110-H116 PolarHBondContact OD2-ND1 2.76Å | ||
| 111 | G | 55.9 | Low | 83.1 | Confident | 78 Ų | 78 | 68.4 Ų | 68.4 | 80% | 0.804 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 79.4 | -3.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y109 | Y109-G111 PolarHBondContact O-N 2.91Š|
| 112 | G | 59.1 | Low | 82.4 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 76% | 0.763 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -99 | 6.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | D110 E114 | D110-G112 PolarHBondContact O-N 3.4Å; G112-E114 VanDerWaalsContact C-N 3.31Å; G112-E114 PolarHBondContact O-N 2.93Å |
| 113 | G | 62.5 | Low | 81.9 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 49% | 0.485 | 42% | 0.421 | S | S | . | . | S | Bend | trans | 83.4 | -4.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 114 | E | 72.7 | Confident | 81.5 | Confident | 118 Ų | 118 | 64.6 Ų | 64.6 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | trans | -92.9 | 141.6 | 169.3 | -172.4 | 161.6 | -157.7 | 0 | 0 | 110.9 | Y109 G112 R126 | Y109-E114 WeakPolarHBondContact CD1-O 3.34Å; G112-E114 VanDerWaalsContact C-N 3.31Å; G112-E114 PolarHBondContact O-N 2.93Å; E114-R126 IonicContact OE1-NH2 3.25Å; E114-R126 PolarHBondContact OE1-NH2 3.07Å; E114-R126 VanDerWaalsContact OE1-NH2 3.11Å | ||
| 115 | Y | 82.8 | Confident | 81.3 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 9% | 0.094 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 149.1 | 174.9 | 80.1 | -81.6 | 0 | 0 | 0 | 110.3 | I94 P100 M108 D127 | I94-Y115 HydrophobicContact CD1-CD1 3.94Å; I94-Y115 HydrophobicContact CD1-CE1 3.69Å; I94-Y115 HydrophobicContact CG1-CD1 4.48Å; I94-Y115 HydrophobicContact CG2-CD1 3.58Å; I94-Y115 HydrophobicContact CG2-CE1 4.42Å; I94-Y115 HydrophobicContact CG2-CG 3.82Å; P100-Y115 HydrophobicContact CB-CD2 4.41Å; P100-Y115 HydrophobicContact CB-CE2 3.69Å; P100-Y115 HydrophobicContact CG-CD2 3.56Å; P100-Y115 HydrophobicContact CG-CE1 4.48Å; P100-Y115 HydrophobicContact CG-CE2 3.35Å; P100-Y115 HydrophobicContact CG-CG 4.25Å; M108-Y115 WeakPolarHBondContact O-CA 3.46Å; Y115-D127 WeakPolarHBondContact CE2-OD1 3.48Å; Y115-D127 VanDerWaalsContact CZ-OD1 3.31Å; Y115-D127 PolarHBondContact OH-OD1 3.39Å |
| 116 | H | 88.3 | Confident | 81 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 25% | 0.245 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 154.5 | 165.5 | 70.2 | -90.8 | 0 | 0 | 0 | 110.2 | M108 D110 | M108-H116 WeakPolarHBondContact CE-NE2 3.35Å; M108-H116 PolarHBondContact N-O 3.27Å; M108-H116 PolarHBondContact O-N 3.21Å; D110-H116 VanDerWaalsContact CG-CE1 3.44Å; D110-H116 IonicContact OD1-CE1 3.38Å; D110-H116 PolarHBondContact OD1-CE1 3.32Å; D110-H116 IonicContact OD1-ND1 2.7Å; D110-H116 PolarHBondContact OD1-ND1 3.23Å; D110-H116 VanDerWaalsContact OD1-ND1 3.09Å; D110-H116 IonicContact OD1-NE2 2.69Å; D110-H116 IonicContact OD2-CE1 3.33Å; D110-H116 PolarHBondContact OD2-CE1 3.33Å; D110-H116 IonicContact OD2-CG 3.32Å; D110-H116 IonicContact OD2-ND1 2.86Å; D110-H116 PolarHBondContact OD2-ND1 2.76Å |
| 117 | C | 92.4 | Very high | 81 | Confident | 17 Ų | 17 | 64.4 Ų | 64.4 | 12% | 0.115 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126.2 | 178 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | C101 C119 R126 C128 | C101-C117 WeakPolarHBondContact CA-SG 3.48Å; C101-C117 HydrophobicContact CB-CB 3.75Å; C101-C117 WeakPolarHBondContact CB-SG 3.2Å; C101-C117 VanDerWaalsContact SG-CA 3.51Å; C101-C117 WeakPolarHBondContact SG-CB 3.28Å; C101-C117 CovalentContact SG-SG 2.02Å; C101-C117 PolarHBondContact SG-SG 3.14Å; C117-C119 PolarHBondContact O-N 2.79Å; C117-R126 WeakPolarHBondContact CB-O 3.26Å; C117-R126 PolarHBondContact SG-O 2.92Å; C117-C128 WeakPolarHBondContact CB-SG 3.39Å |
| 118 | V | 91.9 | Very high | 81 | Confident | 67 Ų | 67 | 62.8 Ų | 62.8 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 107.3 | 166.9 | -177 | 0 | 0 | 0 | 0 | 108 | G105 Q106 M108 | G105-V118 CarbonylContact C-O 3.49Å; G105-V118 VanDerWaalsContact CA-O 3.27Å; G105-V118 WeakPolarHBondContact CA-O 2.99Å; Q106-V118 HydrophobicContact CB-CB 4.35Å; Q106-V118 PolarHBondContact N-O 2.84Å; Q106-V118 PolarHBondContact O-N 2.94Å; M108-V118 HydrophobicContact CE-CG2 3.33Å; M108-V118 HydrophobicContact CG-CG2 4.45Å; M108-V118 HydrophobicContact SD-CG2 4.12Å |
| 119 | C | 91.1 | Very high | 81.1 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 25% | 0.25 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 142.1 | -176.6 | -54.5 | 0 | 0 | 0 | 0 | 112.3 | C117 F123 C128 | C117-C119 PolarHBondContact O-N 2.79Å; C119-F123 HydrophobicContact CB-CB 4.19Å; C119-F123 VanDerWaalsContact CB-O 3.26Å; C119-F123 WeakPolarHBondContact CB-O 3.36Å; C119-C128 WeakPolarHBondContact CA-SG 3.43Å; C119-C128 HydrophobicContact CB-CB 3.83Å; C119-C128 WeakPolarHBondContact CB-SG 3.04Å; C119-C128 WeakPolarHBondContact SG-CA 3.47Å; C119-C128 WeakPolarHBondContact SG-CB 3.44Å; C119-C128 CovalentContact SG-SG 2.04Å; C119-C128 PolarHBondContact SG-SG 3.47Å |
| 120 | L | 89.4 | Confident | 81.2 | Confident | 91 Ų | 91 | 64.5 Ų | 64.5 | 48% | 0.476 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 155.5 | 169.6 | -74.6 | 172.8 | 0 | 0 | 0 | 110.8 | G122 F123 | L120-G122 PolarHBondContact O-N 3.08Å; L120-F123 HydrophobicContact CB-CD2 4.44Å; L120-F123 PolarHBondContact O-N 3.25Å |
| 121 | P | 84.6 | Confident | 81.4 | Confident | 125 Ų | 125 | 64.1 Ų | 64.1 | 81% | 0.812 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 129.2 | 176.2 | -26.2 | 34.6 | 0 | 0 | 0 | 111.7 | ||
| 122 | G | 77.1 | Confident | 82.3 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 25% | 0.247 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 9.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L120 K131 A132 | L120-G122 PolarHBondContact O-N 3.08Å; G122-K131 CarbonylContact O-C 3.59Å; G122-K131 WeakPolarHBondContact O-CA 3.47Å; G122-K131 WeakPolarHBondContact O-CG 3.34Å; G122-A132 WeakPolarHBondContact O-CB 3.47Å; G122-A132 PolarHBondContact O-N 3.04Å |
| 123 | F | 82.7 | Confident | 82.9 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 25% | 0.254 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149.3 | 170.3 | -65.4 | -88.3 | 0 | 0 | 0 | 111.2 | N103 C119 L120 C128 R130 K131 | N103-F123 HydrophobicContact CB-CD1 3.52Å; N103-F123 HydrophobicContact CB-CD2 4.2Å; N103-F123 HydrophobicContact CB-CE1 3.47Å; N103-F123 VanDerWaalsContact CB-CE1 3.47Å; N103-F123 HydrophobicContact CB-CE2 4.15Å; N103-F123 HydrophobicContact CB-CG 3.9Å; N103-F123 HydrophobicContact CB-CZ 3.79Å; N103-F123 WeakPolarHBondContact ND2-CD1 3.39Å; N103-F123 WeakPolarHBondContact ND2-CE1 3.4Å; C119-F123 HydrophobicContact CB-CB 4.19Å; C119-F123 VanDerWaalsContact CB-O 3.26Å; C119-F123 WeakPolarHBondContact CB-O 3.36Å; L120-F123 HydrophobicContact CB-CD2 4.44Å; L120-F123 PolarHBondContact O-N 3.25Å; F123-C128 HydrophobicContact CB-CB 4.47Å; F123-R130 CarbonylContact C-O 3.52Å; F123-R130 WeakPolarHBondContact CA-O 3Å; F123-K131 HydrophobicContact CD1-CB 4.15Å; F123-K131 HydrophobicContact CD1-CG 4.42Å; F123-K131 HydrophobicContact CE1-CB 3.97Å; F123-K131 HydrophobicContact CE1-CD 4.49Å; F123-K131 HydrophobicContact CE1-CG 4.04Å; F123-K131 HydrophobicContact CZ-CG 4.39Å |
| 124 | H | 81.3 | Confident | 83.5 | Confident | 34 Ų | 34 | 56.8 Ų | 56.8 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 179.1 | 178 | 68.6 | -109.1 | 0 | 0 | 0 | 110 | C128 R130 E136 | H124-C128 CarbonylContact O-C 3.53Å; H124-C128 WeakPolarHBondContact O-CA 3.31Å; H124-R130 PolarHBondContact CD2-NH1 3.43Å; H124-R130 VanDerWaalsContact CD2-NH1 3.33Å; H124-R130 PolarHBondContact N-O 3.11Å; H124-R130 WeakPolarHBondContact NE2-CB 3.35Å; H124-R130 PolarHBondContact NE2-NH1 3.21Å; H124-R130 WeakPolarHBondContact O-CB 3.15Å; H124-R130 PolarHBondContact O-N 3.29Å; H124-R130 VanDerWaalsContact O-O 3.13Å; H124-E136 IonicContact CE1-OE2 3.85Å; H124-E136 PolarHBondContact CE1-OE2 3.23Å; H124-E136 VanDerWaalsContact CE1-OE2 3.25Å; H124-E136 IonicContact CG-OE2 3.27Å; H124-E136 IonicContact ND1-OE2 3.5Å; H124-E136 PolarHBondContact ND1-OE2 3.18Å |
| 125 | G | 82.6 | Confident | 83.8 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 25% | 0.247 | 27% | 0.274 | C | S | . | . | S | Bend | trans | 109.4 | 176.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D127 E129 | G125-D127 VanDerWaalsContact C-N 3.32Å; G125-E129 WeakPolarHBondContact CA-OE1 3.4Å |
| 126 | R | 87.6 | Confident | 83.4 | Confident | 139 Ų | 139 | 56.7 Ų | 56.7 | 53% | 0.525 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -69.7 | -38.9 | -179.5 | -174.6 | -174.1 | -172.2 | -154.1 | 7 | 110.6 | E114 C117 E129 | E114-R126 IonicContact OE1-NH2 3.25Å; E114-R126 PolarHBondContact OE1-NH2 3.07Å; E114-R126 VanDerWaalsContact OE1-NH2 3.11Å; C117-R126 WeakPolarHBondContact CB-O 3.26Å; C117-R126 PolarHBondContact SG-O 2.92Å; R126-E129 PolarHBondContact N-OE2 2.78Å |
| 127 | D | 90.8 | Very high | 82.5 | Confident | 38 Ų | 38 | 59.1 Ų | 59.1 | 20% | 0.203 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -113.3 | 18.4 | -174.4 | -59.7 | -39 | 0 | 0 | 0 | 110.9 | Q102 Y115 G125 E129 | Q102-D127 WeakPolarHBondContact CB-O 3.5Å; Q102-D127 PolarHBondContact N-O 2.8Å; Y115-D127 WeakPolarHBondContact CE2-OD1 3.48Å; Y115-D127 VanDerWaalsContact CZ-OD1 3.31Å; Y115-D127 PolarHBondContact OH-OD1 3.39Å; G125-D127 VanDerWaalsContact C-N 3.32Å; D127-E129 WeakPolarHBondContact CA-OE2 3Å; D127-E129 PolarHBondContact N-OE2 3.33Å; D127-E129 PolarHBondContact O-N 3.19Å; D127-E129 VanDerWaalsContact O-N 3.15Å |
| 128 | C | 91.1 | Very high | 81 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 55.2 | 27.5 | -173.9 | -51.1 | 0 | 0 | 0 | 0 | 113.9 | Q102 N103 C117 C119 F123 H124 R130 | Q102-C128 WeakPolarHBondContact O-CB 3.39Å; N103-C128 PolarHBondContact ND2-O 2.85Å; C117-C128 WeakPolarHBondContact CB-SG 3.39Å; C119-C128 WeakPolarHBondContact CA-SG 3.43Å; C119-C128 HydrophobicContact CB-CB 3.83Å; C119-C128 WeakPolarHBondContact CB-SG 3.04Å; C119-C128 WeakPolarHBondContact SG-CA 3.47Å; C119-C128 WeakPolarHBondContact SG-CB 3.44Å; C119-C128 CovalentContact SG-SG 2.04Å; C119-C128 PolarHBondContact SG-SG 3.47Å; F123-C128 HydrophobicContact CB-CB 4.47Å; H124-C128 CarbonylContact O-C 3.53Å; H124-C128 WeakPolarHBondContact O-CA 3.31Å; C128-R130 VanDerWaalsContact C-N 3.31Å; C128-R130 PolarHBondContact O-N 3.13Å |
| 129 | E | 87.3 | Confident | 80 | Confident | 72 Ų | 72 | 63.3 Ų | 63.3 | 34% | 0.336 | 36% | 0.355 | S | S | . | . | trans | -75.5 | -21.2 | -175.1 | 73.9 | -67.7 | 165.6 | 0 | 0 | 112.9 | G125 R126 D127 | G125-E129 WeakPolarHBondContact CA-OE1 3.4Å; R126-E129 PolarHBondContact N-OE2 2.78Å; D127-E129 WeakPolarHBondContact CA-OE2 3Å; D127-E129 PolarHBondContact N-OE2 3.33Å; D127-E129 PolarHBondContact O-N 3.19Å; D127-E129 VanDerWaalsContact O-N 3.15Å | ||
| 130 | R | 81.7 | Confident | 79.6 | Confident | 116 Ų | 116 | 64.4 Ų | 64.4 | 44% | 0.438 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 132 | -177.3 | -62.9 | -177.3 | -84 | 153 | -9.8 | 110.6 | F123 H124 C128 | F123-R130 CarbonylContact C-O 3.52Å; F123-R130 WeakPolarHBondContact CA-O 3Å; H124-R130 PolarHBondContact CD2-NH1 3.43Å; H124-R130 VanDerWaalsContact CD2-NH1 3.33Å; H124-R130 PolarHBondContact N-O 3.11Å; H124-R130 WeakPolarHBondContact NE2-CB 3.35Å; H124-R130 PolarHBondContact NE2-NH1 3.21Å; H124-R130 WeakPolarHBondContact O-CB 3.15Å; H124-R130 PolarHBondContact O-N 3.29Å; H124-R130 VanDerWaalsContact O-O 3.13Å; C128-R130 VanDerWaalsContact C-N 3.31Å; C128-R130 PolarHBondContact O-N 3.13Å |
| 131 | K | 76.4 | Confident | 79.6 | Confident | 111 Ų | 111 | 60.9 Ų | 60.9 | 48% | 0.483 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.6 | 170.6 | -170.2 | 173.9 | 177.5 | -177.5 | 0 | 108.3 | G122 F123 G133 A155 | G122-K131 CarbonylContact O-C 3.59Å; G122-K131 WeakPolarHBondContact O-CA 3.47Å; G122-K131 WeakPolarHBondContact O-CG 3.34Å; F123-K131 HydrophobicContact CD1-CB 4.15Å; F123-K131 HydrophobicContact CD1-CG 4.42Å; F123-K131 HydrophobicContact CE1-CB 3.97Å; F123-K131 HydrophobicContact CE1-CD 4.49Å; F123-K131 HydrophobicContact CE1-CG 4.04Å; F123-K131 HydrophobicContact CZ-CG 4.39Å; K131-G133 PolarHBondContact O-N 2.75Å; K131-A155 HydrophobicContact CB-CB 3.79Å; K131-A155 HydrophobicContact CD-CB 3.8Å; K131-A155 HydrophobicContact CG-CB 3.6Å |
| 132 | A | 74.2 | Confident | 80 | Confident | 10 Ų | 10 | 55.5 Ų | 55.5 | 8% | 0.083 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 121.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | G122 E136 Q137 A155 | G122-A132 WeakPolarHBondContact O-CB 3.47Å; G122-A132 PolarHBondContact O-N 3.04Å; A132-E136 HydrophobicContact CB-CB 4.44Å; A132-Q137 PolarHBondContact O-NE2 2.9Å; A132-Q137 VanDerWaalsContact O-NE2 3.13Å; A132-A155 WeakPolarHBondContact O-CB 3.22Å |
| 133 | G | 73 | Confident | 80.7 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | trans | -82.7 | -178.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K131 C135 E136 Q137 D150 | K131-G133 PolarHBondContact O-N 2.75Å; G133-C135 PolarHBondContact O-N 2.82Å; G133-C135 VanDerWaalsContact O-N 3.14Å; G133-E136 PolarHBondContact O-N 3.07Å; G133-Q137 PolarHBondContact O-N 2.02Å; G133-D150 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 134 | P | 75.2 | Confident | 81.3 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 21% | 0.214 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.6 | -179.9 | -24.1 | 35.4 | 0 | 0 | 0 | 113.3 | P141 D150 F158 | P134-P141 HydrophobicContact CB-CG 4.24Å; P134-P141 WeakPolarHBondContact O-CD 3.46Å; P134-D150 VanDerWaalsContact CD-OD1 3.31Å; P134-D150 WeakPolarHBondContact CD-OD1 3.05Å; P134-F158 HydrophobicContact CB-CB 4.45Å; P134-F158 HydrophobicContact CB-CD1 3.91Å; P134-F158 HydrophobicContact CB-CG 4.37Å; P134-F158 HydrophobicContact CG-CB 4.48Å; P134-F158 HydrophobicContact CG-CD1 3.99Å |
| 135 | C | 79.3 | Confident | 81.7 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 16% | 0.162 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -30.1 | -179.8 | -61.1 | 0 | 0 | 0 | 0 | 113.9 | G133 C148 Q149 D150 | G133-C135 PolarHBondContact O-N 2.82Å; G133-C135 VanDerWaalsContact O-N 3.14Å; C135-C148 WeakPolarHBondContact CA-SG 3.07Å; C135-C148 HydrophobicContact CB-CB 3.64Å; C135-C148 WeakPolarHBondContact CB-SG 3.45Å; C135-C148 WeakPolarHBondContact SG-CB 3.47Å; C135-C148 CovalentContact SG-SG 2.02Å; C135-C148 PolarHBondContact SG-SG 2.84Å; C135-Q149 PolarHBondContact SG-N 3.38Å; C135-Q149 VanDerWaalsContact SG-N 3.38Å; C135-D150 WeakPolarHBondContact CB-OD1 3.46Å; C135-D150 PolarHBondContact N-OD1 3.14Å; C135-D150 PolarHBondContact SG-N 3.19Å; C135-D150 PolarHBondContact SG-OD1 2.02Å |
| 136 | E | 73.6 | Confident | 82.2 | Confident | 116 Ų | 116 | 62.8 Ų | 62.8 | 54% | 0.542 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -13.1 | -175.1 | -63.5 | -167.5 | 161.6 | 0 | 0 | 113.3 | H124 A132 G133 A138 | H124-E136 IonicContact CE1-OE2 3.85Å; H124-E136 PolarHBondContact CE1-OE2 3.23Å; H124-E136 VanDerWaalsContact CE1-OE2 3.25Å; H124-E136 IonicContact CG-OE2 3.27Å; H124-E136 IonicContact ND1-OE2 3.5Å; H124-E136 PolarHBondContact ND1-OE2 3.18Å; A132-E136 HydrophobicContact CB-CB 4.44Å; G133-E136 PolarHBondContact O-N 3.07Å; E136-A138 PolarHBondContact O-N 2.82Å |
| 137 | Q | 69.9 | Low | 82.4 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 49% | 0.486 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -85.6 | 107 | 178.1 | -79.5 | 174.5 | 11 | 0 | 0 | 112 | A132 G133 G139 | A132-Q137 PolarHBondContact O-NE2 2.9Å; A132-Q137 VanDerWaalsContact O-NE2 3.13Å; G133-Q137 PolarHBondContact O-N 2.02Å; Q137-G139 PolarHBondContact O-N 2.04Å |
| 138 | A | 59.8 | Low | 82.3 | Confident | 122 Ų | 122 | 61.9 Ų | 61.9 | 100% | 1.008 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 52.9 | 4.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | E136 | E136-A138 PolarHBondContact O-N 2.82Š|
| 139 | G | 70.9 | Confident | 82 | Confident | 51 Ų | 51 | 66.4 Ų | 66.4 | 53% | 0.526 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 152.2 | 129.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q137 | Q137-G139 PolarHBondContact O-N 2.04Š|
| 140 | S | 84.1 | Confident | 81.6 | Confident | 60 Ų | 60 | 64.4 Ų | 64.4 | 42% | 0.42 | 36% | 0.363 | S | S | . | . | trans | -51.8 | 130.4 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | C142 C148 | S140-C142 PolarHBondContact O-N 3.45Å; S140-C142 PolarHBondContact OG-N 2.88Å; S140-C148 WeakPolarHBondContact OG-CB 3.42Å | ||
| 141 | P | 88.3 | Confident | 81 | Confident | 16 Ų | 16 | 61.8 Ų | 61.8 | 10% | 0.104 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -67.7 | -15.3 | 174.9 | 28.4 | -36.3 | 0 | 0 | 0 | 112.4 | P134 C148 F158 R170 | P134-P141 HydrophobicContact CB-CG 4.24Å; P134-P141 WeakPolarHBondContact O-CD 3.46Å; P141-C148 WeakPolarHBondContact CD-SG 3.28Å; P141-C148 WeakPolarHBondContact CG-SG 3.4Å; P141-F158 HydrophobicContact CB-CD2 4.23Å; P141-F158 HydrophobicContact CB-CE1 4.16Å; P141-F158 HydrophobicContact CB-CE2 3.73Å; P141-F158 HydrophobicContact CB-CZ 3.69Å; P141-F158 HydrophobicContact CG-CD1 4.15Å; P141-F158 HydrophobicContact CG-CD2 3.54Å; P141-F158 HydrophobicContact CG-CE1 4.17Å; P141-F158 HydrophobicContact CG-CE2 3.58Å; P141-F158 HydrophobicContact CG-CG 3.85Å; P141-F158 HydrophobicContact CG-CZ 3.9Å; P141-R170 VanDerWaalsContact O-CZ 3.24Å; P141-R170 PolarHBondContact O-NE 3.07Å; P141-R170 PolarHBondContact O-NH2 3.45Å |
| 142 | C | 92.3 | Very high | 80.4 | Confident | 12 Ų | 12 | 65.8 Ų | 65.8 | 8% | 0.081 | 38% | 0.379 | C | S | . | . | trans | -77.3 | 130.8 | 178.2 | -50.1 | 0 | 0 | 0 | 0 | 111.3 | S140 G146 C148 C160 | S140-C142 PolarHBondContact O-N 3.45Å; S140-C142 PolarHBondContact OG-N 2.88Å; C142-G146 VanDerWaalsContact CB-O 3.28Å; C142-G146 WeakPolarHBondContact CB-O 3.34Å; C142-C148 WeakPolarHBondContact SG-CA 3.44Å; C142-C148 WeakPolarHBondContact SG-CB 3.41Å; C142-C160 WeakPolarHBondContact CA-SG 3.34Å; C142-C160 HydrophobicContact CB-CB 3.84Å; C142-C160 WeakPolarHBondContact CB-SG 3.32Å; C142-C160 WeakPolarHBondContact SG-CA 3.21Å; C142-C160 WeakPolarHBondContact SG-CB 3.38Å; C142-C160 CovalentContact SG-SG 2.02Å; C142-C160 PolarHBondContact SG-SG 2.78Å | ||
| 143 | R | 93.6 | Very high | 79.4 | Confident | 148 Ų | 148 | 66.7 Ų | 66.7 | 56% | 0.558 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -85.8 | 170.1 | 176.2 | -61 | -65.9 | -171.6 | 173.6 | 0.2 | 110.8 | G145 G146 R170 E172 | R143-G145 PolarHBondContact O-N 2.83Å; R143-G146 PolarHBondContact O-N 3.42Å; R143-R170 WeakPolarHBondContact CB-O 3.44Å; R143-R170 PolarHBondContact N-O 3.25Å; R143-E172 HydrophobicContact CG-CB 4.33Å |
| 144 | N | 93.8 | Very high | 78.6 | Confident | 78 Ų | 78 | 75 Ų | 75 | 42% | 0.417 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 35.1 | 171.4 | -59.5 | -46.3 | 0 | 0 | 0 | 114.7 | G146 F166 C171 | N144-G146 VanDerWaalsContact C-N 3.27Å; N144-G146 PolarHBondContact O-N 3.13Å; N144-F166 HydrophobicContact CB-CD1 3.8Å; N144-F166 HydrophobicContact CB-CD2 3.88Å; N144-F166 HydrophobicContact CB-CE1 3.68Å; N144-F166 HydrophobicContact CB-CE2 3.74Å; N144-F166 HydrophobicContact CB-CG 3.9Å; N144-F166 HydrophobicContact CB-CZ 3.64Å; N144-F166 WeakPolarHBondContact ND2-CD1 3.29Å; N144-F166 VanDerWaalsContact ND2-CE1 3.34Å; N144-F166 WeakPolarHBondContact ND2-CE1 3.37Å; N144-C171 PolarHBondContact ND2-O 2.74Å |
| 145 | G | 90.1 | Very high | 77.8 | Confident | 60 Ų | 60 | 74 Ų | 74 | 62% | 0.619 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 15.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R143 | R143-G145 PolarHBondContact O-N 2.83Š|
| 146 | G | 93 | Very high | 77.1 | Confident | 8 Ų | 8 | 79.9 Ų | 79.9 | 8% | 0.082 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 141.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C142 R143 N144 R161 | C142-G146 VanDerWaalsContact CB-O 3.28Å; C142-G146 WeakPolarHBondContact CB-O 3.34Å; R143-G146 PolarHBondContact O-N 3.42Å; N144-G146 VanDerWaalsContact C-N 3.27Å; N144-G146 PolarHBondContact O-N 3.13Å; G146-R161 CarbonylContact C-O 3.56Å; G146-R161 WeakPolarHBondContact CA-O 3.41Å |
| 147 | Q | 91.5 | Very high | 77.2 | Confident | 131 Ų | 131 | 79.4 Ų | 79.4 | 61% | 0.612 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 120.8 | 178.4 | -174.5 | 176.9 | 36.6 | 0 | 0 | 109.6 | R161 | Q147-R161 HydrophobicContact CB-CB 4.31Å; Q147-R161 PolarHBondContact N-O 3.46Å; Q147-R161 PolarHBondContact O-N 3.22Å |
| 148 | C | 88.8 | Confident | 77.8 | Confident | 27 Ų | 27 | 77.6 Ų | 77.6 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 136 | 177.4 | -163 | 0 | 0 | 0 | 0 | 110.9 | C135 S140 P141 C142 | C135-C148 WeakPolarHBondContact CA-SG 3.07Å; C135-C148 HydrophobicContact CB-CB 3.64Å; C135-C148 WeakPolarHBondContact CB-SG 3.45Å; C135-C148 WeakPolarHBondContact SG-CB 3.47Å; C135-C148 CovalentContact SG-SG 2.02Å; C135-C148 PolarHBondContact SG-SG 2.84Å; S140-C148 WeakPolarHBondContact OG-CB 3.42Å; P141-C148 WeakPolarHBondContact CD-SG 3.28Å; P141-C148 WeakPolarHBondContact CG-SG 3.4Å; C142-C148 WeakPolarHBondContact SG-CA 3.44Å; C142-C148 WeakPolarHBondContact SG-CB 3.41Å |
| 149 | Q | 86 | Confident | 79.2 | Confident | 94 Ų | 94 | 74.8 Ų | 74.8 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 120.9 | 173.4 | -177.7 | 160.6 | 47.3 | 0 | 0 | 109 | C135 F158 T159 | C135-Q149 PolarHBondContact SG-N 3.38Å; C135-Q149 VanDerWaalsContact SG-N 3.38Å; Q149-F158 CarbonylContact O-C 3.36Å; Q149-F158 WeakPolarHBondContact O-CA 3.26Å; Q149-T159 PolarHBondContact N-O 2.98Å; Q149-T159 PolarHBondContact O-N 3.13Å |
| 150 | D | 78.1 | Confident | 80.2 | Confident | 30 Ų | 30 | 73 Ų | 73 | 16% | 0.16 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 135.2 | 172 | -66.3 | -44.6 | 0 | 0 | 0 | 109 | G133 P134 C135 Q152 | G133-D150 WeakPolarHBondContact CA-OD1 3.5Å; P134-D150 VanDerWaalsContact CD-OD1 3.31Å; P134-D150 WeakPolarHBondContact CD-OD1 3.05Å; C135-D150 WeakPolarHBondContact CB-OD1 3.46Å; C135-D150 PolarHBondContact N-OD1 3.14Å; C135-D150 PolarHBondContact SG-N 3.19Å; C135-D150 PolarHBondContact SG-OD1 2.02Å; D150-Q152 PolarHBondContact O-N 3.26Å; D150-Q152 VanDerWaalsContact O-N 3.14Å |
| 151 | D | 70.2 | Confident | 80.7 | Confident | 61 Ų | 61 | 77 Ų | 77 | 33% | 0.326 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -73.2 | 110.3 | -179.7 | -71.2 | -25.9 | 0 | 0 | 0 | 109.7 | G153 F154 N157 T159 | D151-G153 PolarHBondContact O-N 3.29Å; D151-F154 PolarHBondContact O-N 3.05Å; D151-F154 VanDerWaalsContact O-N 3.13Å; D151-N157 HydrophobicContact CB-CB 4.09Å; D151-N157 PolarHBondContact N-O 3.38Å; D151-N157 VanDerWaalsContact N-O 3.07Å; D151-N157 VanDerWaalsContact OD2-CB 3.26Å; D151-N157 WeakPolarHBondContact OD2-CB 3.27Å; D151-T159 PolarHBondContact OD1-OG1 3.14Å |
| 152 | Q | 63 | Low | 81.1 | Confident | 196 Ų | 196 | 78.4 Ų | 78.4 | 92% | 0.916 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 23.1 | 174.9 | -54.8 | -176.8 | 15.3 | 0 | 0 | 115.2 | D150 F154 | D150-Q152 PolarHBondContact O-N 3.26Å; D150-Q152 VanDerWaalsContact O-N 3.14Å; Q152-F154 VanDerWaalsContact C-N 3.27Å; Q152-F154 PolarHBondContact O-N 3.13Å |
| 153 | G | 53.2 | Low | 81.2 | Confident | 28 Ų | 28 | 82.6 Ų | 82.6 | 29% | 0.289 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 13.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | D151 | D151-G153 PolarHBondContact O-N 3.29Š|
| 154 | F | 55.5 | Low | 81.3 | Confident | 175 Ų | 175 | 80.7 Ų | 80.7 | 77% | 0.768 | 43% | 0.432 | S | S | * | . | trans | -103.7 | 115.2 | 172.5 | -106.8 | -93.7 | 0 | 0 | 0 | 111.3 | D151 Q152 L156 | D151-F154 PolarHBondContact O-N 3.05Å; D151-F154 VanDerWaalsContact O-N 3.13Å; Q152-F154 VanDerWaalsContact C-N 3.27Å; Q152-F154 PolarHBondContact O-N 3.13Å; F154-L156 PolarHBondContact O-N 2.83Å | ||
| 155 | A | 58.7 | Low | 81.4 | Confident | 14 Ų | 14 | 77.5 Ų | 77.5 | 12% | 0.116 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 20.2 | -159.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | K131 A132 | K131-A155 HydrophobicContact CB-CB 3.79Å; K131-A155 HydrophobicContact CD-CB 3.8Å; K131-A155 HydrophobicContact CG-CB 3.6Å; A132-A155 WeakPolarHBondContact O-CB 3.22Å |
| 156 | L | 64.4 | Low | 81.7 | Confident | 146 Ų | 146 | 75.8 Ų | 75.8 | 76% | 0.764 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -27.9 | -179.9 | -65.6 | 176.3 | 0 | 0 | 0 | 113.6 | F154 | F154-L156 PolarHBondContact O-N 2.83Š|
| 157 | N | 75.4 | Confident | 81.8 | Confident | 106 Ų | 106 | 79 Ų | 79 | 57% | 0.567 | 41% | 0.41 | S | S | * | . | trans | -115.8 | 143 | -179.6 | -67.8 | -16.7 | 0 | 0 | 0 | 110.8 | D151 | D151-N157 HydrophobicContact CB-CB 4.09Å; D151-N157 PolarHBondContact N-O 3.38Å; D151-N157 VanDerWaalsContact N-O 3.07Å; D151-N157 VanDerWaalsContact OD2-CB 3.26Å; D151-N157 WeakPolarHBondContact OD2-CB 3.27Å | ||
| 158 | F | 83.5 | Confident | 82 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 29% | 0.289 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.1 | 176.9 | 69.1 | -85.6 | 0 | 0 | 0 | 109.2 | P134 P141 Q149 C160 R170 | P134-F158 HydrophobicContact CB-CB 4.45Å; P134-F158 HydrophobicContact CB-CD1 3.91Å; P134-F158 HydrophobicContact CB-CG 4.37Å; P134-F158 HydrophobicContact CG-CB 4.48Å; P134-F158 HydrophobicContact CG-CD1 3.99Å; P141-F158 HydrophobicContact CB-CD2 4.23Å; P141-F158 HydrophobicContact CB-CE1 4.16Å; P141-F158 HydrophobicContact CB-CE2 3.73Å; P141-F158 HydrophobicContact CB-CZ 3.69Å; P141-F158 HydrophobicContact CG-CD1 4.15Å; P141-F158 HydrophobicContact CG-CD2 3.54Å; P141-F158 HydrophobicContact CG-CE1 4.17Å; P141-F158 HydrophobicContact CG-CE2 3.58Å; P141-F158 HydrophobicContact CG-CG 3.85Å; P141-F158 HydrophobicContact CG-CZ 3.9Å; Q149-F158 CarbonylContact O-C 3.36Å; Q149-F158 WeakPolarHBondContact O-CA 3.26Å; F158-C160 VanDerWaalsContact CE2-SG 3.57Å; F158-R170 HydrophobicContact CE2-CG 4.23Å; F158-R170 HydrophobicContact CZ-CG 4.2Å |
| 159 | T | 88.3 | Confident | 82.1 | Confident | 63 Ų | 63 | 77.1 Ų | 77.1 | 39% | 0.387 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.9 | 172.1 | -61 | 0 | 0 | 0 | 0 | 109.2 | Q149 D151 | Q149-T159 PolarHBondContact N-O 2.98Å; Q149-T159 PolarHBondContact O-N 3.13Å; D151-T159 PolarHBondContact OD1-OG1 3.14Å |
| 160 | C | 92.4 | Very high | 82.4 | Confident | 15 Ų | 15 | 77.3 Ų | 77.3 | 10% | 0.101 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 125.1 | 172 | -67.9 | 0 | 0 | 0 | 0 | 110.9 | C142 F158 A169 | C142-C160 WeakPolarHBondContact CA-SG 3.34Å; C142-C160 HydrophobicContact CB-CB 3.84Å; C142-C160 WeakPolarHBondContact CB-SG 3.32Å; C142-C160 WeakPolarHBondContact SG-CA 3.21Å; C142-C160 WeakPolarHBondContact SG-CB 3.38Å; C142-C160 CovalentContact SG-SG 2.02Å; C142-C160 PolarHBondContact SG-SG 2.78Å; F158-C160 VanDerWaalsContact CE2-SG 3.57Å; C160-A169 WeakPolarHBondContact CB-O 3.49Å |
| 161 | R | 94.3 | Very high | 83.3 | Confident | 142 Ų | 142 | 76 Ų | 76 | 54% | 0.536 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 112.9 | 166.6 | -65.5 | -176.5 | -176.6 | -174.7 | 0.8 | 109 | G146 Q147 | G146-R161 CarbonylContact C-O 3.56Å; G146-R161 WeakPolarHBondContact CA-O 3.41Å; Q147-R161 HydrophobicContact CB-CB 4.31Å; Q147-R161 PolarHBondContact N-O 3.46Å; Q147-R161 PolarHBondContact O-N 3.22Å |
| 162 | C | 96.5 | Very high | 84.5 | Confident | 47 Ų | 47 | 77.7 Ų | 77.7 | 32% | 0.318 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 143.9 | -175.5 | -53.9 | 0 | 0 | 0 | 0 | 112.3 | F166 C171 | C162-F166 HydrophobicContact CB-CB 4.28Å; C162-F166 WeakPolarHBondContact CB-O 3.39Å; C162-C171 WeakPolarHBondContact CA-SG 3.45Å; C162-C171 HydrophobicContact CB-CB 3.67Å; C162-C171 WeakPolarHBondContact CB-SG 3.03Å; C162-C171 PolarHBondContact N-SG 2.9Å; C162-C171 VanDerWaalsContact N-SG 3.45Å; C162-C171 WeakPolarHBondContact SG-CA 3.37Å; C162-C171 WeakPolarHBondContact SG-CB 3.37Å; C162-C171 CovalentContact SG-SG 2.04Å; C162-C171 PolarHBondContact SG-SG 2.81Å |
| 163 | L | 95.9 | Very high | 86.1 | Confident | 99 Ų | 99 | 71.7 Ų | 71.7 | 52% | 0.518 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -67 | 156.2 | 165.5 | -64.9 | -179.8 | 0 | 0 | 0 | 109.9 | G165 F166 | L163-G165 PolarHBondContact O-N 3.38Å; L163-F166 HydrophobicContact CB-CD2 4.4Å; L163-F166 PolarHBondContact O-N 2.97Å; L163-F166 VanDerWaalsContact O-N 3.08Å |
| 164 | V | 94.7 | Very high | 88.2 | Confident | 109 Ų | 109 | 72.6 Ų | 72.6 | 66% | 0.661 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 135.3 | 179.6 | -166.5 | 0 | 0 | 0 | 0 | 109.9 | N194 | V164-N194 HydrophobicContact CG1-CB 4.34Å; V164-N194 VanDerWaalsContact CG1-CG 3.48Å; V164-N194 WeakPolarHBondContact CG1-OD1 3.38Å |
| 165 | G | 95.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 66.8 Ų | 66.8 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.6 | -6.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L163 N174 V175 | L163-G165 PolarHBondContact O-N 3.38Å; G165-N174 PolarHBondContact O-OD1 3.49Å; G165-V175 WeakPolarHBondContact O-CG2 3.4Å; G165-V175 PolarHBondContact O-N 2.98Å |
| 166 | F | 97.6 | Very high | 91.9 | Very high | 25 Ų | 25 | 69.3 Ų | 69.3 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.4 | 175.2 | -64.2 | -77.3 | 0 | 0 | 0 | 112.8 | N144 C162 L163 C171 V173 N174 I193 | N144-F166 HydrophobicContact CB-CD1 3.8Å; N144-F166 HydrophobicContact CB-CD2 3.88Å; N144-F166 HydrophobicContact CB-CE1 3.68Å; N144-F166 HydrophobicContact CB-CE2 3.74Å; N144-F166 HydrophobicContact CB-CG 3.9Å; N144-F166 HydrophobicContact CB-CZ 3.64Å; N144-F166 WeakPolarHBondContact ND2-CD1 3.29Å; N144-F166 VanDerWaalsContact ND2-CE1 3.34Å; N144-F166 WeakPolarHBondContact ND2-CE1 3.37Å; C162-F166 HydrophobicContact CB-CB 4.28Å; C162-F166 WeakPolarHBondContact CB-O 3.39Å; L163-F166 HydrophobicContact CB-CD2 4.4Å; L163-F166 PolarHBondContact O-N 2.97Å; L163-F166 VanDerWaalsContact O-N 3.08Å; F166-C171 HydrophobicContact CB-CB 4.28Å; F166-V173 CarbonylContact C-O 3.52Å; F166-V173 VanDerWaalsContact CA-O 3.26Å; F166-V173 WeakPolarHBondContact CA-O 3.48Å; F166-N174 HydrophobicContact CD1-CB 4.37Å; F166-N174 HydrophobicContact CE1-CB 4.13Å; F166-I193 HydrophobicContact CD2-CG2 4.41Å; F166-I193 HydrophobicContact CE2-CD1 4.45Å; F166-I193 HydrophobicContact CE2-CG1 4.48Å; F166-I193 HydrophobicContact CE2-CG2 3.57Å; F166-I193 HydrophobicContact CZ-CD1 3.86Å; F166-I193 HydrophobicContact CZ-CG1 3.89Å; F166-I193 HydrophobicContact CZ-CG2 3.84Å |
| 167 | V | 95.1 | Very high | 93.4 | Very high | 74 Ų | 74 | 64.3 Ų | 64.3 | 45% | 0.448 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 174.7 | 176 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | C171 E172 V173 V175 | V167-C171 CarbonylContact O-C 3.55Å; V167-C171 WeakPolarHBondContact O-CA 3.03Å; V167-E172 PolarHBondContact O-N 3.29Å; V167-V173 HydrophobicContact CG2-CB 3.9Å; V167-V173 HydrophobicContact CG2-CG1 4.03Å; V167-V173 PolarHBondContact N-O 3.02Å; V167-V173 WeakPolarHBondContact O-CB 3.38Å; V167-V173 PolarHBondContact O-N 3.47Å; V167-V175 HydrophobicContact CB-CG2 4.29Å; V167-V175 HydrophobicContact CG1-CG2 3.57Å; V167-V175 HydrophobicContact CG2-CG2 3.89Å |
| 168 | G | 94.9 | Very high | 94.4 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 39% | 0.392 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 104.1 | 165.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R170 C171 | G168-R170 PolarHBondContact O-N 2.82Å; G168-C171 PolarHBondContact O-N 3.02Å |
| 169 | A | 91.7 | Very high | 95 | Very high | 82 Ų | 82 | 63.1 Ų | 63.1 | 68% | 0.678 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -23.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | C160 | C160-A169 WeakPolarHBondContact CB-O 3.49Š|
| 170 | R | 92.9 | Very high | 95.2 | Very high | 98 Ų | 98 | 68.4 Ų | 68.4 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 16.7 | 178.9 | -57.2 | 178 | 63.8 | -174.2 | 4.1 | 111.8 | P141 R143 F158 G168 E172 | P141-R170 VanDerWaalsContact O-CZ 3.24Å; P141-R170 PolarHBondContact O-NE 3.07Å; P141-R170 PolarHBondContact O-NH2 3.45Å; R143-R170 WeakPolarHBondContact CB-O 3.44Å; R143-R170 PolarHBondContact N-O 3.25Å; F158-R170 HydrophobicContact CE2-CG 4.23Å; F158-R170 HydrophobicContact CZ-CG 4.2Å; G168-R170 PolarHBondContact O-N 2.82Å; R170-E172 WeakPolarHBondContact CA-OE2 3.21Å; R170-E172 WeakPolarHBondContact CB-OE2 3.04Å; R170-E172 PolarHBondContact N-OE2 3.44Å; R170-E172 PolarHBondContact O-N 2.85Å |
| 171 | C | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.007 | 41% | 0.411 | C | S | . | . | S | Bend | trans | 58.7 | 32.8 | -177.7 | -45.8 | 0 | 0 | 0 | 0 | 113.7 | N144 C162 F166 V167 G168 | N144-C171 PolarHBondContact ND2-O 2.74Å; C162-C171 WeakPolarHBondContact CA-SG 3.45Å; C162-C171 HydrophobicContact CB-CB 3.67Å; C162-C171 WeakPolarHBondContact CB-SG 3.03Å; C162-C171 PolarHBondContact N-SG 2.9Å; C162-C171 VanDerWaalsContact N-SG 3.45Å; C162-C171 WeakPolarHBondContact SG-CA 3.37Å; C162-C171 WeakPolarHBondContact SG-CB 3.37Å; C162-C171 CovalentContact SG-SG 2.04Å; C162-C171 PolarHBondContact SG-SG 2.81Å; F166-C171 HydrophobicContact CB-CB 4.28Å; V167-C171 CarbonylContact O-C 3.55Å; V167-C171 WeakPolarHBondContact O-CA 3.03Å; G168-C171 PolarHBondContact O-N 3.02Å |
| 172 | E | 95.4 | Very high | 95.4 | Very high | 97 Ų | 97 | 72.6 Ų | 72.6 | 45% | 0.453 | 40% | 0.396 | S | S | . | . | trans | -84.3 | -18.1 | -173.1 | 68.9 | -79.3 | -168.6 | 0 | 0 | 113.9 | R143 V167 R170 | R143-E172 HydrophobicContact CG-CB 4.33Å; V167-E172 PolarHBondContact O-N 3.29Å; R170-E172 WeakPolarHBondContact CA-OE2 3.21Å; R170-E172 WeakPolarHBondContact CB-OE2 3.04Å; R170-E172 PolarHBondContact N-OE2 3.44Å; R170-E172 PolarHBondContact O-N 2.85Å | ||
| 173 | V | 95.9 | Very high | 95.5 | Very high | 71 Ų | 71 | 71.4 Ų | 71.4 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 121.5 | -174.4 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | F166 V167 | F166-V173 CarbonylContact C-O 3.52Å; F166-V173 VanDerWaalsContact CA-O 3.26Å; F166-V173 WeakPolarHBondContact CA-O 3.48Å; V167-V173 HydrophobicContact CG2-CB 3.9Å; V167-V173 HydrophobicContact CG2-CG1 4.03Å; V167-V173 PolarHBondContact N-O 3.02Å; V167-V173 WeakPolarHBondContact O-CB 3.38Å; V167-V173 PolarHBondContact O-N 3.47Å |
| 174 | N | 96.4 | Very high | 95.5 | Very high | 46 Ų | 46 | 68 Ų | 68 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 131.8 | 165.1 | -169.5 | 44.9 | 0 | 0 | 0 | 108.9 | G165 F166 D176 D191 G192 | G165-N174 PolarHBondContact O-OD1 3.49Å; F166-N174 HydrophobicContact CD1-CB 4.37Å; F166-N174 HydrophobicContact CE1-CB 4.13Å; N174-D176 PolarHBondContact O-N 3.27Å; N174-D191 PolarHBondContact ND2-OD2 3.27Å; N174-G192 PolarHBondContact ND2-O 2.88Å; N174-G192 PolarHBondContact OD1-O 3.38Å |
| 175 | V | 96.8 | Very high | 95.6 | Very high | 54 Ų | 54 | 66.8 Ų | 66.8 | 33% | 0.327 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 125.2 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 108 | G165 V167 D177 | G165-V175 WeakPolarHBondContact O-CG2 3.4Å; G165-V175 PolarHBondContact O-N 2.98Å; V167-V175 HydrophobicContact CB-CG2 4.29Å; V167-V175 HydrophobicContact CG1-CG2 3.57Å; V167-V175 HydrophobicContact CG2-CG2 3.89Å; V175-D177 PolarHBondContact O-N 3.23Å; V175-D177 VanDerWaalsContact O-N 3.07Å |
| 176 | D | 96.2 | Very high | 95.5 | Very high | 67 Ų | 67 | 69.9 Ų | 69.9 | 36% | 0.358 | 40% | 0.396 | S | S | . | . | trans | -72.9 | 100.5 | 176.8 | 178.5 | -0.3 | 0 | 0 | 0 | 110.1 | N174 C178 L179 D191 | N174-D176 PolarHBondContact O-N 3.27Å; D176-C178 PolarHBondContact O-N 3.05Å; D176-C178 WeakPolarHBondContact OD1-CA 3.43Å; D176-C178 WeakPolarHBondContact OD1-CB 2.99Å; D176-C178 PolarHBondContact OD1-N 3.49Å; D176-L179 HydrophobicContact CB-CD1 4.02Å; D176-L179 HydrophobicContact CB-CG 3.82Å; D176-L179 WeakPolarHBondContact O-CG 3.39Å; D176-L179 PolarHBondContact O-N 3.28Å; D176-D191 WeakPolarHBondContact CA-OD1 3.39Å | ||
| 177 | D | 96.3 | Very high | 95.5 | Very high | 41 Ų | 41 | 69.5 Ų | 69.5 | 22% | 0.219 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -12.4 | 179.3 | -72.8 | -70.7 | 0 | 0 | 0 | 112.3 | V175 D191 G192 N194 R195 F196 | V175-D177 PolarHBondContact O-N 3.23Å; V175-D177 VanDerWaalsContact O-N 3.07Å; D177-D191 PolarHBondContact N-OD1 2.74Å; D177-G192 VanDerWaalsContact OD2-O 3.09Å; D177-N194 WeakPolarHBondContact OD2-CA 3.47Å; D177-N194 PolarHBondContact OD2-N 2.59Å; D177-R195 PolarHBondContact OD2-N 2.84Å; D177-F196 HydrophobicContact CB-CB 3.9Å; D177-F196 HydrophobicContact CB-CD1 4.41Å |
| 178 | C | 96.8 | Very high | 95.6 | Very high | 21 Ų | 21 | 70.1 Ų | 70.1 | 14% | 0.142 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -7.6 | 178.7 | -66.7 | 0 | 0 | 0 | 0 | 114.1 | D176 M180 R181 C189 L190 D191 | D176-C178 PolarHBondContact O-N 3.05Å; D176-C178 WeakPolarHBondContact OD1-CA 3.43Å; D176-C178 WeakPolarHBondContact OD1-CB 2.99Å; D176-C178 PolarHBondContact OD1-N 3.49Å; C178-M180 PolarHBondContact O-N 3.33Å; C178-M180 VanDerWaalsContact O-N 3.15Å; C178-R181 WeakPolarHBondContact O-CA 3.27Å; C178-R181 PolarHBondContact O-N 2.83Å; C178-C189 VanDerWaalsContact CA-SG 3.53Å; C178-C189 HydrophobicContact CB-CB 3.68Å; C178-C189 WeakPolarHBondContact CB-SG 3.17Å; C178-C189 WeakPolarHBondContact SG-CB 3.17Å; C178-C189 CovalentContact SG-SG 2.03Å; C178-C189 PolarHBondContact SG-SG 3.15Å; C178-L190 VanDerWaalsContact SG-C 3.51Å; C178-D191 PolarHBondContact SG-N 2.04Å |
| 179 | L | 95.2 | Very high | 95.8 | Very high | 126 Ų | 126 | 70 Ų | 70 | 66% | 0.66 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -35 | -178.9 | -77.7 | 171 | 0 | 0 | 0 | 113.5 | D176 R181 | D176-L179 HydrophobicContact CB-CD1 4.02Å; D176-L179 HydrophobicContact CB-CG 3.82Å; D176-L179 WeakPolarHBondContact O-CG 3.39Å; D176-L179 PolarHBondContact O-N 3.28Å; L179-R181 PolarHBondContact O-N 2.87Å |
| 180 | M | 93.4 | Very high | 96.1 | Very high | 173 Ų | 173 | 69.6 Ų | 69.6 | 85% | 0.852 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.5 | 178.7 | -65.6 | -60.1 | -68.4 | 0 | 0 | 113.5 | C178 | C178-M180 PolarHBondContact O-N 3.33Å; C178-M180 VanDerWaalsContact O-N 3.15Å |
| 181 | R | 94.6 | Very high | 96.3 | Very high | 212 Ų | 212 | 68.4 Ų | 68.4 | 80% | 0.8 | 38% | 0.381 | S | S | * | . | trans | 51 | 60 | 179.8 | -55.7 | 174.2 | 73.3 | -125.7 | 3.7 | 112.1 | C178 L179 C183 | C178-R181 WeakPolarHBondContact O-CA 3.27Å; C178-R181 PolarHBondContact O-N 2.83Å; L179-R181 PolarHBondContact O-N 2.87Å; R181-C183 VanDerWaalsContact C-N 3.26Å; R181-C183 PolarHBondContact O-N 2.02Å | ||
| 182 | P | 95.8 | Very high | 96.2 | Very high | 33 Ų | 33 | 69 Ų | 69 | 21% | 0.214 | 39% | 0.388 | C | S | . | . | trans | -68.4 | -22.5 | -175.1 | 28.1 | -35.1 | 0 | 0 | 0 | 113.6 | F196 F208 | P182-F196 HydrophobicContact CB-CD1 4.49Å; P182-F196 HydrophobicContact CB-CD2 4.11Å; P182-F196 HydrophobicContact CB-CE1 4.1Å; P182-F196 HydrophobicContact CB-CE2 3.68Å; P182-F196 HydrophobicContact CB-CZ 3.72Å; P182-F196 HydrophobicContact CG-CD1 4.01Å; P182-F196 HydrophobicContact CG-CD2 3.52Å; P182-F196 HydrophobicContact CG-CE1 4.13Å; P182-F196 HydrophobicContact CG-CE2 3.65Å; P182-F196 HydrophobicContact CG-CG 3.74Å; P182-F196 HydrophobicContact CG-CZ 3.99Å; P182-F208 HydrophobicContact CB-CD1 4.17Å; P182-F208 HydrophobicContact CB-CE1 4.22Å; P182-F208 WeakPolarHBondContact O-CD1 3.36Å | ||
| 183 | C | 97.8 | Very high | 96.2 | Very high | 22 Ų | 22 | 68.6 Ų | 68.6 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | trans | -84 | 135.4 | -176.3 | -49.4 | 0 | 0 | 0 | 0 | 112.4 | R181 A187 C189 C198 | R181-C183 VanDerWaalsContact C-N 3.26Å; R181-C183 PolarHBondContact O-N 2.02Å; C183-A187 HydrophobicContact CB-CB 3.83Å; C183-C189 HydrophobicContact CB-CB 4.45Å; C183-C189 WeakPolarHBondContact SG-CB 3.09Å; C183-C189 VanDerWaalsContact SG-SG 3.66Å; C183-C198 WeakPolarHBondContact CA-SG 3.3Å; C183-C198 HydrophobicContact CB-CB 3.73Å; C183-C198 WeakPolarHBondContact CB-SG 3.5Å; C183-C198 VanDerWaalsContact SG-CA 3.51Å; C183-C198 WeakPolarHBondContact SG-CB 3.5Å; C183-C198 CovalentContact SG-SG 2.02Å; C183-C198 PolarHBondContact SG-SG 2.93Å | ||
| 184 | A | 96.7 | Very high | 96.1 | Very high | 29 Ų | 29 | 69.5 Ų | 69.5 | 24% | 0.24 | 39% | 0.39 | C | S | . | . | trans | -99.3 | 175.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | G186 A187 F208 T210 | A184-G186 PolarHBondContact O-N 3.32Å; A184-G186 VanDerWaalsContact O-N 3.09Å; A184-A187 WeakPolarHBondContact O-CB 3.21Å; A184-A187 PolarHBondContact O-N 2.88Å; A184-F208 WeakPolarHBondContact CB-O 3.38Å; A184-F208 PolarHBondContact N-O 2.88Å; A184-T210 HydrophobicContact CB-CG2 3.58Å | ||
| 185 | N | 96.1 | Very high | 96.1 | Very high | 83 Ų | 83 | 74 Ų | 74 | 44% | 0.444 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 33 | 169.1 | -59.7 | -40.8 | 0 | 0 | 0 | 115.6 | A187 P201 F204 C209 | N185-A187 VanDerWaalsContact C-N 3.27Å; N185-A187 PolarHBondContact O-N 3.42Å; N185-P201 WeakPolarHBondContact O-CG 3.39Å; N185-F204 HydrophobicContact CB-CD1 4.03Å; N185-F204 HydrophobicContact CB-CD2 4.01Å; N185-F204 HydrophobicContact CB-CE1 3.84Å; N185-F204 HydrophobicContact CB-CE2 3.76Å; N185-F204 HydrophobicContact CB-CG 4.11Å; N185-F204 HydrophobicContact CB-CZ 3.68Å; N185-F204 VanDerWaalsContact CG-CE1 3.45Å; N185-F204 VanDerWaalsContact ND2-CD1 3.33Å; N185-F204 WeakPolarHBondContact ND2-CD1 3.04Å; N185-F204 WeakPolarHBondContact ND2-CE1 3.42Å; N185-C209 PolarHBondContact ND2-O 2.87Å |
| 186 | G | 94.1 | Very high | 96.1 | Very high | 75 Ų | 75 | 72.9 Ų | 72.9 | 77% | 0.773 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 11.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A184 | A184-G186 PolarHBondContact O-N 3.32Å; A184-G186 VanDerWaalsContact O-N 3.09Å |
| 187 | A | 97.3 | Very high | 96.1 | Very high | 17 Ų | 17 | 72.8 Ų | 72.8 | 14% | 0.14 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 144.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C183 A184 N185 L199 C209 | C183-A187 HydrophobicContact CB-CB 3.83Å; A184-A187 WeakPolarHBondContact O-CB 3.21Å; A184-A187 PolarHBondContact O-N 2.88Å; N185-A187 VanDerWaalsContact C-N 3.27Å; N185-A187 PolarHBondContact O-N 3.42Å; A187-L199 WeakPolarHBondContact CA-O 3.32Å; A187-L199 VanDerWaalsContact CB-O 3.29Å; A187-L199 WeakPolarHBondContact CB-O 3.33Å; A187-C209 HydrophobicContact CB-CB 3.72Å; A187-C209 VanDerWaalsContact CB-SG 3.54Å |
| 188 | T | 97.6 | Very high | 96.2 | Very high | 86 Ų | 86 | 71.8 Ų | 71.8 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 123.6 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 109.2 | L190 L199 | T188-L190 HydrophobicContact CG2-CD2 4.38Å; T188-L199 PolarHBondContact N-O 2.87Å; T188-L199 PolarHBondContact O-N 2.95Å |
| 189 | C | 98 | Very high | 96.3 | Very high | 35 Ų | 35 | 75.4 Ų | 75.4 | 24% | 0.236 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.3 | 174.8 | -168.6 | 0 | 0 | 0 | 0 | 110.1 | C178 C183 | C178-C189 VanDerWaalsContact CA-SG 3.53Å; C178-C189 HydrophobicContact CB-CB 3.68Å; C178-C189 WeakPolarHBondContact CB-SG 3.17Å; C178-C189 WeakPolarHBondContact SG-CB 3.17Å; C178-C189 CovalentContact SG-SG 2.03Å; C178-C189 PolarHBondContact SG-SG 3.15Å; C183-C189 HydrophobicContact CB-CB 4.45Å; C183-C189 WeakPolarHBondContact SG-CB 3.09Å; C183-C189 VanDerWaalsContact SG-SG 3.66Å |
| 190 | L | 97.6 | Very high | 96.4 | Very high | 75 Ų | 75 | 71.6 Ų | 71.6 | 39% | 0.393 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.3 | 172.4 | -57.8 | -179.4 | 0 | 0 | 0 | 108.9 | C178 T188 F196 S197 L199 | C178-L190 VanDerWaalsContact SG-C 3.51Å; T188-L190 HydrophobicContact CG2-CD2 4.38Å; L190-F196 CarbonylContact O-C 3.54Å; L190-F196 VanDerWaalsContact O-CA 3.32Å; L190-F196 WeakPolarHBondContact O-CA 3.35Å; L190-S197 WeakPolarHBondContact CB-O 3.48Å; L190-S197 PolarHBondContact N-O 2.96Å; L190-S197 PolarHBondContact O-N 2.96Å; L190-L199 HydrophobicContact CD1-CD1 3.82Å; L190-L199 HydrophobicContact CD1-CD2 3.89Å; L190-L199 HydrophobicContact CD1-CG 3.67Å; L190-L199 HydrophobicContact CD2-CD1 4.12Å; L190-L199 HydrophobicContact CG-CD1 4.1Å; L190-L199 HydrophobicContact CG-CG 3.98Å |
| 191 | D | 96.8 | Very high | 96.6 | Very high | 73 Ų | 73 | 65.7 Ų | 65.7 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 151.1 | 173.6 | -177.6 | 46.9 | 0 | 0 | 0 | 111.2 | N174 D176 D177 C178 | N174-D191 PolarHBondContact ND2-OD2 3.27Å; D176-D191 WeakPolarHBondContact CA-OD1 3.39Å; D177-D191 PolarHBondContact N-OD1 2.74Å; C178-D191 PolarHBondContact SG-N 2.04Å |
| 192 | G | 94.6 | Very high | 96.6 | Very high | 14 Ų | 14 | 62.4 Ų | 62.4 | 14% | 0.144 | 36% | 0.364 | C | S | . | . | trans | -151.3 | -175.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | N174 D177 N194 R195 | N174-G192 PolarHBondContact ND2-O 2.88Å; N174-G192 PolarHBondContact OD1-O 3.38Å; D177-G192 VanDerWaalsContact OD2-O 3.09Å; G192-N194 PolarHBondContact O-N 3.48Å; G192-R195 CarbonylContact C-O 3.53Å; G192-R195 VanDerWaalsContact C-O 3.29Å; G192-R195 WeakPolarHBondContact CA-O 3.35Å; G192-R195 PolarHBondContact N-O 3.17Å | ||
| 193 | I | 95.6 | Very high | 96.6 | Very high | 87 Ų | 87 | 61 Ų | 61 | 45% | 0.446 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -85.1 | 108.9 | 177.6 | -59.3 | 167.8 | 0 | 0 | 0 | 108.1 | F166 R195 | F166-I193 HydrophobicContact CD2-CG2 4.41Å; F166-I193 HydrophobicContact CE2-CD1 4.45Å; F166-I193 HydrophobicContact CE2-CG1 4.48Å; F166-I193 HydrophobicContact CE2-CG2 3.57Å; F166-I193 HydrophobicContact CZ-CD1 3.86Å; F166-I193 HydrophobicContact CZ-CG1 3.89Å; F166-I193 HydrophobicContact CZ-CG2 3.84Å; I193-R195 PolarHBondContact O-N 2.04Å; I193-R195 PolarHBondContact O-NH1 3.22Å; I193-R195 VanDerWaalsContact O-NH1 3.13Å |
| 194 | N | 95.1 | Very high | 96.6 | Very high | 91 Ų | 91 | 61.6 Ų | 61.6 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 53.7 | 33.2 | -179.2 | -170.6 | 46.2 | 0 | 0 | 0 | 112.8 | V164 D177 G192 | V164-N194 HydrophobicContact CG1-CB 4.34Å; V164-N194 VanDerWaalsContact CG1-CG 3.48Å; V164-N194 WeakPolarHBondContact CG1-OD1 3.38Å; D177-N194 WeakPolarHBondContact OD2-CA 3.47Å; D177-N194 PolarHBondContact OD2-N 2.59Å; G192-N194 PolarHBondContact O-N 3.48Å |
| 195 | R | 95.4 | Very high | 96.5 | Very high | 140 Ų | 140 | 61.6 Ų | 61.6 | 53% | 0.528 | 36% | 0.356 | S | S | . | . | trans | -165.8 | 150.7 | 179.8 | 71.6 | -174 | -175.9 | -79.2 | 1.4 | 108.8 | D177 G192 I193 | D177-R195 PolarHBondContact OD2-N 2.84Å; G192-R195 CarbonylContact C-O 3.53Å; G192-R195 VanDerWaalsContact C-O 3.29Å; G192-R195 WeakPolarHBondContact CA-O 3.35Å; G192-R195 PolarHBondContact N-O 3.17Å; I193-R195 PolarHBondContact O-N 2.04Å; I193-R195 PolarHBondContact O-NH1 3.22Å; I193-R195 VanDerWaalsContact O-NH1 3.13Å | ||
| 196 | F | 96.6 | Very high | 96.5 | Very high | 31 Ų | 31 | 59.4 Ų | 59.4 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 165.5 | 166.6 | 65.5 | -84.1 | 0 | 0 | 0 | 110.5 | D177 P182 L190 F208 | D177-F196 HydrophobicContact CB-CB 3.9Å; D177-F196 HydrophobicContact CB-CD1 4.41Å; P182-F196 HydrophobicContact CB-CD1 4.49Å; P182-F196 HydrophobicContact CB-CD2 4.11Å; P182-F196 HydrophobicContact CB-CE1 4.1Å; P182-F196 HydrophobicContact CB-CE2 3.68Å; P182-F196 HydrophobicContact CB-CZ 3.72Å; P182-F196 HydrophobicContact CG-CD1 4.01Å; P182-F196 HydrophobicContact CG-CD2 3.52Å; P182-F196 HydrophobicContact CG-CE1 4.13Å; P182-F196 HydrophobicContact CG-CE2 3.65Å; P182-F196 HydrophobicContact CG-CG 3.74Å; P182-F196 HydrophobicContact CG-CZ 3.99Å; L190-F196 CarbonylContact O-C 3.54Å; L190-F196 VanDerWaalsContact O-CA 3.32Å; L190-F196 WeakPolarHBondContact O-CA 3.35Å; F196-F208 HydrophobicContact CE1-CE1 4.44Å; F196-F208 HydrophobicContact CE2-CD1 4.07Å; F196-F208 HydrophobicContact CE2-CE1 4.02Å; F196-F208 AromaticContact CZ-CD1 3.95Å; F196-F208 HydrophobicContact CZ-CD1 3.95Å; F196-F208 AromaticContact CZ-CE1 3.42Å; F196-F208 HydrophobicContact CZ-CE1 3.42Å; F196-F208 VanDerWaalsContact CZ-CE1 3.42Å; F196-F208 HydrophobicContact CZ-CZ 4.21Å |
| 197 | S | 97.3 | Very high | 96.6 | Very high | 65 Ų | 65 | 63.9 Ų | 63.9 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.6 | 168.7 | -65.4 | 0 | 0 | 0 | 0 | 110.2 | L190 | L190-S197 WeakPolarHBondContact CB-O 3.48Å; L190-S197 PolarHBondContact N-O 2.96Å; L190-S197 PolarHBondContact O-N 2.96Å |
| 198 | C | 98.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 67.3 Ų | 67.3 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124.2 | 177.1 | -59.7 | 0 | 0 | 0 | 0 | 109.9 | C183 C200 R207 C209 | C183-C198 WeakPolarHBondContact CA-SG 3.3Å; C183-C198 HydrophobicContact CB-CB 3.73Å; C183-C198 WeakPolarHBondContact CB-SG 3.5Å; C183-C198 VanDerWaalsContact SG-CA 3.51Å; C183-C198 WeakPolarHBondContact SG-CB 3.5Å; C183-C198 CovalentContact SG-SG 2.02Å; C183-C198 PolarHBondContact SG-SG 2.93Å; C198-C200 PolarHBondContact O-N 2.74Å; C198-R207 WeakPolarHBondContact CB-O 3.4Å; C198-R207 PolarHBondContact SG-O 3.47Å; C198-C209 WeakPolarHBondContact CB-SG 3.4Å |
| 199 | L | 98 | Very high | 96.6 | Very high | 97 Ų | 97 | 63.2 Ų | 63.2 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 103.2 | 166.9 | -64.4 | -179.2 | 0 | 0 | 0 | 108.5 | A187 T188 L190 | A187-L199 WeakPolarHBondContact CA-O 3.32Å; A187-L199 VanDerWaalsContact CB-O 3.29Å; A187-L199 WeakPolarHBondContact CB-O 3.33Å; T188-L199 PolarHBondContact N-O 2.87Å; T188-L199 PolarHBondContact O-N 2.95Å; L190-L199 HydrophobicContact CD1-CD1 3.82Å; L190-L199 HydrophobicContact CD1-CD2 3.89Å; L190-L199 HydrophobicContact CD1-CG 3.67Å; L190-L199 HydrophobicContact CD2-CD1 4.12Å; L190-L199 HydrophobicContact CG-CD1 4.1Å; L190-L199 HydrophobicContact CG-CG 3.98Å |
| 200 | C | 97.9 | Very high | 96.6 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 31% | 0.311 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 135.3 | -178.8 | -55.3 | 0 | 0 | 0 | 0 | 111 | C198 F204 G206 C209 | C198-C200 PolarHBondContact O-N 2.74Å; C200-F204 HydrophobicContact CB-CB 4.27Å; C200-F204 WeakPolarHBondContact CB-O 3.13Å; C200-G206 PolarHBondContact SG-O 3.09Å; C200-C209 WeakPolarHBondContact CA-SG 3.48Å; C200-C209 HydrophobicContact CB-CB 3.73Å; C200-C209 WeakPolarHBondContact CB-SG 3.34Å; C200-C209 PolarHBondContact N-SG 3.29Å; C200-C209 VanDerWaalsContact N-SG 3.45Å; C200-C209 WeakPolarHBondContact SG-CA 3.49Å; C200-C209 WeakPolarHBondContact SG-CB 3.49Å; C200-C209 CovalentContact SG-SG 2.04Å; C200-C209 PolarHBondContact SG-SG 3.41Å |
| 201 | P | 96.9 | Very high | 96.5 | Very high | 49 Ų | 49 | 66.8 Ų | 66.8 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 162.6 | 167.2 | 20.1 | -17.8 | 0 | 0 | 0 | 110.4 | N185 F204 | N185-P201 WeakPolarHBondContact O-CG 3.39Å; P201-F204 HydrophobicContact CG-CD2 3.87Å; P201-F204 PolarHBondContact O-N 2.94Å; P201-F204 VanDerWaalsContact O-N 3.09Å |
| 202 | E | 96.1 | Very high | 96.5 | Very high | 143 Ų | 143 | 65.8 Ų | 65.8 | 67% | 0.668 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 142.4 | 178.3 | -62.5 | -177.3 | 150 | 0 | 0 | 111.3 | F204 H232 | E202-F204 VanDerWaalsContact C-N 3.26Å; E202-F204 PolarHBondContact O-N 3.5Å; E202-H232 HydrophobicContact CB-CB 4.18Å; E202-H232 IonicContact OE2-CD2 3.79Å; E202-H232 PolarHBondContact OE2-CD2 3.31Å; E202-H232 IonicContact OE2-NE2 2.8Å; E202-H232 PolarHBondContact OE2-NE2 3.47Å |
| 203 | G | 95.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 69 Ų | 69 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -8.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N212 L213 | G203-N212 PolarHBondContact O-OD1 3.15Å; G203-N212 VanDerWaalsContact O-OD1 3.07Å; G203-L213 WeakPolarHBondContact O-CB 3.33Å; G203-L213 PolarHBondContact O-N 3.15Å |
| 204 | F | 97.7 | Very high | 96.6 | Very high | 35 Ų | 35 | 69.3 Ų | 69.3 | 15% | 0.154 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 150.4 | 176.6 | -66.1 | -77.6 | 0 | 0 | 0 | 113.9 | N185 C200 P201 E202 C209 I211 N212 V231 | N185-F204 HydrophobicContact CB-CD1 4.03Å; N185-F204 HydrophobicContact CB-CD2 4.01Å; N185-F204 HydrophobicContact CB-CE1 3.84Å; N185-F204 HydrophobicContact CB-CE2 3.76Å; N185-F204 HydrophobicContact CB-CG 4.11Å; N185-F204 HydrophobicContact CB-CZ 3.68Å; N185-F204 VanDerWaalsContact CG-CE1 3.45Å; N185-F204 VanDerWaalsContact ND2-CD1 3.33Å; N185-F204 WeakPolarHBondContact ND2-CD1 3.04Å; N185-F204 WeakPolarHBondContact ND2-CE1 3.42Å; C200-F204 HydrophobicContact CB-CB 4.27Å; C200-F204 WeakPolarHBondContact CB-O 3.13Å; P201-F204 HydrophobicContact CG-CD2 3.87Å; P201-F204 PolarHBondContact O-N 2.94Å; P201-F204 VanDerWaalsContact O-N 3.09Å; E202-F204 VanDerWaalsContact C-N 3.26Å; E202-F204 PolarHBondContact O-N 3.5Å; F204-C209 HydrophobicContact CB-CB 4.39Å; F204-I211 CarbonylContact C-O 3.48Å; F204-I211 VanDerWaalsContact CA-O 3.25Å; F204-I211 WeakPolarHBondContact CA-O 3.42Å; F204-N212 HydrophobicContact CE1-CB 4.39Å; F204-V231 HydrophobicContact CD2-CG1 4.07Å; F204-V231 HydrophobicContact CE1-CG2 4.49Å; F204-V231 HydrophobicContact CE2-CG1 3.35Å; F204-V231 HydrophobicContact CE2-CG2 4.35Å; F204-V231 HydrophobicContact CZ-CB 4.44Å; F204-V231 HydrophobicContact CZ-CG1 3.69Å; F204-V231 HydrophobicContact CZ-CG2 3.81Å |
| 205 | A | 95.8 | Very high | 96.7 | Very high | 29 Ų | 29 | 66.7 Ų | 66.7 | 24% | 0.24 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C209 T210 I211 L213 | A205-C209 CarbonylContact O-C 3.49Å; A205-C209 VanDerWaalsContact O-CA 3.31Å; A205-C209 WeakPolarHBondContact O-CA 3.39Å; A205-T210 PolarHBondContact O-N 2.98Å; A205-I211 HydrophobicContact CB-CB 4.47Å; A205-I211 PolarHBondContact N-O 3Å; A205-I211 VanDerWaalsContact O-CB 3.32Å; A205-I211 WeakPolarHBondContact O-CB 3.2Å; A205-I211 PolarHBondContact O-N 3.04Å; A205-I211 VanDerWaalsContact O-N 3.14Å; A205-L213 HydrophobicContact CB-CD1 4.43Å; A205-L213 HydrophobicContact CB-CD2 3.62Å; A205-L213 HydrophobicContact CB-CG 4.01Å |
| 206 | G | 96.1 | Very high | 96.7 | Very high | 36 Ų | 36 | 60.8 Ų | 60.8 | 37% | 0.371 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 90.8 | 166.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C200 F208 C209 | C200-G206 PolarHBondContact SG-O 3.09Å; G206-F208 PolarHBondContact O-N 2.93Å; G206-F208 VanDerWaalsContact O-N 3.11Å; G206-C209 PolarHBondContact O-N 3.47Å |
| 207 | R | 95.6 | Very high | 96.7 | Very high | 169 Ų | 169 | 62.4 Ų | 62.4 | 64% | 0.638 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.6 | -175.4 | -176.9 | 175.4 | -177.6 | 163.1 | 0.8 | 113.9 | C198 | C198-R207 WeakPolarHBondContact CB-O 3.4Å; C198-R207 PolarHBondContact SG-O 3.47Å |
| 208 | F | 96.9 | Very high | 96.6 | Very high | 89 Ų | 89 | 64 Ų | 64 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 5.6 | -178.8 | -56.7 | -78.3 | 0 | 0 | 0 | 112.9 | P182 A184 F196 G206 T210 | P182-F208 HydrophobicContact CB-CD1 4.17Å; P182-F208 HydrophobicContact CB-CE1 4.22Å; P182-F208 WeakPolarHBondContact O-CD1 3.36Å; A184-F208 WeakPolarHBondContact CB-O 3.38Å; A184-F208 PolarHBondContact N-O 2.88Å; F196-F208 HydrophobicContact CE1-CE1 4.44Å; F196-F208 HydrophobicContact CE2-CD1 4.07Å; F196-F208 HydrophobicContact CE2-CE1 4.02Å; F196-F208 AromaticContact CZ-CD1 3.95Å; F196-F208 HydrophobicContact CZ-CD1 3.95Å; F196-F208 AromaticContact CZ-CE1 3.42Å; F196-F208 HydrophobicContact CZ-CE1 3.42Å; F196-F208 VanDerWaalsContact CZ-CE1 3.42Å; F196-F208 HydrophobicContact CZ-CZ 4.21Å; G206-F208 PolarHBondContact O-N 2.93Å; G206-F208 VanDerWaalsContact O-N 3.11Å; F208-T210 HydrophobicContact CB-CG2 3.91Å; F208-T210 PolarHBondContact O-N 3.02Å |
| 209 | C | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | S | Bend | trans | 56.3 | 30.8 | -175.8 | -49.3 | 0 | 0 | 0 | 0 | 114.4 | N185 A187 C198 C200 F204 A205 G206 | N185-C209 PolarHBondContact ND2-O 2.87Å; A187-C209 HydrophobicContact CB-CB 3.72Å; A187-C209 VanDerWaalsContact CB-SG 3.54Å; C198-C209 WeakPolarHBondContact CB-SG 3.4Å; C200-C209 WeakPolarHBondContact CA-SG 3.48Å; C200-C209 HydrophobicContact CB-CB 3.73Å; C200-C209 WeakPolarHBondContact CB-SG 3.34Å; C200-C209 PolarHBondContact N-SG 3.29Å; C200-C209 VanDerWaalsContact N-SG 3.45Å; C200-C209 WeakPolarHBondContact SG-CA 3.49Å; C200-C209 WeakPolarHBondContact SG-CB 3.49Å; C200-C209 CovalentContact SG-SG 2.04Å; C200-C209 PolarHBondContact SG-SG 3.41Å; F204-C209 HydrophobicContact CB-CB 4.39Å; A205-C209 CarbonylContact O-C 3.49Å; A205-C209 VanDerWaalsContact O-CA 3.31Å; A205-C209 WeakPolarHBondContact O-CA 3.39Å; G206-C209 PolarHBondContact O-N 3.47Å |
| 210 | T | 97.3 | Very high | 96.4 | Very high | 89 Ų | 89 | 67.4 Ų | 67.4 | 55% | 0.546 | 37% | 0.372 | S | S | . | . | trans | -89.9 | -12 | -179 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | A184 A205 F208 | A184-T210 HydrophobicContact CB-CG2 3.58Å; A205-T210 PolarHBondContact O-N 2.98Å; F208-T210 HydrophobicContact CB-CG2 3.91Å; F208-T210 PolarHBondContact O-N 3.02Å | ||
| 211 | I | 96.4 | Very high | 96.3 | Very high | 96 Ų | 96 | 66.1 Ų | 66.1 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 118.6 | -175.3 | -54.4 | 174.2 | 0 | 0 | 0 | 107.9 | F204 A205 | F204-I211 CarbonylContact C-O 3.48Å; F204-I211 VanDerWaalsContact CA-O 3.25Å; F204-I211 WeakPolarHBondContact CA-O 3.42Å; A205-I211 HydrophobicContact CB-CB 4.47Å; A205-I211 PolarHBondContact N-O 3Å; A205-I211 VanDerWaalsContact O-CB 3.32Å; A205-I211 WeakPolarHBondContact O-CB 3.2Å; A205-I211 PolarHBondContact O-N 3.04Å; A205-I211 VanDerWaalsContact O-N 3.14Å |
| 212 | N | 95.9 | Very high | 96.2 | Very high | 52 Ų | 52 | 68.2 Ų | 68.2 | 28% | 0.278 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 130.3 | 166.2 | -165.9 | 33.9 | 0 | 0 | 0 | 108.7 | G203 F204 D229 R230 | G203-N212 PolarHBondContact O-OD1 3.15Å; G203-N212 VanDerWaalsContact O-OD1 3.07Å; F204-N212 HydrophobicContact CE1-CB 4.39Å; N212-D229 PolarHBondContact ND2-OD2 2.83Å; N212-R230 PolarHBondContact ND2-O 3.29Å; N212-R230 PolarHBondContact OD1-O 3.01Å |
| 213 | L | 96.8 | Very high | 96 | Very high | 82 Ų | 82 | 67.2 Ų | 67.2 | 43% | 0.429 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 133.1 | 175.1 | -69.4 | 174.9 | 0 | 0 | 0 | 108.9 | G203 A205 D215 | G203-L213 WeakPolarHBondContact O-CB 3.33Å; G203-L213 PolarHBondContact O-N 3.15Å; A205-L213 HydrophobicContact CB-CD1 4.43Å; A205-L213 HydrophobicContact CB-CD2 3.62Å; A205-L213 HydrophobicContact CB-CG 4.01Å; L213-D215 PolarHBondContact O-N 3.11Å; L213-D215 VanDerWaalsContact O-N 3.11Å |
| 214 | D | 96.2 | Very high | 95.7 | Very high | 94 Ų | 94 | 70.9 Ų | 70.9 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | trans | -75.9 | 99.7 | -179.2 | -178 | 4.7 | 0 | 0 | 0 | 110.4 | C216 A217 D229 | D214-C216 PolarHBondContact O-N 2.86Å; D214-C216 WeakPolarHBondContact OD1-CA 3.4Å; D214-C216 WeakPolarHBondContact OD1-CB 3.21Å; D214-C216 PolarHBondContact OD1-N 3.11Å; D214-A217 HydrophobicContact CB-CB 4.29Å; D214-A217 VanDerWaalsContact O-CB 3.28Å; D214-A217 WeakPolarHBondContact O-CB 3.38Å; D214-A217 PolarHBondContact O-N 3.36Å; D214-D229 WeakPolarHBondContact CA-OD1 3.36Å | ||
| 215 | D | 96.4 | Very high | 95.6 | Very high | 36 Ų | 36 | 69.8 Ų | 69.8 | 19% | 0.193 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -12.7 | 178.5 | -68.9 | -61.4 | 0 | 0 | 0 | 111.9 | L213 D229 R230 H232 D233 F234 | L213-D215 PolarHBondContact O-N 3.11Å; L213-D215 VanDerWaalsContact O-N 3.11Å; D215-D229 PolarHBondContact N-OD1 2.91Å; D215-R230 VanDerWaalsContact OD2-O 3.08Å; D215-H232 VanDerWaalsContact OD2-CA 3.32Å; D215-H232 WeakPolarHBondContact OD2-CA 3.47Å; D215-H232 PolarHBondContact OD2-N 2.88Å; D215-D233 WeakPolarHBondContact CB-O 3.22Å; D215-D233 VanDerWaalsContact CG-O 3.31Å; D215-D233 PolarHBondContact OD2-N 3.35Å; D215-F234 HydrophobicContact CB-CB 4.05Å |
| 216 | C | 96.6 | Very high | 95.6 | Very high | 15 Ų | 15 | 77.5 Ų | 77.5 | 10% | 0.101 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -9 | 174.3 | -66 | 0 | 0 | 0 | 0 | 113.9 | D214 S218 H219 C227 D229 | D214-C216 PolarHBondContact O-N 2.86Å; D214-C216 WeakPolarHBondContact OD1-CA 3.4Å; D214-C216 WeakPolarHBondContact OD1-CB 3.21Å; D214-C216 PolarHBondContact OD1-N 3.11Å; C216-S218 PolarHBondContact O-N 2.87Å; C216-H219 WeakPolarHBondContact O-CA 3.38Å; C216-H219 PolarHBondContact O-N 3.1Å; C216-C227 VanDerWaalsContact CA-SG 3.5Å; C216-C227 HydrophobicContact CB-CB 3.64Å; C216-C227 WeakPolarHBondContact CB-SG 3.42Å; C216-C227 VanDerWaalsContact SG-C 3.53Å; C216-C227 WeakPolarHBondContact SG-CB 3.23Å; C216-C227 CovalentContact SG-SG 2.03Å; C216-C227 PolarHBondContact SG-SG 2.95Å; C216-D229 PolarHBondContact SG-N 3.45Å; C216-D229 VanDerWaalsContact SG-N 3.37Å |
| 217 | A | 96 | Very high | 95.7 | Very high | 65 Ų | 65 | 77.4 Ų | 77.4 | 54% | 0.537 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -28.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D214 H219 | D214-A217 HydrophobicContact CB-CB 4.29Å; D214-A217 VanDerWaalsContact O-CB 3.28Å; D214-A217 WeakPolarHBondContact O-CB 3.38Å; D214-A217 PolarHBondContact O-N 3.36Å; A217-H219 PolarHBondContact O-N 3Å |
| 218 | S | 95.1 | Very high | 95.8 | Very high | 99 Ų | 99 | 74.8 Ų | 74.8 | 69% | 0.692 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 4.2 | 175.6 | 65.3 | 0 | 0 | 0 | 0 | 113.8 | C216 | C216-S218 PolarHBondContact O-N 2.87Š|
| 219 | H | 95.3 | Very high | 95.7 | Very high | 163 Ų | 163 | 73.3 Ų | 73.3 | 76% | 0.755 | 40% | 0.397 | S | S | * | . | trans | 49.4 | 57.1 | -174.5 | -59 | -62 | 0 | 0 | 0 | 113.8 | C216 A217 C221 | C216-H219 WeakPolarHBondContact O-CA 3.38Å; C216-H219 PolarHBondContact O-N 3.1Å; A217-H219 PolarHBondContact O-N 3Å; H219-C221 VanDerWaalsContact C-N 3.26Å; H219-C221 PolarHBondContact O-N 3.49Å | ||
| 220 | P | 96.1 | Very high | 95.6 | Very high | 24 Ų | 24 | 78.7 Ų | 78.7 | 16% | 0.156 | 42% | 0.417 | C | S | . | . | trans | -69.4 | -22 | -174.8 | 29.2 | -35.6 | 0 | 0 | 0 | 113.6 | F234 T246 | P220-F234 HydrophobicContact CB-CD1 4.35Å; P220-F234 HydrophobicContact CB-CD2 4.12Å; P220-F234 HydrophobicContact CB-CE1 3.91Å; P220-F234 HydrophobicContact CB-CE2 3.67Å; P220-F234 HydrophobicContact CB-CG 4.45Å; P220-F234 HydrophobicContact CB-CZ 3.55Å; P220-F234 HydrophobicContact CG-CD1 3.95Å; P220-F234 HydrophobicContact CG-CD2 3.61Å; P220-F234 HydrophobicContact CG-CE1 4.04Å; P220-F234 HydrophobicContact CG-CE2 3.72Å; P220-F234 HydrophobicContact CG-CG 3.75Å; P220-F234 HydrophobicContact CG-CZ 3.93Å; P220-T246 VanDerWaalsContact O-CB 3.24Å; P220-T246 WeakPolarHBondContact O-CB 3.13Å; P220-T246 VanDerWaalsContact O-CG2 3.31Å; P220-T246 WeakPolarHBondContact O-CG2 3.3Å | ||
| 221 | C | 97 | Very high | 95.5 | Very high | 20 Ų | 20 | 78.1 Ų | 78.1 | 14% | 0.135 | 41% | 0.413 | C | S | . | . | trans | -80.8 | 125.7 | -177.7 | -54.9 | 0 | 0 | 0 | 0 | 112.4 | H219 A225 C227 C236 | H219-C221 VanDerWaalsContact C-N 3.26Å; H219-C221 PolarHBondContact O-N 3.49Å; C221-A225 HydrophobicContact CB-CB 3.96Å; C221-C227 HydrophobicContact CB-CB 4.41Å; C221-C227 VanDerWaalsContact SG-CA 3.59Å; C221-C227 WeakPolarHBondContact SG-CB 3.48Å; C221-C227 VanDerWaalsContact SG-SG 3.61Å; C221-C236 WeakPolarHBondContact CA-SG 3.45Å; C221-C236 HydrophobicContact CB-CB 3.8Å; C221-C236 WeakPolarHBondContact CB-SG 3.01Å; C221-C236 WeakPolarHBondContact SG-CA 3.37Å; C221-C236 WeakPolarHBondContact SG-CB 3.35Å; C221-C236 CovalentContact SG-SG 2.02Å; C221-C236 PolarHBondContact SG-SG 3.21Å | ||
| 222 | Q | 95.4 | Very high | 95.4 | Very high | 92 Ų | 92 | 78.4 Ų | 78.4 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | trans | -86.6 | 170.5 | -178.9 | -57.8 | -175.1 | 22.4 | 0 | 0 | 112.5 | G224 A225 T246 | Q222-G224 PolarHBondContact O-N 3.33Å; Q222-G224 VanDerWaalsContact O-N 3.12Å; Q222-A225 VanDerWaalsContact O-CB 3.23Å; Q222-A225 WeakPolarHBondContact O-CB 3.26Å; Q222-A225 PolarHBondContact O-N 2.94Å; Q222-T246 WeakPolarHBondContact CB-O 2.98Å; Q222-T246 PolarHBondContact N-O 2.92Å | ||
| 223 | R | 92 | Very high | 95.4 | Very high | 123 Ų | 123 | 79 Ų | 79 | 46% | 0.464 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 31.1 | 169.2 | -50.1 | -179.8 | -172.1 | -90.6 | 0.9 | 114.3 | A225 Y242 C247 E248 | R223-A225 PolarHBondContact O-N 3.31Å; R223-Y242 VanDerWaalsContact CZ-CE1 3.44Å; R223-Y242 VanDerWaalsContact NE-CD1 3.32Å; R223-Y242 VanDerWaalsContact NE-CE1 3.3Å; R223-C247 WeakPolarHBondContact CD-O 3Å; R223-C247 PolarHBondContact NE-O 2.91Å; R223-E248 PolarHBondContact NH2-O 3.47Å |
| 224 | G | 88.1 | Confident | 95.4 | Very high | 80 Ų | 80 | 76.9 Ų | 76.9 | 83% | 0.825 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 16.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q222 | Q222-G224 PolarHBondContact O-N 3.33Å; Q222-G224 VanDerWaalsContact O-N 3.12Å |
| 225 | A | 95.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 74.3 Ų | 74.3 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 141.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C221 Q222 R223 C227 L237 C247 | C221-A225 HydrophobicContact CB-CB 3.96Å; Q222-A225 VanDerWaalsContact O-CB 3.23Å; Q222-A225 WeakPolarHBondContact O-CB 3.26Å; Q222-A225 PolarHBondContact O-N 2.94Å; R223-A225 PolarHBondContact O-N 3.31Å; A225-C227 PolarHBondContact O-N 3.43Å; A225-L237 WeakPolarHBondContact CB-O 3.31Å; A225-C247 HydrophobicContact CB-CB 4.21Å; A225-C247 VanDerWaalsContact CB-SG 3.51Å |
| 226 | R | 96.3 | Very high | 95.5 | Very high | 190 Ų | 190 | 73.6 Ų | 73.6 | 72% | 0.717 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 124.8 | 177.1 | 179.1 | 177.4 | 177.7 | -177.5 | 1.6 | 109.5 | L237 | R226-L237 HydrophobicContact CB-CB 4.34Å; R226-L237 HydrophobicContact CB-CD1 4.28Å; R226-L237 HydrophobicContact CG-CD1 4.33Å; R226-L237 PolarHBondContact O-N 3.33Å |
| 227 | C | 97.6 | Very high | 95.5 | Very high | 34 Ų | 34 | 77.3 Ų | 77.3 | 23% | 0.23 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 141.1 | 173.6 | -166.7 | 0 | 0 | 0 | 0 | 111.3 | C216 C221 A225 | C216-C227 VanDerWaalsContact CA-SG 3.5Å; C216-C227 HydrophobicContact CB-CB 3.64Å; C216-C227 WeakPolarHBondContact CB-SG 3.42Å; C216-C227 VanDerWaalsContact SG-C 3.53Å; C216-C227 WeakPolarHBondContact SG-CB 3.23Å; C216-C227 CovalentContact SG-SG 2.03Å; C216-C227 PolarHBondContact SG-SG 2.95Å; C221-C227 HydrophobicContact CB-CB 4.41Å; C221-C227 VanDerWaalsContact SG-CA 3.59Å; C221-C227 WeakPolarHBondContact SG-CB 3.48Å; C221-C227 VanDerWaalsContact SG-SG 3.61Å; A225-C227 PolarHBondContact O-N 3.43Å |
| 228 | R | 96.9 | Very high | 95.4 | Very high | 115 Ų | 115 | 76.2 Ų | 76.2 | 43% | 0.434 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 119.2 | 169.9 | 174.7 | 176.4 | 68.7 | -169.8 | -5.1 | 109.1 | R230 D235 | R228-R230 VanDerWaalsContact CZ-NH2 3.27Å; R228-D235 HydrophobicContact CB-CB 4.28Å; R228-D235 IonicContact CZ-OD2 3.09Å; R228-D235 PolarHBondContact N-O 2.9Å; R228-D235 IonicContact NE-OD2 3.66Å; R228-D235 PolarHBondContact NE-OD2 3.47Å; R228-D235 IonicContact NH2-OD2 3.11Å; R228-D235 PolarHBondContact NH2-OD2 3Å; R228-D235 PolarHBondContact O-N 3.47Å |
| 229 | D | 96 | Very high | 95.3 | Very high | 58 Ų | 58 | 74 Ų | 74 | 31% | 0.31 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 140 | 175.9 | -176.2 | 46.8 | 0 | 0 | 0 | 111.9 | N212 D214 D215 C216 | N212-D229 PolarHBondContact ND2-OD2 2.83Å; D214-D229 WeakPolarHBondContact CA-OD1 3.36Å; D215-D229 PolarHBondContact N-OD1 2.91Å; C216-D229 PolarHBondContact SG-N 3.45Å; C216-D229 VanDerWaalsContact SG-N 3.37Å |
| 230 | R | 94.9 | Very high | 95.1 | Very high | 112 Ų | 112 | 72.2 Ų | 72.2 | 42% | 0.423 | 38% | 0.382 | S | S | . | . | trans | -131.2 | -168 | 171.3 | -59.3 | -66 | -159.7 | 156.6 | 12.6 | 108.5 | N212 D215 R228 D233 D235 | N212-R230 PolarHBondContact ND2-O 3.29Å; N212-R230 PolarHBondContact OD1-O 3.01Å; D215-R230 VanDerWaalsContact OD2-O 3.08Å; R228-R230 VanDerWaalsContact CZ-NH2 3.27Å; R230-D233 CarbonylContact C-O 3.52Å; R230-D233 WeakPolarHBondContact CA-O 3.29Å; R230-D233 HydrophobicContact CB-CB 4.12Å; R230-D233 WeakPolarHBondContact CB-O 3.41Å; R230-D233 PolarHBondContact N-O 2.86Å; R230-D235 IonicContact CZ-OD2 3.29Å; R230-D235 IonicContact NE-OD2 2.74Å; R230-D235 PolarHBondContact NE-OD2 2.9Å; R230-D235 IonicContact NH2-OD2 3Å; R230-D235 PolarHBondContact NH2-OD2 3.47Å | ||
| 231 | V | 95.3 | Very high | 94.8 | Very high | 77 Ų | 77 | 72.4 Ų | 72.4 | 47% | 0.467 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -96.5 | 110.5 | 177.7 | 175.3 | 0 | 0 | 0 | 0 | 107.2 | F204 D233 | F204-V231 HydrophobicContact CD2-CG1 4.07Å; F204-V231 HydrophobicContact CE1-CG2 4.49Å; F204-V231 HydrophobicContact CE2-CG1 3.35Å; F204-V231 HydrophobicContact CE2-CG2 4.35Å; F204-V231 HydrophobicContact CZ-CB 4.44Å; F204-V231 HydrophobicContact CZ-CG1 3.69Å; F204-V231 HydrophobicContact CZ-CG2 3.81Å; V231-D233 PolarHBondContact O-N 3.4Å |
| 232 | H | 94.9 | Very high | 94.6 | Very high | 102 Ų | 102 | 75.2 Ų | 75.2 | 47% | 0.472 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 56.6 | 29.1 | -176.1 | -163 | 49.2 | 0 | 0 | 0 | 113 | E202 D215 | E202-H232 HydrophobicContact CB-CB 4.18Å; E202-H232 IonicContact OE2-CD2 3.79Å; E202-H232 PolarHBondContact OE2-CD2 3.31Å; E202-H232 IonicContact OE2-NE2 2.8Å; E202-H232 PolarHBondContact OE2-NE2 3.47Å; D215-H232 VanDerWaalsContact OD2-CA 3.32Å; D215-H232 WeakPolarHBondContact OD2-CA 3.47Å; D215-H232 PolarHBondContact OD2-N 2.88Å |
| 233 | D | 95.8 | Very high | 94.4 | Very high | 65 Ų | 65 | 71.3 Ų | 71.3 | 35% | 0.348 | 38% | 0.381 | S | S | . | . | trans | -162.4 | 169.8 | -179.7 | -164.1 | 14.4 | 0 | 0 | 0 | 110.2 | D215 R230 V231 K245 | D215-D233 WeakPolarHBondContact CB-O 3.22Å; D215-D233 VanDerWaalsContact CG-O 3.31Å; D215-D233 PolarHBondContact OD2-N 3.35Å; R230-D233 CarbonylContact C-O 3.52Å; R230-D233 WeakPolarHBondContact CA-O 3.29Å; R230-D233 HydrophobicContact CB-CB 4.12Å; R230-D233 WeakPolarHBondContact CB-O 3.41Å; R230-D233 PolarHBondContact N-O 2.86Å; V231-D233 PolarHBondContact O-N 3.4Å; D233-K245 WeakPolarHBondContact OD1-CE 3.42Å; D233-K245 IonicContact OD1-NZ 3.38Å; D233-K245 PolarHBondContact OD1-NZ 3.5Å; D233-K245 IonicContact OD2-NZ 2.75Å; D233-K245 PolarHBondContact OD2-NZ 3.28Å | ||
| 234 | F | 96.6 | Very high | 94.5 | Very high | 37 Ų | 37 | 67.2 Ų | 67.2 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 154.2 | 175 | 62.5 | -87.9 | 0 | 0 | 0 | 111.3 | D215 P220 K245 T246 | D215-F234 HydrophobicContact CB-CB 4.05Å; P220-F234 HydrophobicContact CB-CD1 4.35Å; P220-F234 HydrophobicContact CB-CD2 4.12Å; P220-F234 HydrophobicContact CB-CE1 3.91Å; P220-F234 HydrophobicContact CB-CE2 3.67Å; P220-F234 HydrophobicContact CB-CG 4.45Å; P220-F234 HydrophobicContact CB-CZ 3.55Å; P220-F234 HydrophobicContact CG-CD1 3.95Å; P220-F234 HydrophobicContact CG-CD2 3.61Å; P220-F234 HydrophobicContact CG-CE1 4.04Å; P220-F234 HydrophobicContact CG-CE2 3.72Å; P220-F234 HydrophobicContact CG-CG 3.75Å; P220-F234 HydrophobicContact CG-CZ 3.93Å; F234-K245 HydrophobicContact CE2-CD 4.48Å; F234-K245 HydrophobicContact CE2-CG 4.17Å; F234-K245 HydrophobicContact CZ-CG 4.1Å; F234-K245 WeakPolarHBondContact O-CE 3.27Å; F234-K245 PolarHBondContact O-NZ 2.88Å; F234-T246 HydrophobicContact CE2-CG2 3.97Å; F234-T246 HydrophobicContact CZ-CG2 3.87Å |
| 235 | D | 96.7 | Very high | 94.8 | Very high | 41 Ų | 41 | 67.7 Ų | 67.7 | 22% | 0.219 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126 | 171.9 | -69.4 | -37.2 | 0 | 0 | 0 | 110.6 | R228 R230 | R228-D235 HydrophobicContact CB-CB 4.28Å; R228-D235 IonicContact CZ-OD2 3.09Å; R228-D235 PolarHBondContact N-O 2.9Å; R228-D235 IonicContact NE-OD2 3.66Å; R228-D235 PolarHBondContact NE-OD2 3.47Å; R228-D235 IonicContact NH2-OD2 3.11Å; R228-D235 PolarHBondContact NH2-OD2 3Å; R228-D235 PolarHBondContact O-N 3.47Å; R230-D235 IonicContact CZ-OD2 3.29Å; R230-D235 IonicContact NE-OD2 2.74Å; R230-D235 PolarHBondContact NE-OD2 2.9Å; R230-D235 IonicContact NH2-OD2 3Å; R230-D235 PolarHBondContact NH2-OD2 3.47Å |
| 236 | C | 97.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 68.6 Ų | 68.6 | 14% | 0.142 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.5 | 172.6 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | C221 C238 K245 C247 | C221-C236 WeakPolarHBondContact CA-SG 3.45Å; C221-C236 HydrophobicContact CB-CB 3.8Å; C221-C236 WeakPolarHBondContact CB-SG 3.01Å; C221-C236 WeakPolarHBondContact SG-CA 3.37Å; C221-C236 WeakPolarHBondContact SG-CB 3.35Å; C221-C236 CovalentContact SG-SG 2.02Å; C221-C236 PolarHBondContact SG-SG 3.21Å; C236-C238 PolarHBondContact O-N 2.88Å; C236-K245 WeakPolarHBondContact CB-O 3.35Å; C236-K245 PolarHBondContact SG-O 3.34Å; C236-C247 VanDerWaalsContact CB-SG 3.53Å |
| 237 | L | 96.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 59.5 Ų | 59.5 | 48% | 0.482 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 91.7 | 173 | -62 | 174.1 | 0 | 0 | 0 | 109.4 | A225 R226 | A225-L237 WeakPolarHBondContact CB-O 3.31Å; R226-L237 HydrophobicContact CB-CB 4.34Å; R226-L237 HydrophobicContact CB-CD1 4.28Å; R226-L237 HydrophobicContact CG-CD1 4.33Å; R226-L237 PolarHBondContact O-N 3.33Å |
| 238 | C | 95.1 | Very high | 94.7 | Very high | 43 Ų | 43 | 61.3 Ų | 61.3 | 29% | 0.291 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 139.1 | -174.6 | -56.2 | 0 | 0 | 0 | 0 | 112.9 | C236 Y242 C247 | C236-C238 PolarHBondContact O-N 2.88Å; C238-Y242 WeakPolarHBondContact CB-O 3.26Å; C238-C247 WeakPolarHBondContact CA-SG 3.18Å; C238-C247 HydrophobicContact CB-CB 3.82Å; C238-C247 WeakPolarHBondContact CB-SG 3.27Å; C238-C247 WeakPolarHBondContact SG-CA 3.18Å; C238-C247 WeakPolarHBondContact SG-CB 3.31Å; C238-C247 CovalentContact SG-SG 2.04Å; C238-C247 PolarHBondContact SG-SG 3.27Å |
| 239 | P | 92.4 | Very high | 94.5 | Very high | 53 Ų | 53 | 60.4 Ų | 60.4 | 34% | 0.344 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 158.5 | 169.1 | -17 | 28.9 | 0 | 0 | 0 | 111.8 | G241 Y242 | P239-G241 PolarHBondContact O-N 2.77Å; P239-Y242 HydrophobicContact CB-CD2 4.13Å; P239-Y242 PolarHBondContact O-N 3.11Å; P239-Y242 VanDerWaalsContact O-N 3.08Å |
| 240 | S | 91 | Very high | 94.3 | Very high | 125 Ų | 125 | 62.4 Ų | 62.4 | 87% | 0.874 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 133.9 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 112 | ||
| 241 | G | 89.5 | Confident | 94 | Very high | 28 Ų | 28 | 61 Ų | 61 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 7.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | P239 V250 L251 | P239-G241 PolarHBondContact O-N 2.77Å; G241-V250 CarbonylContact O-C 3.56Å; G241-L251 PolarHBondContact O-N 2.99Å |
| 242 | Y | 93 | Very high | 93.4 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 31% | 0.306 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 152.5 | 175.1 | -59.1 | -82.8 | 0 | 0 | 0 | 112.5 | R223 C238 P239 L249 V250 L251 | R223-Y242 VanDerWaalsContact CZ-CE1 3.44Å; R223-Y242 VanDerWaalsContact NE-CD1 3.32Å; R223-Y242 VanDerWaalsContact NE-CE1 3.3Å; C238-Y242 WeakPolarHBondContact CB-O 3.26Å; P239-Y242 HydrophobicContact CB-CD2 4.13Å; P239-Y242 PolarHBondContact O-N 3.11Å; P239-Y242 VanDerWaalsContact O-N 3.08Å; Y242-L249 CarbonylContact C-O 3.59Å; Y242-L249 WeakPolarHBondContact CA-O 3.47Å; Y242-V250 HydrophobicContact CD1-CG2 4.18Å; Y242-V250 HydrophobicContact CE1-CG2 3.88Å; Y242-L251 WeakPolarHBondContact O-CD1 3.29Å |
| 243 | G | 91.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 63.2 Ų | 63.2 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | -174.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | C247 E248 L249 | G243-C247 CarbonylContact O-C 3.38Å; G243-C247 VanDerWaalsContact O-CA 3.28Å; G243-C247 WeakPolarHBondContact O-CA 3.5Å; G243-E248 PolarHBondContact O-N 3.2Å; G243-L249 PolarHBondContact N-O 3.48Å; G243-L249 VanDerWaalsContact O-CB 3.29Å; G243-L249 WeakPolarHBondContact O-CB 3.35Å; G243-L249 PolarHBondContact O-N 3.1Å |
| 244 | G | 93.3 | Very high | 91.1 | Very high | 38 Ų | 38 | 65.7 Ų | 65.7 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 97.5 | 173.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T246 | G244-T246 VanDerWaalsContact C-N 3.29Å; G244-T246 PolarHBondContact O-N 2.81Å |
| 245 | K | 94.7 | Very high | 89.3 | Confident | 90 Ų | 90 | 71.8 Ų | 71.8 | 39% | 0.391 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -68.1 | -32.3 | -176.7 | -178 | 62.2 | 169.7 | -177.3 | 0 | 111.5 | D233 F234 C236 | D233-K245 WeakPolarHBondContact OD1-CE 3.42Å; D233-K245 IonicContact OD1-NZ 3.38Å; D233-K245 PolarHBondContact OD1-NZ 3.5Å; D233-K245 IonicContact OD2-NZ 2.75Å; D233-K245 PolarHBondContact OD2-NZ 3.28Å; F234-K245 HydrophobicContact CE2-CD 4.48Å; F234-K245 HydrophobicContact CE2-CG 4.17Å; F234-K245 HydrophobicContact CZ-CG 4.1Å; F234-K245 WeakPolarHBondContact O-CE 3.27Å; F234-K245 PolarHBondContact O-NZ 2.88Å; C236-K245 WeakPolarHBondContact CB-O 3.35Å; C236-K245 PolarHBondContact SG-O 3.34Å |
| 246 | T | 96.4 | Very high | 87.5 | Confident | 31 Ų | 31 | 75.1 Ų | 75.1 | 19% | 0.19 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -114.3 | 11.5 | -179.3 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | P220 Q222 F234 G244 E248 | P220-T246 VanDerWaalsContact O-CB 3.24Å; P220-T246 WeakPolarHBondContact O-CB 3.13Å; P220-T246 VanDerWaalsContact O-CG2 3.31Å; P220-T246 WeakPolarHBondContact O-CG2 3.3Å; Q222-T246 WeakPolarHBondContact CB-O 2.98Å; Q222-T246 PolarHBondContact N-O 2.92Å; F234-T246 HydrophobicContact CE2-CG2 3.97Å; F234-T246 HydrophobicContact CZ-CG2 3.87Å; G244-T246 VanDerWaalsContact C-N 3.29Å; G244-T246 PolarHBondContact O-N 2.81Å; T246-E248 VanDerWaalsContact C-N 3.27Å; T246-E248 WeakPolarHBondContact CA-OE2 3.06Å; T246-E248 WeakPolarHBondContact CB-OE2 3.34Å; T246-E248 PolarHBondContact N-OE2 3.33Å; T246-E248 PolarHBondContact O-N 2.84Å; T246-E248 VanDerWaalsContact OG1-CD 3.3Å; T246-E248 PolarHBondContact OG1-OE2 3.15Å |
| 247 | C | 95.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 47% | 0.474 | C | S | . | . | S | Bend | trans | 62.6 | 29.7 | -174.3 | -47 | 0 | 0 | 0 | 0 | 114.4 | R223 A225 C236 C238 G243 | R223-C247 WeakPolarHBondContact CD-O 3Å; R223-C247 PolarHBondContact NE-O 2.91Å; A225-C247 HydrophobicContact CB-CB 4.21Å; A225-C247 VanDerWaalsContact CB-SG 3.51Å; C236-C247 VanDerWaalsContact CB-SG 3.53Å; C238-C247 WeakPolarHBondContact CA-SG 3.18Å; C238-C247 HydrophobicContact CB-CB 3.82Å; C238-C247 WeakPolarHBondContact CB-SG 3.27Å; C238-C247 WeakPolarHBondContact SG-CA 3.18Å; C238-C247 WeakPolarHBondContact SG-CB 3.31Å; C238-C247 CovalentContact SG-SG 2.04Å; C238-C247 PolarHBondContact SG-SG 3.27Å; G243-C247 CarbonylContact O-C 3.38Å; G243-C247 VanDerWaalsContact O-CA 3.28Å; G243-C247 WeakPolarHBondContact O-CA 3.5Å |
| 248 | E | 94.9 | Very high | 82.8 | Confident | 72 Ų | 72 | 81.6 Ų | 81.6 | 34% | 0.336 | 49% | 0.49 | S | S | . | . | trans | -74.7 | -31.6 | -179.5 | 67.5 | -78 | -173.8 | 0 | 0 | 112.6 | R223 G243 T246 | R223-E248 PolarHBondContact NH2-O 3.47Å; G243-E248 PolarHBondContact O-N 3.2Å; T246-E248 VanDerWaalsContact C-N 3.27Å; T246-E248 WeakPolarHBondContact CA-OE2 3.06Å; T246-E248 WeakPolarHBondContact CB-OE2 3.34Å; T246-E248 PolarHBondContact N-OE2 3.33Å; T246-E248 PolarHBondContact O-N 2.84Å; T246-E248 VanDerWaalsContact OG1-CD 3.3Å; T246-E248 PolarHBondContact OG1-OE2 3.15Å | ||
| 249 | L | 93.4 | Very high | 80.5 | Confident | 95 Ų | 95 | 86.1 Ų | 86.1 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 136 | -175.4 | -54 | 174.3 | 0 | 0 | 0 | 110.7 | Y242 G243 | Y242-L249 CarbonylContact C-O 3.59Å; Y242-L249 WeakPolarHBondContact CA-O 3.47Å; G243-L249 PolarHBondContact N-O 3.48Å; G243-L249 VanDerWaalsContact O-CB 3.29Å; G243-L249 WeakPolarHBondContact O-CB 3.35Å; G243-L249 PolarHBondContact O-N 3.1Å |
| 250 | V | 91.3 | Very high | 78.4 | Confident | 101 Ų | 101 | 90.1 Ų | 90.1 | 61% | 0.612 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 116.8 | 166.3 | -174.3 | 0 | 0 | 0 | 0 | 107.4 | G241 Y242 | G241-V250 CarbonylContact O-C 3.56Å; Y242-V250 HydrophobicContact CD1-CG2 4.18Å; Y242-V250 HydrophobicContact CE1-CG2 3.88Å |
| 251 | L | 88.6 | Confident | 76.2 | Confident | 82 Ų | 82 | 91 Ų | 91 | 43% | 0.429 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 134.5 | 175.2 | -62 | 177.6 | 0 | 0 | 0 | 109.1 | G241 Y242 V253 | G241-L251 PolarHBondContact O-N 2.99Å; Y242-L251 WeakPolarHBondContact O-CD1 3.29Å; L251-V253 PolarHBondContact O-N 3.22Å |
| 252 | P | 83.5 | Confident | 74 | Confident | 116 Ų | 116 | 95.9 Ų | 95.9 | 75% | 0.753 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 125.4 | 174.5 | 22.7 | -29.3 | 0 | 0 | 0 | 109.1 | P254 | P252-P254 WeakPolarHBondContact O-CD 3.16Š|
| 253 | V | 73.7 | Confident | 72.1 | Confident | 109 Ų | 109 | 97.7 Ų | 97.7 | 66% | 0.661 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 122.5 | 172.5 | -176.5 | 0 | 0 | 0 | 0 | 107 | L251 H255 | L251-V253 PolarHBondContact O-N 3.22Å; V253-H255 PolarHBondContact O-N 3.12Å |
| 254 | P | 67.4 | Low | 70.1 | Confident | 118 Ų | 118 | 105.8 Ų | 105.8 | 77% | 0.766 | 62% | 0.62 | S | S | * | * | trans | -62.6 | 110.6 | 167.9 | -13 | 26.9 | 0 | 0 | 0 | 106.5 | P252 | P252-P254 WeakPolarHBondContact O-CD 3.16Š| ||
| 255 | H | 58.7 | Low | 67.4 | Low | 165 Ų | 165 | 107.3 Ų | 107.3 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 135.9 | 165.8 | -66.8 | 82.4 | 0 | 0 | 0 | 106.9 | V253 | V253-H255 PolarHBondContact O-N 3.12Š|
| 256 | P | 59.6 | Low | 65.3 | Low | 110 Ų | 110 | 109 Ų | 109 | 71% | 0.714 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 133.5 | 175.3 | 23 | -30.9 | 0 | 0 | 0 | 108.3 | T258 | P256-T258 PolarHBondContact O-N 3.13Š|
| 257 | P | 52.3 | Low | 63.3 | Low | 118 Ų | 118 | 113.9 Ų | 113.9 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 116.8 | 174.1 | 24.3 | -30.7 | 0 | 0 | 0 | 107.5 | T259 | P257-T259 PolarHBondContact O-N 2.95Å; P257-T259 VanDerWaalsContact O-N 3.1Å |
| 258 | T | 43.5 | Very low | 60.9 | Low | 131 Ų | 131 | 119.4 Ų | 119.4 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | trans | -59.7 | 114.3 | 166.4 | 40.7 | 0 | 0 | 0 | 0 | 107.6 | P256 V260 | P256-T258 PolarHBondContact O-N 3.13Å; T258-V260 PolarHBondContact O-N 2.03Å; T258-V260 VanDerWaalsContact O-N 3.13Å | ||
| 259 | T | 45.8 | Very low | 58.7 | Low | 138 Ų | 138 | 120.8 Ų | 120.8 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | trans | -64.1 | 105.7 | 172.5 | 47.7 | 0 | 0 | 0 | 0 | 109 | P257 | P257-T259 PolarHBondContact O-N 2.95Å; P257-T259 VanDerWaalsContact O-N 3.1Å | ||
| 260 | V | 48.1 | Very low | 56.2 | Low | 138 Ų | 138 | 122.1 Ų | 122.1 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -101.4 | 129.4 | 153.6 | 176.2 | 0 | 0 | 0 | 0 | 106.5 | T258 | T258-V260 PolarHBondContact O-N 2.03Å; T258-V260 VanDerWaalsContact O-N 3.13Å | ||
| 261 | D | 46.4 | Very low | 54.3 | Low | 142 Ų | 142 | 123.7 Ų | 123.7 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -55.5 | 165.7 | -174.2 | -80.7 | -53.8 | 0 | 0 | 0 | 115.5 | ||||
| 262 | T | 41.9 | Very low | 52.1 | Low | 131 Ų | 131 | 125.4 Ų | 125.4 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 90.4 | 145.3 | 154.1 | 13.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 263 | P | 52.8 | Low | 50.1 | Low | 116 Ų | 116 | 124.8 Ų | 124.8 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | -129.1 | 176.5 | -64.5 | 37.6 | -22.1 | 0 | 0 | 0 | 113.5 | |||||
| 264 | L | 49.5 | Very low | 48.4 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | trans | -49 | 141.6 | 179.5 | -83.7 | 78.6 | 0 | 0 | 0 | 117 | ||||
| 265 | G | 37.6 | Very low | 47 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 139.2 | 156 | 133.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 266 | P | 50.7 | Low | 46 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | cis | -119.8 | 166.7 | -31.1 | 34.1 | -17.8 | 0 | 0 | 0 | 112.6 | ||||
| 267 | T | 53.6 | Low | 45 | Very low | 134 Ų | 134 | 121.6 Ų | 121.6 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -44.7 | 137 | 173.8 | 49.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 268 | S | 44.9 | Very low | 44.4 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -142.6 | 112.4 | 146.7 | -83.1 | 0 | 0 | 0 | 0 | 109.4 | V270 | S268-V270 PolarHBondContact O-N 3.26Š| ||
| 269 | A | 49.9 | Very low | 44.2 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -68.2 | 121 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 270 | V | 41.2 | Very low | 43.7 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | -113.9 | 107.6 | 165.2 | -178.5 | 0 | 0 | 0 | 0 | 107 | S268 V272 | S268-V270 PolarHBondContact O-N 3.26Å; V270-V272 HydrophobicContact CG1-CG2 3.9Å | ||
| 271 | V | 49.7 | Very low | 43 | Very low | 134 Ų | 134 | 120.7 Ų | 120.7 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -72.4 | 124.5 | 165.9 | 174.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 272 | V | 42.5 | Very low | 42.3 | Very low | 119 Ų | 119 | 119 Ų | 119 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -123.6 | 134.1 | 166 | -177 | 0 | 0 | 0 | 0 | 108.7 | V270 | V270-V272 HydrophobicContact CG1-CG2 3.9Š| ||
| 273 | P | 42.4 | Very low | 41.9 | Very low | 102 Ų | 102 | 116.6 Ų | 116.6 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | trans | -81.9 | 146.8 | -171.9 | 0.9 | 18.2 | 0 | 0 | 0 | 112 | T275 | P273-T275 PolarHBondContact O-N 3.37Š| ||
| 274 | A | 37.5 | Very low | 41.1 | Very low | 107 Ų | 107 | 116 Ų | 116 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | -73.8 | 100.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 275 | T | 38 | Very low | 40.8 | Very low | 129 Ų | 129 | 111.1 Ų | 111.1 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -98.5 | 95.5 | 161.9 | 47.8 | 0 | 0 | 0 | 0 | 108.8 | P273 | P273-T275 PolarHBondContact O-N 3.37Š| ||
| 276 | G | 38.6 | Very low | 41.2 | Very low | 71 Ų | 71 | 115.7 Ų | 115.7 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 134.5 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 277 | P | 38 | Very low | 40.9 | Very low | 128 Ų | 128 | 117.6 Ų | 117.6 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 122.7 | 167.2 | 22 | -13.2 | 0 | 0 | 0 | 110.5 | ||
| 278 | A | 40.8 | Very low | 40.3 | Very low | 78 Ų | 78 | 122.9 Ų | 122.9 | 65% | 0.645 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 144.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 279 | P | 37.8 | Very low | 40.6 | Very low | 126 Ų | 126 | 123.5 Ų | 123.5 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -93.3 | 115.8 | 155.1 | 15.5 | 1.1 | 0 | 0 | 0 | 109.9 | ||||
| 280 | H | 35.1 | Very low | 40.1 | Very low | 181 Ų | 181 | 122.5 Ų | 122.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -73.3 | 133.8 | 156.5 | -74.7 | -100.4 | 0 | 0 | 0 | 109.3 | ||||
| 281 | S | 33.3 | Very low | 40.5 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | -168.8 | 112.7 | 110.2 | 66.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 282 | A | 32.6 | Very low | 40.3 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | -96.9 | 111.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 283 | G | 34 | Very low | 40.4 | Very low | 81 Ų | 81 | 124.9 Ų | 124.9 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -114.5 | 93.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 284 | A | 35 | Very low | 40.5 | Very low | 103 Ų | 103 | 124.6 Ų | 124.6 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -135.2 | 95.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 285 | G | 43.7 | Very low | 40.8 | Very low | 77 Ų | 77 | 125.6 Ų | 125.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | trans | -127.3 | 69.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 286 | L | 46.6 | Very low | 41 | Very low | 168 Ų | 168 | 129.8 Ų | 129.8 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -144.2 | 127.6 | 164.3 | -107.5 | 127.3 | 0 | 0 | 0 | 108.4 | R288 | L286-R288 PolarHBondContact O-N 3.45Š|
| 287 | L | 44.3 | Very low | 41.4 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | -46.3 | 118.4 | -171.3 | -89.3 | 78.8 | 0 | 0 | 0 | 112.3 | I289 | L287-I289 PolarHBondContact O-N 3Š| ||
| 288 | R | 41.2 | Very low | 41.5 | Very low | 245 Ų | 245 | 139.5 Ų | 139.5 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | -77.5 | 101.3 | 162.9 | -76.3 | -177.4 | 171.9 | 169.7 | -1.9 | 108.8 | L286 S290 | L286-R288 PolarHBondContact O-N 3.45Å; R288-S290 PolarHBondContact O-N 3.33Å | ||
| 289 | I | 49.5 | Very low | 41.9 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | trans | -84.1 | 107.1 | 159.1 | -59.2 | 175 | 0 | 0 | 0 | 106.4 | L287 V294 | L287-I289 PolarHBondContact O-N 3Å; I289-V294 HydrophobicContact CG2-CG2 4.25Å | ||
| 290 | S | 39.8 | Very low | 42.2 | Very low | 80 Ų | 80 | 144.3 Ų | 144.3 | 56% | 0.559 | 79% | 0.794 | S | S | * | * | trans | -74.5 | 130 | 175 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | R288 K292 E293 | R288-S290 PolarHBondContact O-N 3.33Å; S290-K292 PolarHBondContact O-N 3.49Å; S290-E293 PolarHBondContact O-N 3.48Å | ||
| 291 | V | 50.6 | Low | 42.8 | Very low | 115 Ų | 115 | 139 Ų | 139 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -5.4 | 179.1 | 177 | 0 | 0 | 0 | 0 | 113 | E293 | V291-E293 VanDerWaalsContact C-N 3.27Å; V291-E293 PolarHBondContact O-N 3.46Å |
| 292 | K | 44.6 | Very low | 43.5 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -10.9 | 167.3 | -106 | 179.7 | 176.1 | 179.1 | 0 | 114.6 | S290 | S290-K292 PolarHBondContact O-N 3.49Š|
| 293 | E | 45.1 | Very low | 44.5 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 59% | 0.593 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -10.7 | 178.3 | -156.2 | 62.3 | -151.4 | 0 | 0 | 113.3 | S290 V291 | S290-E293 PolarHBondContact O-N 3.48Å; V291-E293 VanDerWaalsContact C-N 3.27Å; V291-E293 PolarHBondContact O-N 3.46Å |
| 294 | V | 44.2 | Very low | 45.8 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 58% | 0.582 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -17.3 | 179.9 | -178 | 0 | 0 | 0 | 0 | 112.7 | I289 | I289-V294 HydrophobicContact CG2-CG2 4.25Š|
| 295 | V | 44.3 | Very low | 46.8 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 7.1 | 173.2 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 296 | R | 42.4 | Very low | 47.6 | Very low | 217 Ų | 217 | 139.9 Ų | 139.9 | 82% | 0.819 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113 | 22.5 | 172.4 | -87.9 | -110 | -163.2 | 168.1 | 4.3 | 113.1 | ||
| 297 | R | 45.8 | Very low | 48.5 | Very low | 214 Ų | 214 | 138 Ų | 138 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -138.1 | 35.8 | 175.8 | -78.9 | -160.9 | -178.6 | -140.2 | 3.2 | 114.7 | ||
| 298 | Q | 41.9 | Very low | 49.8 | Very low | 189 Ų | 189 | 134.5 Ų | 134.5 | 88% | 0.883 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -131.4 | 11.6 | 166.5 | -91.8 | -100 | -54.7 | 0 | 0 | 113.5 | ||
| 299 | E | 47.3 | Very low | 51.2 | Low | 201 Ų | 201 | 124.8 Ų | 124.8 | 94% | 0.939 | 68% | 0.679 | S | S | * | * | trans | -114.4 | 66.6 | 168.1 | -72.3 | -171.4 | 155.7 | 0 | 0 | 110.1 | ||||
| 300 | A | 44.5 | Very low | 52.5 | Low | 104 Ų | 104 | 124 Ų | 124 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -151.1 | 84.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||
| 301 | G | 48.8 | Very low | 54.5 | Low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | trans | 166.2 | 15.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 302 | L | 48.1 | Very low | 56 | Low | 134 Ų | 134 | 123 Ų | 123 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | trans | -114.2 | 93.2 | 153.8 | -87.7 | 89 | 0 | 0 | 0 | 107 | ||||
| 303 | G | 53.1 | Low | 57.7 | Low | 45 Ų | 45 | 121 Ų | 121 | 46% | 0.464 | 66% | 0.657 | S | S | . | * | trans | -54.5 | 149.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P305 S306 | G303-P305 VanDerWaalsContact O-CD 3.29Å; G303-P305 WeakPolarHBondContact O-CD 3.05Å; G303-S306 WeakPolarHBondContact O-CB 3.1Å; G303-S306 PolarHBondContact O-N 3.39Å | ||
| 304 | E | 60.5 | Low | 59.6 | Low | 177 Ų | 177 | 116.6 Ų | 116.6 | 83% | 0.827 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -41.8 | -28.1 | 173.3 | -72.3 | -174.5 | 111.6 | 0 | 0 | 116.3 | S306 | E304-S306 VanDerWaalsContact C-N 3.25Å; E304-S306 PolarHBondContact O-N 3.29Å |
| 305 | P | 57.3 | Low | 61.6 | Low | 105 Ų | 105 | 115 Ų | 115 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.6 | -22.8 | 170.9 | 22.7 | -36.6 | 0 | 0 | 0 | 115.4 | G303 A309 | G303-P305 VanDerWaalsContact O-CD 3.29Å; G303-P305 WeakPolarHBondContact O-CD 3.05Å; P305-A309 WeakPolarHBondContact O-CB 2.99Å; P305-A309 PolarHBondContact O-N 2.88Å |
| 306 | S | 60.2 | Low | 63.7 | Low | 47 Ų | 47 | 113.9 Ų | 113.9 | 33% | 0.329 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -83 | -29.3 | -173.3 | -155 | 0 | 0 | 0 | 0 | 113.3 | G303 E304 L310 | G303-S306 WeakPolarHBondContact O-CB 3.1Å; G303-S306 PolarHBondContact O-N 3.39Å; E304-S306 VanDerWaalsContact C-N 3.25Å; E304-S306 PolarHBondContact O-N 3.29Å; S306-L310 WeakPolarHBondContact O-CG 3.48Å; S306-L310 PolarHBondContact O-N 3.2Å; S306-L310 VanDerWaalsContact O-N 3.13Å |
| 307 | L | 64.6 | Low | 65.8 | Low | 128 Ų | 128 | 107.7 Ų | 107.7 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.1 | -41.9 | 173.3 | -162.6 | 90.8 | 0 | 0 | 0 | 110.4 | A309 L310 V311 | L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 2.03Å; L307-L310 PolarHBondContact O-N 3.17Å; L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 2.97Å |
| 308 | V | 71.5 | Confident | 67.8 | Low | 91 Ų | 91 | 100.4 Ų | 100.4 | 55% | 0.552 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.9 | -42.2 | 174.7 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | V311 V312 | V308-V311 PolarHBondContact O-N 2.8Å; V308-V312 HydrophobicContact CG1-CG2 4.16Å; V308-V312 WeakPolarHBondContact O-CB 3.46Å; V308-V312 WeakPolarHBondContact O-CG2 3.48Å; V308-V312 PolarHBondContact O-N 2.79Å |
| 309 | A | 71.8 | Confident | 70.2 | Confident | 41 Ų | 41 | 94.2 Ų | 94.2 | 34% | 0.339 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.6 | -47.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P305 L307 V311 V312 F313 | P305-A309 WeakPolarHBondContact O-CB 2.99Å; P305-A309 PolarHBondContact O-N 2.88Å; L307-A309 VanDerWaalsContact C-N 3.32Å; L307-A309 PolarHBondContact O-N 2.03Å; A309-V311 PolarHBondContact O-N 2.76Å; A309-V312 PolarHBondContact O-N 3.28Å; A309-F313 HydrophobicContact CB-CD2 4.49Å; A309-F313 WeakPolarHBondContact O-CB 3.4Å; A309-F313 WeakPolarHBondContact O-CD2 3.05Å; A309-F313 PolarHBondContact O-N 3.29Å |
| 310 | L | 76.7 | Confident | 72.3 | Confident | 113 Ų | 113 | 90.6 Ų | 90.6 | 59% | 0.592 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.2 | -39.6 | 178.8 | -73 | 169.2 | 0 | 0 | 0 | 112.8 | S306 L307 G314 | S306-L310 WeakPolarHBondContact O-CG 3.48Å; S306-L310 PolarHBondContact O-N 3.2Å; S306-L310 VanDerWaalsContact O-N 3.13Å; L307-L310 PolarHBondContact O-N 3.17Å; L310-G314 PolarHBondContact O-N 3.49Å |
| 311 | V | 81.2 | Confident | 74.5 | Confident | 99 Ų | 99 | 90 Ų | 90 | 60% | 0.6 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.2 | -40.7 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 111 | L307 V308 A309 G314 A315 | L307-V311 WeakPolarHBondContact O-CG2 3.27Å; L307-V311 PolarHBondContact O-N 2.97Å; V308-V311 PolarHBondContact O-N 2.8Å; A309-V311 PolarHBondContact O-N 2.76Å; V311-G314 PolarHBondContact O-N 3.33Å; V311-A315 WeakPolarHBondContact O-CB 3.45Å; V311-A315 PolarHBondContact O-N 3.17Å |
| 312 | V | 82.4 | Confident | 76.5 | Confident | 74 Ų | 74 | 91.8 Ų | 91.8 | 45% | 0.448 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 177.1 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | V308 A309 G314 A315 L316 | V308-V312 HydrophobicContact CG1-CG2 4.16Å; V308-V312 WeakPolarHBondContact O-CB 3.46Å; V308-V312 WeakPolarHBondContact O-CG2 3.48Å; V308-V312 PolarHBondContact O-N 2.79Å; A309-V312 PolarHBondContact O-N 3.28Å; V312-G314 VanDerWaalsContact C-N 3.35Å; V312-A315 PolarHBondContact O-N 2.97Å; V312-L316 HydrophobicContact CG1-CD1 3.9Å; V312-L316 HydrophobicContact CG1-CG 4.43Å; V312-L316 WeakPolarHBondContact O-CB 3.1Å; V312-L316 VanDerWaalsContact O-CG 3.27Å; V312-L316 WeakPolarHBondContact O-CG 2.99Å; V312-L316 PolarHBondContact O-N 3.13Å |
| 313 | F | 79.2 | Confident | 78.5 | Confident | 140 Ų | 140 | 87.6 Ų | 87.6 | 61% | 0.614 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -38.3 | 174.3 | -87.3 | -74.6 | 0 | 0 | 0 | 111.9 | A309 L316 T317 | A309-F313 HydrophobicContact CB-CD2 4.49Å; A309-F313 WeakPolarHBondContact O-CB 3.4Å; A309-F313 WeakPolarHBondContact O-CD2 3.05Å; A309-F313 PolarHBondContact O-N 3.29Å; F313-L316 PolarHBondContact O-N 3.34Å; F313-T317 WeakPolarHBondContact O-CB 3.44Å; F313-T317 VanDerWaalsContact O-CG2 3.3Å; F313-T317 WeakPolarHBondContact O-CG2 3.43Å; F313-T317 PolarHBondContact O-N 3.49Å; F313-T317 PolarHBondContact O-OG1 2.85Å |
| 314 | G | 85.4 | Confident | 80 | Confident | 36 Ų | 36 | 88.9 Ų | 88.9 | 37% | 0.371 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.4 | -43.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | L310 V311 V312 T317 A318 | L310-G314 PolarHBondContact O-N 3.49Å; V311-G314 PolarHBondContact O-N 3.33Å; V312-G314 VanDerWaalsContact C-N 3.35Å; G314-T317 WeakPolarHBondContact CA-OG1 3.36Å; G314-T317 PolarHBondContact O-OG1 2.99Å; G314-A318 WeakPolarHBondContact O-CB 3.29Å; G314-A318 PolarHBondContact O-N 3.33Å |
| 315 | A | 86.1 | Confident | 81.2 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 50% | 0.504 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | V311 V312 A318 A319 | V311-A315 WeakPolarHBondContact O-CB 3.45Å; V311-A315 PolarHBondContact O-N 3.17Å; V312-A315 PolarHBondContact O-N 2.97Å; A315-A318 PolarHBondContact O-N 2.03Å; A315-A319 WeakPolarHBondContact O-CB 3.34Å; A315-A319 PolarHBondContact O-N 3.27Å |
| 316 | L | 88.2 | Confident | 82.6 | Confident | 106 Ų | 106 | 82.4 Ų | 82.4 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.2 | -41.9 | 176.8 | -75.6 | 169.2 | 0 | 0 | 0 | 112.1 | V312 F313 A319 L320 | V312-L316 HydrophobicContact CG1-CD1 3.9Å; V312-L316 HydrophobicContact CG1-CG 4.43Å; V312-L316 WeakPolarHBondContact O-CB 3.1Å; V312-L316 VanDerWaalsContact O-CG 3.27Å; V312-L316 WeakPolarHBondContact O-CG 2.99Å; V312-L316 PolarHBondContact O-N 3.13Å; F313-L316 PolarHBondContact O-N 3.34Å; L316-A319 PolarHBondContact O-N 3.11Å; L316-L320 WeakPolarHBondContact O-CB 3.49Å; L316-L320 PolarHBondContact O-N 3.33Å |
| 317 | T | 86.4 | Confident | 83.7 | Confident | 87 Ų | 87 | 85.5 Ų | 85.5 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 176.6 | 51 | 0 | 0 | 0 | 0 | 111.4 | F313 G314 A319 L320 V321 | F313-T317 WeakPolarHBondContact O-CB 3.44Å; F313-T317 VanDerWaalsContact O-CG2 3.3Å; F313-T317 WeakPolarHBondContact O-CG2 3.43Å; F313-T317 PolarHBondContact O-N 3.49Å; F313-T317 PolarHBondContact O-OG1 2.85Å; G314-T317 WeakPolarHBondContact CA-OG1 3.36Å; G314-T317 PolarHBondContact O-OG1 2.99Å; T317-A319 PolarHBondContact O-N 3.07Å; T317-L320 PolarHBondContact O-N 2.79Å; T317-V321 WeakPolarHBondContact O-CG2 3.38Å; T317-V321 PolarHBondContact O-N 2.77Å |
| 318 | A | 89.3 | Confident | 84.1 | Confident | 61 Ų | 61 | 83.7 Ų | 83.7 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G314 A315 V321 L322 | G314-A318 WeakPolarHBondContact O-CB 3.29Å; G314-A318 PolarHBondContact O-N 3.33Å; A315-A318 PolarHBondContact O-N 2.03Å; A318-V321 PolarHBondContact O-N 2.05Å; A318-L322 WeakPolarHBondContact O-CB 3.22Å; A318-L322 PolarHBondContact O-N 2.87Å |
| 319 | A | 91.4 | Very high | 84.2 | Confident | 59 Ų | 59 | 83.6 Ų | 83.6 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.3 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A315 L316 T317 L322 A323 | A315-A319 WeakPolarHBondContact O-CB 3.34Å; A315-A319 PolarHBondContact O-N 3.27Å; L316-A319 PolarHBondContact O-N 3.11Å; T317-A319 PolarHBondContact O-N 3.07Å; A319-L322 PolarHBondContact O-N 3.01Å; A319-A323 WeakPolarHBondContact O-CB 3.21Å; A319-A323 PolarHBondContact O-N 3.43Å |
| 320 | L | 92 | Very high | 84.5 | Confident | 125 Ų | 125 | 89 Ų | 89 | 65% | 0.654 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.8 | -43.4 | 177.4 | -154.5 | 83.3 | 0 | 0 | 0 | 111.4 | L316 T317 A323 T324 | L316-L320 WeakPolarHBondContact O-CB 3.49Å; L316-L320 PolarHBondContact O-N 3.33Å; T317-L320 PolarHBondContact O-N 2.79Å; L320-A323 PolarHBondContact O-N 3.48Å; L320-T324 WeakPolarHBondContact O-CG2 3.36Å; L320-T324 PolarHBondContact O-N 2.94Å; L320-T324 PolarHBondContact O-OG1 3.14Å |
| 321 | V | 90.1 | Very high | 84 | Confident | 90 Ų | 90 | 85.9 Ų | 85.9 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.3 | 174 | 0 | 0 | 0 | 0 | 111.1 | T317 A318 A323 T324 V325 | T317-V321 WeakPolarHBondContact O-CG2 3.38Å; T317-V321 PolarHBondContact O-N 2.77Å; A318-V321 PolarHBondContact O-N 2.05Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 2.81Å; V321-T324 WeakPolarHBondContact CA-OG1 3.37Å; V321-T324 PolarHBondContact O-N 3.05Å; V321-T324 PolarHBondContact O-OG1 3.38Å; V321-V325 HydrophobicContact CG1-CG2 4.49Å; V321-V325 WeakPolarHBondContact O-CB 3.32Å; V321-V325 VanDerWaalsContact O-CG2 3.26Å; V321-V325 WeakPolarHBondContact O-CG2 3.08Å; V321-V325 PolarHBondContact O-N 3.09Å |
| 322 | L | 91.3 | Very high | 83.1 | Confident | 108 Ų | 108 | 91 Ų | 91 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -39.6 | 176.2 | -171.8 | 65.5 | 0 | 0 | 0 | 111.4 | A318 A319 V325 L326 | A318-L322 WeakPolarHBondContact O-CB 3.22Å; A318-L322 PolarHBondContact O-N 2.87Å; A319-L322 PolarHBondContact O-N 3.01Å; L322-V325 PolarHBondContact O-N 2.02Å; L322-L326 HydrophobicContact CG-CD1 4.11Å; L322-L326 WeakPolarHBondContact O-CB 3.01Å; L322-L326 VanDerWaalsContact O-CG 3.23Å; L322-L326 WeakPolarHBondContact O-CG 3.16Å; L322-L326 PolarHBondContact O-N 2.91Å |
| 323 | A | 90.9 | Very high | 82.3 | Confident | 46 Ų | 46 | 98.1 Ų | 98.1 | 38% | 0.38 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A319 L320 V321 L326 L327 | A319-A323 WeakPolarHBondContact O-CB 3.21Å; A319-A323 PolarHBondContact O-N 3.43Å; L320-A323 PolarHBondContact O-N 3.48Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 2.81Å; A323-L326 PolarHBondContact O-N 3.17Å; A323-L327 WeakPolarHBondContact O-CB 3.02Å; A323-L327 WeakPolarHBondContact O-CG 3.28Å; A323-L327 PolarHBondContact O-N 3.19Å |
| 324 | T | 84.1 | Confident | 81.5 | Confident | 72 Ų | 72 | 101 Ų | 101 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 177 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | L320 V321 L327 T328 | L320-T324 WeakPolarHBondContact O-CG2 3.36Å; L320-T324 PolarHBondContact O-N 2.94Å; L320-T324 PolarHBondContact O-OG1 3.14Å; V321-T324 WeakPolarHBondContact CA-OG1 3.37Å; V321-T324 PolarHBondContact O-N 3.05Å; V321-T324 PolarHBondContact O-OG1 3.38Å; T324-L327 PolarHBondContact O-N 2.68Å; T324-T328 WeakPolarHBondContact O-CG2 3.32Å; T324-T328 PolarHBondContact O-N 2.8Å; T324-T328 PolarHBondContact O-OG1 3.06Å |
| 325 | V | 85.9 | Confident | 80 | Confident | 67 Ų | 67 | 102.4 Ų | 102.4 | 41% | 0.406 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.7 | -41.5 | 175 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | V321 L322 L327 T328 L329 | V321-V325 HydrophobicContact CG1-CG2 4.49Å; V321-V325 WeakPolarHBondContact O-CB 3.32Å; V321-V325 VanDerWaalsContact O-CG2 3.26Å; V321-V325 WeakPolarHBondContact O-CG2 3.08Å; V321-V325 PolarHBondContact O-N 3.09Å; L322-V325 PolarHBondContact O-N 2.02Å; V325-L327 VanDerWaalsContact C-N 3.34Å; V325-L327 PolarHBondContact O-N 2.82Å; V325-T328 WeakPolarHBondContact CA-OG1 3.05Å; V325-T328 PolarHBondContact O-N 3.36Å; V325-T328 PolarHBondContact O-OG1 3.44Å; V325-L329 HydrophobicContact CG1-CD1 3.85Å; V325-L329 HydrophobicContact CG1-CG 4.39Å; V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.48Å; V325-L329 WeakPolarHBondContact O-CG 3.08Å; V325-L329 PolarHBondContact O-N 3.25Å |
| 326 | L | 86.8 | Confident | 78.3 | Confident | 80 Ų | 80 | 104.6 Ų | 104.6 | 42% | 0.419 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69 | -33.4 | 176.6 | -71.7 | 173 | 0 | 0 | 0 | 112.3 | L322 A323 R330 | L322-L326 HydrophobicContact CG-CD1 4.11Å; L322-L326 WeakPolarHBondContact O-CB 3.01Å; L322-L326 VanDerWaalsContact O-CG 3.23Å; L322-L326 WeakPolarHBondContact O-CG 3.16Å; L322-L326 PolarHBondContact O-N 2.91Å; A323-L326 PolarHBondContact O-N 3.17Å; L326-R330 VanDerWaalsContact O-CB 3.26Å; L326-R330 WeakPolarHBondContact O-CB 3.34Å; L326-R330 WeakPolarHBondContact O-CG 3.28Å; L326-R330 PolarHBondContact O-N 3.36Å |
| 327 | L | 82.1 | Confident | 76.2 | Confident | 112 Ų | 112 | 104.9 Ų | 104.9 | 59% | 0.586 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.8 | -41.1 | 175 | -73 | 170.9 | 0 | 0 | 0 | 111.8 | A323 T324 V325 R330 A331 | A323-L327 WeakPolarHBondContact O-CB 3.02Å; A323-L327 WeakPolarHBondContact O-CG 3.28Å; A323-L327 PolarHBondContact O-N 3.19Å; T324-L327 PolarHBondContact O-N 2.68Å; V325-L327 VanDerWaalsContact C-N 3.34Å; V325-L327 PolarHBondContact O-N 2.82Å; L327-R330 PolarHBondContact O-N 2.85Å; L327-A331 VanDerWaalsContact O-CB 3.31Å; L327-A331 WeakPolarHBondContact O-CB 3.44Å; L327-A331 PolarHBondContact O-N 2.79Å |
| 328 | T | 73.8 | Confident | 74.2 | Confident | 90 Ų | 90 | 106.3 Ų | 106.3 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66 | -41.2 | 174.2 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | T324 V325 R330 A331 W332 | T324-T328 WeakPolarHBondContact O-CG2 3.32Å; T324-T328 PolarHBondContact O-N 2.8Å; T324-T328 PolarHBondContact O-OG1 3.06Å; V325-T328 WeakPolarHBondContact CA-OG1 3.05Å; V325-T328 PolarHBondContact O-N 3.36Å; V325-T328 PolarHBondContact O-OG1 3.44Å; T328-R330 PolarHBondContact O-N 3.31Å; T328-A331 PolarHBondContact O-N 3.12Å; T328-W332 VanDerWaalsContact O-CB 3.27Å; T328-W332 WeakPolarHBondContact O-CB 3.38Å; T328-W332 PolarHBondContact O-N 3.39Å |
| 329 | L | 72.7 | Confident | 71.9 | Confident | 88 Ų | 88 | 110 Ų | 110 | 46% | 0.461 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66 | -35.6 | 174.3 | -71.7 | 171.3 | 0 | 0 | 0 | 112.8 | V325 R333 | V325-L329 HydrophobicContact CG1-CD1 3.85Å; V325-L329 HydrophobicContact CG1-CG 4.39Å; V325-L329 VanDerWaalsContact O-CB 3.31Å; V325-L329 WeakPolarHBondContact O-CB 3.48Å; V325-L329 WeakPolarHBondContact O-CG 3.08Å; V325-L329 PolarHBondContact O-N 3.25Å; L329-R333 WeakPolarHBondContact O-CB 3.41Å; L329-R333 WeakPolarHBondContact O-CG 2.79Å; L329-R333 PolarHBondContact O-N 2.97Å |
| 330 | R | 77.9 | Confident | 69.4 | Low | 154 Ų | 154 | 110.3 Ų | 110.3 | 58% | 0.581 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.5 | -37.8 | 173.6 | -78.4 | 175.8 | -178.5 | -175.1 | 2.4 | 112.2 | L326 L327 T328 W332 R333 R334 | L326-R330 VanDerWaalsContact O-CB 3.26Å; L326-R330 WeakPolarHBondContact O-CB 3.34Å; L326-R330 WeakPolarHBondContact O-CG 3.28Å; L326-R330 PolarHBondContact O-N 3.36Å; L327-R330 PolarHBondContact O-N 2.85Å; T328-R330 PolarHBondContact O-N 3.31Å; R330-W332 VanDerWaalsContact C-N 3.34Å; R330-R333 PolarHBondContact O-N 3.28Å; R330-R334 WeakPolarHBondContact O-CB 2.97Å; R330-R334 WeakPolarHBondContact O-CG 3.19Å; R330-R334 PolarHBondContact O-N 2.96Å |
| 331 | A | 67.1 | Low | 66.9 | Low | 48 Ų | 48 | 110.5 Ų | 110.5 | 40% | 0.397 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -65 | -40.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L327 T328 R334 G335 V336 | L327-A331 VanDerWaalsContact O-CB 3.31Å; L327-A331 WeakPolarHBondContact O-CB 3.44Å; L327-A331 PolarHBondContact O-N 2.79Å; T328-A331 PolarHBondContact O-N 3.12Å; A331-R334 PolarHBondContact O-N 2.01Å; A331-G335 PolarHBondContact O-N 3.06Å; A331-V336 PolarHBondContact O-N 3.19Å |
| 332 | W | 62.8 | Low | 64 | Low | 208 Ų | 208 | 112.3 Ų | 112.3 | 79% | 0.788 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.4 | -45.3 | 174.5 | -165.1 | 74.1 | 0 | 0 | 0 | 112.1 | T328 R330 R334 G335 | T328-W332 VanDerWaalsContact O-CB 3.27Å; T328-W332 WeakPolarHBondContact O-CB 3.38Å; T328-W332 PolarHBondContact O-N 3.39Å; R330-W332 VanDerWaalsContact C-N 3.34Å; W332-R334 PolarHBondContact O-N 2.92Å; W332-G335 PolarHBondContact O-N 3.1Å |
| 333 | R | 64.6 | Low | 61.1 | Low | 223 Ų | 223 | 113.3 Ų | 113.3 | 84% | 0.842 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65 | -23.5 | 173.8 | -82 | -167.3 | -173.4 | -154.3 | 2.9 | 114.2 | L329 R330 | L329-R333 WeakPolarHBondContact O-CB 3.41Å; L329-R333 WeakPolarHBondContact O-CG 2.79Å; L329-R333 PolarHBondContact O-N 2.97Å; R330-R333 PolarHBondContact O-N 3.28Å |
| 334 | R | 62.2 | Low | 58.2 | Low | 200 Ų | 200 | 122 Ų | 122 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 3.4 | 177.3 | -74.6 | -179.5 | 176.8 | 167 | -1.7 | 113.4 | R330 A331 W332 V336 | R330-R334 WeakPolarHBondContact O-CB 2.97Å; R330-R334 WeakPolarHBondContact O-CG 3.19Å; R330-R334 PolarHBondContact O-N 2.96Å; A331-R334 PolarHBondContact O-N 2.01Å; W332-R334 PolarHBondContact O-N 2.92Å; R334-V336 HydrophobicContact CB-CG2 4.11Å; R334-V336 WeakPolarHBondContact O-CG2 3.42Å; R334-V336 PolarHBondContact O-N 3.27Å; R334-V336 VanDerWaalsContact O-N 3.17Å |
| 335 | G | 55.1 | Low | 56 | Low | 65 Ų | 65 | 124.2 Ų | 124.2 | 67% | 0.67 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.9 | 27.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | A331 W332 C337 | A331-G335 PolarHBondContact O-N 3.06Å; W332-G335 PolarHBondContact O-N 3.1Å; G335-C337 PolarHBondContact O-N 3.18Å |
| 336 | V | 50.6 | Low | 53.2 | Low | 107 Ų | 107 | 125.6 Ų | 125.6 | 65% | 0.648 | 71% | 0.706 | S | S | * | * | trans | -91.6 | 92.5 | -179 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | A331 R334 | A331-V336 PolarHBondContact O-N 3.19Å; R334-V336 HydrophobicContact CB-CG2 4.11Å; R334-V336 WeakPolarHBondContact O-CG2 3.42Å; R334-V336 PolarHBondContact O-N 3.27Å; R334-V336 VanDerWaalsContact O-N 3.17Å | ||
| 337 | C | 43.8 | Very low | 51 | Low | 113 Ų | 113 | 127.4 Ų | 127.4 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 138.9 | 164.1 | -73.8 | 0 | 0 | 0 | 0 | 109.7 | G335 | G335-C337 PolarHBondContact O-N 3.18Š|
| 338 | P | 43.4 | Very low | 48.8 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 149.1 | 172.6 | 27.9 | -32.2 | 0 | 0 | 0 | 110.6 | G340 | P338-G340 PolarHBondContact O-N 3.17Š|
| 339 | P | 41.1 | Very low | 46.7 | Very low | 139 Ų | 139 | 137.3 Ų | 137.3 | 90% | 0.903 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 118.9 | 179.3 | 31.5 | -30 | 0 | 0 | 0 | 109.6 | ||
| 340 | G | 39.4 | Very low | 44.9 | Very low | 65 Ų | 65 | 137.6 Ų | 137.6 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | trans | -153.4 | 147.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P338 | P338-G340 PolarHBondContact O-N 3.17Š| ||
| 341 | P | 39 | Very low | 42.7 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 84% | 0.844 | 78% | 0.777 | S | S | * | * | trans | -86.5 | 144.9 | -138.6 | 32.1 | -34.9 | 0 | 0 | 0 | 115.4 | ||||
| 342 | C | 29.6 | Very low | 40.8 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 86% | 0.858 | 80% | 0.797 | S | S | * | * | trans | 4.5 | 115.4 | 155.1 | -57 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 343 | C | 29.9 | Very low | 39.3 | Very low | 129 Ų | 129 | 135 Ų | 135 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60 | 141.7 | 153.1 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 344 | Y | 30.6 | Very low | 37.6 | Very low | 229 Ų | 229 | 133.3 Ų | 133.3 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 153.8 | 160.6 | -95.7 | -95.2 | 0 | 0 | 0 | 111.3 | ||
| 345 | P | 37 | Very low | 36.3 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95 | 143.9 | -176.8 | 36 | -29.9 | 0 | 0 | 0 | 112.7 | ||
| 346 | A | 27.4 | Very low | 35.3 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | 164.5 | 161.1 | 136.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 347 | P | 40.1 | Very low | 34.4 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | cis | -122.6 | 176.9 | -42.2 | 33 | -16 | 0 | 0 | 0 | 111.4 | Y349 | P347-Y349 PolarHBondContact O-N 3.49Š| ||
| 348 | H | 36.7 | Very low | 33.6 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | trans | -38.1 | 125.4 | 174.6 | -63.6 | -91.7 | 0 | 0 | 0 | 115.7 | ||||
| 349 | Y | 30.2 | Very low | 32.9 | Very low | 228 Ų | 228 | 143.2 Ų | 143.2 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | trans | -166.1 | 116 | 133.6 | -117 | -86.2 | 0 | 0 | 0 | 108 | P347 | P347-Y349 PolarHBondContact O-N 3.49Š| ||
| 350 | A | 33.7 | Very low | 32.4 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 78% | 0.777 | 82% | 0.824 | S | S | * | * | trans | -80.2 | 143.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 351 | P | 31.4 | Very low | 31.9 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | trans | -129.4 | 151.3 | 135.7 | 26 | -9.2 | 0 | 0 | 0 | 112.3 | ||||
| 352 | A | 29.1 | Very low | 31.4 | Very low | 98 Ų | 98 | 146.6 Ų | 146.6 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | trans | -57.4 | 151 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 353 | C | 30.1 | Very low | 31.6 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 89% | 0.892 | 83% | 0.83 | S | S | * | * | trans | -62.7 | 133.6 | 167.1 | -72.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 354 | Q | 29.7 | Very low | 32.1 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -147.1 | 132 | 151.4 | -160.5 | 130.7 | 3.3 | 0 | 0 | 109.5 | ||||
| 355 | D | 33.9 | Very low | 32.3 | Very low | 150 Ų | 150 | 142 Ų | 142 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -49.2 | 140.6 | 177.2 | -63.9 | -59.8 | 0 | 0 | 0 | 113.2 | ||||
| 356 | Q | 35.3 | Very low | 32.1 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | 175.4 | 119.5 | 127.9 | -95.9 | 167.9 | -12.7 | 0 | 0 | 113 | |||||
| 357 | E | 31.7 | Very low | 32.3 | Very low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 82% | 0.824 | S | S | * | * | trans | 47.6 | 108.1 | 141.9 | -68.3 | 170.8 | 117.7 | 0 | 0 | 120.6 | Q359 | E357-Q359 PolarHBondContact O-N 3.24Š| ||
| 358 | C | 26.9 | Very low | 32.4 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 93% | 0.932 | 82% | 0.821 | S | S | * | * | trans | -74.9 | 112.2 | 154.1 | -64.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 359 | Q | 29.2 | Very low | 32.2 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -103.5 | 126 | 158.2 | -83 | -165.8 | -27.8 | 0 | 0 | 110.6 | E357 | E357-Q359 PolarHBondContact O-N 3.24Š| ||
| 360 | V | 29.8 | Very low | 32.8 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | -78.3 | 133.7 | 169 | 174.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 361 | S | 28.1 | Very low | 33.6 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -146.6 | 124.2 | 155.9 | -79 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 362 | M | 30.1 | Very low | 33.7 | Very low | 161 Ų | 161 | 140.2 Ų | 140.2 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | trans | -92.5 | 165.9 | 176.2 | -68.8 | -82.4 | -155.5 | 0 | 0 | 110.1 | ||||
| 363 | L | 33 | Very low | 34.1 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | trans | 107 | 154.9 | 160.1 | -68.5 | 127.8 | 0 | 0 | 0 | 116.3 | ||||
| 364 | P | 39.4 | Very low | 34.7 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | -136 | -176.1 | -63.6 | 36.6 | -16.7 | 0 | 0 | 0 | 112.1 | |||||
| 365 | A | 36.2 | Very low | 35.4 | Very low | 106 Ų | 106 | 139.1 Ų | 139.1 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | -78.5 | 152.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 366 | G | 32.5 | Very low | 35.4 | Very low | 66 Ų | 66 | 140.8 Ų | 140.8 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | trans | 151.9 | 93.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 367 | L | 32.4 | Very low | 35.7 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | 53.6 | 168 | 133.5 | -69.3 | 154 | 0 | 0 | 0 | 121.9 | ||||
| 368 | P | 41.4 | Very low | 35.8 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | cis | -131.5 | 171.6 | -40.8 | 36.5 | -19.5 | 0 | 0 | 0 | 113.3 | ||||
| 369 | L | 32.8 | Very low | 36.2 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -138.7 | 137.6 | 165.5 | -82.3 | 168 | 0 | 0 | 0 | 111.5 | ||||
| 370 | P | 42.2 | Very low | 36.8 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | trans | -114.4 | -172.9 | 166.3 | 43.7 | -31.7 | 0 | 0 | 0 | 111.2 | ||||
| 371 | P | 50.5 | Low | 37.2 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | -117.5 | 145.5 | -79.3 | 34.1 | -18.3 | 0 | 0 | 0 | 112.5 | |||||
| 372 | D | 33.5 | Very low | 37.6 | Very low | 172 Ų | 172 | 135 Ų | 135 | 92% | 0.92 | 82% | 0.818 | S | S | * | * | trans | -108.2 | 136.8 | 164.3 | -84.8 | -40.7 | 0 | 0 | 0 | 110.7 | ||||
| 373 | L | 36.7 | Very low | 38.1 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 84% | 0.841 | S | S | * | * | trans | -103 | 168 | 163.9 | -90.9 | 151.1 | 0 | 0 | 0 | 108.1 | ||||
| 374 | P | 44.1 | Very low | 38.3 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 84% | 0.84 | S | S | * | * | cis | -127.9 | -177.4 | -17.5 | 23 | 1.8 | 0 | 0 | 0 | 112.5 | ||||
| 375 | P | 43.2 | Very low | 38.3 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 78% | 0.779 | 84% | 0.844 | S | S | * | * | trans | -104.3 | 158.4 | -161.4 | 38.3 | -30.2 | 0 | 0 | 0 | 115.1 | ||||
| 376 | E | 34.3 | Very low | 38.4 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 87% | 0.869 | 84% | 0.842 | S | S | * | * | trans | -113.3 | 151.1 | 162.3 | -87.7 | -79.6 | 137.7 | 0 | 0 | 110.3 | ||||
| 377 | P | 41.3 | Very low | 38.7 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 85% | 0.852 | S | S | * | * | trans | -100.2 | 157.6 | -150.1 | 37.2 | -32.6 | 0 | 0 | 0 | 114.8 | ||||
| 378 | G | 34.6 | Very low | 39.1 | Very low | 83 Ų | 83 | 143.4 Ų | 143.4 | 86% | 0.856 | 85% | 0.849 | S | S | * | * | trans | 112.5 | 73.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 379 | K | 36.1 | Very low | 39 | Very low | 206 Ų | 206 | 145.7 Ų | 145.7 | 90% | 0.896 | 86% | 0.859 | S | S | * | * | trans | -135.4 | 118.1 | 152.4 | -145.3 | 170.9 | -171.3 | 177.5 | 0 | 109.8 | ||||
| 380 | T | 41.6 | Very low | 39.4 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 86% | 0.859 | 86% | 0.855 | S | S | * | * | trans | -61.7 | 133.9 | 176.3 | 26.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 381 | T | 38.3 | Very low | 39.2 | Very low | 140 Ų | 140 | 146 Ų | 146 | 86% | 0.859 | 86% | 0.864 | S | S | * | * | trans | -69.6 | 144.1 | 169.8 | 9.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 382 | A | 34.8 | Very low | 38.2 | Very low | 100 Ų | 100 | 148.3 Ų | 148.3 | 83% | 0.826 | 87% | 0.871 | S | S | * | * | trans | -117.2 | 129.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 383 | L | 40.5 | Very low | 38.7 | Very low | 245 Ų | 245 | 146.1 Ų | 146.1 | 100% | 1.283 | 87% | 0.867 | S | S | * | * | trans | -70.4 | 0 | 172.9 | -95.2 | 143 | 0 | 0 | 0 | 111.6 |
Retrieved 383 of 383 residues in 98.2 ms
(Link to these results)