| 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 | 34 | Very low | 41.3 | Very low | 247 Ų | 247 | 150.3 Ų | 150.3 | 100% | 1.217 | 88% | 0.879 | S | S | * | * | 0 | 130.8 | 0 | -78.8 | -164.1 | -93.8 | 0 | 0 | 108.3 | |||||
| 2 | A | 36.7 | Very low | 41.9 | Very low | 100 Ų | 100 | 154.8 Ų | 154.8 | 83% | 0.826 | 88% | 0.88 | S | S | * | * | trans | -73.4 | 151.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | A | 33.3 | Very low | 42.8 | Very low | 97 Ų | 97 | 157.6 Ų | 157.6 | 80% | 0.802 | 88% | 0.881 | S | S | * | * | trans | -158.5 | 99.1 | 140.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | T | 41.1 | Very low | 43.7 | Very low | 138 Ų | 138 | 150.8 Ų | 150.8 | 85% | 0.847 | 86% | 0.864 | S | S | * | * | trans | -66.1 | 122.7 | 161.6 | 41.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 5 | L | 41.2 | Very low | 44.6 | Very low | 168 Ų | 168 | 157.2 Ų | 157.2 | 88% | 0.88 | 87% | 0.869 | S | S | * | * | trans | -133.3 | 100.3 | 162.5 | -93.3 | 166.2 | 0 | 0 | 0 | 109.4 | G7 | L5-G7 PolarHBondContact O-N 3.48Š| ||
| 6 | C | 43.6 | Very low | 45.7 | Very low | 139 Ų | 139 | 157.3 Ų | 157.3 | 94% | 0.939 | 87% | 0.867 | S | S | * | * | trans | -62.3 | 122.9 | 159.4 | -87.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 7 | G | 42.5 | Very low | 46.3 | Very low | 74 Ų | 74 | 153.5 Ų | 153.5 | 76% | 0.763 | 85% | 0.851 | S | S | * | * | trans | -154.1 | 98.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L5 | L5-G7 PolarHBondContact O-N 3.48Š| ||
| 8 | R | 39.6 | Very low | 47.1 | Very low | 243 Ų | 243 | 153.9 Ų | 153.9 | 92% | 0.917 | 85% | 0.85 | S | S | * | * | trans | 32 | 110.8 | 161.9 | -67 | -178.9 | -166.4 | -155.9 | 1.9 | 118.3 | L10 | R8-L10 PolarHBondContact O-N 3.11Š| ||
| 9 | L | 44.1 | Very low | 47.8 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 95% | 0.953 | 85% | 0.847 | S | S | * | * | trans | -58.7 | 101.4 | 158.9 | -77.9 | 154.4 | 0 | 0 | 0 | 110.4 | ||||
| 10 | L | 50.6 | Low | 48.7 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 79% | 0.791 | 84% | 0.842 | S | S | * | * | trans | -75.1 | 135.8 | 159.5 | -79.8 | 157.8 | 0 | 0 | 0 | 108.4 | R8 K12 | R8-L10 PolarHBondContact O-N 3.11Å; L10-K12 PolarHBondContact O-N 2.98Å | ||
| 11 | P | 47.8 | Very low | 49.4 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 74% | 0.74 | 84% | 0.838 | S | S | * | * | trans | -62 | 128.1 | 177 | 26 | -31.6 | 0 | 0 | 0 | 108.9 | Q13 | P11-Q13 PolarHBondContact O-N 3.41Š| ||
| 12 | K | 49 | Very low | 50.8 | Low | 204 Ų | 204 | 143.6 Ų | 143.6 | 89% | 0.887 | 81% | 0.808 | S | S | * | * | trans | -49.2 | 102.3 | 177.1 | -65.2 | -178 | 177 | -178.9 | 0 | 109.8 | L10 G14 | L10-K12 PolarHBondContact O-N 2.98Å; K12-G14 PolarHBondContact O-N 3.47Å; K12-G14 VanDerWaalsContact O-N 3.17Å | ||
| 13 | Q | 53.4 | Low | 51.9 | Low | 192 Ų | 192 | 149.9 Ų | 149.9 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -65.5 | 115.2 | 159.5 | -76.2 | -175 | -8.2 | 0 | 0 | 106.3 | P11 W15 | P11-Q13 PolarHBondContact O-N 3.41Å; Q13-W15 PolarHBondContact O-N 3.01Å | ||
| 14 | G | 54.8 | Low | 53.5 | Low | 62 Ų | 62 | 154 Ų | 154 | 64% | 0.639 | 81% | 0.813 | S | S | * | * | trans | -53.5 | 136.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K12 L16 | K12-G14 PolarHBondContact O-N 3.47Å; K12-G14 VanDerWaalsContact O-N 3.17Å; G14-L16 VanDerWaalsContact C-N 3.3Å; G14-L16 PolarHBondContact O-N 3.49Å | ||
| 15 | W | 57 | Low | 54.8 | Low | 247 Ų | 247 | 150.8 Ų | 150.8 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | -68.6 | 93.2 | 164.7 | -142.7 | 61.5 | 0 | 0 | 0 | 107 | Q13 P17 | Q13-W15 PolarHBondContact O-N 3.01Å; W15-P17 WeakPolarHBondContact O-CD 3.41Å | ||
| 16 | L | 62.2 | Low | 56.5 | Low | 159 Ų | 159 | 146.8 Ų | 146.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -76.1 | 116.4 | 168.8 | -72.4 | 168.8 | 0 | 0 | 0 | 106.8 | G14 L18 | G14-L16 VanDerWaalsContact C-N 3.3Å; G14-L16 PolarHBondContact O-N 3.49Å; L16-L18 PolarHBondContact O-N 3.45Å | ||
| 17 | P | 56.2 | Low | 58.6 | Low | 93 Ų | 93 | 148.7 Ų | 148.7 | 60% | 0.604 | 79% | 0.785 | S | S | * | * | trans | -62.7 | 113.6 | 171.1 | 26.3 | -31 | 0 | 0 | 0 | 107.3 | W15 T19 | W15-P17 WeakPolarHBondContact O-CD 3.41Å; P17-T19 PolarHBondContact O-N 3.28Å | ||
| 18 | L | 59.9 | Low | 60.5 | Low | 160 Ų | 160 | 150 Ų | 150 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -62.1 | 94.3 | 162.8 | -105.1 | 149.9 | 0 | 0 | 0 | 106.2 | L16 Q20 | L16-L18 PolarHBondContact O-N 3.45Å; L18-Q20 PolarHBondContact O-N 3.47Å | ||
| 19 | T | 62.1 | Low | 62.9 | Low | 127 Ų | 127 | 144.6 Ų | 144.6 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -69.6 | 76.7 | 171.9 | 44.5 | 0 | 0 | 0 | 0 | 108.2 | P17 S21 | P17-T19 PolarHBondContact O-N 3.28Å; T19-S21 PolarHBondContact O-N 2.86Å | ||
| 20 | Q | 65.1 | Low | 65.1 | Low | 160 Ų | 160 | 138.1 Ų | 138.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -68.1 | 104.4 | 165.3 | -92.9 | -176.1 | -17.4 | 0 | 0 | 107.5 | L18 V22 | L18-Q20 PolarHBondContact O-N 3.47Å; Q20-V22 HydrophobicContact CB-CG2 4.41Å; Q20-V22 PolarHBondContact O-N 3.47Å | ||
| 21 | S | 63.9 | Low | 67.1 | Low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -69.1 | 84.6 | 168 | 58.4 | 0 | 0 | 0 | 0 | 109.1 | T19 R23 | T19-S21 PolarHBondContact O-N 2.86Å; S21-R23 PolarHBondContact O-N 3.16Å; S21-R23 VanDerWaalsContact O-N 3.09Å | ||
| 22 | V | 62.6 | Low | 69 | Low | 97 Ų | 97 | 144 Ų | 144 | 59% | 0.588 | 75% | 0.752 | S | S | * | * | trans | -72.3 | 103.9 | 170.7 | -177.2 | 0 | 0 | 0 | 0 | 107.1 | Q20 H24 | Q20-V22 HydrophobicContact CB-CG2 4.41Å; Q20-V22 PolarHBondContact O-N 3.47Å; V22-H24 PolarHBondContact O-N 2.99Å | ||
| 23 | R | 61 | Low | 70.9 | Confident | 233 Ų | 233 | 146 Ų | 146 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | trans | -68.9 | 103.2 | 175.3 | -64.9 | -173.4 | -178.8 | -160.8 | 0.6 | 108.6 | S21 G25 | S21-R23 PolarHBondContact O-N 3.16Å; S21-R23 VanDerWaalsContact O-N 3.09Å; R23-G25 VanDerWaalsContact C-N 3.35Å; R23-G25 PolarHBondContact O-N 3.42Å | ||
| 24 | H | 65.8 | Low | 72.5 | Confident | 184 Ų | 184 | 139.8 Ų | 139.8 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | trans | -67.3 | 92.2 | 171.5 | -70 | -68.3 | 0 | 0 | 0 | 110.1 | V22 | V22-H24 PolarHBondContact O-N 2.99Š| ||
| 25 | G | 68.6 | Low | 74.2 | Confident | 69 Ų | 69 | 142.7 Ų | 142.7 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 150.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R23 | R23-G25 VanDerWaalsContact C-N 3.35Å; R23-G25 PolarHBondContact O-N 3.42Å |
| 26 | S | 77.9 | Confident | 75.9 | Confident | 85 Ų | 85 | 135.2 Ų | 135.2 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 139.6 | 172.8 | 53.8 | 0 | 0 | 0 | 0 | 111.2 | K34 | S26-K34 PolarHBondContact O-NZ 3.35Å; S26-K34 PolarHBondContact OG-NZ 3.27Å |
| 27 | K | 85.8 | Confident | 77.4 | Confident | 179 Ų | 179 | 133.9 Ų | 133.9 | 78% | 0.778 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 144.8 | 178 | -65 | -173.5 | 177.6 | -176.2 | 0 | 112.5 | V29 K34 | K27-V29 PolarHBondContact O-N 3.31Å; K27-K34 WeakPolarHBondContact O-CE 3.19Å; K27-K34 PolarHBondContact O-NZ 3.05Å |
| 28 | A | 82.9 | Confident | 79.3 | Confident | 101 Ų | 101 | 134.8 Ų | 134.8 | 84% | 0.835 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -47.7 | -40.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 29 | V | 90.5 | Very high | 81.1 | Confident | 130 Ų | 130 | 132.9 Ų | 132.9 | 79% | 0.788 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -103.7 | 129.5 | 175.9 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | K27 | K27-V29 PolarHBondContact O-N 3.31Š|
| 30 | T | 89.6 | Confident | 82.6 | Confident | 46 Ų | 46 | 132.5 Ų | 132.5 | 28% | 0.282 | 67% | 0.674 | S | S | . | * | trans | -133.6 | 158.3 | 176.9 | 45.4 | 0 | 0 | 0 | 0 | 110.8 | H32 K34 | T30-H32 VanDerWaalsContact C-N 3.26Å; T30-H32 PolarHBondContact O-N 3.46Å; T30-H32 PolarHBondContact OG1-O 3.41Å; T30-K34 HydrophobicContact CG2-CD 4.46Å; T30-K34 WeakPolarHBondContact OG1-CE 3.42Å; T30-K34 WeakPolarHBondContact OG1-CG 3.29Å | ||
| 31 | R | 92.1 | Very high | 84.1 | Confident | 265 Ų | 265 | 130.6 Ų | 130.6 | 100% | 1 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -64.9 | -28.4 | 176.3 | -67.1 | -174.3 | 177.6 | -147.9 | -0.1 | 113.4 | ||
| 32 | H | 89.6 | Confident | 85.7 | Confident | 124 Ų | 124 | 131.5 Ų | 131.5 | 57% | 0.574 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -102.7 | 156.4 | 176.7 | 63.4 | -87.5 | 0 | 0 | 0 | 111.1 | T30 K34 | T30-H32 VanDerWaalsContact C-N 3.26Å; T30-H32 PolarHBondContact O-N 3.46Å; T30-H32 PolarHBondContact OG1-O 3.41Å; H32-K34 PolarHBondContact O-N 3Å |
| 33 | R | 88.3 | Confident | 87.4 | Confident | 245 Ų | 245 | 131.7 Ų | 131.7 | 93% | 0.925 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 117.9 | 172.6 | -73 | -175 | 175.4 | 176.6 | -1 | 109.3 | ||
| 34 | K | 87.6 | Confident | 89 | Confident | 61 Ų | 61 | 124.8 Ų | 124.8 | 27% | 0.265 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -71.4 | 145.6 | 175.9 | -65.5 | -167.4 | 168 | -155.9 | 0 | 111.2 | S26 K27 T30 H32 M36 | S26-K34 PolarHBondContact O-NZ 3.35Å; S26-K34 PolarHBondContact OG-NZ 3.27Å; K27-K34 WeakPolarHBondContact O-CE 3.19Å; K27-K34 PolarHBondContact O-NZ 3.05Å; T30-K34 HydrophobicContact CG2-CD 4.46Å; T30-K34 WeakPolarHBondContact OG1-CE 3.42Å; T30-K34 WeakPolarHBondContact OG1-CG 3.29Å; H32-K34 PolarHBondContact O-N 3Å; K34-M36 PolarHBondContact O-N 3.22Å |
| 35 | P | 89.8 | Confident | 90.5 | Very high | 124 Ų | 124 | 118.7 Ų | 118.7 | 81% | 0.805 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.7 | 165.4 | 27.5 | -33.2 | 0 | 0 | 0 | 109.1 | ||
| 36 | M | 92.3 | Very high | 91.8 | Very high | 90 Ų | 90 | 122.1 Ų | 122.1 | 44% | 0.443 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -78.7 | 150.9 | 175 | -63.5 | -165 | -170.4 | 0 | 0 | 109.9 | K34 K40 Q41 M44 | K34-M36 PolarHBondContact O-N 3.22Å; M36-K40 HydrophobicContact CB-CB 4.35Å; M36-K40 HydrophobicContact CB-CD 4.41Å; M36-K40 HydrophobicContact CB-CG 4.41Å; M36-K40 HydrophobicContact CG-CD 4.32Å; M36-K40 HydrophobicContact SD-CD 4Å; M36-K40 HydrophobicContact SD-CG 3.89Å; M36-Q41 HydrophobicContact CB-CB 4.3Å; M36-M44 HydrophobicContact CE-CG 4.24Å; M36-M44 HydrophobicContact SD-CG 3.75Å |
| 37 | H | 93.6 | Very high | 92.7 | Very high | 130 Ų | 130 | 122.3 Ų | 122.3 | 60% | 0.602 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 145.3 | 166.4 | -174.1 | -97.1 | 0 | 0 | 0 | 109.8 | L39 K40 Q41 | H37-L39 PolarHBondContact ND1-N 3.44Å; H37-L39 PolarHBondContact O-N 3.37Å; H37-L39 VanDerWaalsContact O-N 3.12Å; H37-K40 HydrophobicContact CB-CB 4.48Å; H37-K40 WeakPolarHBondContact O-CA 3.48Å; H37-K40 WeakPolarHBondContact O-CB 3.39Å; H37-K40 PolarHBondContact O-N 3.21Å; H37-Q41 PolarHBondContact O-N 2.95Å |
| 38 | I | 96.3 | Very high | 93.3 | Very high | 113 Ų | 113 | 120.3 Ų | 120.3 | 58% | 0.579 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -51.4 | -43 | -174.9 | -65.4 | 167.7 | 0 | 0 | 0 | 111.8 | K40 Q41 K42 | I38-K40 PolarHBondContact O-N 3.07Å; I38-Q41 PolarHBondContact O-N 3.13Å; I38-K42 HydrophobicContact CG2-CD 4.45Å; I38-K42 WeakPolarHBondContact O-CG 3.49Å; I38-K42 PolarHBondContact O-N 3.19Å |
| 39 | L | 97 | Very high | 93.9 | Very high | 119 Ų | 119 | 124.3 Ų | 124.3 | 62% | 0.623 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.1 | -39.9 | 177.4 | -63 | 176 | 0 | 0 | 0 | 112.9 | H37 K42 L43 | H37-L39 PolarHBondContact ND1-N 3.44Å; H37-L39 PolarHBondContact O-N 3.37Å; H37-L39 VanDerWaalsContact O-N 3.12Å; L39-K42 PolarHBondContact O-N 2.84Å; L39-L43 PolarHBondContact O-N 2.89Å |
| 40 | K | 94.9 | Very high | 94.1 | Very high | 120 Ų | 120 | 124.7 Ų | 124.7 | 52% | 0.522 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.9 | -39.7 | 178.1 | -176.3 | 177.3 | 179.7 | 174.1 | 0 | 110.7 | M36 H37 I38 K42 L43 M44 | M36-K40 HydrophobicContact CB-CB 4.35Å; M36-K40 HydrophobicContact CB-CD 4.41Å; M36-K40 HydrophobicContact CB-CG 4.41Å; M36-K40 HydrophobicContact CG-CD 4.32Å; M36-K40 HydrophobicContact SD-CD 4Å; M36-K40 HydrophobicContact SD-CG 3.89Å; H37-K40 HydrophobicContact CB-CB 4.48Å; H37-K40 WeakPolarHBondContact O-CA 3.48Å; H37-K40 WeakPolarHBondContact O-CB 3.39Å; H37-K40 PolarHBondContact O-N 3.21Å; I38-K40 PolarHBondContact O-N 3.07Å; K40-K42 VanDerWaalsContact C-N 3.35Å; K40-L43 PolarHBondContact O-N 3.27Å; K40-M44 WeakPolarHBondContact O-CG 3.42Å; K40-M44 PolarHBondContact O-N 3.18Å |
| 41 | Q | 96.8 | Very high | 94.3 | Very high | 120 Ų | 120 | 126 Ų | 126 | 56% | 0.561 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.7 | -42.3 | 175.6 | -172.4 | 176.5 | -5 | 0 | 0 | 111.6 | M36 H37 I38 M44 A45 | M36-Q41 HydrophobicContact CB-CB 4.3Å; H37-Q41 PolarHBondContact O-N 2.95Å; I38-Q41 PolarHBondContact O-N 3.13Å; Q41-M44 PolarHBondContact O-N 3.5Å; Q41-A45 PolarHBondContact O-N 3.31Å |
| 42 | K | 97.3 | Very high | 94.4 | Very high | 126 Ų | 126 | 118.6 Ų | 118.6 | 55% | 0.548 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.9 | -44 | 172.9 | -71.8 | 178.5 | 179.7 | -172.1 | 0 | 112 | I38 L39 K40 A45 I46 | I38-K42 HydrophobicContact CG2-CD 4.45Å; I38-K42 WeakPolarHBondContact O-CG 3.49Å; I38-K42 PolarHBondContact O-N 3.19Å; L39-K42 PolarHBondContact O-N 2.84Å; K40-K42 VanDerWaalsContact C-N 3.35Å; K42-A45 PolarHBondContact O-N 2.75Å; K42-I46 VanDerWaalsContact O-CG1 3.27Å; K42-I46 WeakPolarHBondContact O-CG1 3.26Å; K42-I46 PolarHBondContact O-N 3.5Å |
| 43 | L | 97.1 | Very high | 94.2 | Very high | 101 Ų | 101 | 121.6 Ų | 121.6 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.1 | -48.8 | 176.3 | -173.2 | 155.7 | 0 | 0 | 0 | 110.7 | L39 K40 A45 I46 T47 | L39-L43 PolarHBondContact O-N 2.89Å; K40-L43 PolarHBondContact O-N 3.27Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 3.25Å; L43-I46 PolarHBondContact O-N 3.4Å; L43-T47 HydrophobicContact CD2-CG2 3.94Å; L43-T47 WeakPolarHBondContact O-CG2 3.4Å; L43-T47 PolarHBondContact O-N 3.29Å; L43-T47 PolarHBondContact O-OG1 2.79Å |
| 44 | M | 96 | Very high | 94.1 | Very high | 89 Ų | 89 | 114.9 Ų | 114.9 | 44% | 0.438 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -58 | -45.3 | 178.9 | -68.5 | -55.1 | -59.3 | 0 | 0 | 112 | M36 K40 Q41 I46 T47 E48 | M36-M44 HydrophobicContact CE-CG 4.24Å; M36-M44 HydrophobicContact SD-CG 3.75Å; K40-M44 WeakPolarHBondContact O-CG 3.42Å; K40-M44 PolarHBondContact O-N 3.18Å; Q41-M44 PolarHBondContact O-N 3.5Å; M44-I46 VanDerWaalsContact C-N 3.34Å; M44-I46 PolarHBondContact O-N 2.82Å; M44-T47 WeakPolarHBondContact CA-OG1 3.48Å; M44-T47 CarbonylContact O-C 3.59Å; M44-T47 PolarHBondContact O-N 3.34Å; M44-T47 PolarHBondContact O-OG1 3.38Å; M44-E48 WeakPolarHBondContact O-CG 3.44Å; M44-E48 PolarHBondContact O-N 3.16Å |
| 45 | A | 95.9 | Very high | 93.8 | Very high | 55 Ų | 55 | 117.5 Ų | 117.5 | 46% | 0.455 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -63.5 | -36.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q41 K42 L43 E48 | Q41-A45 PolarHBondContact O-N 3.31Å; K42-A45 PolarHBondContact O-N 2.75Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 3.25Å; A45-E48 WeakPolarHBondContact O-CG 3.34Å |
| 46 | I | 97.1 | Very high | 93.6 | Very high | 141 Ų | 141 | 113 Ų | 113 | 72% | 0.723 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.4 | -36.6 | 176.3 | -67.7 | 165.2 | 0 | 0 | 0 | 111 | K42 L43 M44 E48 | K42-I46 VanDerWaalsContact O-CG1 3.27Å; K42-I46 WeakPolarHBondContact O-CG1 3.26Å; K42-I46 PolarHBondContact O-N 3.5Å; L43-I46 PolarHBondContact O-N 3.4Å; M44-I46 VanDerWaalsContact C-N 3.34Å; M44-I46 PolarHBondContact O-N 2.82Å; I46-E48 PolarHBondContact O-N 2.71Å |
| 47 | T | 96.8 | Very high | 93.1 | Very high | 89 Ų | 89 | 113 Ų | 113 | 55% | 0.546 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.7 | 8.7 | 179.7 | 57.5 | 0 | 0 | 0 | 0 | 113.7 | L43 M44 Y49 | L43-T47 HydrophobicContact CD2-CG2 3.94Å; L43-T47 WeakPolarHBondContact O-CG2 3.4Å; L43-T47 PolarHBondContact O-N 3.29Å; L43-T47 PolarHBondContact O-OG1 2.79Å; M44-T47 WeakPolarHBondContact CA-OG1 3.48Å; M44-T47 CarbonylContact O-C 3.59Å; M44-T47 PolarHBondContact O-N 3.34Å; M44-T47 PolarHBondContact O-OG1 3.38Å; T47-Y49 PolarHBondContact O-N 3.1Å |
| 48 | E | 97.1 | Very high | 92.3 | Very high | 137 Ų | 137 | 113.3 Ų | 113.3 | 64% | 0.64 | 62% | 0.617 | S | S | * | * | trans | -63.9 | 131.7 | 174.6 | -72.1 | -179.1 | -172.6 | 0 | 0 | 110.3 | M44 A45 I46 I50 | M44-E48 WeakPolarHBondContact O-CG 3.44Å; M44-E48 PolarHBondContact O-N 3.16Å; A45-E48 WeakPolarHBondContact O-CG 3.34Å; I46-E48 PolarHBondContact O-N 2.71Å; E48-I50 PolarHBondContact O-N 3Å | ||
| 49 | Y | 97.1 | Very high | 91.3 | Very high | 186 Ų | 186 | 111.5 Ų | 111.5 | 73% | 0.729 | 63% | 0.626 | S | S | * | * | trans | -68.8 | 121.6 | -179.7 | 171.8 | -108.3 | 0 | 0 | 0 | 110.7 | T47 P51 | T47-Y49 PolarHBondContact O-N 3.1Å; Y49-P51 HydrophobicContact CE1-CB 3.78Å; Y49-P51 HydrophobicContact CE1-CG 4.41Å | ||
| 50 | I | 94.6 | Very high | 90.6 | Very high | 137 Ų | 137 | 109 Ų | 109 | 70% | 0.703 | 62% | 0.622 | S | S | * | * | trans | -102.3 | 108.7 | 173.4 | -57.2 | 175 | 0 | 0 | 0 | 107.8 | E48 | E48-I50 PolarHBondContact O-N 3Š| ||
| 51 | P | 93.7 | Very high | 90 | Very high | 73 Ų | 73 | 109.5 Ų | 109.5 | 47% | 0.474 | 63% | 0.63 | S | S | . | * | P | Polyproline II helix | trans | -65.3 | 149.1 | 175.4 | 26.7 | -33 | 0 | 0 | 0 | 110.7 | Y49 K53 | Y49-P51 HydrophobicContact CE1-CB 3.78Å; Y49-P51 HydrophobicContact CE1-CG 4.41Å; P51-K53 PolarHBondContact O-N 3.43Å |
| 52 | P | 92.7 | Very high | 89.1 | Confident | 111 Ų | 111 | 110.2 Ų | 110.2 | 72% | 0.721 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 124.9 | 175 | 26.2 | -33.4 | 0 | 0 | 0 | 109.3 | P54 | P52-P54 WeakPolarHBondContact O-CD 3.49Š|
| 53 | K | 87.3 | Confident | 88 | Confident | 187 Ų | 187 | 109.9 Ų | 109.9 | 81% | 0.813 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 119.6 | 175.8 | -66.7 | -180 | -178.1 | 176.7 | 0 | 108.1 | P51 A55 | P51-K53 PolarHBondContact O-N 3.43Å; K53-A55 PolarHBondContact O-N 3.28Å |
| 54 | P | 84.3 | Confident | 87.1 | Confident | 104 Ų | 104 | 116.5 Ų | 116.5 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 137.6 | 174.8 | 26.6 | -33.3 | 0 | 0 | 0 | 109.2 | P52 A56 | P52-P54 WeakPolarHBondContact O-CD 3.49Å; P54-A56 PolarHBondContact O-N 2.72Å |
| 55 | A | 82.6 | Confident | 86.2 | Confident | 116 Ų | 116 | 118.6 Ų | 118.6 | 96% | 0.959 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -62.3 | -27.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K53 | K53-A55 PolarHBondContact O-N 3.28Š|
| 56 | A | 84.3 | Confident | 85.2 | Confident | 30 Ų | 30 | 124.2 Ų | 124.2 | 25% | 0.248 | 70% | 0.703 | C | S | . | * | S | Bend | trans | -122.5 | 140.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | P54 A60 L61 | P54-A56 PolarHBondContact O-N 2.72Å; A56-A60 HydrophobicContact CB-CB 4.03Å; A56-L61 HydrophobicContact CB-CD1 4.43Å; A56-L61 HydrophobicContact CB-CG 4.16Å |
| 57 | P | 83.5 | Confident | 84.3 | Confident | 90 Ų | 90 | 122.9 Ų | 122.9 | 58% | 0.584 | 70% | 0.704 | S | S | * | * | trans | -63.5 | 153.9 | 174.4 | 26.7 | -32.9 | 0 | 0 | 0 | 110.8 | G59 A60 | P57-G59 PolarHBondContact O-N 3.28Å; P57-A60 HydrophobicContact CG-CB 3.82Å; P57-A60 PolarHBondContact O-N 3.12Å | ||
| 58 | P | 76.5 | Confident | 83.2 | Confident | 136 Ų | 136 | 125.4 Ų | 125.4 | 88% | 0.883 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 113.2 | 177.9 | 24.6 | -32.9 | 0 | 0 | 0 | 109.7 | ||
| 59 | G | 75.4 | Confident | 82.2 | Confident | 75 Ų | 75 | 127 Ų | 127 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.3 | -10.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P57 L61 | P57-G59 PolarHBondContact O-N 3.28Å; G59-L61 VanDerWaalsContact C-N 3.3Å |
| 60 | A | 81.5 | Confident | 81.2 | Confident | 66 Ų | 66 | 126.9 Ų | 126.9 | 55% | 0.545 | 73% | 0.732 | S | S | . | * | S | Bend | trans | -74 | -22 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A56 P57 | A56-A60 HydrophobicContact CB-CB 4.03Å; P57-A60 HydrophobicContact CG-CB 3.82Å; P57-A60 PolarHBondContact O-N 3.12Å |
| 61 | L | 81.7 | Confident | 80.4 | Confident | 131 Ų | 131 | 125.4 Ų | 125.4 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -98.9 | 141.9 | 171.5 | -60.8 | 176.5 | 0 | 0 | 0 | 109.4 | A56 G59 | A56-L61 HydrophobicContact CB-CD1 4.43Å; A56-L61 HydrophobicContact CB-CG 4.16Å; G59-L61 VanDerWaalsContact C-N 3.3Å |
| 62 | T | 77.8 | Confident | 80.2 | Confident | 135 Ų | 135 | 125.2 Ų | 125.2 | 83% | 0.828 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 123.9 | 171.2 | 47.1 | 0 | 0 | 0 | 0 | 108.5 | R64 | T62-R64 PolarHBondContact O-N 3.48Š|
| 63 | P | 75.1 | Confident | 80.1 | Confident | 118 Ų | 118 | 122.6 Ų | 122.6 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 138.7 | 178.4 | 23.8 | -31.5 | 0 | 0 | 0 | 108.6 | V65 | P63-V65 PolarHBondContact O-N 3.03Å; P63-V65 VanDerWaalsContact O-N 3.14Å |
| 64 | R | 77.8 | Confident | 80.3 | Confident | 240 Ų | 240 | 120 Ų | 120 | 91% | 0.906 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 125.1 | 176 | -167.2 | 174.9 | -176.4 | -179.5 | 0.9 | 108.3 | T62 K66 | T62-R64 PolarHBondContact O-N 3.48Å; R64-K66 PolarHBondContact O-N 3.07Å |
| 65 | V | 77.6 | Confident | 80.6 | Confident | 134 Ų | 134 | 116.8 Ų | 116.8 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 116.6 | 179.9 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | P63 | P63-V65 PolarHBondContact O-N 3.03Å; P63-V65 VanDerWaalsContact O-N 3.14Å |
| 66 | K | 75.4 | Confident | 81.1 | Confident | 172 Ų | 172 | 115 Ų | 115 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 135.8 | 175.6 | -67.1 | 179.9 | -179.1 | 177.6 | 0 | 107.1 | R64 V68 | R64-K66 PolarHBondContact O-N 3.07Å; K66-V68 PolarHBondContact O-N 2.88Å |
| 67 | P | 76.8 | Confident | 81.6 | Confident | 114 Ų | 114 | 117.8 Ų | 117.8 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 137.7 | 174.9 | 24 | -32.8 | 0 | 0 | 0 | 108.9 | Q69 | P67-Q69 PolarHBondContact O-N 3.32Š|
| 68 | V | 73.6 | Confident | 82.1 | Confident | 141 Ų | 141 | 116.2 Ų | 116.2 | 86% | 0.855 | 66% | 0.659 | S | S | * | * | trans | -57.5 | 112.2 | 178.2 | -179.1 | 0 | 0 | 0 | 0 | 107 | K66 E70 | K66-V68 PolarHBondContact O-N 2.88Å; V68-E70 PolarHBondContact O-N 3.12Å | ||
| 69 | Q | 76.1 | Confident | 82.8 | Confident | 170 Ų | 170 | 111 Ų | 111 | 79% | 0.794 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 124 | 177.2 | -67.3 | 179.8 | -4.1 | 0 | 0 | 107.7 | P67 | P67-Q69 PolarHBondContact O-N 3.32Š|
| 70 | E | 77.8 | Confident | 83.7 | Confident | 185 Ų | 185 | 114 Ų | 114 | 86% | 0.864 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 143.3 | 174.3 | -65.2 | 175.6 | 175.4 | 0 | 0 | 110.1 | V68 S72 | V68-E70 PolarHBondContact O-N 3.12Å; E70-S72 PolarHBondContact O-N 3.49Å |
| 71 | E | 77.3 | Confident | 84.2 | Confident | 106 Ų | 106 | 114.8 Ų | 114.8 | 50% | 0.495 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -61 | 132.3 | 178.4 | -63.3 | -163.9 | 156.6 | 0 | 0 | 110.1 | L76 K79 | E71-L76 HydrophobicContact CB-CD2 4.37Å; E71-L76 HydrophobicContact CB-CG 4.39Å; E71-L76 WeakPolarHBondContact OE2-CD2 3.28Å; E71-K79 IonicContact OE1-NZ 3.73Å; E71-K79 PolarHBondContact OE1-NZ 3.36Å; E71-K79 IonicContact OE2-NZ 2.74Å; E71-K79 PolarHBondContact OE2-NZ 2.91Å |
| 72 | S | 88.8 | Confident | 84.8 | Confident | 68 Ų | 68 | 108.8 Ų | 108.8 | 48% | 0.476 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 141.6 | 179.1 | 63.6 | 0 | 0 | 0 | 0 | 111.1 | E70 L74 V75 L76 | E70-S72 PolarHBondContact O-N 3.49Å; S72-L74 PolarHBondContact O-N 3.38Å; S72-L74 VanDerWaalsContact O-N 3.09Å; S72-V75 WeakPolarHBondContact O-CB 3.39Å; S72-V75 PolarHBondContact O-N 3.33Å; S72-V75 WeakPolarHBondContact OG-CG2 3.28Å; S72-L76 PolarHBondContact O-N 2.76Å |
| 73 | G | 91.3 | Very high | 85.5 | Confident | 57 Ų | 57 | 107 Ų | 107 | 59% | 0.588 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.6 | -30.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L76 L77 | G73-L76 PolarHBondContact O-N 3.37Å; G73-L77 PolarHBondContact O-N 3.45Å |
| 74 | L | 91.3 | Very high | 86.3 | Confident | 132 Ų | 132 | 104.6 Ų | 104.6 | 69% | 0.691 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.1 | -38.5 | 174.3 | -67 | 177.2 | 0 | 0 | 0 | 112.6 | S72 L76 L77 L78 | S72-L74 PolarHBondContact O-N 3.38Å; S72-L74 VanDerWaalsContact O-N 3.09Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L74-L77 PolarHBondContact O-N 3.28Å; L74-L78 WeakPolarHBondContact O-CB 3.41Å; L74-L78 VanDerWaalsContact O-CG 3.31Å; L74-L78 WeakPolarHBondContact O-CG 3.23Å; L74-L78 PolarHBondContact O-N 3.47Å |
| 75 | V | 91.4 | Very high | 87 | Confident | 36 Ų | 36 | 94.9 Ų | 94.9 | 22% | 0.218 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 177.3 | 170.5 | 0 | 0 | 0 | 0 | 110 | S72 L78 K79 V126 | S72-V75 WeakPolarHBondContact O-CB 3.39Å; S72-V75 PolarHBondContact O-N 3.33Å; S72-V75 WeakPolarHBondContact OG-CG2 3.28Å; V75-L78 PolarHBondContact O-N 3.19Å; V75-K79 HydrophobicContact CG1-CD 4.4Å; V75-K79 WeakPolarHBondContact O-CG 3.47Å; V75-K79 PolarHBondContact O-N 3.46Å; V75-V126 HydrophobicContact CG1-CG1 4.41Å; V75-V126 HydrophobicContact CG1-CG2 4.18Å; V75-V126 HydrophobicContact CG2-CG2 4.04Å |
| 76 | L | 91.6 | Very high | 87.6 | Confident | 80 Ų | 80 | 89 Ų | 89 | 42% | 0.419 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 175.4 | -66.4 | 175.9 | 0 | 0 | 0 | 112.3 | E71 S72 G73 L74 K79 K80 | E71-L76 HydrophobicContact CB-CD2 4.37Å; E71-L76 HydrophobicContact CB-CG 4.39Å; E71-L76 WeakPolarHBondContact OE2-CD2 3.28Å; S72-L76 PolarHBondContact O-N 2.76Å; G73-L76 PolarHBondContact O-N 3.37Å; L74-L76 VanDerWaalsContact C-N 3.32Å; L76-K79 PolarHBondContact O-N 3.24Å; L76-K80 WeakPolarHBondContact O-CG 3.31Å; L76-K80 PolarHBondContact O-N 3.06Å |
| 77 | L | 94.6 | Very high | 88.3 | Confident | 87 Ų | 87 | 87.4 Ų | 87.4 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 175.1 | -172.4 | 160.6 | 0 | 0 | 0 | 110.7 | G73 L74 K79 K80 D81 | G73-L77 PolarHBondContact O-N 3.45Å; L74-L77 PolarHBondContact O-N 3.28Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 3.13Å; L77-K80 WeakPolarHBondContact O-CB 3.4Å; L77-K80 PolarHBondContact O-N 3.34Å; L77-K80 VanDerWaalsContact O-N 3.12Å; L77-D81 WeakPolarHBondContact CD2-OD2 3.44Å; L77-D81 PolarHBondContact O-N 2.83Å |
| 78 | L | 94 | Very high | 88.9 | Confident | 57 Ų | 57 | 86.8 Ų | 86.8 | 30% | 0.298 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 178.1 | -70.4 | 173.6 | 0 | 0 | 0 | 112.2 | L74 V75 D81 L82 V126 | L74-L78 WeakPolarHBondContact O-CB 3.41Å; L74-L78 VanDerWaalsContact O-CG 3.31Å; L74-L78 WeakPolarHBondContact O-CG 3.23Å; L74-L78 PolarHBondContact O-N 3.47Å; V75-L78 PolarHBondContact O-N 3.19Å; L78-D81 PolarHBondContact O-N 3.1Å; L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.5Å; L78-L82 PolarHBondContact O-N 3.4Å; L78-V126 HydrophobicContact CB-CG1 3.88Å; L78-V126 HydrophobicContact CD1-CG2 4.27Å |
| 79 | K | 92.7 | Very high | 89.7 | Confident | 28 Ų | 28 | 81 Ų | 81 | 12% | 0.122 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 173.6 | -76.4 | 179.5 | 178.7 | -179.5 | 0 | 111.6 | E71 V75 L76 L77 L82 Q83 V126 S129 | E71-K79 IonicContact OE1-NZ 3.73Å; E71-K79 PolarHBondContact OE1-NZ 3.36Å; E71-K79 IonicContact OE2-NZ 2.74Å; E71-K79 PolarHBondContact OE2-NZ 2.91Å; V75-K79 HydrophobicContact CG1-CD 4.4Å; V75-K79 WeakPolarHBondContact O-CG 3.47Å; V75-K79 PolarHBondContact O-N 3.46Å; L76-K79 PolarHBondContact O-N 3.24Å; L77-K79 VanDerWaalsContact C-N 3.32Å; L77-K79 PolarHBondContact O-N 3.13Å; K79-L82 PolarHBondContact O-N 3.02Å; K79-Q83 PolarHBondContact O-N 2.76Å; K79-V126 HydrophobicContact CG-CG1 4.13Å; K79-S129 WeakPolarHBondContact CE-OG 3.38Å |
| 80 | K | 93.2 | Very high | 90.4 | Very high | 138 Ų | 138 | 78.9 Ų | 78.9 | 60% | 0.6 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 175.6 | -69.8 | 176.5 | -177.2 | -177.4 | 0 | 111.8 | L76 L77 L82 Q83 T84 | L76-K80 WeakPolarHBondContact O-CG 3.31Å; L76-K80 PolarHBondContact O-N 3.06Å; L77-K80 WeakPolarHBondContact O-CB 3.4Å; L77-K80 PolarHBondContact O-N 3.34Å; L77-K80 VanDerWaalsContact O-N 3.12Å; K80-L82 VanDerWaalsContact C-N 3.34Å; K80-L82 PolarHBondContact O-N 2.78Å; K80-Q83 WeakPolarHBondContact O-CB 3.39Å; K80-Q83 PolarHBondContact O-N 2.99Å; K80-T84 PolarHBondContact O-N 3.21Å |
| 81 | D | 93.1 | Very high | 91.1 | Very high | 81 Ų | 81 | 70.1 Ų | 70.1 | 43% | 0.433 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 175.2 | -76.1 | -1.6 | 0 | 0 | 0 | 111.3 | L77 L78 Q83 T84 M85 | L77-D81 WeakPolarHBondContact CD2-OD2 3.44Å; L77-D81 PolarHBondContact O-N 2.83Å; L78-D81 PolarHBondContact O-N 3.1Å; D81-Q83 VanDerWaalsContact C-N 3.32Å; D81-Q83 PolarHBondContact O-N 3.32Å; D81-T84 PolarHBondContact O-N 3.49Å; D81-T84 PolarHBondContact O-OG1 3.27Å; D81-M85 WeakPolarHBondContact O-CB 3.43Å; D81-M85 WeakPolarHBondContact O-CG 3.33Å; D81-M85 PolarHBondContact O-N 3.21Å |
| 82 | L | 92.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 65.4 Ų | 65.4 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 173.4 | -72.6 | 175.9 | 0 | 0 | 0 | 110.9 | L78 K79 K80 T84 M85 F86 I122 V126 M127 Y130 | L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.5Å; L78-L82 PolarHBondContact O-N 3.4Å; K79-L82 PolarHBondContact O-N 3.02Å; K80-L82 VanDerWaalsContact C-N 3.34Å; K80-L82 PolarHBondContact O-N 2.78Å; L82-T84 VanDerWaalsContact C-N 3.34Å; L82-T84 PolarHBondContact O-N 3.49Å; L82-M85 PolarHBondContact O-N 2.76Å; L82-F86 HydrophobicContact CB-CD2 4.47Å; L82-F86 HydrophobicContact CD2-CE2 4.42Å; L82-F86 WeakPolarHBondContact O-CB 3.26Å; L82-F86 VanDerWaalsContact O-CD2 3.27Å; L82-F86 WeakPolarHBondContact O-CD2 3.37Å; L82-F86 PolarHBondContact O-N 2.82Å; L82-I122 HydrophobicContact CD1-CG2 4.14Å; L82-I122 HydrophobicContact CD2-CD1 3.43Å; L82-I122 VanDerWaalsContact CD2-CD1 3.43Å; L82-I122 HydrophobicContact CD2-CG1 3.9Å; L82-I122 HydrophobicContact CD2-CG2 4.16Å; L82-V126 HydrophobicContact CD1-CG1 4.17Å; L82-M127 HydrophobicContact CD1-SD 4.21Å; L82-M127 HydrophobicContact CD2-CE 3.91Å; L82-M127 HydrophobicContact CD2-SD 4.49Å; L82-Y130 HydrophobicContact CB-CD1 4.17Å; L82-Y130 HydrophobicContact CB-CD2 4.18Å; L82-Y130 HydrophobicContact CB-CE1 4.26Å; L82-Y130 HydrophobicContact CB-CE2 4.27Å; L82-Y130 HydrophobicContact CB-CG 4.14Å; L82-Y130 HydrophobicContact CD1-CD1 4.2Å; L82-Y130 HydrophobicContact CD1-CG 4Å |
| 83 | Q | 92.3 | Very high | 92.2 | Very high | 98 Ų | 98 | 62.1 Ų | 62.1 | 46% | 0.458 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.5 | -46.2 | 179.1 | -168.4 | 177.3 | 0.5 | 0 | 0 | 112.3 | K79 K80 D81 F86 Q87 Y130 | K79-Q83 PolarHBondContact O-N 2.76Å; K80-Q83 WeakPolarHBondContact O-CB 3.39Å; K80-Q83 PolarHBondContact O-N 2.99Å; D81-Q83 VanDerWaalsContact C-N 3.32Å; D81-Q83 PolarHBondContact O-N 3.32Å; Q83-F86 PolarHBondContact O-N 3.49Å; Q83-Q87 VanDerWaalsContact O-CG 3.26Å; Q83-Q87 WeakPolarHBondContact O-CG 3.3Å; Q83-Q87 PolarHBondContact O-N 2.96Å; Q83-Q87 VanDerWaalsContact O-N 3.14Å; Q83-Y130 WeakPolarHBondContact CA-OH 3.4Å; Q83-Y130 HydrophobicContact CB-CE2 4.02Å |
| 84 | T | 93.1 | Very high | 92.3 | Very high | 67 Ų | 67 | 59.4 Ų | 59.4 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 176.5 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | K80 D81 L82 F86 Q87 D88 | K80-T84 PolarHBondContact O-N 3.21Å; D81-T84 PolarHBondContact O-N 3.49Å; D81-T84 PolarHBondContact O-OG1 3.27Å; L82-T84 VanDerWaalsContact C-N 3.34Å; L82-T84 PolarHBondContact O-N 3.49Å; T84-F86 PolarHBondContact O-N 2.89Å; T84-Q87 PolarHBondContact O-N 3.45Å; T84-D88 WeakPolarHBondContact O-CB 3.47Å; T84-D88 PolarHBondContact O-N 3.04Å |
| 85 | M | 91.6 | Very high | 92.4 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 18% | 0.177 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 176.6 | -71.7 | -148 | 78.8 | 0 | 0 | 112.8 | D81 L82 Q87 C89 K120 V151 | D81-M85 WeakPolarHBondContact O-CB 3.43Å; D81-M85 WeakPolarHBondContact O-CG 3.33Å; D81-M85 PolarHBondContact O-N 3.21Å; L82-M85 PolarHBondContact O-N 2.76Å; M85-Q87 VanDerWaalsContact C-N 3.31Å; M85-Q87 PolarHBondContact O-N 2.97Å; M85-C89 WeakPolarHBondContact O-CB 3.42Å; M85-C89 PolarHBondContact O-N 3.05Å; M85-C89 VanDerWaalsContact O-N 3.15Å; M85-C89 PolarHBondContact O-SG 3.19Å; M85-K120 HydrophobicContact CE-CD 4.39Å; M85-K120 HydrophobicContact CE-CG 3.9Å; M85-K120 HydrophobicContact SD-CD 4.22Å; M85-K120 HydrophobicContact SD-CG 3.95Å; M85-V151 HydrophobicContact CE-CB 4.05Å; M85-V151 HydrophobicContact CE-CG1 3.78Å; M85-V151 HydrophobicContact CE-CG2 4.13Å |
| 86 | F | 90.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 5% | 0.053 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -70.3 | -25.6 | 178.8 | -89 | -89.7 | 0 | 0 | 0 | 113.2 | L82 Q83 T84 I92 M127 Y130 L131 Y136 M139 | L82-F86 HydrophobicContact CB-CD2 4.47Å; L82-F86 HydrophobicContact CD2-CE2 4.42Å; L82-F86 WeakPolarHBondContact O-CB 3.26Å; L82-F86 VanDerWaalsContact O-CD2 3.27Å; L82-F86 WeakPolarHBondContact O-CD2 3.37Å; L82-F86 PolarHBondContact O-N 2.82Å; Q83-F86 PolarHBondContact O-N 3.49Å; T84-F86 PolarHBondContact O-N 2.89Å; F86-I92 HydrophobicContact CD1-CD1 3.18Å; F86-I92 HydrophobicContact CD2-CD1 4.34Å; F86-I92 HydrophobicContact CE1-CD1 3.29Å; F86-I92 HydrophobicContact CE2-CD1 4.42Å; F86-I92 HydrophobicContact CG-CD1 3.77Å; F86-I92 HydrophobicContact CZ-CD1 3.94Å; F86-M127 HydrophobicContact CE2-CE 4.06Å; F86-M127 HydrophobicContact CE2-SD 4.19Å; F86-M127 HydrophobicContact CZ-CE 4.29Å; F86-M127 HydrophobicContact CZ-SD 4.36Å; F86-Y130 HydrophobicContact CD2-CD1 4.38Å; F86-Y130 AromaticContact CD2-CE1 3.49Å; F86-Y130 HydrophobicContact CD2-CE1 3.49Å; F86-Y130 VanDerWaalsContact CD2-CE1 3.49Å; F86-Y130 HydrophobicContact CE2-CD1 4.13Å; F86-Y130 AromaticContact CE2-CE1 3.62Å; F86-Y130 HydrophobicContact CE2-CE1 3.62Å; F86-Y130 HydrophobicContact CG-CE1 4.08Å; F86-Y130 HydrophobicContact CZ-CE1 4.28Å; F86-L131 HydrophobicContact CZ-CD2 4.28Å; F86-Y136 HydrophobicContact CB-CE2 4.41Å; F86-Y136 AromaticContact CD1-CD2 3.56Å; F86-Y136 HydrophobicContact CD1-CD2 3.56Å; F86-Y136 AromaticContact CD1-CE2 3.39Å; F86-Y136 HydrophobicContact CD1-CE2 3.39Å; F86-Y136 AromaticContact CE1-CD2 3.66Å; F86-Y136 HydrophobicContact CE1-CD2 3.66Å; F86-Y136 AromaticContact CE1-CE2 3.96Å; F86-Y136 HydrophobicContact CE1-CE2 3.96Å; F86-Y136 HydrophobicContact CE1-CG 4.27Å; F86-Y136 HydrophobicContact CG-CD2 4.47Å; F86-Y136 HydrophobicContact CG-CE2 4.23Å; F86-M139 HydrophobicContact CE1-CE 3.54Å; F86-M139 HydrophobicContact CZ-CE 3.72Å |
| 87 | Q | 89.9 | Confident | 92.5 | Very high | 137 Ų | 137 | 51.8 Ų | 51.8 | 64% | 0.64 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -78.5 | -44.1 | 174.7 | -72.8 | 173 | 2.2 | 0 | 0 | 111.9 | Q83 T84 M85 C89 | Q83-Q87 VanDerWaalsContact O-CG 3.26Å; Q83-Q87 WeakPolarHBondContact O-CG 3.3Å; Q83-Q87 PolarHBondContact O-N 2.96Å; Q83-Q87 VanDerWaalsContact O-N 3.14Å; T84-Q87 PolarHBondContact O-N 3.45Å; M85-Q87 VanDerWaalsContact C-N 3.31Å; M85-Q87 PolarHBondContact O-N 2.97Å; Q87-C89 VanDerWaalsContact C-N 3.32Å; Q87-C89 PolarHBondContact O-N 3.43Å |
| 88 | D | 91.1 | Very high | 92.3 | Very high | 102 Ų | 102 | 51.3 Ų | 51.3 | 55% | 0.545 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -73.2 | -24.9 | -176.7 | -75.4 | -10.6 | 0 | 0 | 0 | 113.3 | T84 | T84-D88 WeakPolarHBondContact O-CB 3.47Å; T84-D88 PolarHBondContact O-N 3.04Å |
| 89 | C | 90.4 | Very high | 91.8 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 13% | 0.128 | 27% | 0.271 | C | S | . | . | trans | -110.6 | 121.3 | -166.1 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | M85 Q87 I92 V151 S152 | M85-C89 WeakPolarHBondContact O-CB 3.42Å; M85-C89 PolarHBondContact O-N 3.05Å; M85-C89 VanDerWaalsContact O-N 3.15Å; M85-C89 PolarHBondContact O-SG 3.19Å; Q87-C89 VanDerWaalsContact C-N 3.32Å; Q87-C89 PolarHBondContact O-N 3.43Å; C89-I92 HydrophobicContact CB-CG1 4.48Å; C89-V151 HydrophobicContact CB-CG1 3.31Å; C89-V151 WeakPolarHBondContact SG-CG1 3.22Å; C89-S152 WeakPolarHBondContact CB-O 3.49Å | ||
| 90 | K | 90.8 | Very high | 91.5 | Very high | 125 Ų | 125 | 52.2 Ų | 52.2 | 54% | 0.543 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -80.1 | -23.1 | 178.6 | -61.3 | -177.6 | -179.9 | -178.3 | 0 | 112.9 | S152 K153 E178 | K90-S152 PolarHBondContact N-O 3.33Å; K90-K153 WeakPolarHBondContact CB-O 3.27Å; K90-K153 WeakPolarHBondContact CD-O 3.5Å; K90-K153 WeakPolarHBondContact CG-O 3.36Å; K90-E178 HydrophobicContact CB-CG 4.43Å; K90-E178 PolarHBondContact O-N 2.93Å |
| 91 | M | 92.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 125 | -179 | -178.9 | 179.5 | 83.5 | 0 | 0 | 111 | I117 S152 P155 V157 M160 I177 | M91-I117 HydrophobicContact CE-CD1 4.34Å; M91-I117 HydrophobicContact CE-CG1 4.33Å; M91-S152 PolarHBondContact N-O 2.85Å; M91-S152 VanDerWaalsContact N-O 3.16Å; M91-S152 PolarHBondContact O-N 3.09Å; M91-P155 HydrophobicContact CB-CB 4.18Å; M91-P155 HydrophobicContact SD-CB 4.34Å; M91-V157 HydrophobicContact SD-CB 4.48Å; M91-V157 HydrophobicContact SD-CG2 3.5Å; M91-V157 WeakPolarHBondContact SD-CG2 3.5Å; M91-M160 HydrophobicContact CE-SD 4.36Å; M91-I177 HydrophobicContact CG-CG1 4.4Å |
| 92 | I | 93.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 111.9 | 176.2 | -59 | 173 | 0 | 0 | 0 | 107.8 | F86 C89 L149 F150 V151 A175 C176 | F86-I92 HydrophobicContact CD1-CD1 3.18Å; F86-I92 HydrophobicContact CD2-CD1 4.34Å; F86-I92 HydrophobicContact CE1-CD1 3.29Å; F86-I92 HydrophobicContact CE2-CD1 4.42Å; F86-I92 HydrophobicContact CG-CD1 3.77Å; F86-I92 HydrophobicContact CZ-CD1 3.94Å; C89-I92 HydrophobicContact CB-CG1 4.48Å; I92-L149 HydrophobicContact CG2-CD2 4.07Å; I92-F150 CarbonylContact C-O 3.56Å; I92-F150 WeakPolarHBondContact CA-O 3.45Å; I92-V151 HydrophobicContact CG1-CG1 4.49Å; I92-A175 CarbonylContact O-C 3.5Å; I92-A175 WeakPolarHBondContact O-CA 3.46Å; I92-C176 PolarHBondContact N-O 2.91Å; I92-C176 PolarHBondContact O-N 2.94Å |
| 93 | A | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L149 F150 M160 L172 A175 | A93-L149 WeakPolarHBondContact O-CA 3.21Å; A93-F150 HydrophobicContact CB-CB 4.23Å; A93-F150 PolarHBondContact N-O 3.25Å; A93-F150 PolarHBondContact O-N 3.39Å; A93-M160 HydrophobicContact CB-CE 4.26Å; A93-M160 HydrophobicContact CB-SD 3.68Å; A93-L172 HydrophobicContact CB-CD1 4.02Å; A93-A175 HydrophobicContact CB-CB 3.89Å |
| 94 | V | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 122.3 | 176.3 | -172.4 | 0 | 0 | 0 | 0 | 108.7 | M139 L142 F143 L149 L173 G174 | V94-M139 HydrophobicContact CG2-SD 4.31Å; V94-L142 HydrophobicContact CB-CB 4.38Å; V94-L142 HydrophobicContact CB-CD1 4.27Å; V94-L142 HydrophobicContact CG1-CB 3.96Å; V94-L142 HydrophobicContact CG2-CD1 4.11Å; V94-F143 HydrophobicContact CG1-CD1 4.43Å; V94-F143 HydrophobicContact CG1-CE1 3.97Å; V94-F143 HydrophobicContact CG1-CZ 4.2Å; V94-F143 HydrophobicContact CG2-CE1 4.24Å; V94-F143 HydrophobicContact CG2-CE2 4.33Å; V94-F143 HydrophobicContact CG2-CZ 3.71Å; V94-L149 HydrophobicContact CB-CD2 4.46Å; V94-L149 HydrophobicContact CG2-CD2 3.85Å; V94-L173 HydrophobicContact CG1-CD1 4.47Å; V94-L173 PolarHBondContact O-N 2.92Å; V94-G174 PolarHBondContact N-O 3.24Å; V94-G174 PolarHBondContact O-N 2.99Å |
| 95 | I | 93.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.4 | -175 | -67.9 | 160.4 | 0 | 0 | 0 | 108.7 | T147 V148 F150 L164 M170 V171 L172 | I95-T147 CarbonylContact O-C 3.55Å; I95-T147 WeakPolarHBondContact O-CA 3.39Å; I95-V148 PolarHBondContact N-O 2.82Å; I95-V148 PolarHBondContact O-N 3.31Å; I95-F150 HydrophobicContact CD1-CB 4.25Å; I95-F150 HydrophobicContact CD1-CD1 3.75Å; I95-F150 HydrophobicContact CD1-CD2 3.08Å; I95-F150 HydrophobicContact CD1-CE1 3.7Å; I95-F150 HydrophobicContact CD1-CE2 3.05Å; I95-F150 HydrophobicContact CD1-CG 3.43Å; I95-F150 VanDerWaalsContact CD1-CG 3.43Å; I95-F150 HydrophobicContact CD1-CZ 3.36Å; I95-L164 HydrophobicContact CD1-CD1 4.25Å; I95-L164 HydrophobicContact CD1-CD2 4.14Å; I95-M170 HydrophobicContact CG2-CB 3.84Å; I95-M170 HydrophobicContact CG2-CG 4.4Å; I95-M170 HydrophobicContact CG2-SD 3.82Å; I95-V171 CarbonylContact C-O 3.59Å; I95-V171 WeakPolarHBondContact CA-O 3.44Å; I95-L172 HydrophobicContact CG1-CD1 3.94Å |
| 96 | Q | 92.9 | Very high | 90.7 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 30% | 0.304 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126.3 | 169.9 | -172.6 | 175.1 | -6.8 | 0 | 0 | 109.3 | N98 V171 L173 | Q96-N98 PolarHBondContact NE2-OD1 3.06Å; Q96-V171 HydrophobicContact CB-CB 4.47Å; Q96-V171 PolarHBondContact N-O 3.5Å; Q96-V171 PolarHBondContact O-N 2.86Å; Q96-L173 HydrophobicContact CB-CD1 4.08Å; Q96-L173 HydrophobicContact CB-CD2 4.25Å; Q96-L173 HydrophobicContact CB-CG 4.09Å |
| 97 | N | 92.1 | Very high | 90.8 | Very high | 22 Ų | 22 | 62 Ų | 62 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 109.3 | 173.7 | 179.1 | 10.9 | 0 | 0 | 0 | 109.1 | A99 T100 Q146 V148 M170 | N97-A99 PolarHBondContact O-N 3.34Å; N97-T100 WeakPolarHBondContact OD1-CB 3.39Å; N97-T100 PolarHBondContact OD1-N 2.77Å; N97-T100 VanDerWaalsContact OD1-N 3.11Å; N97-T100 PolarHBondContact OD1-OG1 3.4Å; N97-Q146 HydrophobicContact CB-CB 4.48Å; N97-Q146 PolarHBondContact N-O 2.86Å; N97-Q146 PolarHBondContact O-OE1 3.23Å; N97-V148 HydrophobicContact CB-CG2 3.8Å; N97-M170 HydrophobicContact CB-CE 4.13Å; N97-M170 HydrophobicContact CB-SD 3.93Å |
| 98 | N | 89.1 | Confident | 90.8 | Very high | 78 Ų | 78 | 55.4 Ų | 55.4 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | trans | -93.2 | 80.3 | 172 | -67.8 | -26.4 | 0 | 0 | 0 | 109.3 | Q96 T100 Q169 V171 | Q96-N98 PolarHBondContact NE2-OD1 3.06Å; N98-T100 PolarHBondContact O-N 2.88Å; N98-Q169 WeakPolarHBondContact CB-O 3.42Å; N98-Q169 PolarHBondContact N-O 3.33Å; N98-V171 WeakPolarHBondContact ND2-CG2 3.31Å | ||
| 99 | A | 83.9 | Confident | 90.9 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 67% | 0.669 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 46.6 | 59.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N97 | N97-A99 PolarHBondContact O-N 3.34Š|
| 100 | T | 85.5 | Confident | 91 | Very high | 22 Ų | 22 | 60.8 Ų | 60.8 | 14% | 0.135 | 32% | 0.321 | C | S | . | . | trans | -75.4 | 140.6 | 176.5 | -48 | 0 | 0 | 0 | 0 | 111.6 | N97 N98 D104 M105 Q169 M170 | N97-T100 WeakPolarHBondContact OD1-CB 3.39Å; N97-T100 PolarHBondContact OD1-N 2.77Å; N97-T100 VanDerWaalsContact OD1-N 3.11Å; N97-T100 PolarHBondContact OD1-OG1 3.4Å; N98-T100 PolarHBondContact O-N 2.88Å; T100-D104 HydrophobicContact CG2-CB 3.9Å; T100-M105 HydrophobicContact CG2-CB 4.46Å; T100-M105 HydrophobicContact CG2-CE 4.34Å; T100-Q169 VanDerWaalsContact CA-OE1 3.28Å; T100-Q169 VanDerWaalsContact CG2-OE1 3.25Å; T100-M170 HydrophobicContact CG2-CE 4.23Å; T100-M170 VanDerWaalsContact OG1-CE 3.26Å; T100-M170 WeakPolarHBondContact OG1-CE 3.45Å | ||
| 101 | N | 89.8 | Confident | 91 | Very high | 100 Ų | 100 | 59 Ų | 59 | 54% | 0.535 | 31% | 0.31 | S | S | . | . | trans | -63.7 | 154 | 171.3 | -74.8 | -33.7 | 0 | 0 | 0 | 111.7 | E103 D104 M105 | N101-E103 PolarHBondContact O-N 3.16Å; N101-D104 HydrophobicContact CB-CB 4.29Å; N101-D104 PolarHBondContact O-N 3.04Å; N101-M105 WeakPolarHBondContact O-CB 3.38Å; N101-M105 PolarHBondContact O-N 3.38Å | ||
| 102 | S | 89.6 | Confident | 91 | Very high | 102 Ų | 102 | 58.9 Ų | 58.9 | 71% | 0.713 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.4 | -38.4 | 178.6 | 51.8 | 0 | 0 | 0 | 0 | 112.9 | M105 L106 | S102-M105 PolarHBondContact O-N 3.08Å; S102-L106 PolarHBondContact O-N 3.36Å |
| 103 | E | 91.4 | Very high | 91 | Very high | 152 Ų | 152 | 64.6 Ų | 64.6 | 71% | 0.71 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.4 | -48.4 | 177.5 | -63.1 | -179.1 | -176.3 | 0 | 0 | 111.4 | N101 M105 L106 L107 | N101-E103 PolarHBondContact O-N 3.16Å; E103-M105 VanDerWaalsContact C-N 3.3Å; E103-M105 PolarHBondContact O-N 3.22Å; E103-L106 WeakPolarHBondContact O-CB 3.26Å; E103-L106 PolarHBondContact O-N 3.19Å; E103-L106 VanDerWaalsContact O-N 3.1Å; E103-L107 WeakPolarHBondContact O-CG 3.44Å; E103-L107 PolarHBondContact O-N 3.14Å |
| 104 | D | 89.3 | Confident | 90.8 | Very high | 56 Ų | 56 | 71.7 Ų | 71.7 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 177 | -69.3 | -37 | 0 | 0 | 0 | 111.6 | T100 N101 L106 L107 L108 | T100-D104 HydrophobicContact CG2-CB 3.9Å; N101-D104 HydrophobicContact CB-CB 4.29Å; N101-D104 PolarHBondContact O-N 3.04Å; D104-L106 VanDerWaalsContact C-N 3.35Å; D104-L106 PolarHBondContact O-N 2.96Å; D104-L107 PolarHBondContact O-N 3.48Å; D104-L108 VanDerWaalsContact O-CB 3.29Å; D104-L108 WeakPolarHBondContact O-CB 3.45Å; D104-L108 PolarHBondContact O-N 3.43Å |
| 105 | M | 89 | Confident | 90.6 | Very high | 30 Ų | 30 | 74.4 Ų | 74.4 | 15% | 0.148 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 174 | -176.5 | 70.2 | 68.1 | 0 | 0 | 111.9 | T100 N101 S102 E103 L108 K109 F121 M170 | T100-M105 HydrophobicContact CG2-CB 4.46Å; T100-M105 HydrophobicContact CG2-CE 4.34Å; N101-M105 WeakPolarHBondContact O-CB 3.38Å; N101-M105 PolarHBondContact O-N 3.38Å; S102-M105 PolarHBondContact O-N 3.08Å; E103-M105 VanDerWaalsContact C-N 3.3Å; E103-M105 PolarHBondContact O-N 3.22Å; M105-L108 PolarHBondContact O-N 3.47Å; M105-K109 VanDerWaalsContact O-CB 3.28Å; M105-K109 WeakPolarHBondContact O-CB 3.38Å; M105-K109 PolarHBondContact O-N 2.84Å; M105-F121 HydrophobicContact CE-CE1 4.42Å; M105-F121 HydrophobicContact CE-CZ 3.93Å; M105-F121 HydrophobicContact SD-CZ 3.9Å; M105-M170 HydrophobicContact CE-CE 3.14Å; M105-M170 HydrophobicContact SD-CE 3.72Å |
| 106 | L | 91.8 | Very high | 90.5 | Very high | 119 Ų | 119 | 76.6 Ų | 76.6 | 62% | 0.623 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -66 | -45.2 | 179.2 | -169.4 | 156.2 | 0 | 0 | 0 | 110.7 | S102 E103 D104 L108 K109 H110 | S102-L106 PolarHBondContact O-N 3.36Å; E103-L106 WeakPolarHBondContact O-CB 3.26Å; E103-L106 PolarHBondContact O-N 3.19Å; E103-L106 VanDerWaalsContact O-N 3.1Å; D104-L106 VanDerWaalsContact C-N 3.35Å; D104-L106 PolarHBondContact O-N 2.96Å; L106-L108 PolarHBondContact O-N 3.49Å; L106-K109 PolarHBondContact O-N 3.22Å; L106-H110 PolarHBondContact O-N 3.18Å |
| 107 | L | 91.8 | Very high | 90.5 | Very high | 83 Ų | 83 | 73.6 Ų | 73.6 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 175.3 | -69.5 | 175.1 | 0 | 0 | 0 | 111.7 | E103 D104 H110 R111 | E103-L107 WeakPolarHBondContact O-CG 3.44Å; E103-L107 PolarHBondContact O-N 3.14Å; D104-L107 PolarHBondContact O-N 3.48Å; L107-H110 PolarHBondContact O-N 2.95Å; L107-R111 WeakPolarHBondContact O-CG 3.33Å; L107-R111 PolarHBondContact O-N 3.05Å |
| 108 | L | 91.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 176.9 | -177.6 | 63.5 | 0 | 0 | 0 | 111.5 | D104 M105 L106 H110 R111 L112 I119 F150 M170 | D104-L108 VanDerWaalsContact O-CB 3.29Å; D104-L108 WeakPolarHBondContact O-CB 3.45Å; D104-L108 PolarHBondContact O-N 3.43Å; M105-L108 PolarHBondContact O-N 3.47Å; L106-L108 PolarHBondContact O-N 3.49Å; L108-H110 VanDerWaalsContact C-N 3.32Å; L108-H110 PolarHBondContact O-N 3.15Å; L108-R111 PolarHBondContact O-N 3.14Å; L108-L112 HydrophobicContact CD1-CD1 4.02Å; L108-L112 HydrophobicContact CD1-CG 4.35Å; L108-L112 HydrophobicContact CG-CD1 3.87Å; L108-L112 WeakPolarHBondContact O-CB 3.42Å; L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 2.86Å; L108-I119 HydrophobicContact CG-CD1 4.49Å; L108-F150 HydrophobicContact CD2-CZ 4.24Å; L108-M170 HydrophobicContact CD2-CE 4.3Å; L108-M170 HydrophobicContact CD2-CG 3.83Å |
| 109 | K | 91.4 | Very high | 90.7 | Very high | 129 Ų | 129 | 75 Ų | 75 | 56% | 0.561 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.9 | -42.7 | 175.7 | -172.7 | 179.1 | 177.5 | -175.8 | 0 | 111.4 | M105 L106 H113 I119 | M105-K109 VanDerWaalsContact O-CB 3.28Å; M105-K109 WeakPolarHBondContact O-CB 3.38Å; M105-K109 PolarHBondContact O-N 2.84Å; L106-K109 PolarHBondContact O-N 3.22Å; K109-H113 VanDerWaalsContact O-CB 3.26Å; K109-H113 WeakPolarHBondContact O-CB 3.13Å; K109-H113 PolarHBondContact O-N 3.3Å; K109-I119 HydrophobicContact CB-CD1 3.87Å; K109-I119 HydrophobicContact CG-CD1 4.24Å |
| 110 | H | 92.9 | Very high | 91.1 | Very high | 105 Ų | 105 | 75.3 Ų | 75.3 | 49% | 0.486 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 177 | -178.7 | 71.1 | 0 | 0 | 0 | 111.9 | L106 L107 L108 H113 K114 | L106-H110 PolarHBondContact O-N 3.18Å; L107-H110 PolarHBondContact O-N 2.95Å; L108-H110 VanDerWaalsContact C-N 3.32Å; L108-H110 PolarHBondContact O-N 3.15Å; H110-H113 PolarHBondContact O-N 2.89Å; H110-K114 WeakPolarHBondContact NE2-CE 3.26Å; H110-K114 PolarHBondContact O-N 3.25Å |
| 111 | R | 91.4 | Very high | 91.4 | Very high | 86 Ų | 86 | 80.2 Ų | 80.2 | 33% | 0.325 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 176.8 | -70.6 | 176.3 | -170.9 | 154.4 | 2.9 | 112 | L107 L108 H113 K114 H115 T166 | L107-R111 WeakPolarHBondContact O-CG 3.33Å; L107-R111 PolarHBondContact O-N 3.05Å; L108-R111 PolarHBondContact O-N 3.14Å; R111-H113 VanDerWaalsContact C-N 3.28Å; R111-H113 PolarHBondContact O-N 3Å; R111-K114 WeakPolarHBondContact O-CB 3.45Å; R111-K114 PolarHBondContact O-N 3.11Å; R111-H115 PolarHBondContact O-CD2 3.41Å; R111-H115 VanDerWaalsContact O-CD2 3.25Å; R111-T166 VanDerWaalsContact NH1-CB 3.34Å |
| 112 | L | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.7 | -34.5 | 178.8 | -72.7 | 168.3 | 0 | 0 | 0 | 112.1 | L108 K114 H115 G116 I117 I119 F150 M160 | L108-L112 HydrophobicContact CD1-CD1 4.02Å; L108-L112 HydrophobicContact CD1-CG 4.35Å; L108-L112 HydrophobicContact CG-CD1 3.87Å; L108-L112 WeakPolarHBondContact O-CB 3.42Å; L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 2.86Å; L112-K114 VanDerWaalsContact C-N 3.33Å; L112-K114 PolarHBondContact O-N 2.77Å; L112-H115 CarbonylContact O-C 3.34Å; L112-H115 PolarHBondContact O-N 3.25Å; L112-H115 VanDerWaalsContact O-N 3.11Å; L112-G116 PolarHBondContact O-N 3.05Å; L112-I117 CarbonylContact C-O 3.51Å; L112-I117 HydrophobicContact CB-CB 4.06Å; L112-I117 HydrophobicContact CB-CG2 4.34Å; L112-I117 HydrophobicContact CD2-CB 4.11Å; L112-I117 HydrophobicContact CD2-CD1 3.81Å; L112-I117 HydrophobicContact CD2-CG2 4.06Å; L112-I117 PolarHBondContact O-N 2.92Å; L112-I119 HydrophobicContact CD1-CD1 3.75Å; L112-I119 HydrophobicContact CD1-CG1 3.83Å; L112-F150 HydrophobicContact CD1-CD1 4.38Å; L112-F150 HydrophobicContact CD1-CD2 3.94Å; L112-F150 HydrophobicContact CD1-CE1 3.93Å; L112-F150 HydrophobicContact CD1-CE2 3.4Å; L112-F150 HydrophobicContact CD1-CG 4.41Å; L112-F150 HydrophobicContact CD1-CZ 3.42Å; L112-F150 VanDerWaalsContact CD1-CZ 3.42Å; L112-F150 HydrophobicContact CD2-CD2 4.32Å; L112-F150 HydrophobicContact CD2-CE2 4.2Å; L112-F150 HydrophobicContact CG-CE2 4.47Å; L112-M160 HydrophobicContact CD2-CG 4.44Å |
| 113 | H | 92.3 | Very high | 91.7 | Very high | 127 Ų | 127 | 75.5 Ų | 75.5 | 59% | 0.588 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.5 | -34.3 | 176.4 | -166.9 | -84.3 | 0 | 0 | 0 | 112.9 | K109 H110 R111 H115 G116 | K109-H113 VanDerWaalsContact O-CB 3.26Å; K109-H113 WeakPolarHBondContact O-CB 3.13Å; K109-H113 PolarHBondContact O-N 3.3Å; H110-H113 PolarHBondContact O-N 2.89Å; R111-H113 VanDerWaalsContact C-N 3.28Å; R111-H113 PolarHBondContact O-N 3Å; H113-H115 PolarHBondContact O-N 3.23Å; H113-G116 PolarHBondContact O-N 2.92Å |
| 114 | K | 91.7 | Very high | 91.7 | Very high | 148 Ų | 148 | 70.2 Ų | 70.2 | 64% | 0.643 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58 | -32.7 | 173.8 | -66.3 | -176.7 | -178.3 | -174.1 | 0 | 112.2 | H110 R111 L112 | H110-K114 WeakPolarHBondContact NE2-CE 3.26Å; H110-K114 PolarHBondContact O-N 3.25Å; R111-K114 WeakPolarHBondContact O-CB 3.45Å; R111-K114 PolarHBondContact O-N 3.11Å; L112-K114 VanDerWaalsContact C-N 3.33Å; L112-K114 PolarHBondContact O-N 2.77Å |
| 115 | H | 90.4 | Very high | 91.8 | Very high | 58 Ų | 58 | 75.5 Ų | 75.5 | 27% | 0.269 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 3.4 | 179.2 | -61.3 | -65 | 0 | 0 | 0 | 113.2 | R111 L112 H113 I117 E159 | R111-H115 PolarHBondContact O-CD2 3.41Å; R111-H115 VanDerWaalsContact O-CD2 3.25Å; L112-H115 CarbonylContact O-C 3.34Å; L112-H115 PolarHBondContact O-N 3.25Å; L112-H115 VanDerWaalsContact O-N 3.11Å; H113-H115 PolarHBondContact O-N 3.23Å; H115-I117 VanDerWaalsContact C-N 3.31Å; H115-I117 HydrophobicContact CB-CD1 4.19Å; H115-I117 HydrophobicContact CB-CG1 4.44Å; H115-E159 HydrophobicContact CB-CB 4.27Å; H115-E159 VanDerWaalsContact CB-OE2 3.3Å; H115-E159 WeakPolarHBondContact CB-OE2 3.43Å; H115-E159 IonicContact CE1-OE1 3.25Å; H115-E159 IonicContact CE1-OE2 2.77Å; H115-E159 IonicContact CG-OE2 3.63Å; H115-E159 IonicContact ND1-OE1 2.77Å; H115-E159 PolarHBondContact ND1-OE1 3.34Å; H115-E159 IonicContact ND1-OE2 3.21Å; H115-E159 PolarHBondContact ND1-OE2 3.44Å |
| 116 | G | 90.1 | Very high | 91.9 | Very high | 45 Ų | 45 | 74.5 Ų | 74.5 | 46% | 0.464 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 13 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L112 H113 | L112-G116 PolarHBondContact O-N 3.05Å; H113-G116 PolarHBondContact O-N 2.92Å |
| 117 | I | 94 | Very high | 91.9 | Very high | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -91 | 123.6 | 179 | -58.2 | 163.8 | 0 | 0 | 0 | 108.9 | M91 L112 H115 F150 M160 | M91-I117 HydrophobicContact CE-CD1 4.34Å; M91-I117 HydrophobicContact CE-CG1 4.33Å; L112-I117 CarbonylContact C-O 3.51Å; L112-I117 HydrophobicContact CB-CB 4.06Å; L112-I117 HydrophobicContact CB-CG2 4.34Å; L112-I117 HydrophobicContact CD2-CB 4.11Å; L112-I117 HydrophobicContact CD2-CD1 3.81Å; L112-I117 HydrophobicContact CD2-CG2 4.06Å; L112-I117 PolarHBondContact O-N 2.92Å; H115-I117 VanDerWaalsContact C-N 3.31Å; H115-I117 HydrophobicContact CB-CD1 4.19Å; H115-I117 HydrophobicContact CB-CG1 4.44Å; I117-F150 HydrophobicContact CG2-CB 3.84Å; I117-F150 HydrophobicContact CG2-CD2 4.42Å; I117-F150 HydrophobicContact CG2-CG 4.23Å; I117-M160 HydrophobicContact CD1-CB 3.79Å; I117-M160 HydrophobicContact CD1-CG 4.33Å |
| 118 | K | 92.9 | Very high | 91.9 | Very high | 113 Ų | 113 | 70.8 Ų | 70.8 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 131.5 | 179.4 | -64.7 | -178.4 | -178.3 | 179.3 | 0 | 110.3 | V151 | K118-V151 PolarHBondContact N-O 3.34Å; K118-V151 PolarHBondContact O-N 2.93Å |
| 119 | I | 92.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 72.5 Ų | 72.5 | 9% | 0.087 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 129.8 | 170.8 | -52.1 | -176.2 | 0 | 0 | 0 | 109 | L108 K109 L112 F121 V148 L149 F150 | L108-I119 HydrophobicContact CG-CD1 4.49Å; K109-I119 HydrophobicContact CB-CD1 3.87Å; K109-I119 HydrophobicContact CG-CD1 4.24Å; L112-I119 HydrophobicContact CD1-CD1 3.75Å; L112-I119 HydrophobicContact CD1-CG1 3.83Å; I119-F121 HydrophobicContact CG2-CE2 3.91Å; I119-F121 HydrophobicContact CG2-CZ 4.11Å; I119-V148 HydrophobicContact CG2-CG1 3.33Å; I119-L149 WeakPolarHBondContact CA-O 3.36Å; I119-F150 HydrophobicContact CB-CD1 4.38Å; I119-F150 HydrophobicContact CB-CE1 4.37Å; I119-F150 HydrophobicContact CD1-CE1 3.96Å; I119-F150 HydrophobicContact CD1-CZ 4.45Å; I119-F150 HydrophobicContact CG1-CD1 3.93Å; I119-F150 HydrophobicContact CG1-CE1 3.73Å; I119-F150 HydrophobicContact CG2-CD1 4.23Å; I119-F150 HydrophobicContact CG2-CE1 4.01Å |
| 120 | K | 92.6 | Very high | 91.9 | Very high | 88 Ų | 88 | 67.6 Ų | 67.6 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 135.7 | 176.7 | -67.5 | -68.2 | -172.3 | 167.5 | 0 | 111.1 | M85 I122 L149 V151 | M85-K120 HydrophobicContact CE-CD 4.39Å; M85-K120 HydrophobicContact CE-CG 3.9Å; M85-K120 HydrophobicContact SD-CD 4.22Å; M85-K120 HydrophobicContact SD-CG 3.95Å; K120-I122 HydrophobicContact CB-CD1 4.09Å; K120-L149 HydrophobicContact CB-CB 4.37Å; K120-L149 PolarHBondContact N-O 2.93Å; K120-L149 PolarHBondContact O-N 3.12Å; K120-V151 HydrophobicContact CG-CG2 4.48Å |
| 121 | F | 91.9 | Very high | 91.8 | Very high | 125 Ų | 125 | 62.8 Ų | 62.8 | 55% | 0.548 | 30% | 0.301 | S | S | . | . | trans | -107.5 | 118.7 | 173 | -62 | -87.1 | 0 | 0 | 0 | 107.8 | M105 I119 V148 | M105-F121 HydrophobicContact CE-CE1 4.42Å; M105-F121 HydrophobicContact CE-CZ 3.93Å; M105-F121 HydrophobicContact SD-CZ 3.9Å; I119-F121 HydrophobicContact CG2-CE2 3.91Å; I119-F121 HydrophobicContact CG2-CZ 4.11Å; F121-V148 HydrophobicContact CD1-CB 4.5Å; F121-V148 HydrophobicContact CD1-CG1 4.21Å; F121-V148 HydrophobicContact CD1-CG2 3.76Å; F121-V148 HydrophobicContact CE1-CB 4.25Å; F121-V148 HydrophobicContact CE1-CG1 3.88Å; F121-V148 HydrophobicContact CE1-CG2 3.35Å; F121-V148 HydrophobicContact CZ-CG1 4.13Å; F121-V148 HydrophobicContact CZ-CG2 4.25Å | ||
| 122 | I | 91.9 | Very high | 91.7 | Very high | 28 Ų | 28 | 61.9 Ų | 61.9 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | trans | -127 | 136.5 | 178.8 | -70.8 | 131.7 | 0 | 0 | 0 | 107.8 | L82 K120 N124 M127 L149 | L82-I122 HydrophobicContact CD1-CG2 4.14Å; L82-I122 HydrophobicContact CD2-CD1 3.43Å; L82-I122 VanDerWaalsContact CD2-CD1 3.43Å; L82-I122 HydrophobicContact CD2-CG1 3.9Å; L82-I122 HydrophobicContact CD2-CG2 4.16Å; K120-I122 HydrophobicContact CB-CD1 4.09Å; I122-N124 PolarHBondContact O-N 3.45Å; I122-M127 HydrophobicContact CD1-CE 4.35Å; I122-M127 HydrophobicContact CG2-CB 4.15Å; I122-L149 HydrophobicContact CD1-CD1 3.38Å; I122-L149 HydrophobicContact CD1-CG 4.46Å | ||
| 123 | P | 91.9 | Very high | 91.4 | Very high | 74 Ų | 74 | 68.1 Ų | 68.1 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | trans | -59.9 | 132.4 | 174.9 | -22.5 | 33 | 0 | 0 | 0 | 111.8 | Q125 V126 M127 | P123-Q125 PolarHBondContact O-N 3.37Å; P123-V126 HydrophobicContact CB-CG2 4.24Å; P123-V126 PolarHBondContact O-N 2.9Å; P123-V126 VanDerWaalsContact O-N 3.13Å; P123-M127 PolarHBondContact O-N 3.38Å | ||
| 124 | N | 92.8 | Very high | 91.1 | Very high | 42 Ų | 42 | 62.7 Ų | 62.7 | 23% | 0.225 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.6 | -33.5 | -177.7 | -64.6 | -16.1 | 0 | 0 | 0 | 113.2 | I122 M127 R128 G145 T147 | I122-N124 PolarHBondContact O-N 3.45Å; N124-M127 PolarHBondContact O-N 2.63Å; N124-R128 WeakPolarHBondContact O-CB 3.33Å; N124-R128 VanDerWaalsContact O-CG 3.3Å; N124-R128 WeakPolarHBondContact O-CG 3.38Å; N124-R128 PolarHBondContact O-N 3.46Å; N124-G145 PolarHBondContact ND2-O 3.09Å; N124-T147 PolarHBondContact OD1-OG1 3.22Å |
| 125 | Q | 90.4 | Very high | 90.8 | Very high | 167 Ų | 167 | 61 Ų | 61 | 78% | 0.78 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 179.1 | -174.6 | 175.8 | 1.1 | 0 | 0 | 111.3 | P123 R128 S129 | P123-Q125 PolarHBondContact O-N 3.37Å; Q125-R128 PolarHBondContact O-N 2.85Å; Q125-S129 PolarHBondContact O-N 2.91Å; Q125-S129 VanDerWaalsContact O-N 3.08Å; Q125-S129 PolarHBondContact O-OG 3.06Å |
| 126 | V | 91.9 | Very high | 90.5 | Very high | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.048 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 177 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | V75 L78 K79 L82 P123 R128 S129 Y130 | V75-V126 HydrophobicContact CG1-CG1 4.41Å; V75-V126 HydrophobicContact CG1-CG2 4.18Å; V75-V126 HydrophobicContact CG2-CG2 4.04Å; L78-V126 HydrophobicContact CB-CG1 3.88Å; L78-V126 HydrophobicContact CD1-CG2 4.27Å; K79-V126 HydrophobicContact CG-CG1 4.13Å; L82-V126 HydrophobicContact CD1-CG1 4.17Å; P123-V126 HydrophobicContact CB-CG2 4.24Å; P123-V126 PolarHBondContact O-N 2.9Å; P123-V126 VanDerWaalsContact O-N 3.13Å; V126-R128 PolarHBondContact O-N 3.31Å; V126-S129 WeakPolarHBondContact CA-OG 3.04Å; V126-S129 PolarHBondContact O-N 3.36Å; V126-S129 PolarHBondContact O-OG 3.37Å; V126-Y130 PolarHBondContact O-N 2.88Å |
| 127 | M | 92.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.7 | -44.9 | 178.6 | -176.9 | 57.9 | 93.6 | 0 | 0 | 112 | L82 F86 I122 P123 N124 S129 Y130 L131 F143 L149 | L82-M127 HydrophobicContact CD1-SD 4.21Å; L82-M127 HydrophobicContact CD2-CE 3.91Å; L82-M127 HydrophobicContact CD2-SD 4.49Å; F86-M127 HydrophobicContact CE2-CE 4.06Å; F86-M127 HydrophobicContact CE2-SD 4.19Å; F86-M127 HydrophobicContact CZ-CE 4.29Å; F86-M127 HydrophobicContact CZ-SD 4.36Å; I122-M127 HydrophobicContact CD1-CE 4.35Å; I122-M127 HydrophobicContact CG2-CB 4.15Å; P123-M127 PolarHBondContact O-N 3.38Å; N124-M127 PolarHBondContact O-N 2.63Å; M127-S129 PolarHBondContact O-N 2.93Å; M127-Y130 PolarHBondContact O-N 3.35Å; M127-Y130 HydrophobicContact SD-CD1 4.33Å; M127-L131 HydrophobicContact CG-CD1 3.68Å; M127-L131 HydrophobicContact CG-CG 4.18Å; M127-L131 WeakPolarHBondContact O-CB 3.46Å; M127-L131 WeakPolarHBondContact O-CG 3.46Å; M127-L131 PolarHBondContact O-N 3.32Å; M127-L131 HydrophobicContact SD-CD1 3.91Å; M127-L131 HydrophobicContact SD-CD2 4.25Å; M127-L131 HydrophobicContact SD-CG 3.87Å; M127-F143 HydrophobicContact CB-CD1 4.43Å; M127-F143 HydrophobicContact CE-CE1 3.96Å; M127-F143 HydrophobicContact CE-CZ 3.86Å; M127-F143 HydrophobicContact CG-CD1 3.74Å; M127-F143 HydrophobicContact CG-CD2 3.8Å; M127-F143 HydrophobicContact CG-CE1 3.7Å; M127-F143 HydrophobicContact CG-CE2 3.77Å; M127-F143 HydrophobicContact CG-CG 3.79Å; M127-F143 HydrophobicContact CG-CZ 3.71Å; M127-F143 HydrophobicContact SD-CE2 4.39Å; M127-F143 HydrophobicContact SD-CZ 4.16Å; M127-L149 HydrophobicContact CE-CD1 3.18Å; M127-L149 HydrophobicContact CE-CD2 4.42Å; M127-L149 HydrophobicContact CE-CG 4.27Å |
| 128 | R | 91.3 | Very high | 90.2 | Very high | 124 Ų | 124 | 68.7 Ų | 68.7 | 47% | 0.468 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 177.4 | -74.5 | -178 | -172.5 | -171.1 | 3.7 | 112.6 | N124 Q125 V126 Y130 L131 A132 F143 | N124-R128 WeakPolarHBondContact O-CB 3.33Å; N124-R128 VanDerWaalsContact O-CG 3.3Å; N124-R128 WeakPolarHBondContact O-CG 3.38Å; N124-R128 PolarHBondContact O-N 3.46Å; Q125-R128 PolarHBondContact O-N 2.85Å; V126-R128 PolarHBondContact O-N 3.31Å; R128-Y130 VanDerWaalsContact C-N 3.34Å; R128-L131 PolarHBondContact O-N 2.85Å; R128-A132 PolarHBondContact O-N 2.89Å; R128-A132 VanDerWaalsContact O-N 3.11Å; R128-F143 PolarHBondContact NE-O 3.48Å; R128-F143 VanDerWaalsContact NE-O 3.16Å; R128-F143 PolarHBondContact NH2-O 2.93Å |
| 129 | S | 90.6 | Very high | 90 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175 | 66.8 | 0 | 0 | 0 | 0 | 111.6 | K79 Q125 V126 M127 A132 | K79-S129 WeakPolarHBondContact CE-OG 3.38Å; Q125-S129 PolarHBondContact O-N 2.91Å; Q125-S129 VanDerWaalsContact O-N 3.08Å; Q125-S129 PolarHBondContact O-OG 3.06Å; V126-S129 WeakPolarHBondContact CA-OG 3.04Å; V126-S129 PolarHBondContact O-N 3.36Å; V126-S129 PolarHBondContact O-OG 3.37Å; M127-S129 PolarHBondContact O-N 2.93Å; S129-A132 PolarHBondContact O-N 3.14Å |
| 130 | Y | 91.7 | Very high | 89.8 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 11% | 0.106 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 177.3 | 174.6 | -99.7 | 0 | 0 | 0 | 112.8 | L82 Q83 F86 V126 M127 R128 A132 D133 S134 | L82-Y130 HydrophobicContact CB-CD1 4.17Å; L82-Y130 HydrophobicContact CB-CD2 4.18Å; L82-Y130 HydrophobicContact CB-CE1 4.26Å; L82-Y130 HydrophobicContact CB-CE2 4.27Å; L82-Y130 HydrophobicContact CB-CG 4.14Å; L82-Y130 HydrophobicContact CD1-CD1 4.2Å; L82-Y130 HydrophobicContact CD1-CG 4Å; Q83-Y130 WeakPolarHBondContact CA-OH 3.4Å; Q83-Y130 HydrophobicContact CB-CE2 4.02Å; F86-Y130 HydrophobicContact CD2-CD1 4.38Å; F86-Y130 AromaticContact CD2-CE1 3.49Å; F86-Y130 HydrophobicContact CD2-CE1 3.49Å; F86-Y130 VanDerWaalsContact CD2-CE1 3.49Å; F86-Y130 HydrophobicContact CE2-CD1 4.13Å; F86-Y130 AromaticContact CE2-CE1 3.62Å; F86-Y130 HydrophobicContact CE2-CE1 3.62Å; F86-Y130 HydrophobicContact CG-CE1 4.08Å; F86-Y130 HydrophobicContact CZ-CE1 4.28Å; V126-Y130 PolarHBondContact O-N 2.88Å; M127-Y130 PolarHBondContact O-N 3.35Å; M127-Y130 HydrophobicContact SD-CD1 4.33Å; R128-Y130 VanDerWaalsContact C-N 3.34Å; Y130-A132 VanDerWaalsContact C-N 3.31Å; Y130-A132 PolarHBondContact O-N 2.8Å; Y130-D133 PolarHBondContact O-N 2.77Å; Y130-S134 VanDerWaalsContact O-CB 3.3Å; Y130-S134 WeakPolarHBondContact O-CB 3.39Å; Y130-S134 PolarHBondContact O-N 2.74Å |
| 131 | L | 90.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.016 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -71.5 | -24.4 | -179.1 | -68.9 | 172 | 0 | 0 | 0 | 113.5 | F86 M127 R128 D133 M139 F143 | F86-L131 HydrophobicContact CZ-CD2 4.28Å; M127-L131 HydrophobicContact CG-CD1 3.68Å; M127-L131 HydrophobicContact CG-CG 4.18Å; M127-L131 WeakPolarHBondContact O-CB 3.46Å; M127-L131 WeakPolarHBondContact O-CG 3.46Å; M127-L131 PolarHBondContact O-N 3.32Å; M127-L131 HydrophobicContact SD-CD1 3.91Å; M127-L131 HydrophobicContact SD-CD2 4.25Å; M127-L131 HydrophobicContact SD-CG 3.87Å; R128-L131 PolarHBondContact O-N 2.85Å; L131-D133 VanDerWaalsContact C-N 3.27Å; L131-M139 HydrophobicContact CD1-CB 4.27Å; L131-M139 HydrophobicContact CD2-CB 4.48Å; L131-M139 HydrophobicContact CD2-CE 4.17Å; L131-F143 HydrophobicContact CD1-CD2 3.4Å; L131-F143 HydrophobicContact CD1-CE2 3.28Å; L131-F143 HydrophobicContact CD1-CZ 4.31Å |
| 132 | A | 88.5 | Confident | 89.6 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 55% | 0.554 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.1 | -34.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R128 S129 Y130 | R128-A132 PolarHBondContact O-N 2.89Å; R128-A132 VanDerWaalsContact O-N 3.11Å; S129-A132 PolarHBondContact O-N 3.14Å; Y130-A132 VanDerWaalsContact C-N 3.31Å; Y130-A132 PolarHBondContact O-N 2.8Å |
| 133 | D | 86.3 | Confident | 89.6 | Confident | 132 Ų | 132 | 58.2 Ų | 58.2 | 71% | 0.706 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -89.7 | -14.7 | -178.5 | -57.8 | -28 | 0 | 0 | 0 | 112.9 | Y130 L131 | Y130-D133 PolarHBondContact O-N 2.77Å; L131-D133 VanDerWaalsContact C-N 3.27Å |
| 134 | S | 86.3 | Confident | 89.4 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 8% | 0.084 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -101.6 | 156.3 | -171.5 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | Y130 Y136 I137 | Y130-S134 VanDerWaalsContact O-CB 3.3Å; Y130-S134 WeakPolarHBondContact O-CB 3.39Å; Y130-S134 PolarHBondContact O-N 2.74Å; S134-Y136 PolarHBondContact O-N 2.92Å; S134-Y136 WeakPolarHBondContact OG-CD2 3.49Å; S134-I137 VanDerWaalsContact O-CG1 3.22Å; S134-I137 WeakPolarHBondContact O-CG1 3.41Å |
| 135 | P | 85.3 | Confident | 89.2 | Confident | 114 Ų | 114 | 60 Ų | 60 | 74% | 0.74 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -3.4 | 173.1 | 24.2 | -37.7 | 0 | 0 | 0 | 115.4 | I137 | P135-I137 VanDerWaalsContact C-N 3.35Å; P135-I137 PolarHBondContact O-N 3.14Å |
| 136 | Y | 85.8 | Confident | 89.2 | Confident | 36 Ų | 36 | 58 Ų | 58 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 30.2 | -176.6 | -55.3 | -59.7 | 0 | 0 | 0 | 112.9 | F86 S134 N138 M139 K179 | F86-Y136 HydrophobicContact CB-CE2 4.41Å; F86-Y136 AromaticContact CD1-CD2 3.56Å; F86-Y136 HydrophobicContact CD1-CD2 3.56Å; F86-Y136 AromaticContact CD1-CE2 3.39Å; F86-Y136 HydrophobicContact CD1-CE2 3.39Å; F86-Y136 AromaticContact CE1-CD2 3.66Å; F86-Y136 HydrophobicContact CE1-CD2 3.66Å; F86-Y136 AromaticContact CE1-CE2 3.96Å; F86-Y136 HydrophobicContact CE1-CE2 3.96Å; F86-Y136 HydrophobicContact CE1-CG 4.27Å; F86-Y136 HydrophobicContact CG-CD2 4.47Å; F86-Y136 HydrophobicContact CG-CE2 4.23Å; S134-Y136 PolarHBondContact O-N 2.92Å; S134-Y136 WeakPolarHBondContact OG-CD2 3.49Å; Y136-N138 PolarHBondContact O-N 2.74Å; Y136-N138 VanDerWaalsContact O-N 3.09Å; Y136-M139 HydrophobicContact CG-CE 4.48Å; Y136-M139 WeakPolarHBondContact O-CB 3.48Å; Y136-M139 PolarHBondContact O-N 3.28Å; Y136-K179 HydrophobicContact CE1-CB 4.17Å; Y136-K179 HydrophobicContact CE1-CG 4.29Å |
| 137 | I | 88.6 | Confident | 89.3 | Confident | 106 Ų | 106 | 58.2 Ų | 58.2 | 54% | 0.544 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -50.9 | -38.6 | -178.8 | -54.7 | 178.7 | 0 | 0 | 0 | 111.4 | S134 P135 M139 G140 | S134-I137 VanDerWaalsContact O-CG1 3.22Å; S134-I137 WeakPolarHBondContact O-CG1 3.41Å; P135-I137 VanDerWaalsContact C-N 3.35Å; P135-I137 PolarHBondContact O-N 3.14Å; I137-M139 PolarHBondContact O-N 3.3Å; I137-M139 VanDerWaalsContact O-N 3.09Å; I137-G140 PolarHBondContact O-N 3.28Å |
| 138 | N | 89.2 | Confident | 89.3 | Confident | 123 Ų | 123 | 58.3 Ų | 58.3 | 66% | 0.658 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -62.9 | -16.9 | -179.3 | -63.3 | -18.6 | 0 | 0 | 0 | 114.1 | Y136 P141 L181 | Y136-N138 PolarHBondContact O-N 2.74Å; Y136-N138 VanDerWaalsContact O-N 3.09Å; N138-P141 WeakPolarHBondContact O-CD 3.13Å; N138-L181 HydrophobicContact CB-CD2 3.8Å |
| 139 | M | 88.2 | Confident | 89.4 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -82.7 | -15.9 | 173.4 | -66.5 | -148.3 | -60.4 | 0 | 0 | 113.6 | F86 V94 L131 Y136 I137 P141 L142 F143 C176 L181 | F86-M139 HydrophobicContact CE1-CE 3.54Å; F86-M139 HydrophobicContact CZ-CE 3.72Å; V94-M139 HydrophobicContact CG2-SD 4.31Å; L131-M139 HydrophobicContact CD1-CB 4.27Å; L131-M139 HydrophobicContact CD2-CB 4.48Å; L131-M139 HydrophobicContact CD2-CE 4.17Å; Y136-M139 HydrophobicContact CG-CE 4.48Å; Y136-M139 WeakPolarHBondContact O-CB 3.48Å; Y136-M139 PolarHBondContact O-N 3.28Å; I137-M139 PolarHBondContact O-N 3.3Å; I137-M139 VanDerWaalsContact O-N 3.09Å; M139-P141 VanDerWaalsContact C-CD 3.44Å; M139-L142 HydrophobicContact CB-CD1 4.43Å; M139-L142 HydrophobicContact CG-CD1 4.46Å; M139-L142 WeakPolarHBondContact O-CB 3.45Å; M139-L142 PolarHBondContact O-N 3.2Å; M139-F143 HydrophobicContact CB-CE2 4.04Å; M139-F143 VanDerWaalsContact O-CD2 3.23Å; M139-F143 WeakPolarHBondContact O-CD2 3.45Å; M139-F143 WeakPolarHBondContact O-CE2 3.19Å; M139-C176 HydrophobicContact CE-CB 4.43Å; M139-C176 HydrophobicContact SD-CB 3.71Å; M139-L181 HydrophobicContact CG-CD1 3.73Å; M139-L181 HydrophobicContact CG-CD2 4.49Å; M139-L181 HydrophobicContact SD-CD1 4.11Å |
| 140 | G | 88 | Confident | 89.6 | Confident | 17 Ų | 17 | 51 Ų | 51 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -44 | -49.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | I137 L142 F143 | I137-G140 PolarHBondContact O-N 3.28Å; G140-L142 PolarHBondContact O-N 3.44Å; G140-F143 PolarHBondContact O-N 3.11Å |
| 141 | P | 89.8 | Confident | 89.7 | Confident | 89 Ų | 89 | 50.1 Ų | 50.1 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -66.8 | -17.4 | -178.9 | 25.8 | -35.9 | 0 | 0 | 0 | 114.4 | N138 M139 F143 I144 | N138-P141 WeakPolarHBondContact O-CD 3.13Å; M139-P141 VanDerWaalsContact C-CD 3.44Å; P141-F143 VanDerWaalsContact C-N 3.26Å; P141-F143 PolarHBondContact O-N 3.42Å; P141-I144 VanDerWaalsContact O-CD1 3.29Å; P141-I144 WeakPolarHBondContact O-CD1 3.33Å; P141-I144 WeakPolarHBondContact O-CG1 3.3Å |
| 142 | L | 90.5 | Very high | 89.9 | Confident | 39 Ų | 39 | 50.2 Ų | 50.2 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -72.7 | -22.1 | 178 | -57.2 | 175.7 | 0 | 0 | 0 | 112.1 | V94 M139 G140 I144 T147 L173 L181 | V94-L142 HydrophobicContact CB-CB 4.38Å; V94-L142 HydrophobicContact CB-CD1 4.27Å; V94-L142 HydrophobicContact CG1-CB 3.96Å; V94-L142 HydrophobicContact CG2-CD1 4.11Å; M139-L142 HydrophobicContact CB-CD1 4.43Å; M139-L142 HydrophobicContact CG-CD1 4.46Å; M139-L142 WeakPolarHBondContact O-CB 3.45Å; M139-L142 PolarHBondContact O-N 3.2Å; G140-L142 PolarHBondContact O-N 3.44Å; L142-I144 VanDerWaalsContact C-N 3.32Å; L142-I144 PolarHBondContact O-N 3.48Å; L142-I144 VanDerWaalsContact O-N 3.13Å; L142-T147 WeakPolarHBondContact O-CG2 3.34Å; L142-L173 HydrophobicContact CD2-CB 4.18Å; L142-L181 HydrophobicContact CD1-CD1 4.25Å |
| 143 | F | 91 | Very high | 90 | Very high | 3 Ų | 3 | 53.7 Ų | 53.7 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | trans | -89.9 | 61.7 | -176.8 | -63.3 | -77.1 | 0 | 0 | 0 | 112.1 | V94 M127 R128 L131 M139 G140 P141 T147 L149 | V94-F143 HydrophobicContact CG1-CD1 4.43Å; V94-F143 HydrophobicContact CG1-CE1 3.97Å; V94-F143 HydrophobicContact CG1-CZ 4.2Å; V94-F143 HydrophobicContact CG2-CE1 4.24Å; V94-F143 HydrophobicContact CG2-CE2 4.33Å; V94-F143 HydrophobicContact CG2-CZ 3.71Å; M127-F143 HydrophobicContact CB-CD1 4.43Å; M127-F143 HydrophobicContact CE-CE1 3.96Å; M127-F143 HydrophobicContact CE-CZ 3.86Å; M127-F143 HydrophobicContact CG-CD1 3.74Å; M127-F143 HydrophobicContact CG-CD2 3.8Å; M127-F143 HydrophobicContact CG-CE1 3.7Å; M127-F143 HydrophobicContact CG-CE2 3.77Å; M127-F143 HydrophobicContact CG-CG 3.79Å; M127-F143 HydrophobicContact CG-CZ 3.71Å; M127-F143 HydrophobicContact SD-CE2 4.39Å; M127-F143 HydrophobicContact SD-CZ 4.16Å; R128-F143 PolarHBondContact NE-O 3.48Å; R128-F143 VanDerWaalsContact NE-O 3.16Å; R128-F143 PolarHBondContact NH2-O 2.93Å; L131-F143 HydrophobicContact CD1-CD2 3.4Å; L131-F143 HydrophobicContact CD1-CE2 3.28Å; L131-F143 HydrophobicContact CD1-CZ 4.31Å; M139-F143 HydrophobicContact CB-CE2 4.04Å; M139-F143 VanDerWaalsContact O-CD2 3.23Å; M139-F143 WeakPolarHBondContact O-CD2 3.45Å; M139-F143 WeakPolarHBondContact O-CE2 3.19Å; G140-F143 PolarHBondContact O-N 3.11Å; P141-F143 VanDerWaalsContact C-N 3.26Å; P141-F143 PolarHBondContact O-N 3.42Å; F143-T147 WeakPolarHBondContact CD1-OG1 3.26Å; F143-L149 HydrophobicContact CE1-CD2 3.68Å; F143-L149 HydrophobicContact CE1-CG 4.36Å; F143-L149 HydrophobicContact CZ-CD2 3.82Å | ||
| 144 | I | 89.1 | Confident | 90.1 | Very high | 109 Ų | 109 | 52.8 Ų | 52.8 | 56% | 0.559 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -120.1 | 125.6 | 173.9 | -58.3 | 168.1 | 0 | 0 | 0 | 108.1 | P141 L142 | P141-I144 VanDerWaalsContact O-CD1 3.29Å; P141-I144 WeakPolarHBondContact O-CD1 3.33Å; P141-I144 WeakPolarHBondContact O-CG1 3.3Å; L142-I144 VanDerWaalsContact C-N 3.32Å; L142-I144 PolarHBondContact O-N 3.48Å; L142-I144 VanDerWaalsContact O-N 3.13Å |
| 145 | G | 88.1 | Confident | 90.2 | Very high | 45 Ų | 45 | 54 Ų | 54 | 46% | 0.464 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 81.5 | -152.5 | 180 | 0 | 0 | 0 | 0 | 0 | 114.2 | N124 T147 | N124-G145 PolarHBondContact ND2-O 3.09Å; G145-T147 PolarHBondContact O-N 3.42Å; G145-T147 VanDerWaalsContact O-N 3.14Å |
| 146 | Q | 90.6 | Very high | 90.4 | Very high | 126 Ų | 126 | 52.2 Ų | 52.2 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -81.1 | 96 | -177.9 | -66.5 | -178.8 | 0.1 | 0 | 0 | 110.1 | N97 | N97-Q146 HydrophobicContact CB-CB 4.48Å; N97-Q146 PolarHBondContact N-O 2.86Å; N97-Q146 PolarHBondContact O-OE1 3.23Å |
| 147 | T | 93.1 | Very high | 90.6 | Very high | 12 Ų | 12 | 50.7 Ų | 50.7 | 7% | 0.074 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 148.9 | -179.5 | 67.7 | 0 | 0 | 0 | 0 | 112.3 | I95 N124 L142 F143 G145 | I95-T147 CarbonylContact O-C 3.55Å; I95-T147 WeakPolarHBondContact O-CA 3.39Å; N124-T147 PolarHBondContact OD1-OG1 3.22Å; L142-T147 WeakPolarHBondContact O-CG2 3.34Å; F143-T147 WeakPolarHBondContact CD1-OG1 3.26Å; G145-T147 PolarHBondContact O-N 3.42Å; G145-T147 VanDerWaalsContact O-N 3.14Å |
| 148 | V | 93.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.4 | -177.9 | -173.7 | 0 | 0 | 0 | 0 | 108.1 | I95 N97 I119 F121 F150 | I95-V148 PolarHBondContact N-O 2.82Å; I95-V148 PolarHBondContact O-N 3.31Å; N97-V148 HydrophobicContact CB-CG2 3.8Å; I119-V148 HydrophobicContact CG2-CG1 3.33Å; F121-V148 HydrophobicContact CD1-CB 4.5Å; F121-V148 HydrophobicContact CD1-CG1 4.21Å; F121-V148 HydrophobicContact CD1-CG2 3.76Å; F121-V148 HydrophobicContact CE1-CB 4.25Å; F121-V148 HydrophobicContact CE1-CG1 3.88Å; F121-V148 HydrophobicContact CE1-CG2 3.35Å; F121-V148 HydrophobicContact CZ-CG1 4.13Å; F121-V148 HydrophobicContact CZ-CG2 4.25Å; V148-F150 HydrophobicContact CG1-CD1 4.4Å; V148-F150 HydrophobicContact CG1-CE1 4.16Å |
| 149 | L | 93.7 | Very high | 90.7 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131 | 176.9 | -65 | 176.6 | 0 | 0 | 0 | 110.8 | I92 A93 V94 I119 K120 I122 M127 F143 V151 | I92-L149 HydrophobicContact CG2-CD2 4.07Å; A93-L149 WeakPolarHBondContact O-CA 3.21Å; V94-L149 HydrophobicContact CB-CD2 4.46Å; V94-L149 HydrophobicContact CG2-CD2 3.85Å; I119-L149 WeakPolarHBondContact CA-O 3.36Å; K120-L149 HydrophobicContact CB-CB 4.37Å; K120-L149 PolarHBondContact N-O 2.93Å; K120-L149 PolarHBondContact O-N 3.12Å; I122-L149 HydrophobicContact CD1-CD1 3.38Å; I122-L149 HydrophobicContact CD1-CG 4.46Å; M127-L149 HydrophobicContact CE-CD1 3.18Å; M127-L149 HydrophobicContact CE-CD2 4.42Å; M127-L149 HydrophobicContact CE-CG 4.27Å; F143-L149 HydrophobicContact CE1-CD2 3.68Å; F143-L149 HydrophobicContact CE1-CG 4.36Å; F143-L149 HydrophobicContact CZ-CD2 3.82Å; L149-V151 HydrophobicContact CB-CG2 4.02Å |
| 150 | F | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.2 | 163.4 | -70.9 | 4.2 | 0 | 0 | 0 | 108.3 | I92 A93 I95 L108 L112 I117 I119 V148 M160 L164 | I92-F150 CarbonylContact C-O 3.56Å; I92-F150 WeakPolarHBondContact CA-O 3.45Å; A93-F150 HydrophobicContact CB-CB 4.23Å; A93-F150 PolarHBondContact N-O 3.25Å; A93-F150 PolarHBondContact O-N 3.39Å; I95-F150 HydrophobicContact CD1-CB 4.25Å; I95-F150 HydrophobicContact CD1-CD1 3.75Å; I95-F150 HydrophobicContact CD1-CD2 3.08Å; I95-F150 HydrophobicContact CD1-CE1 3.7Å; I95-F150 HydrophobicContact CD1-CE2 3.05Å; I95-F150 HydrophobicContact CD1-CG 3.43Å; I95-F150 VanDerWaalsContact CD1-CG 3.43Å; I95-F150 HydrophobicContact CD1-CZ 3.36Å; L108-F150 HydrophobicContact CD2-CZ 4.24Å; L112-F150 HydrophobicContact CD1-CD1 4.38Å; L112-F150 HydrophobicContact CD1-CD2 3.94Å; L112-F150 HydrophobicContact CD1-CE1 3.93Å; L112-F150 HydrophobicContact CD1-CE2 3.4Å; L112-F150 HydrophobicContact CD1-CG 4.41Å; L112-F150 HydrophobicContact CD1-CZ 3.42Å; L112-F150 VanDerWaalsContact CD1-CZ 3.42Å; L112-F150 HydrophobicContact CD2-CD2 4.32Å; L112-F150 HydrophobicContact CD2-CE2 4.2Å; L112-F150 HydrophobicContact CG-CE2 4.47Å; I117-F150 HydrophobicContact CG2-CB 3.84Å; I117-F150 HydrophobicContact CG2-CD2 4.42Å; I117-F150 HydrophobicContact CG2-CG 4.23Å; I119-F150 HydrophobicContact CB-CD1 4.38Å; I119-F150 HydrophobicContact CB-CE1 4.37Å; I119-F150 HydrophobicContact CD1-CE1 3.96Å; I119-F150 HydrophobicContact CD1-CZ 4.45Å; I119-F150 HydrophobicContact CG1-CD1 3.93Å; I119-F150 HydrophobicContact CG1-CE1 3.73Å; I119-F150 HydrophobicContact CG2-CD1 4.23Å; I119-F150 HydrophobicContact CG2-CE1 4.01Å; V148-F150 HydrophobicContact CG1-CD1 4.4Å; V148-F150 HydrophobicContact CG1-CE1 4.16Å; F150-M160 HydrophobicContact CD2-CG 3.83Å; F150-M160 HydrophobicContact CD2-SD 4.02Å; F150-M160 HydrophobicContact CE2-CG 4.37Å; F150-L164 HydrophobicContact CE2-CD2 3.82Å; F150-L164 HydrophobicContact CE2-CG 4.22Å; F150-L164 HydrophobicContact CZ-CD2 4.21Å |
| 151 | V | 94.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 130.5 | -172.4 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | M85 C89 I92 K118 K120 L149 | M85-V151 HydrophobicContact CE-CB 4.05Å; M85-V151 HydrophobicContact CE-CG1 3.78Å; M85-V151 HydrophobicContact CE-CG2 4.13Å; C89-V151 HydrophobicContact CB-CG1 3.31Å; C89-V151 WeakPolarHBondContact SG-CG1 3.22Å; I92-V151 HydrophobicContact CG1-CG1 4.49Å; K118-V151 PolarHBondContact N-O 3.34Å; K118-V151 PolarHBondContact O-N 2.93Å; K120-V151 HydrophobicContact CG-CG2 4.48Å; L149-V151 HydrophobicContact CB-CG2 4.02Å |
| 152 | S | 93.5 | Very high | 91.1 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 144.9 | 178.5 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | C89 K90 M91 E154 | C89-S152 WeakPolarHBondContact CB-O 3.49Å; K90-S152 PolarHBondContact N-O 3.33Å; M91-S152 PolarHBondContact N-O 2.85Å; M91-S152 VanDerWaalsContact N-O 3.16Å; M91-S152 PolarHBondContact O-N 3.09Å; S152-E154 VanDerWaalsContact CB-O 3.26Å; S152-E154 WeakPolarHBondContact CB-O 3.25Å; S152-E154 PolarHBondContact OG-N 3.36Å; S152-E154 PolarHBondContact OG-O 2.85Å |
| 153 | K | 91.8 | Very high | 91.1 | Very high | 139 Ų | 139 | 47 Ų | 47 | 60% | 0.604 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -69.9 | -37.9 | 172.1 | -66 | -170.5 | 175.1 | -168.6 | 0 | 111.6 | K90 | K90-K153 WeakPolarHBondContact CB-O 3.27Å; K90-K153 WeakPolarHBondContact CD-O 3.5Å; K90-K153 WeakPolarHBondContact CG-O 3.36Å |
| 154 | E | 88.9 | Confident | 91 | Very high | 114 Ų | 114 | 47.6 Ų | 47.6 | 53% | 0.533 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -111.3 | 141 | 177.4 | -66.9 | -179.7 | 171.9 | 0 | 0 | 111 | S152 K156 | S152-E154 VanDerWaalsContact CB-O 3.26Å; S152-E154 WeakPolarHBondContact CB-O 3.25Å; S152-E154 PolarHBondContact OG-N 3.36Å; S152-E154 PolarHBondContact OG-O 2.85Å; E154-K156 VanDerWaalsContact C-N 3.29Å; E154-K156 HydrophobicContact CB-CG 4.35Å; E154-K156 PolarHBondContact O-N 3Å; E154-K156 WeakPolarHBondContact OE2-CE 3.24Å; E154-K156 IonicContact OE2-NZ 3.53Å |
| 155 | P | 86.9 | Confident | 90.9 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 24% | 0.24 | 25% | 0.25 | C | S | . | . | trans | -76.9 | 71.8 | -176.6 | 31.7 | -35.4 | 0 | 0 | 0 | 113.2 | M91 V157 I177 Y190 | M91-P155 HydrophobicContact CB-CB 4.18Å; M91-P155 HydrophobicContact SD-CB 4.34Å; P155-V157 VanDerWaalsContact C-N 3.33Å; P155-V157 PolarHBondContact O-N 3.06Å; P155-V157 VanDerWaalsContact O-N 3.14Å; P155-I177 HydrophobicContact CB-CG2 4.06Å; P155-Y190 HydrophobicContact CB-CE1 4.48Å | ||
| 156 | K | 89.6 | Confident | 90.8 | Very high | 77 Ų | 77 | 53.4 Ų | 53.4 | 34% | 0.335 | 25% | 0.253 | S | S | . | . | trans | -88.1 | 62.9 | 178.8 | -63.8 | -173.9 | -177.2 | -179.4 | 0 | 112.8 | E154 K158 E159 M160 | E154-K156 VanDerWaalsContact C-N 3.29Å; E154-K156 HydrophobicContact CB-CG 4.35Å; E154-K156 PolarHBondContact O-N 3Å; E154-K156 WeakPolarHBondContact OE2-CE 3.24Å; E154-K156 IonicContact OE2-NZ 3.53Å; K156-K158 PolarHBondContact O-N 3.41Å; K156-E159 WeakPolarHBondContact CD-OE2 3.37Å; K156-M160 PolarHBondContact O-N 3.46Å | ||
| 157 | V | 90.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.5 | -37.1 | -174.8 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | M91 P155 E159 M160 L161 I177 V187 Y190 A191 | M91-V157 HydrophobicContact SD-CB 4.48Å; M91-V157 HydrophobicContact SD-CG2 3.5Å; M91-V157 WeakPolarHBondContact SD-CG2 3.5Å; P155-V157 VanDerWaalsContact C-N 3.33Å; P155-V157 PolarHBondContact O-N 3.06Å; P155-V157 VanDerWaalsContact O-N 3.14Å; V157-E159 PolarHBondContact O-N 3.36Å; V157-M160 HydrophobicContact CG1-CE 4.18Å; V157-M160 WeakPolarHBondContact O-CB 3.3Å; V157-M160 PolarHBondContact O-N 2.68Å; V157-L161 HydrophobicContact CG1-CD1 4.01Å; V157-L161 HydrophobicContact CG1-CG 4.25Å; V157-L161 WeakPolarHBondContact O-CG 2.77Å; V157-L161 PolarHBondContact O-N 3.41Å; V157-I177 HydrophobicContact CG2-CD1 3.61Å; V157-V187 HydrophobicContact CG1-CG1 3.29Å; V157-Y190 HydrophobicContact CB-CD1 3.88Å; V157-Y190 HydrophobicContact CB-CE1 4.27Å; V157-Y190 HydrophobicContact CG1-CD1 4.39Å; V157-Y190 HydrophobicContact CG2-CD1 3.47Å; V157-Y190 VanDerWaalsContact CG2-CD1 3.47Å; V157-Y190 HydrophobicContact CG2-CE1 3.61Å; V157-A191 HydrophobicContact CB-CB 4.48Å; V157-A191 HydrophobicContact CG1-CB 3.93Å |
| 158 | K | 90.5 | Very high | 89.9 | Confident | 102 Ų | 102 | 52.6 Ų | 52.6 | 44% | 0.443 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56 | -52.4 | -179.7 | -76 | 176.2 | 178.1 | 171.6 | 0 | 111.7 | K156 L161 L162 A191 L193 | K156-K158 PolarHBondContact O-N 3.41Å; K158-L161 PolarHBondContact O-N 3.3Å; K158-L162 WeakPolarHBondContact O-CG 3.11Å; K158-L162 PolarHBondContact O-N 2.92Å; K158-A191 WeakPolarHBondContact CD-O 3.21Å; K158-A191 WeakPolarHBondContact CE-O 3.32Å; K158-A191 HydrophobicContact CG-CB 4.13Å; K158-A191 WeakPolarHBondContact CG-O 3.11Å; K158-L193 VanDerWaalsContact CE-O 3.24Å; K158-L193 WeakPolarHBondContact CE-O 3.46Å; K158-L193 PolarHBondContact NZ-O 2.99Å |
| 159 | E | 90.4 | Very high | 89.6 | Confident | 62 Ų | 62 | 55.7 Ų | 55.7 | 29% | 0.29 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.6 | -36.5 | -177.1 | -58.3 | 178.8 | 150.6 | 0 | 0 | 111.8 | H115 K156 V157 L162 S163 | H115-E159 HydrophobicContact CB-CB 4.27Å; H115-E159 VanDerWaalsContact CB-OE2 3.3Å; H115-E159 WeakPolarHBondContact CB-OE2 3.43Å; H115-E159 IonicContact CE1-OE1 3.25Å; H115-E159 IonicContact CE1-OE2 2.77Å; H115-E159 IonicContact CG-OE2 3.63Å; H115-E159 IonicContact ND1-OE1 2.77Å; H115-E159 PolarHBondContact ND1-OE1 3.34Å; H115-E159 IonicContact ND1-OE2 3.21Å; H115-E159 PolarHBondContact ND1-OE2 3.44Å; K156-E159 WeakPolarHBondContact CD-OE2 3.37Å; V157-E159 PolarHBondContact O-N 3.36Å; E159-L162 PolarHBondContact O-N 2.88Å; E159-S163 PolarHBondContact O-N 2.83Å; E159-S163 PolarHBondContact O-OG 2.86Å |
| 160 | M | 91.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 172.4 | -174.7 | -167.1 | 70.1 | 0 | 0 | 111.4 | M91 A93 L112 I117 F150 K156 V157 L162 S163 L164 L172 V187 | M91-M160 HydrophobicContact CE-SD 4.36Å; A93-M160 HydrophobicContact CB-CE 4.26Å; A93-M160 HydrophobicContact CB-SD 3.68Å; L112-M160 HydrophobicContact CD2-CG 4.44Å; I117-M160 HydrophobicContact CD1-CB 3.79Å; I117-M160 HydrophobicContact CD1-CG 4.33Å; F150-M160 HydrophobicContact CD2-CG 3.83Å; F150-M160 HydrophobicContact CD2-SD 4.02Å; F150-M160 HydrophobicContact CE2-CG 4.37Å; K156-M160 PolarHBondContact O-N 3.46Å; V157-M160 HydrophobicContact CG1-CE 4.18Å; V157-M160 WeakPolarHBondContact O-CB 3.3Å; V157-M160 PolarHBondContact O-N 2.68Å; M160-L162 PolarHBondContact O-N 3.26Å; M160-S163 WeakPolarHBondContact O-CB 3.22Å; M160-S163 PolarHBondContact O-N 2.94Å; M160-L164 HydrophobicContact CE-CD1 4.34Å; M160-L164 HydrophobicContact CG-CD1 4.22Å; M160-L164 WeakPolarHBondContact O-CG 3.26Å; M160-L164 PolarHBondContact O-N 3.4Å; M160-L172 HydrophobicContact CE-CD1 4.44Å; M160-L172 HydrophobicContact CE-CD2 4.42Å; M160-V187 HydrophobicContact CE-CG1 4.12Å |
| 161 | L | 91.6 | Very high | 89.3 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.8 | -35.9 | -179.5 | -71.4 | 173.6 | 0 | 0 | 0 | 112.5 | V157 K158 S163 L164 R165 L172 V187 L188 A191 | V157-L161 HydrophobicContact CG1-CD1 4.01Å; V157-L161 HydrophobicContact CG1-CG 4.25Å; V157-L161 WeakPolarHBondContact O-CG 2.77Å; V157-L161 PolarHBondContact O-N 3.41Å; K158-L161 PolarHBondContact O-N 3.3Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-L164 HydrophobicContact CD2-CD1 4.4Å; L161-L164 PolarHBondContact O-N 3.23Å; L161-R165 WeakPolarHBondContact O-CG 3.46Å; L161-R165 PolarHBondContact O-N 2.85Å; L161-L172 HydrophobicContact CD2-CD2 3.93Å; L161-V187 HydrophobicContact CD1-CG1 4.48Å; L161-V187 HydrophobicContact CD2-CG1 4.45Å; L161-L188 HydrophobicContact CD1-CD2 3.8Å; L161-L188 HydrophobicContact CD2-CD2 4.21Å; L161-A191 HydrophobicContact CD1-CB 3.36Å |
| 162 | L | 91.1 | Very high | 89.2 | Confident | 104 Ų | 104 | 58 Ų | 58 | 55% | 0.545 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 173 | -70.3 | 172.3 | 0 | 0 | 0 | 111.1 | K158 E159 M160 L164 R165 T166 | K158-L162 WeakPolarHBondContact O-CG 3.11Å; K158-L162 PolarHBondContact O-N 2.92Å; E159-L162 PolarHBondContact O-N 2.88Å; M160-L162 PolarHBondContact O-N 3.26Å; L162-L164 VanDerWaalsContact C-N 3.34Å; L162-L164 PolarHBondContact O-N 2.75Å; L162-R165 PolarHBondContact O-N 3.5Å; L162-T166 PolarHBondContact O-OG1 2.83Å |
| 163 | S | 88.7 | Confident | 89.1 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 5% | 0.049 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 176.5 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | E159 M160 L161 T166 | E159-S163 PolarHBondContact O-N 2.83Å; E159-S163 PolarHBondContact O-OG 2.86Å; M160-S163 WeakPolarHBondContact O-CB 3.22Å; M160-S163 PolarHBondContact O-N 2.94Å; L161-S163 VanDerWaalsContact C-N 3.33Å; S163-T166 PolarHBondContact O-N 3.47Å |
| 164 | L | 88.9 | Confident | 89.2 | Confident | 15 Ų | 15 | 53.7 Ų | 53.7 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68 | -32.9 | 176.3 | -75.4 | 172.4 | 0 | 0 | 0 | 112.9 | I95 F150 M160 L161 L162 T166 S167 M170 L172 | I95-L164 HydrophobicContact CD1-CD1 4.25Å; I95-L164 HydrophobicContact CD1-CD2 4.14Å; F150-L164 HydrophobicContact CE2-CD2 3.82Å; F150-L164 HydrophobicContact CE2-CG 4.22Å; F150-L164 HydrophobicContact CZ-CD2 4.21Å; M160-L164 HydrophobicContact CE-CD1 4.34Å; M160-L164 HydrophobicContact CG-CD1 4.22Å; M160-L164 WeakPolarHBondContact O-CG 3.26Å; M160-L164 PolarHBondContact O-N 3.4Å; L161-L164 HydrophobicContact CD2-CD1 4.4Å; L161-L164 PolarHBondContact O-N 3.23Å; L162-L164 VanDerWaalsContact C-N 3.34Å; L162-L164 PolarHBondContact O-N 2.75Å; L164-T166 PolarHBondContact O-N 2.92Å; L164-S167 CarbonylContact O-C 3.3Å; L164-S167 VanDerWaalsContact O-C 3.3Å; L164-S167 PolarHBondContact O-N 2.94Å; L164-S167 VanDerWaalsContact O-N 3.11Å; L164-S167 VanDerWaalsContact O-O 3.12Å; L164-M170 HydrophobicContact CD2-CB 3.62Å; L164-L172 HydrophobicContact CD1-CB 4.34Å |
| 165 | R | 87.3 | Confident | 89.4 | Confident | 194 Ų | 194 | 48.3 Ų | 48.3 | 73% | 0.732 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -62.4 | -29.1 | 176.5 | -78 | 179.6 | -178.7 | -174.6 | 0.7 | 112.9 | L161 L162 S167 | L161-R165 WeakPolarHBondContact O-CG 3.46Å; L161-R165 PolarHBondContact O-N 2.85Å; L162-R165 PolarHBondContact O-N 3.5Å; R165-S167 VanDerWaalsContact C-N 3.29Å |
| 166 | T | 86.1 | Confident | 89.6 | Confident | 83 Ų | 83 | 46.9 Ų | 46.9 | 51% | 0.509 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -73.6 | -23.7 | 177.5 | -37.4 | 0 | 0 | 0 | 0 | 112.7 | R111 L162 S163 L164 | R111-T166 VanDerWaalsContact NH1-CB 3.34Å; L162-T166 PolarHBondContact O-OG1 2.83Å; S163-T166 PolarHBondContact O-N 3.47Å; L164-T166 PolarHBondContact O-N 2.92Å |
| 167 | S | 83.5 | Confident | 89.7 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 8% | 0.077 | 22% | 0.221 | C | C | . | . | trans | -128.2 | 84.1 | -174.7 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | L164 R165 Q169 M170 | L164-S167 CarbonylContact O-C 3.3Å; L164-S167 VanDerWaalsContact O-C 3.3Å; L164-S167 PolarHBondContact O-N 2.94Å; L164-S167 VanDerWaalsContact O-N 3.11Å; L164-S167 VanDerWaalsContact O-O 3.12Å; R165-S167 VanDerWaalsContact C-N 3.29Å; S167-Q169 PolarHBondContact O-N 3.31Å; S167-Q169 VanDerWaalsContact O-N 3.09Å; S167-M170 PolarHBondContact O-N 3.42Å | ||
| 168 | P | 81.6 | Confident | 89.6 | Confident | 110 Ų | 110 | 48.7 Ų | 48.7 | 71% | 0.714 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -12.2 | -175.1 | 28.2 | -35.8 | 0 | 0 | 0 | 114 | M170 | P168-M170 PolarHBondContact O-N 3.43Š|
| 169 | Q | 87.4 | Confident | 89.4 | Confident | 66 Ų | 66 | 51.8 Ų | 51.8 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.5 | 174.3 | -66.9 | 168.8 | -9.4 | 0 | 0 | 112.7 | N98 T100 S167 | N98-Q169 WeakPolarHBondContact CB-O 3.42Å; N98-Q169 PolarHBondContact N-O 3.33Å; T100-Q169 VanDerWaalsContact CA-OE1 3.28Å; T100-Q169 VanDerWaalsContact CG2-OE1 3.25Å; S167-Q169 PolarHBondContact O-N 3.31Å; S167-Q169 VanDerWaalsContact O-N 3.09Å |
| 170 | M | 89.5 | Confident | 89.4 | Confident | 7 Ų | 7 | 54 Ų | 54 | 3% | 0.034 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 107.7 | 177.7 | -70.9 | -68.8 | -176.9 | 0 | 0 | 110.6 | I95 N97 T100 M105 L108 L164 S167 P168 | I95-M170 HydrophobicContact CG2-CB 3.84Å; I95-M170 HydrophobicContact CG2-CG 4.4Å; I95-M170 HydrophobicContact CG2-SD 3.82Å; N97-M170 HydrophobicContact CB-CE 4.13Å; N97-M170 HydrophobicContact CB-SD 3.93Å; T100-M170 HydrophobicContact CG2-CE 4.23Å; T100-M170 VanDerWaalsContact OG1-CE 3.26Å; T100-M170 WeakPolarHBondContact OG1-CE 3.45Å; M105-M170 HydrophobicContact CE-CE 3.14Å; M105-M170 HydrophobicContact SD-CE 3.72Å; L108-M170 HydrophobicContact CD2-CE 4.3Å; L108-M170 HydrophobicContact CD2-CG 3.83Å; L164-M170 HydrophobicContact CD2-CB 3.62Å; S167-M170 PolarHBondContact O-N 3.42Å; P168-M170 PolarHBondContact O-N 3.43Å |
| 171 | V | 91 | Very high | 89.4 | Confident | 43 Ų | 43 | 57.3 Ų | 57.3 | 26% | 0.261 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 117.9 | -177.7 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | I95 Q96 N98 L173 | I95-V171 CarbonylContact C-O 3.59Å; I95-V171 WeakPolarHBondContact CA-O 3.44Å; Q96-V171 HydrophobicContact CB-CB 4.47Å; Q96-V171 PolarHBondContact N-O 3.5Å; Q96-V171 PolarHBondContact O-N 2.86Å; N98-V171 WeakPolarHBondContact ND2-CG2 3.31Å; V171-L173 PolarHBondContact O-N 3.33Å |
| 172 | L | 92.4 | Very high | 89.5 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 7% | 0.068 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 119.2 | 172.6 | 179.4 | 68.5 | 0 | 0 | 0 | 110.4 | A93 I95 M160 L161 L164 R184 V187 | A93-L172 HydrophobicContact CB-CD1 4.02Å; I95-L172 HydrophobicContact CG1-CD1 3.94Å; M160-L172 HydrophobicContact CE-CD1 4.44Å; M160-L172 HydrophobicContact CE-CD2 4.42Å; L161-L172 HydrophobicContact CD2-CD2 3.93Å; L164-L172 HydrophobicContact CD1-CB 4.34Å; L172-R184 HydrophobicContact CD2-CG 4.39Å; L172-V187 HydrophobicContact CD2-CB 4Å; L172-V187 HydrophobicContact CD2-CG1 3.78Å; L172-V187 HydrophobicContact CD2-CG2 4.32Å |
| 173 | L | 92.4 | Very high | 89.6 | Confident | 52 Ų | 52 | 57 Ų | 57 | 27% | 0.272 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -52.4 | 174.8 | -62.8 | 178.7 | 0 | 0 | 0 | 110.8 | V94 Q96 L142 V171 | V94-L173 HydrophobicContact CG1-CD1 4.47Å; V94-L173 PolarHBondContact O-N 2.92Å; Q96-L173 HydrophobicContact CB-CD1 4.08Å; Q96-L173 HydrophobicContact CB-CD2 4.25Å; Q96-L173 HydrophobicContact CB-CG 4.09Å; L142-L173 HydrophobicContact CD2-CB 4.18Å; V171-L173 PolarHBondContact O-N 3.33Å |
| 174 | G | 92.5 | Very high | 89.8 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 170.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.5 | V94 L182 | V94-G174 PolarHBondContact N-O 3.24Å; V94-G174 PolarHBondContact O-N 2.99Å; G174-L182 CarbonylContact C-O 3.6Å; G174-L182 VanDerWaalsContact CA-O 3.32Å; G174-L182 WeakPolarHBondContact CA-O 3.5Å |
| 175 | A | 93.3 | Very high | 90 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 145.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I92 A93 I177 L182 V187 | I92-A175 CarbonylContact O-C 3.5Å; I92-A175 WeakPolarHBondContact O-CA 3.46Å; A93-A175 HydrophobicContact CB-CB 3.89Å; A175-I177 HydrophobicContact CB-CG1 4.49Å; A175-L182 PolarHBondContact N-O 3.31Å; A175-L182 PolarHBondContact O-N 3.44Å; A175-V187 HydrophobicContact CB-CG2 3.61Å |
| 176 | C | 91.9 | Very high | 90.3 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 5% | 0.047 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.1 | 165.7 | -170.6 | 0 | 0 | 0 | 0 | 108.5 | I92 M139 I180 | I92-C176 PolarHBondContact N-O 2.91Å; I92-C176 PolarHBondContact O-N 2.94Å; M139-C176 HydrophobicContact CE-CB 4.43Å; M139-C176 HydrophobicContact SD-CB 3.71Å; C176-I180 CarbonylContact C-O 3.55Å; C176-I180 VanDerWaalsContact CA-O 3.32Å; C176-I180 WeakPolarHBondContact CA-O 3.45Å |
| 177 | I | 91.4 | Very high | 90.6 | Very high | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 120.7 | 175.8 | -54.8 | -176 | 0 | 0 | 0 | 106.7 | M91 P155 V157 A175 K179 I180 L182 Y190 | M91-I177 HydrophobicContact CG-CG1 4.4Å; P155-I177 HydrophobicContact CB-CG2 4.06Å; V157-I177 HydrophobicContact CG2-CD1 3.61Å; A175-I177 HydrophobicContact CB-CG1 4.49Å; I177-K179 PolarHBondContact O-N 3.36Å; I177-K179 VanDerWaalsContact O-N 3.14Å; I177-I180 PolarHBondContact N-O 2.92Å; I177-I180 WeakPolarHBondContact O-CB 3.39Å; I177-I180 PolarHBondContact O-N 3.27Å; I177-L182 HydrophobicContact CB-CD1 4.37Å; I177-L182 HydrophobicContact CD1-CD1 3.69Å; I177-L182 HydrophobicContact CG1-CD1 4.09Å; I177-Y190 HydrophobicContact CD1-CD1 3.85Å; I177-Y190 HydrophobicContact CD1-CD2 4.41Å; I177-Y190 HydrophobicContact CD1-CE1 3.99Å; I177-Y190 HydrophobicContact CD1-CG 4.05Å; I177-Y190 HydrophobicContact CG2-CE2 4.48Å |
| 178 | E | 87.6 | Confident | 91.1 | Very high | 113 Ų | 113 | 59.8 Ų | 59.8 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 44.1 | 176.6 | -61.8 | -177.6 | 169.7 | 0 | 0 | 113 | K90 I180 | K90-E178 HydrophobicContact CB-CG 4.43Å; K90-E178 PolarHBondContact O-N 2.93Å; E178-I180 PolarHBondContact O-N 2.94Å |
| 179 | K | 86.8 | Confident | 91.7 | Very high | 167 Ų | 167 | 59 Ų | 59 | 73% | 0.726 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | -3.4 | -177.5 | -47.5 | 174.6 | 178.8 | 175.1 | 0 | 116.2 | Y136 I177 | Y136-K179 HydrophobicContact CE1-CB 4.17Å; Y136-K179 HydrophobicContact CE1-CG 4.29Å; I177-K179 PolarHBondContact O-N 3.36Å; I177-K179 VanDerWaalsContact O-N 3.14Å |
| 180 | I | 90.4 | Very high | 91.9 | Very high | 108 Ų | 108 | 59.2 Ų | 59.2 | 55% | 0.554 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.6 | 176.3 | -56.2 | 173.4 | 0 | 0 | 0 | 108.9 | C176 I177 E178 L182 | C176-I180 CarbonylContact C-O 3.55Å; C176-I180 VanDerWaalsContact CA-O 3.32Å; C176-I180 WeakPolarHBondContact CA-O 3.45Å; I177-I180 PolarHBondContact N-O 2.92Å; I177-I180 WeakPolarHBondContact O-CB 3.39Å; I177-I180 PolarHBondContact O-N 3.27Å; E178-I180 PolarHBondContact O-N 2.94Å; I180-L182 HydrophobicContact CG2-CD2 4.05Å; I180-L182 HydrophobicContact CG2-CG 4.46Å |
| 181 | L | 92.4 | Very high | 92 | Very high | 71 Ų | 71 | 59.6 Ų | 59.6 | 37% | 0.372 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 126.9 | 173.6 | -175.3 | 62.1 | 0 | 0 | 0 | 110.1 | N138 M139 L142 | N138-L181 HydrophobicContact CB-CD2 3.8Å; M139-L181 HydrophobicContact CG-CD1 3.73Å; M139-L181 HydrophobicContact CG-CD2 4.49Å; M139-L181 HydrophobicContact SD-CD1 4.11Å; L142-L181 HydrophobicContact CD1-CD1 4.25Å |
| 182 | L | 93.4 | Very high | 92.1 | Very high | 42 Ų | 42 | 65.3 Ų | 65.3 | 22% | 0.22 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.5 | 178.9 | -62 | 177.2 | 0 | 0 | 0 | 110.4 | G174 A175 I177 I180 V187 | G174-L182 CarbonylContact C-O 3.6Å; G174-L182 VanDerWaalsContact CA-O 3.32Å; G174-L182 WeakPolarHBondContact CA-O 3.5Å; A175-L182 PolarHBondContact N-O 3.31Å; A175-L182 PolarHBondContact O-N 3.44Å; I177-L182 HydrophobicContact CB-CD1 4.37Å; I177-L182 HydrophobicContact CD1-CD1 3.69Å; I177-L182 HydrophobicContact CG1-CD1 4.09Å; I180-L182 HydrophobicContact CG2-CD2 4.05Å; I180-L182 HydrophobicContact CG2-CG 4.46Å; L182-V187 HydrophobicContact CB-CG2 3.96Å |
| 183 | S | 93.1 | Very high | 91.9 | Very high | 78 Ų | 78 | 69.4 Ų | 69.4 | 55% | 0.545 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 163.9 | 166.1 | 175.4 | 0 | 0 | 0 | 0 | 110.6 | Q185 G186 V187 | S183-Q185 PolarHBondContact O-N 2.98Å; S183-Q185 VanDerWaalsContact O-N 3.14Å; S183-G186 WeakPolarHBondContact O-CA 3.19Å; S183-G186 PolarHBondContact O-N 3.09Å; S183-V187 WeakPolarHBondContact O-CG2 3.42Å; S183-V187 PolarHBondContact O-N 3.14Å |
| 184 | R | 91.9 | Very high | 91.8 | Very high | 140 Ų | 140 | 69.5 Ų | 69.5 | 53% | 0.528 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -45.6 | -44.6 | 174.4 | -179.8 | 179.3 | 175.7 | 179.5 | -0.2 | 113.3 | L172 V187 L188 | L172-R184 HydrophobicContact CD2-CG 4.39Å; R184-V187 PolarHBondContact O-N 2.89Å; R184-L188 WeakPolarHBondContact O-CG 3.43Å; R184-L188 PolarHBondContact O-N 3.43Å |
| 185 | Q | 93.5 | Very high | 91.7 | Very high | 145 Ų | 145 | 72.3 Ų | 72.3 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 177.4 | -70.8 | 174.1 | -10 | 0 | 0 | 112.1 | S183 V187 L188 N189 | S183-Q185 PolarHBondContact O-N 2.98Å; S183-Q185 VanDerWaalsContact O-N 3.14Å; Q185-V187 VanDerWaalsContact C-N 3.31Å; Q185-V187 PolarHBondContact O-N 2.91Å; Q185-L188 PolarHBondContact O-N 3.29Å; Q185-N189 VanDerWaalsContact O-CG 3.28Å; Q185-N189 PolarHBondContact O-N 3.49Å |
| 186 | G | 93.4 | Very high | 91.5 | Very high | 21 Ų | 21 | 76.9 Ų | 76.9 | 22% | 0.216 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | S183 N189 Y190 | S183-G186 WeakPolarHBondContact O-CA 3.19Å; S183-G186 PolarHBondContact O-N 3.09Å; G186-N189 PolarHBondContact O-N 3.31Å; G186-Y190 WeakPolarHBondContact O-CB 3.41Å; G186-Y190 PolarHBondContact O-N 3.29Å |
| 187 | V | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 175.4 | -177.2 | 0 | 0 | 0 | 0 | 111.6 | V157 M160 L161 L172 A175 L182 S183 R184 Q185 N189 Y190 A191 | V157-V187 HydrophobicContact CG1-CG1 3.29Å; M160-V187 HydrophobicContact CE-CG1 4.12Å; L161-V187 HydrophobicContact CD1-CG1 4.48Å; L161-V187 HydrophobicContact CD2-CG1 4.45Å; L172-V187 HydrophobicContact CD2-CB 4Å; L172-V187 HydrophobicContact CD2-CG1 3.78Å; L172-V187 HydrophobicContact CD2-CG2 4.32Å; A175-V187 HydrophobicContact CB-CG2 3.61Å; L182-V187 HydrophobicContact CB-CG2 3.96Å; S183-V187 WeakPolarHBondContact O-CG2 3.42Å; S183-V187 PolarHBondContact O-N 3.14Å; R184-V187 PolarHBondContact O-N 2.89Å; Q185-V187 VanDerWaalsContact C-N 3.31Å; Q185-V187 PolarHBondContact O-N 2.91Å; V187-N189 VanDerWaalsContact C-N 3.34Å; V187-N189 PolarHBondContact O-N 2.98Å; V187-Y190 PolarHBondContact O-N 2.87Å; V187-A191 WeakPolarHBondContact O-CB 3.5Å; V187-A191 PolarHBondContact O-N 2.93Å |
| 188 | L | 92.9 | Very high | 91.7 | Very high | 62 Ų | 62 | 84.2 Ų | 84.2 | 33% | 0.325 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 174.6 | -71.2 | 177.4 | 0 | 0 | 0 | 112.1 | L161 R184 Q185 A191 K192 | L161-L188 HydrophobicContact CD1-CD2 3.8Å; L161-L188 HydrophobicContact CD2-CD2 4.21Å; R184-L188 WeakPolarHBondContact O-CG 3.43Å; R184-L188 PolarHBondContact O-N 3.43Å; Q185-L188 PolarHBondContact O-N 3.29Å; L188-A191 PolarHBondContact O-N 3.49Å; L188-K192 WeakPolarHBondContact O-CG 3.21Å; L188-K192 PolarHBondContact O-N 3.24Å |
| 189 | N | 94.1 | Very high | 92 | Very high | 94 Ų | 94 | 81.5 Ų | 81.5 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.9 | -44.7 | 177.6 | -69.7 | -11.8 | 0 | 0 | 0 | 110.9 | Q185 G186 V187 A191 K192 L193 | Q185-N189 VanDerWaalsContact O-CG 3.28Å; Q185-N189 PolarHBondContact O-N 3.49Å; G186-N189 PolarHBondContact O-N 3.31Å; V187-N189 VanDerWaalsContact C-N 3.34Å; V187-N189 PolarHBondContact O-N 2.98Å; N189-A191 PolarHBondContact O-N 3.34Å; N189-K192 WeakPolarHBondContact O-CB 3.43Å; N189-K192 PolarHBondContact O-N 3.49Å; N189-L193 PolarHBondContact O-N 3.3Å |
| 190 | Y | 92.4 | Very high | 92.4 | Very high | 70 Ų | 70 | 79.1 Ų | 79.1 | 28% | 0.275 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.9 | -39.9 | 174.6 | -173.3 | -89.5 | 0 | 0 | 0 | 111.7 | P155 V157 I177 G186 V187 K192 L193 | P155-Y190 HydrophobicContact CB-CE1 4.48Å; V157-Y190 HydrophobicContact CB-CD1 3.88Å; V157-Y190 HydrophobicContact CB-CE1 4.27Å; V157-Y190 HydrophobicContact CG1-CD1 4.39Å; V157-Y190 HydrophobicContact CG2-CD1 3.47Å; V157-Y190 VanDerWaalsContact CG2-CD1 3.47Å; V157-Y190 HydrophobicContact CG2-CE1 3.61Å; I177-Y190 HydrophobicContact CD1-CD1 3.85Å; I177-Y190 HydrophobicContact CD1-CD2 4.41Å; I177-Y190 HydrophobicContact CD1-CE1 3.99Å; I177-Y190 HydrophobicContact CD1-CG 4.05Å; I177-Y190 HydrophobicContact CG2-CE2 4.48Å; G186-Y190 WeakPolarHBondContact O-CB 3.41Å; G186-Y190 PolarHBondContact O-N 3.29Å; V187-Y190 PolarHBondContact O-N 2.87Å; Y190-K192 PolarHBondContact O-N 2.95Å; Y190-L193 HydrophobicContact CD2-CD1 4.38Å; Y190-L193 WeakPolarHBondContact O-CB 3.41Å; Y190-L193 PolarHBondContact O-N 2.95Å; Y190-L193 VanDerWaalsContact O-N 3.14Å |
| 191 | A | 92.1 | Very high | 92.7 | Very high | 15 Ų | 15 | 75.9 Ų | 75.9 | 12% | 0.124 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -16.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | V157 K158 L161 V187 L188 N189 | V157-A191 HydrophobicContact CB-CB 4.48Å; V157-A191 HydrophobicContact CG1-CB 3.93Å; K158-A191 WeakPolarHBondContact CD-O 3.21Å; K158-A191 WeakPolarHBondContact CE-O 3.32Å; K158-A191 HydrophobicContact CG-CB 4.13Å; K158-A191 WeakPolarHBondContact CG-O 3.11Å; L161-A191 HydrophobicContact CD1-CB 3.36Å; V187-A191 WeakPolarHBondContact O-CB 3.5Å; V187-A191 PolarHBondContact O-N 2.93Å; L188-A191 PolarHBondContact O-N 3.49Å; N189-A191 PolarHBondContact O-N 3.34Å |
| 192 | K | 91.9 | Very high | 92.8 | Very high | 163 Ų | 163 | 77.9 Ų | 77.9 | 71% | 0.709 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -22.1 | 172.6 | -68.4 | 171.1 | -176.9 | 177.1 | 0 | 112 | L188 N189 Y190 | L188-K192 WeakPolarHBondContact O-CG 3.21Å; L188-K192 PolarHBondContact O-N 3.24Å; N189-K192 WeakPolarHBondContact O-CB 3.43Å; N189-K192 PolarHBondContact O-N 3.49Å; Y190-K192 PolarHBondContact O-N 2.95Å |
| 193 | L | 89.1 | Confident | 92.9 | Very high | 99 Ų | 99 | 81.6 Ų | 81.6 | 52% | 0.518 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -65.1 | 147.9 | -178.2 | -63.8 | 176.1 | 0 | 0 | 0 | 111.6 | K158 N189 Y190 | K158-L193 VanDerWaalsContact CE-O 3.24Å; K158-L193 WeakPolarHBondContact CE-O 3.46Å; K158-L193 PolarHBondContact NZ-O 2.99Å; N189-L193 PolarHBondContact O-N 3.3Å; Y190-L193 HydrophobicContact CD2-CD1 4.38Å; Y190-L193 WeakPolarHBondContact O-CB 3.41Å; Y190-L193 PolarHBondContact O-N 2.95Å; Y190-L193 VanDerWaalsContact O-N 3.14Å |
| 194 | P | 90.1 | Very high | 93.1 | Very high | 54 Ų | 54 | 82.2 Ų | 82.2 | 35% | 0.351 | 44% | 0.442 | S | S | . | . | trans | -72.3 | 174.4 | 171.6 | 31.7 | -33.4 | 0 | 0 | 0 | 111.1 | V198 V199 | P194-V198 HydrophobicContact CB-CB 4Å; P194-V198 HydrophobicContact CB-CG1 3.8Å; P194-V198 HydrophobicContact CG-CG1 4.19Å; P194-V199 HydrophobicContact CG-CG2 3.82Å | ||
| 195 | S | 89.8 | Confident | 93.3 | Very high | 62 Ų | 62 | 79 Ų | 79 | 43% | 0.434 | 44% | 0.44 | S | S | . | . | trans | -66.3 | 157.2 | 178.2 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | T197 V198 V199 | S195-T197 PolarHBondContact O-N 3.4Å; S195-T197 PolarHBondContact OG-OG1 3.04Å; S195-T197 VanDerWaalsContact OG-OG1 3.05Å; S195-V198 PolarHBondContact O-N 3.13Å; S195-V198 WeakPolarHBondContact OG-CG2 3.34Å; S195-V199 PolarHBondContact O-N 2.99Å | ||
| 196 | V | 89.8 | Confident | 93.4 | Very high | 98 Ų | 98 | 73.3 Ų | 73.3 | 59% | 0.594 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -54.9 | -38.8 | 180 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | V198 V199 Q200 | V196-V198 VanDerWaalsContact C-N 3.32Å; V196-V198 PolarHBondContact O-N 2.98Å; V196-V199 PolarHBondContact O-N 2.91Å; V196-Q200 HydrophobicContact CG1-CG 4.42Å; V196-Q200 WeakPolarHBondContact O-CB 3.46Å; V196-Q200 VanDerWaalsContact O-CG 3.3Å; V196-Q200 WeakPolarHBondContact O-CG 3.43Å; V196-Q200 PolarHBondContact O-N 2.79Å |
| 197 | T | 93 | Very high | 93.5 | Very high | 100 Ų | 100 | 77.9 Ų | 77.9 | 61% | 0.613 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62.9 | -36.9 | 177.1 | 51.6 | 0 | 0 | 0 | 0 | 113 | S195 G201 | S195-T197 PolarHBondContact O-N 3.4Å; S195-T197 PolarHBondContact OG-OG1 3.04Å; S195-T197 VanDerWaalsContact OG-OG1 3.05Å; T197-G201 PolarHBondContact O-N 3.17Å |
| 198 | V | 94.2 | Very high | 93.7 | Very high | 66 Ų | 66 | 81.5 Ų | 81.5 | 40% | 0.4 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -72.7 | -42.4 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 110 | P194 S195 V196 Q200 G201 E202 | P194-V198 HydrophobicContact CB-CB 4Å; P194-V198 HydrophobicContact CB-CG1 3.8Å; P194-V198 HydrophobicContact CG-CG1 4.19Å; S195-V198 PolarHBondContact O-N 3.13Å; S195-V198 WeakPolarHBondContact OG-CG2 3.34Å; V196-V198 VanDerWaalsContact C-N 3.32Å; V196-V198 PolarHBondContact O-N 2.98Å; V198-Q200 VanDerWaalsContact C-N 3.31Å; V198-Q200 PolarHBondContact O-N 3.08Å; V198-G201 CarbonylContact O-C 3.59Å; V198-G201 WeakPolarHBondContact O-CA 3.33Å; V198-G201 PolarHBondContact O-N 3.43Å; V198-G201 VanDerWaalsContact O-N 3.1Å; V198-E202 HydrophobicContact CG1-CG 4.46Å; V198-E202 WeakPolarHBondContact O-CG 3.41Å; V198-E202 PolarHBondContact O-N 3Å |
| 199 | V | 93.6 | Very high | 93.8 | Very high | 57 Ų | 57 | 83 Ų | 83 | 35% | 0.345 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 175 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | P194 S195 V196 G201 E202 L203 | P194-V199 HydrophobicContact CG-CG2 3.82Å; S195-V199 PolarHBondContact O-N 2.99Å; V196-V199 PolarHBondContact O-N 2.91Å; V199-G201 VanDerWaalsContact C-N 3.35Å; V199-E202 PolarHBondContact O-N 3.22Å; V199-L203 WeakPolarHBondContact O-CG 3.44Å; V199-L203 PolarHBondContact O-N 3.44Å |
| 200 | Q | 95.3 | Very high | 93.9 | Very high | 117 Ų | 117 | 83.2 Ų | 83.2 | 55% | 0.547 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 173.9 | -72.5 | 173.2 | -12.6 | 0 | 0 | 111.6 | V196 V198 L203 V204 | V196-Q200 HydrophobicContact CG1-CG 4.42Å; V196-Q200 WeakPolarHBondContact O-CB 3.46Å; V196-Q200 VanDerWaalsContact O-CG 3.3Å; V196-Q200 WeakPolarHBondContact O-CG 3.43Å; V196-Q200 PolarHBondContact O-N 2.79Å; V198-Q200 VanDerWaalsContact C-N 3.31Å; V198-Q200 PolarHBondContact O-N 3.08Å; Q200-L203 PolarHBondContact O-N 3.13Å; Q200-V204 WeakPolarHBondContact O-CG2 3.09Å; Q200-V204 PolarHBondContact O-N 3.03Å |
| 201 | G | 96.5 | Very high | 94 | Very high | 39 Ų | 39 | 84.2 Ų | 84.2 | 40% | 0.402 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T197 V198 V199 L203 V204 S205 | T197-G201 PolarHBondContact O-N 3.17Å; V198-G201 CarbonylContact O-C 3.59Å; V198-G201 WeakPolarHBondContact O-CA 3.33Å; V198-G201 PolarHBondContact O-N 3.43Å; V198-G201 VanDerWaalsContact O-N 3.1Å; V199-G201 VanDerWaalsContact C-N 3.35Å; G201-L203 VanDerWaalsContact C-N 3.35Å; G201-V204 PolarHBondContact O-N 2.99Å; G201-S205 WeakPolarHBondContact O-CB 3.37Å; G201-S205 PolarHBondContact O-N 3.06Å |
| 202 | E | 94.8 | Very high | 94.1 | Very high | 113 Ų | 113 | 86.5 Ų | 86.5 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 174.9 | -75.8 | 175.6 | -173.7 | 0 | 0 | 111.6 | V198 V199 S205 G206 | V198-E202 HydrophobicContact CG1-CG 4.46Å; V198-E202 WeakPolarHBondContact O-CG 3.41Å; V198-E202 PolarHBondContact O-N 3Å; V199-E202 PolarHBondContact O-N 3.22Å; E202-S205 PolarHBondContact O-N 3.39Å; E202-G206 PolarHBondContact O-N 2.9Å |
| 203 | L | 96.4 | Very high | 94.2 | Very high | 120 Ų | 120 | 82.9 Ų | 82.9 | 63% | 0.628 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.4 | -46.5 | 174.6 | -71.2 | 176.5 | 0 | 0 | 0 | 111.9 | V199 Q200 G201 S205 G206 L207 | V199-L203 WeakPolarHBondContact O-CG 3.44Å; V199-L203 PolarHBondContact O-N 3.44Å; Q200-L203 PolarHBondContact O-N 3.13Å; G201-L203 VanDerWaalsContact C-N 3.35Å; L203-S205 VanDerWaalsContact C-N 3.35Å; L203-G206 PolarHBondContact O-N 3.21Å; L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.46Å |
| 204 | V | 97 | Very high | 94.5 | Very high | 92 Ų | 92 | 82.3 Ų | 82.3 | 56% | 0.558 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.2 | -45.1 | 176.3 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | Q200 G201 G206 L207 T208 | Q200-V204 WeakPolarHBondContact O-CG2 3.09Å; Q200-V204 PolarHBondContact O-N 3.03Å; G201-V204 PolarHBondContact O-N 2.99Å; V204-G206 VanDerWaalsContact C-N 3.3Å; V204-G206 PolarHBondContact O-N 3.44Å; V204-L207 PolarHBondContact O-N 3.1Å; V204-T208 WeakPolarHBondContact O-CG2 3.44Å; V204-T208 PolarHBondContact O-N 3.49Å |
| 205 | S | 95.6 | Very high | 94.6 | Very high | 71 Ų | 71 | 81.6 Ų | 81.6 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 174.7 | -173.3 | 0 | 0 | 0 | 0 | 111.4 | G201 E202 L203 L207 T208 M209 | G201-S205 WeakPolarHBondContact O-CB 3.37Å; G201-S205 PolarHBondContact O-N 3.06Å; E202-S205 PolarHBondContact O-N 3.39Å; L203-S205 VanDerWaalsContact C-N 3.35Å; S205-L207 PolarHBondContact O-N 3.27Å; S205-T208 WeakPolarHBondContact CA-OG1 3.39Å; S205-T208 PolarHBondContact O-N 3.39Å; S205-T208 PolarHBondContact O-OG1 3.32Å; S205-M209 WeakPolarHBondContact O-CB 3.41Å; S205-M209 PolarHBondContact O-N 3.44Å |
| 206 | G | 96.4 | Very high | 94.8 | Very high | 26 Ų | 26 | 81.7 Ų | 81.7 | 27% | 0.268 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | E202 L203 V204 M209 L210 | E202-G206 PolarHBondContact O-N 2.9Å; L203-G206 PolarHBondContact O-N 3.21Å; V204-G206 VanDerWaalsContact C-N 3.3Å; V204-G206 PolarHBondContact O-N 3.44Å; G206-M209 WeakPolarHBondContact O-CB 3.28Å; G206-M209 PolarHBondContact O-N 2.97Å; G206-L210 WeakPolarHBondContact O-CG 3.4Å; G206-L210 PolarHBondContact O-N 3.47Å |
| 207 | L | 96.1 | Very high | 94.9 | Very high | 117 Ų | 117 | 83.9 Ų | 83.9 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.2 | -45.5 | 174.6 | -67.9 | 175.8 | 0 | 0 | 0 | 111.7 | L203 V204 S205 M209 L210 T211 | L203-L207 WeakPolarHBondContact O-CG 3.49Å; L203-L207 PolarHBondContact O-N 3.46Å; V204-L207 PolarHBondContact O-N 3.1Å; S205-L207 PolarHBondContact O-N 3.27Å; L207-M209 VanDerWaalsContact C-N 3.29Å; L207-M209 PolarHBondContact O-N 3.18Å; L207-L210 PolarHBondContact O-N 3.09Å; L207-T211 PolarHBondContact O-N 3.11Å; L207-T211 PolarHBondContact O-OG1 3.28Å |
| 208 | T | 95.9 | Very high | 94.9 | Very high | 76 Ų | 76 | 85.9 Ų | 85.9 | 47% | 0.466 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -35.9 | 176.7 | 63.7 | 0 | 0 | 0 | 0 | 112.2 | V204 S205 L210 T211 S212 | V204-T208 WeakPolarHBondContact O-CG2 3.44Å; V204-T208 PolarHBondContact O-N 3.49Å; S205-T208 WeakPolarHBondContact CA-OG1 3.39Å; S205-T208 PolarHBondContact O-N 3.39Å; S205-T208 PolarHBondContact O-OG1 3.32Å; T208-L210 PolarHBondContact O-N 3.14Å; T208-T211 WeakPolarHBondContact CA-OG1 3.23Å; T208-T211 PolarHBondContact O-N 2.91Å; T208-T211 PolarHBondContact O-OG1 3.48Å; T208-S212 WeakPolarHBondContact O-CB 3.39Å; T208-S212 PolarHBondContact O-N 3.48Å; T208-S212 PolarHBondContact O-OG 2.82Å |
| 209 | M | 96.6 | Very high | 94.8 | Very high | 95 Ų | 95 | 88.3 Ų | 88.3 | 47% | 0.468 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | 175.8 | -174.8 | -169.9 | 71.6 | 0 | 0 | 111.6 | S205 G206 L207 T211 S212 Q213 | S205-M209 WeakPolarHBondContact O-CB 3.41Å; S205-M209 PolarHBondContact O-N 3.44Å; G206-M209 WeakPolarHBondContact O-CB 3.28Å; G206-M209 PolarHBondContact O-N 2.97Å; L207-M209 VanDerWaalsContact C-N 3.29Å; L207-M209 PolarHBondContact O-N 3.18Å; M209-T211 VanDerWaalsContact C-N 3.34Å; M209-T211 PolarHBondContact O-N 2.95Å; M209-S212 WeakPolarHBondContact CA-OG 3.39Å; M209-S212 PolarHBondContact O-N 3.11Å; M209-S212 PolarHBondContact O-OG 2.71Å; M209-Q213 WeakPolarHBondContact O-CB 3.3Å; M209-Q213 VanDerWaalsContact O-CG 3.26Å; M209-Q213 WeakPolarHBondContact O-CG 3.4Å; M209-Q213 PolarHBondContact O-N 2.79Å |
| 210 | L | 95.1 | Very high | 94.7 | Very high | 98 Ų | 98 | 95.1 Ų | 95.1 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.6 | -66.4 | 173 | 0 | 0 | 0 | 111.4 | G206 L207 T208 Q213 T214 | G206-L210 WeakPolarHBondContact O-CG 3.4Å; G206-L210 PolarHBondContact O-N 3.47Å; L207-L210 PolarHBondContact O-N 3.09Å; T208-L210 PolarHBondContact O-N 3.14Å; L210-Q213 PolarHBondContact O-N 3.16Å; L210-T214 PolarHBondContact O-N 3.38Å |
| 211 | T | 94.9 | Very high | 94.6 | Very high | 91 Ų | 91 | 95.8 Ų | 95.8 | 56% | 0.558 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.6 | -33.2 | 175.8 | 58 | 0 | 0 | 0 | 0 | 113.1 | L207 T208 M209 T214 A215 | L207-T211 PolarHBondContact O-N 3.11Å; L207-T211 PolarHBondContact O-OG1 3.28Å; T208-T211 WeakPolarHBondContact CA-OG1 3.23Å; T208-T211 PolarHBondContact O-N 2.91Å; T208-T211 PolarHBondContact O-OG1 3.48Å; M209-T211 VanDerWaalsContact C-N 3.34Å; M209-T211 PolarHBondContact O-N 2.95Å; T211-T214 PolarHBondContact O-OG1 3.01Å; T211-A215 WeakPolarHBondContact O-CB 3.39Å; T211-A215 PolarHBondContact O-N 3.14Å; T211-A215 VanDerWaalsContact O-N 3.12Å |
| 212 | S | 94 | Very high | 94.5 | Very high | 63 Ų | 63 | 97.5 Ų | 97.5 | 44% | 0.441 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.7 | -32.4 | 177.7 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | T208 M209 A215 S216 | T208-S212 WeakPolarHBondContact O-CB 3.39Å; T208-S212 PolarHBondContact O-N 3.48Å; T208-S212 PolarHBondContact O-OG 2.82Å; M209-S212 WeakPolarHBondContact CA-OG 3.39Å; M209-S212 PolarHBondContact O-N 3.11Å; M209-S212 PolarHBondContact O-OG 2.71Å; S212-A215 PolarHBondContact O-N 3.36Å; S212-S216 VanDerWaalsContact O-CB 3.28Å; S212-S216 WeakPolarHBondContact O-CB 3.47Å; S212-S216 PolarHBondContact O-N 3.35Å; S212-S216 PolarHBondContact O-OG 2.67Å |
| 213 | Q | 95 | Very high | 94.4 | Very high | 86 Ų | 86 | 95.5 Ų | 95.5 | 40% | 0.402 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 172.3 | -78.5 | 175.9 | 4.3 | 0 | 0 | 111.2 | M209 L210 S216 M217 | M209-Q213 WeakPolarHBondContact O-CB 3.3Å; M209-Q213 VanDerWaalsContact O-CG 3.26Å; M209-Q213 WeakPolarHBondContact O-CG 3.4Å; M209-Q213 PolarHBondContact O-N 2.79Å; L210-Q213 PolarHBondContact O-N 3.16Å; Q213-S216 PolarHBondContact O-N 3.01Å; Q213-S216 PolarHBondContact O-OG 3.48Å; Q213-M217 WeakPolarHBondContact O-CG 3.32Å; Q213-M217 PolarHBondContact O-N 3.37Å; Q213-M217 VanDerWaalsContact O-N 3.13Å |
| 214 | T | 93.8 | Very high | 94.4 | Very high | 88 Ų | 88 | 94.7 Ų | 94.7 | 54% | 0.54 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 177.2 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | L210 T211 S216 M217 L218 | L210-T214 PolarHBondContact O-N 3.38Å; T211-T214 PolarHBondContact O-OG1 3.01Å; T214-S216 VanDerWaalsContact C-N 3.35Å; T214-S216 PolarHBondContact O-N 3.45Å; T214-M217 PolarHBondContact O-N 2.96Å; T214-L218 PolarHBondContact O-N 3.02Å |
| 215 | A | 93.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 94.4 Ų | 94.4 | 32% | 0.322 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T211 S212 M217 L218 Q219 | T211-A215 WeakPolarHBondContact O-CB 3.39Å; T211-A215 PolarHBondContact O-N 3.14Å; T211-A215 VanDerWaalsContact O-N 3.12Å; S212-A215 PolarHBondContact O-N 3.36Å; A215-M217 PolarHBondContact O-N 3.2Å; A215-L218 PolarHBondContact O-N 3.43Å; A215-Q219 WeakPolarHBondContact O-CB 3.29Å; A215-Q219 VanDerWaalsContact O-CG 3.28Å; A215-Q219 WeakPolarHBondContact O-CG 3.47Å; A215-Q219 PolarHBondContact O-N 3.32Å |
| 216 | S | 92.9 | Very high | 94.3 | Very high | 64 Ų | 64 | 93.6 Ų | 93.6 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 179 | 67.4 | 0 | 0 | 0 | 0 | 112.9 | S212 Q213 T214 L218 Q219 R220 | S212-S216 VanDerWaalsContact O-CB 3.28Å; S212-S216 WeakPolarHBondContact O-CB 3.47Å; S212-S216 PolarHBondContact O-N 3.35Å; S212-S216 PolarHBondContact O-OG 2.67Å; Q213-S216 PolarHBondContact O-N 3.01Å; Q213-S216 PolarHBondContact O-OG 3.48Å; T214-S216 VanDerWaalsContact C-N 3.35Å; T214-S216 PolarHBondContact O-N 3.45Å; S216-L218 VanDerWaalsContact C-N 3.32Å; S216-L218 PolarHBondContact O-N 3.29Å; S216-Q219 PolarHBondContact O-N 2.95Å; S216-R220 PolarHBondContact O-N 3.24Å |
| 217 | M | 92.9 | Very high | 94.3 | Very high | 144 Ų | 144 | 96.8 Ų | 96.8 | 71% | 0.709 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61 | -42.3 | 172.7 | -69.8 | 179.3 | -167.4 | 0 | 0 | 111.3 | Q213 T214 A215 | Q213-M217 WeakPolarHBondContact O-CG 3.32Å; Q213-M217 PolarHBondContact O-N 3.37Å; Q213-M217 VanDerWaalsContact O-N 3.13Å; T214-M217 PolarHBondContact O-N 2.96Å; A215-M217 PolarHBondContact O-N 3.2Å |
| 218 | L | 91.8 | Very high | 94.3 | Very high | 142 Ų | 142 | 93.9 Ų | 93.9 | 74% | 0.743 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -72.6 | -36.3 | 176.5 | -66.8 | 174.2 | 0 | 0 | 0 | 112.6 | T214 A215 S216 R220 P222 | T214-L218 PolarHBondContact O-N 3.02Å; A215-L218 PolarHBondContact O-N 3.43Å; S216-L218 VanDerWaalsContact C-N 3.32Å; S216-L218 PolarHBondContact O-N 3.29Å; L218-R220 PolarHBondContact O-N 3.27Å; L218-P222 VanDerWaalsContact O-CD 3.26Å; L218-P222 WeakPolarHBondContact O-CD 3.29Å |
| 219 | Q | 92.8 | Very high | 94.3 | Very high | 116 Ų | 116 | 95.7 Ų | 95.7 | 54% | 0.542 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.6 | -15.2 | -179.3 | -77.1 | 179.7 | -2.2 | 0 | 0 | 113.8 | A215 S216 H221 P222 T223 | A215-Q219 WeakPolarHBondContact O-CB 3.29Å; A215-Q219 VanDerWaalsContact O-CG 3.28Å; A215-Q219 WeakPolarHBondContact O-CG 3.47Å; A215-Q219 PolarHBondContact O-N 3.32Å; S216-Q219 PolarHBondContact O-N 2.95Å; Q219-H221 VanDerWaalsContact C-N 3.27Å; Q219-H221 PolarHBondContact O-N 3Å; Q219-P222 VanDerWaalsContact O-CD 3.31Å; Q219-P222 WeakPolarHBondContact O-CD 3.47Å; Q219-P222 WeakPolarHBondContact O-CG 3.35Å; Q219-T223 WeakPolarHBondContact O-CB 3.26Å; Q219-T223 VanDerWaalsContact O-CG2 3.23Å; Q219-T223 WeakPolarHBondContact O-CG2 3.35Å; Q219-T223 PolarHBondContact O-N 3.01Å; Q219-T223 VanDerWaalsContact O-N 3.1Å; Q219-T223 PolarHBondContact O-OG1 3.38Å |
| 220 | R | 92.5 | Very high | 94.1 | Very high | 200 Ų | 200 | 96.4 Ų | 96.4 | 76% | 0.755 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -57.1 | -38.4 | 177.8 | -172.2 | 179.6 | 176.6 | 107 | 0.1 | 113 | S216 L218 T223 H224 | S216-R220 PolarHBondContact O-N 3.24Å; L218-R220 PolarHBondContact O-N 3.27Å; R220-T223 WeakPolarHBondContact CA-OG1 3.36Å; R220-T223 PolarHBondContact O-OG1 3.26Å; R220-H224 VanDerWaalsContact O-CB 3.26Å; R220-H224 WeakPolarHBondContact O-CB 3.5Å; R220-H224 PolarHBondContact O-N 2.96Å; R220-H224 VanDerWaalsContact O-N 3.12Å |
| 221 | H | 91.9 | Very high | 94.1 | Very high | 131 Ų | 131 | 97 Ų | 97 | 61% | 0.606 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -74.2 | -51.1 | -177.2 | -159.3 | 68.1 | 0 | 0 | 0 | 113.9 | Q219 T223 H224 L225 | Q219-H221 VanDerWaalsContact C-N 3.27Å; Q219-H221 PolarHBondContact O-N 3Å; H221-T223 VanDerWaalsContact C-N 3.32Å; H221-T223 PolarHBondContact O-N 2.9Å; H221-H224 PolarHBondContact O-N 3.02Å; H221-L225 PolarHBondContact O-N 3.25Å |
| 222 | P | 94.7 | Very high | 94.1 | Very high | 76 Ų | 76 | 99.4 Ų | 99.4 | 49% | 0.494 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 176.1 | 24 | -33.8 | 0 | 0 | 0 | 112.5 | L218 Q219 L225 S226 | L218-P222 VanDerWaalsContact O-CD 3.26Å; L218-P222 WeakPolarHBondContact O-CD 3.29Å; Q219-P222 VanDerWaalsContact O-CD 3.31Å; Q219-P222 WeakPolarHBondContact O-CD 3.47Å; Q219-P222 WeakPolarHBondContact O-CG 3.35Å; P222-L225 PolarHBondContact O-N 2.94Å; P222-S226 PolarHBondContact O-N 3.39Å; P222-S226 PolarHBondContact O-OG 3.47Å |
| 223 | T | 93.4 | Very high | 94 | Very high | 70 Ų | 70 | 102 Ų | 102 | 43% | 0.429 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 175.1 | 52.3 | 0 | 0 | 0 | 0 | 111.5 | Q219 R220 H221 L225 S226 L227 | Q219-T223 WeakPolarHBondContact O-CB 3.26Å; Q219-T223 VanDerWaalsContact O-CG2 3.23Å; Q219-T223 WeakPolarHBondContact O-CG2 3.35Å; Q219-T223 PolarHBondContact O-N 3.01Å; Q219-T223 VanDerWaalsContact O-N 3.1Å; Q219-T223 PolarHBondContact O-OG1 3.38Å; R220-T223 WeakPolarHBondContact CA-OG1 3.36Å; R220-T223 PolarHBondContact O-OG1 3.26Å; H221-T223 VanDerWaalsContact C-N 3.32Å; H221-T223 PolarHBondContact O-N 2.9Å; T223-L225 PolarHBondContact O-N 3.35Å; T223-S226 PolarHBondContact O-N 2.87Å; T223-S226 PolarHBondContact O-OG 3.21Å; T223-L227 WeakPolarHBondContact O-CG 3.47Å; T223-L227 PolarHBondContact O-N 3.19Å |
| 224 | H | 94.8 | Very high | 93.7 | Very high | 104 Ų | 104 | 105.6 Ų | 105.6 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 176.1 | -173.8 | -102 | 0 | 0 | 0 | 113 | R220 H221 L227 I228 | R220-H224 VanDerWaalsContact O-CB 3.26Å; R220-H224 WeakPolarHBondContact O-CB 3.5Å; R220-H224 PolarHBondContact O-N 2.96Å; R220-H224 VanDerWaalsContact O-N 3.12Å; H221-H224 PolarHBondContact O-N 3.02Å; H224-L227 PolarHBondContact O-N 3.39Å; H224-I228 WeakPolarHBondContact CE1-CD1 3.49Å; H224-I228 WeakPolarHBondContact O-CG1 3.44Å; H224-I228 PolarHBondContact O-N 3.38Å; H224-I228 VanDerWaalsContact O-N 3.07Å |
| 225 | L | 95.9 | Very high | 93.3 | Very high | 86 Ų | 86 | 108.1 Ų | 108.1 | 45% | 0.45 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 175.6 | -75.1 | 174 | 0 | 0 | 0 | 112.1 | H221 P222 T223 L227 I228 L229 | H221-L225 PolarHBondContact O-N 3.25Å; P222-L225 PolarHBondContact O-N 2.94Å; T223-L225 PolarHBondContact O-N 3.35Å; L225-L227 VanDerWaalsContact C-N 3.27Å; L225-L227 PolarHBondContact O-N 3.36Å; L225-I228 PolarHBondContact O-N 3.03Å; L225-L229 WeakPolarHBondContact O-CG 3.32Å; L225-L229 PolarHBondContact O-N 2.92Å |
| 226 | S | 96 | Very high | 92.5 | Very high | 54 Ų | 54 | 113.5 Ų | 113.5 | 38% | 0.378 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.6 | -37.7 | 177.7 | 71.8 | 0 | 0 | 0 | 0 | 112.3 | P222 T223 Q230 | P222-S226 PolarHBondContact O-N 3.39Å; P222-S226 PolarHBondContact O-OG 3.47Å; T223-S226 PolarHBondContact O-N 2.87Å; T223-S226 PolarHBondContact O-OG 3.21Å; S226-Q230 WeakPolarHBondContact O-CB 3.36Å; S226-Q230 VanDerWaalsContact O-CG 3.29Å; S226-Q230 WeakPolarHBondContact O-CG 3.41Å; S226-Q230 PolarHBondContact O-N 3.43Å |
| 227 | L | 95.9 | Very high | 91.1 | Very high | 93 Ų | 93 | 113.4 Ų | 113.4 | 49% | 0.487 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.2 | -42.8 | 175.4 | -75.3 | 169.4 | 0 | 0 | 0 | 112.5 | T223 H224 L225 Q230 Q231 | T223-L227 WeakPolarHBondContact O-CG 3.47Å; T223-L227 PolarHBondContact O-N 3.19Å; H224-L227 PolarHBondContact O-N 3.39Å; L225-L227 VanDerWaalsContact C-N 3.27Å; L225-L227 PolarHBondContact O-N 3.36Å; L227-Q230 PolarHBondContact O-N 3.12Å; L227-Q231 WeakPolarHBondContact O-CB 3.38Å; L227-Q231 WeakPolarHBondContact O-CG 3.38Å; L227-Q231 PolarHBondContact O-N 3.01Å |
| 228 | I | 96.6 | Very high | 88.9 | Confident | 55 Ų | 55 | 111.5 Ų | 111.5 | 28% | 0.282 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.6 | -45.7 | 176.6 | -69.9 | 168.8 | 0 | 0 | 0 | 110.6 | H224 L225 Q230 Q231 Y232 | H224-I228 WeakPolarHBondContact CE1-CD1 3.49Å; H224-I228 WeakPolarHBondContact O-CG1 3.44Å; H224-I228 PolarHBondContact O-N 3.38Å; H224-I228 VanDerWaalsContact O-N 3.07Å; L225-I228 PolarHBondContact O-N 3.03Å; I228-Q230 PolarHBondContact O-N 3.32Å; I228-Q231 WeakPolarHBondContact O-CB 3.27Å; I228-Q231 PolarHBondContact O-N 2.58Å; I228-Q231 VanDerWaalsContact O-N 3.13Å; I228-Y232 HydrophobicContact CG2-CD2 3.72Å; I228-Y232 HydrophobicContact CG2-CE2 3.79Å; I228-Y232 WeakPolarHBondContact O-CD2 3.43Å; I228-Y232 PolarHBondContact O-N 2.81Å |
| 229 | L | 94.9 | Very high | 87 | Confident | 114 Ų | 114 | 110.3 Ų | 110.3 | 60% | 0.597 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.2 | -42.1 | 178.8 | -69 | 175.1 | 0 | 0 | 0 | 111.8 | L225 Q231 Y232 L233 | L225-L229 WeakPolarHBondContact O-CG 3.32Å; L225-L229 PolarHBondContact O-N 2.92Å; L229-Q231 VanDerWaalsContact C-N 3.3Å; L229-Q231 PolarHBondContact O-N 3.49Å; L229-Y232 PolarHBondContact O-N 2.86Å; L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 3.09Å |
| 230 | Q | 93.9 | Very high | 84.9 | Confident | 110 Ų | 110 | 107.7 Ų | 107.7 | 51% | 0.514 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.5 | -36.9 | 172.9 | -75.9 | 178.3 | -1.4 | 0 | 0 | 112.4 | S226 L227 I228 K234 | S226-Q230 WeakPolarHBondContact O-CB 3.36Å; S226-Q230 VanDerWaalsContact O-CG 3.29Å; S226-Q230 WeakPolarHBondContact O-CG 3.41Å; S226-Q230 PolarHBondContact O-N 3.43Å; L227-Q230 PolarHBondContact O-N 3.12Å; I228-Q230 PolarHBondContact O-N 3.32Å; Q230-K234 WeakPolarHBondContact O-CG 3.08Å; Q230-K234 PolarHBondContact O-N 2.78Å |
| 231 | Q | 94.4 | Very high | 82.1 | Confident | 111 Ų | 111 | 103.5 Ų | 103.5 | 52% | 0.519 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65 | -43.7 | 173.7 | -78.3 | 176.4 | -14.3 | 0 | 0 | 111.9 | L227 I228 L229 L233 K234 Q235 | L227-Q231 WeakPolarHBondContact O-CB 3.38Å; L227-Q231 WeakPolarHBondContact O-CG 3.38Å; L227-Q231 PolarHBondContact O-N 3.01Å; I228-Q231 WeakPolarHBondContact O-CB 3.27Å; I228-Q231 PolarHBondContact O-N 2.58Å; I228-Q231 VanDerWaalsContact O-N 3.13Å; L229-Q231 VanDerWaalsContact C-N 3.3Å; L229-Q231 PolarHBondContact O-N 3.49Å; Q231-L233 PolarHBondContact O-N 2.85Å; Q231-K234 PolarHBondContact O-N 3Å; Q231-Q235 WeakPolarHBondContact O-CG 3.43Å; Q231-Q235 PolarHBondContact O-N 2.99Å |
| 232 | Y | 94 | Very high | 80 | Confident | 142 Ų | 142 | 103.3 Ų | 103.3 | 56% | 0.557 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.3 | -44.8 | 175.8 | -94.5 | -76.7 | 0 | 0 | 0 | 112.2 | I228 L229 K234 Q235 Q236 | I228-Y232 HydrophobicContact CG2-CD2 3.72Å; I228-Y232 HydrophobicContact CG2-CE2 3.79Å; I228-Y232 WeakPolarHBondContact O-CD2 3.43Å; I228-Y232 PolarHBondContact O-N 2.81Å; L229-Y232 PolarHBondContact O-N 2.86Å; Y232-K234 VanDerWaalsContact C-N 3.32Å; Y232-K234 PolarHBondContact O-N 2.9Å; Y232-Q235 PolarHBondContact O-N 3.02Å; Y232-Q235 VanDerWaalsContact O-N 3.16Å; Y232-Q236 WeakPolarHBondContact O-CB 3.18Å; Y232-Q236 PolarHBondContact O-N 2.85Å |
| 233 | L | 93.4 | Very high | 77.6 | Confident | 118 Ų | 118 | 107.2 Ų | 107.2 | 62% | 0.618 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.6 | -40.9 | 175.4 | -72.8 | 173.3 | 0 | 0 | 0 | 112 | L229 Q231 Q235 Q236 A237 | L229-L233 WeakPolarHBondContact O-CG 3.37Å; L229-L233 PolarHBondContact O-N 3.09Å; Q231-L233 PolarHBondContact O-N 2.85Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 3.04Å; L233-Q236 PolarHBondContact O-N 2.96Å; L233-A237 PolarHBondContact O-N 3.48Å; L233-A237 VanDerWaalsContact O-N 3.11Å |
| 234 | K | 88.9 | Confident | 74.9 | Confident | 161 Ų | 161 | 107.2 Ų | 107.2 | 70% | 0.7 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67 | -30.2 | 175.6 | -77.1 | -179.6 | 178.1 | -179.1 | 0 | 113.4 | Q230 Q231 Y232 | Q230-K234 WeakPolarHBondContact O-CG 3.08Å; Q230-K234 PolarHBondContact O-N 2.78Å; Q231-K234 PolarHBondContact O-N 3Å; Y232-K234 VanDerWaalsContact C-N 3.32Å; Y232-K234 PolarHBondContact O-N 2.9Å |
| 235 | Q | 85.3 | Confident | 72.3 | Confident | 141 Ų | 141 | 109 Ų | 109 | 66% | 0.659 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -81.3 | -32.2 | 176.9 | -71.9 | 173.9 | 3.2 | 0 | 0 | 112.7 | Q231 Y232 L233 A237 | Q231-Q235 WeakPolarHBondContact O-CG 3.43Å; Q231-Q235 PolarHBondContact O-N 2.99Å; Y232-Q235 PolarHBondContact O-N 3.02Å; Y232-Q235 VanDerWaalsContact O-N 3.16Å; L233-Q235 VanDerWaalsContact C-N 3.32Å; L233-Q235 PolarHBondContact O-N 3.04Å; Q235-A237 VanDerWaalsContact C-N 3.29Å |
| 236 | Q | 76 | Confident | 69.6 | Low | 151 Ų | 151 | 110.8 Ų | 110.8 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -72.8 | -21.3 | 172.8 | -84.4 | -179.1 | -21.4 | 0 | 0 | 112.9 | Y232 L233 P238 | Y232-Q236 WeakPolarHBondContact O-CB 3.18Å; Y232-Q236 PolarHBondContact O-N 2.85Å; L233-Q236 PolarHBondContact O-N 2.96Å; Q236-P238 WeakPolarHBondContact O-CD 3.09Å |
| 237 | A | 62.7 | Low | 66.9 | Low | 63 Ų | 63 | 111.1 Ų | 111.1 | 52% | 0.521 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -67.7 | 109.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | L233 Q235 | L233-A237 PolarHBondContact O-N 3.48Å; L233-A237 VanDerWaalsContact O-N 3.11Å; Q235-A237 VanDerWaalsContact C-N 3.29Å |
| 238 | P | 47.9 | Very low | 63.9 | Low | 104 Ų | 104 | 115.6 Ų | 115.6 | 68% | 0.675 | 68% | 0.679 | S | S | * | * | trans | -68.1 | 151.4 | -177 | 29.7 | -32.8 | 0 | 0 | 0 | 110.2 | Q236 G240 | Q236-P238 WeakPolarHBondContact O-CD 3.09Å; P238-G240 VanDerWaalsContact C-N 3.31Å; P238-G240 PolarHBondContact O-N 2.89Å | ||
| 239 | A | 52 | Low | 61.1 | Low | 116 Ų | 116 | 118.1 Ų | 118.1 | 96% | 0.959 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -58.1 | 97.2 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 240 | G | 47 | Very low | 58.4 | Low | 62 Ų | 62 | 118.1 Ų | 118.1 | 64% | 0.639 | 71% | 0.708 | S | S | * | * | trans | 134.4 | 83.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P238 | P238-G240 VanDerWaalsContact C-N 3.31Å; P238-G240 PolarHBondContact O-N 2.89Å | ||
| 241 | S | 35.4 | Very low | 55.9 | Low | 112 Ų | 112 | 118.8 Ų | 118.8 | 78% | 0.783 | 72% | 0.721 | S | S | * | * | -149.4 | 95.2 | 128.5 | 51.4 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 242 | T | 46.2 | Very low | 53 | Low | 127 Ų | 127 | 122.9 Ų | 122.9 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | trans | -52.4 | 134.4 | 144.2 | 45.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 243 | N | 44.4 | Very low | 50.3 | Low | 158 Ų | 158 | 120.8 Ų | 120.8 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | 89.3 | 100.9 | 167 | -52.4 | -16.6 | 0 | 0 | 0 | 116.5 | ||||
| 244 | G | 38.3 | Very low | 47.6 | Very low | 70 Ų | 70 | 123.8 Ų | 123.8 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | 174.8 | 75.4 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | P246 | G244-P246 WeakPolarHBondContact O-CD 3.36Š| ||
| 245 | T | 40.1 | Very low | 45.1 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | -42.9 | 136.9 | 172.8 | -29.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 246 | P | 37.7 | Very low | 42.9 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -119.3 | 104.2 | 138.7 | 11.1 | 8.9 | 0 | 0 | 0 | 108.4 | G244 E248 | G244-P246 WeakPolarHBondContact O-CD 3.36Å; P246-E248 PolarHBondContact O-N 3.17Å | ||
| 247 | G | 39.9 | Very low | 41.2 | Very low | 62 Ų | 62 | 126.3 Ų | 126.3 | 64% | 0.639 | 82% | 0.815 | S | S | * | * | trans | -65.9 | 124.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 248 | E | 33.7 | Very low | 40.1 | Very low | 187 Ų | 187 | 129.5 Ų | 129.5 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | 174.8 | 103.3 | 120 | -100.2 | 177.4 | 155.7 | 0 | 0 | 108.1 | P246 | P246-E248 PolarHBondContact O-N 3.17Š| |||
| 249 | S | 36.4 | Very low | 39.7 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 75% | 0.748 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 130.9 | 157 | 44.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 250 | P | 39.3 | Very low | 39.1 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 75% | 0.747 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 135.5 | 161.7 | 27.5 | -30.1 | 0 | 0 | 0 | 108.6 | K252 | P250-K252 PolarHBondContact O-N 3.03Š|
| 251 | P | 39.9 | Very low | 38.6 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 80% | 0.799 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 134.9 | 175.2 | 25.4 | -31.3 | 0 | 0 | 0 | 110 | A253 | P251-A253 PolarHBondContact O-N 3.48Š|
| 252 | K | 35.4 | Very low | 38.8 | Very low | 198 Ų | 198 | 137.2 Ų | 137.2 | 86% | 0.861 | 85% | 0.846 | S | S | * | * | trans | -55.6 | 115.7 | 159.8 | -73.9 | 174.6 | 173 | 178.7 | 0 | 107.9 | P250 E254 | P250-K252 PolarHBondContact O-N 3.03Å; K252-E254 PolarHBondContact O-N 3.26Å | ||
| 253 | A | 36.1 | Very low | 38.3 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 81% | 0.81 | 85% | 0.85 | S | S | * | * | trans | -80.2 | 100 | 155.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | P251 | P251-A253 PolarHBondContact O-N 3.48Š| ||
| 254 | E | 36.7 | Very low | 37.9 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 84% | 0.841 | 85% | 0.85 | S | S | * | * | trans | -67.5 | 120.5 | 147.3 | -75.9 | 174.3 | 153 | 0 | 0 | 107 | K252 | K252-E254 PolarHBondContact O-N 3.26Š| ||
| 255 | E | 36.6 | Very low | 37.8 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 89% | 0.893 | 86% | 0.86 | S | S | * | * | trans | -133.5 | 99.9 | 157.8 | -124.9 | 174.9 | -173 | 0 | 0 | 108 | ||||
| 256 | T | 39.8 | Very low | 37.6 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 85% | 0.853 | 86% | 0.86 | S | S | * | * | trans | -76.9 | 114.8 | 156.2 | 44.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 257 | A | 40 | Very low | 37.6 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 100% | 1.455 | 87% | 0.865 | S | S | * | * | trans | -165 | 0 | 141.9 | 0 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 257 of 257 residues in 610.4 ms
(Link to these results)