| 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 | 46.2 | Very low | 40 | Very low | 246 Ų | 246 | 153.1 Ų | 153.1 | 100% | 1.212 | 88% | 0.882 | S | S | * | * | 0 | 95.5 | 0 | -85 | -179.4 | 172.7 | 0 | 0 | 107.2 | |||||
| 2 | E | 35.6 | Very low | 40.1 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 93% | 0.925 | 87% | 0.866 | S | S | * | * | trans | -156.1 | 126.2 | 161.8 | -110.5 | 177.1 | -177.4 | 0 | 0 | 105.6 | ||||
| 3 | T | 38.2 | Very low | 40.1 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 86% | 0.859 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 129.8 | -160.9 | 43.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 4 | A | 38.2 | Very low | 40 | Very low | 93 Ų | 93 | 150.7 Ų | 150.7 | 77% | 0.769 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 141.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 5 | P | 41.4 | Very low | 39.9 | Very low | 126 Ų | 126 | 156.7 Ų | 156.7 | 82% | 0.818 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 141.6 | 174.6 | 30.9 | -31 | 0 | 0 | 0 | 112.2 | ||
| 6 | K | 42.4 | Very low | 40 | Very low | 202 Ų | 202 | 156.7 Ų | 156.7 | 88% | 0.878 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 147.9 | 177.6 | -67.6 | 172.9 | 177.1 | 173.9 | 0 | 112 | ||
| 7 | P | 42.4 | Very low | 39.8 | Very low | 130 Ų | 130 | 158.4 Ų | 158.4 | 84% | 0.844 | 86% | 0.859 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 132.3 | 173.8 | 31.2 | -31.3 | 0 | 0 | 0 | 111.7 | ||
| 8 | G | 39.2 | Very low | 39.5 | Very low | 79 Ų | 79 | 156.6 Ų | 156.6 | 81% | 0.814 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 140 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 9 | R | 39.3 | Very low | 39.4 | Very low | 257 Ų | 257 | 158 Ų | 158 | 97% | 0.97 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 146.1 | 171.4 | -73.2 | 179.9 | 176.9 | -157.2 | -1.4 | 111.1 | ||
| 10 | G | 37.7 | Very low | 39.4 | Very low | 75 Ų | 75 | 154.4 Ų | 154.4 | 77% | 0.773 | 85% | 0.849 | S | S | * | * | trans | 112.7 | 64.6 | 146.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 11 | V | 40 | Very low | 39.5 | Very low | 138 Ų | 138 | 156.7 Ų | 156.7 | 84% | 0.836 | 85% | 0.85 | S | S | * | * | trans | -107.2 | 124.9 | 154.4 | -176.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 12 | P | 41.3 | Very low | 40 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 69% | 0.688 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 141.7 | 177.6 | 27.2 | -31.8 | 0 | 0 | 0 | 109.3 | K14 | P12-K14 PolarHBondContact O-N 3.17Å; P12-K14 VanDerWaalsContact O-N 3.15Å |
| 13 | P | 40.1 | Very low | 41.2 | Very low | 123 Ų | 123 | 149.3 Ų | 149.3 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 123.8 | 177 | 25.2 | -31.6 | 0 | 0 | 0 | 108.6 | R15 | P13-R15 PolarHBondContact O-N 3.09Å; P13-R15 VanDerWaalsContact O-N 3.08Å |
| 14 | K | 38.4 | Very low | 42.6 | Very low | 197 Ų | 197 | 149.3 Ų | 149.3 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 119.6 | 166.1 | -80.4 | 177.2 | 175.8 | 173.9 | 0 | 106.3 | P12 D16 | P12-K14 PolarHBondContact O-N 3.17Å; P12-K14 VanDerWaalsContact O-N 3.15Å; K14-D16 PolarHBondContact O-N 2.88Å |
| 15 | R | 38.1 | Very low | 43.9 | Very low | 240 Ų | 240 | 146.5 Ų | 146.5 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | -49.6 | 111.8 | 168.5 | -82.2 | 176.9 | 167.4 | 178 | -4.7 | 107.5 | P13 K17 | P13-R15 PolarHBondContact O-N 3.09Å; P13-R15 VanDerWaalsContact O-N 3.08Å; R15-K17 PolarHBondContact O-N 3.16Å | ||
| 16 | D | 41.9 | Very low | 45.1 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | -55.7 | 108.5 | 166.5 | -73.2 | -40.8 | 0 | 0 | 0 | 106.7 | K14 | K14-D16 PolarHBondContact O-N 2.88Š| ||
| 17 | K | 36 | Very low | 46.6 | Very low | 186 Ų | 186 | 142.4 Ų | 142.4 | 81% | 0.809 | 73% | 0.729 | S | S | * | * | trans | -55.7 | 131.9 | 163.9 | -72.7 | -179.6 | 176.5 | -178.6 | 0 | 105.4 | R15 Q19 | R15-K17 PolarHBondContact O-N 3.16Å; K17-Q19 PolarHBondContact O-N 2.93Å | ||
| 18 | P | 35.4 | Very low | 47.2 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | -58.2 | 108.7 | 173.4 | 24.3 | -31.1 | 0 | 0 | 0 | 106.4 | A20 | P18-A20 VanDerWaalsContact C-N 3.28Å; P18-A20 PolarHBondContact O-N 3.45Å | ||
| 19 | Q | 36.6 | Very low | 48.2 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | trans | -61.2 | 105.4 | 162.4 | -76.3 | -175.2 | -4.2 | 0 | 0 | 103.9 | K17 K21 | K17-Q19 PolarHBondContact O-N 2.93Å; Q19-K21 PolarHBondContact O-N 2.96Å | ||
| 20 | A | 38.9 | Very low | 49 | Very low | 86 Ų | 86 | 141 Ų | 141 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | trans | -48 | 116 | 168.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | P18 R22 | P18-A20 VanDerWaalsContact C-N 3.28Å; P18-A20 PolarHBondContact O-N 3.45Å; A20-R22 PolarHBondContact O-N 3.36Å | ||
| 21 | K | 43.4 | Very low | 49.5 | Very low | 202 Ų | 202 | 145.7 Ų | 145.7 | 88% | 0.878 | 69% | 0.69 | S | S | * | * | trans | -55.6 | 109.8 | 179 | -73.3 | -176.4 | 178.5 | -179.6 | 0 | 105.8 | Q19 K23 | Q19-K21 PolarHBondContact O-N 2.96Å; K21-K23 PolarHBondContact O-N 3.25Å | ||
| 22 | R | 55.9 | Low | 49.6 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 57% | 0.566 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 124 | -179.6 | -62.5 | 176.3 | 81.8 | -169.5 | 3 | 106.1 | A20 K24 K169 | A20-R22 PolarHBondContact O-N 3.36Å; R22-K24 PolarHBondContact O-N 3.09Å; R22-K169 PolarHBondContact NH2-O 3.38Å |
| 23 | K | 61.5 | Low | 49.1 | Very low | 140 Ų | 140 | 147.4 Ų | 147.4 | 61% | 0.609 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 130.3 | 174.4 | -72.2 | -173.8 | -173.5 | 170.2 | 0 | 107.5 | K21 E162 E165 | K21-K23 PolarHBondContact O-N 3.25Å; K23-E162 IonicContact NZ-OE2 2.89Å; K23-E162 PolarHBondContact NZ-OE2 3.13Å; K23-E165 WeakPolarHBondContact CD-OE1 3.39Å; K23-E165 IonicContact NZ-OE1 3.37Å |
| 24 | K | 67.2 | Low | 48.6 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 60% | 0.604 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 140 | 174 | -66 | -168.7 | 176.1 | -155.1 | 0 | 108.3 | R22 R26 E177 | R22-K24 PolarHBondContact O-N 3.09Å; K24-R26 PolarHBondContact O-N 2.82Å; K24-E177 IonicContact NZ-OE2 3.92Å; K24-E177 PolarHBondContact NZ-OE2 3Å |
| 25 | P | 65.4 | Low | 48.4 | Very low | 34 Ų | 34 | 143.6 Ų | 143.6 | 22% | 0.221 | 68% | 0.683 | C | S | . | * | P | Polyproline II helix | trans | -56.9 | 126.4 | 173.7 | 21.1 | -28.9 | 0 | 0 | 0 | 109.1 | D174 A178 | P25-D174 HydrophobicContact CG-CB 3.82Å; P25-D174 WeakPolarHBondContact CG-O 3.26Å; P25-A178 HydrophobicContact CB-CB 4.41Å; P25-A178 HydrophobicContact CG-CB 3.99Å |
| 26 | R | 67.1 | Low | 47.9 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 58% | 0.581 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 144.6 | -177 | -78.9 | 177.3 | 150.1 | -173.7 | -12.7 | 110.9 | K24 E32 E162 | K24-R26 PolarHBondContact O-N 2.82Å; R26-E32 IonicContact CZ-OE1 2.81Å; R26-E32 IonicContact NH2-OE1 3.76Å; R26-E32 PolarHBondContact NH2-OE1 3.46Å; R26-E162 IonicContact NH1-OE1 3.07Å |
| 27 | R | 72.3 | Confident | 47.4 | Very low | 88 Ų | 88 | 133.8 Ų | 133.8 | 33% | 0.332 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -79.9 | 143.6 | 172.6 | -67.4 | 174.9 | 171.4 | 171.5 | 2.1 | 109.7 | W29 E30 E177 A178 | R27-W29 HydrophobicContact CB-CD2 4.35Å; R27-W29 HydrophobicContact CB-CZ2 4.25Å; R27-W29 HydrophobicContact CG-CZ2 4.23Å; R27-W29 PolarHBondContact O-N 3.07Å; R27-W29 VanDerWaalsContact O-N 3.14Å; R27-E30 HydrophobicContact CB-CB 4.37Å; R27-E30 HydrophobicContact CB-CG 3.97Å; R27-E30 WeakPolarHBondContact CD-OE1 3.41Å; R27-E30 PolarHBondContact O-N 3.38Å; R27-E30 VanDerWaalsContact O-N 3.1Å; R27-E177 PolarHBondContact NH2-O 2.8Å; R27-A178 WeakPolarHBondContact CG-O 3.49Å; R27-A178 PolarHBondContact NE-O 3.5Å |
| 28 | Y | 56.3 | Low | 47.4 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -17.8 | -175.6 | 76.7 | -101.2 | 0 | 0 | 0 | 114.2 | ||
| 29 | W | 58.9 | Low | 47.1 | Very low | 142 Ų | 142 | 130.5 Ų | 130.5 | 54% | 0.538 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.7 | 1.4 | 177.1 | 58.8 | 74.5 | 0 | 0 | 0 | 113.8 | R27 E31 | R27-W29 HydrophobicContact CB-CD2 4.35Å; R27-W29 HydrophobicContact CB-CZ2 4.25Å; R27-W29 HydrophobicContact CG-CZ2 4.23Å; R27-W29 PolarHBondContact O-N 3.07Å; R27-W29 VanDerWaalsContact O-N 3.14Å; W29-E31 PolarHBondContact O-N 3.39Å; W29-E31 VanDerWaalsContact O-N 3.14Å |
| 30 | E | 56.8 | Low | 46.9 | Very low | 107 Ų | 107 | 126.1 Ų | 126.1 | 50% | 0.5 | 67% | 0.674 | S | S | . | * | trans | -85.2 | 64 | 170.2 | -73.8 | 175 | 176.1 | 0 | 0 | 109.1 | R27 | R27-E30 HydrophobicContact CB-CB 4.37Å; R27-E30 HydrophobicContact CB-CG 3.97Å; R27-E30 WeakPolarHBondContact CD-OE1 3.41Å; R27-E30 PolarHBondContact O-N 3.38Å; R27-E30 VanDerWaalsContact O-N 3.1Å | ||
| 31 | E | 47.2 | Very low | 46.5 | Very low | 173 Ų | 173 | 127.6 Ų | 127.6 | 81% | 0.808 | 68% | 0.679 | S | S | * | * | trans | -71 | 136.8 | 164.1 | -75.2 | -169.2 | 163.2 | 0 | 0 | 109.6 | W29 T33 | W29-E31 PolarHBondContact O-N 3.39Å; W29-E31 VanDerWaalsContact O-N 3.14Å; E31-T33 PolarHBondContact O-N 2.78Å; E31-T33 VanDerWaalsContact O-N 3.14Å | ||
| 32 | E | 42.5 | Very low | 46.3 | Very low | 140 Ų | 140 | 124.2 Ų | 124.2 | 65% | 0.654 | 68% | 0.677 | S | S | * | * | trans | -63.5 | 113.4 | 171.4 | -72 | 179 | -171.7 | 0 | 0 | 108.9 | R26 T34 | R26-E32 IonicContact CZ-OE1 2.81Å; R26-E32 IonicContact NH2-OE1 3.76Å; R26-E32 PolarHBondContact NH2-OE1 3.46Å; E32-T34 PolarHBondContact O-N 3.18Å | ||
| 33 | T | 30.8 | Very low | 45.2 | Very low | 139 Ų | 139 | 120.3 Ų | 120.3 | 85% | 0.853 | 68% | 0.684 | S | S | * | * | trans | -61.3 | 89 | 163 | 46.7 | 0 | 0 | 0 | 0 | 108.4 | E31 | E31-T33 PolarHBondContact O-N 2.78Å; E31-T33 VanDerWaalsContact O-N 3.14Å | ||
| 34 | T | 30.6 | Very low | 44.1 | Very low | 105 Ų | 105 | 119.6 Ų | 119.6 | 64% | 0.644 | 69% | 0.693 | S | S | * | * | trans | -69.2 | 126.5 | 157.8 | 43.6 | 0 | 0 | 0 | 0 | 106.9 | E32 A36 | E32-T34 PolarHBondContact O-N 3.18Å; T34-A36 PolarHBondContact O-N 2.78Å | ||
| 35 | P | 32.6 | Very low | 42.6 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | trans | -75.1 | 81.3 | 176.8 | 29.8 | -31 | 0 | 0 | 0 | 108.3 | ||||
| 36 | A | 29 | Very low | 41 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 130.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109 | T34 | T34-A36 PolarHBondContact O-N 2.78Š|
| 37 | A | 30 | Very low | 39.3 | Very low | 102 Ų | 102 | 131.8 Ų | 131.8 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 141.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | A39 | A37-A39 PolarHBondContact O-N 3.38Š|
| 38 | V | 36.1 | Very low | 37.5 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 122.7 | 170.6 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 39 | A | 30.7 | Very low | 36.4 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -140.1 | 85.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | A37 | A37-A39 PolarHBondContact O-N 3.38Š| ||
| 40 | A | 31.8 | Very low | 35 | Very low | 93 Ų | 93 | 137.5 Ų | 137.5 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -81.4 | 130.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 41 | S | 31.3 | Very low | 33.7 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -110.6 | 139.3 | 158.7 | -72 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 42 | P | 37.3 | Very low | 33 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 129 | -162.4 | 32.8 | -32.7 | 0 | 0 | 0 | 112.8 | ||
| 43 | G | 33.7 | Very low | 32.4 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 152.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 44 | P | 37.8 | Very low | 32.3 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 160.6 | -172.8 | 31.2 | -34.5 | 0 | 0 | 0 | 113.4 | ||
| 45 | P | 36 | Very low | 32.4 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 138.1 | -159.8 | 31.8 | -33.9 | 0 | 0 | 0 | 113.8 | ||
| 46 | R | 33 | Very low | 32.5 | Very low | 251 Ų | 251 | 140.3 Ų | 140.3 | 95% | 0.947 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 120 | 165.4 | -85.7 | 177.8 | 164.9 | 177.7 | -3.8 | 110.4 | ||
| 47 | K | 31.4 | Very low | 32.7 | Very low | 209 Ų | 209 | 142.1 Ų | 142.1 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 135.8 | 167.6 | -77.1 | -174.6 | 176.3 | 179.9 | 0 | 111.3 | ||
| 48 | K | 33.4 | Very low | 32.9 | Very low | 207 Ų | 207 | 149.1 Ų | 149.1 | 90% | 0.9 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 141.4 | 174.4 | -75.6 | -178.8 | 175.4 | 177.7 | 0 | 112.2 | ||
| 49 | A | 33.7 | Very low | 32.6 | Very low | 95 Ų | 95 | 148.1 Ų | 148.1 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | 21.7 | 131 | 145.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 50 | R | 29.1 | Very low | 32.6 | Very low | 237 Ų | 237 | 152.6 Ų | 152.6 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | trans | 165.4 | 146.8 | 133.2 | -94.6 | -178.7 | 170.2 | 177.5 | -3.6 | 106.3 | ||||
| 51 | T | 29.2 | Very low | 32.5 | Very low | 129 Ų | 129 | 153.7 Ų | 153.7 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | cis | -167.6 | 155.4 | 21.6 | 5.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 52 | G | 32.2 | Very low | 32.4 | Very low | 71 Ų | 71 | 152.8 Ų | 152.8 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | trans | -72.2 | 161 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 53 | E | 30.6 | Very low | 32.2 | Very low | 190 Ų | 190 | 155.1 Ų | 155.1 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | -168.2 | 133.1 | 140.6 | -111 | 167.7 | -171.6 | 0 | 0 | 113 | ||||
| 54 | S | 29.3 | Very low | 32 | Very low | 107 Ų | 107 | 159.9 Ų | 159.9 | 75% | 0.748 | 84% | 0.841 | S | S | * | * | trans | 38.6 | 117.5 | 150.5 | 60 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 55 | R | 31.6 | Very low | 31.5 | Very low | 243 Ų | 243 | 158.1 Ų | 158.1 | 92% | 0.917 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 138.5 | 150.4 | -75.4 | 176.4 | 170.1 | 173.3 | -2.4 | 110.5 | ||
| 56 | P | 35.5 | Very low | 31.5 | Very low | 119 Ų | 119 | 161.2 Ų | 161.2 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 155.8 | 160.8 | 33.9 | -27.8 | 0 | 0 | 0 | 111.4 | ||
| 57 | P | 34.1 | Very low | 31.5 | Very low | 127 Ų | 127 | 159.2 Ų | 159.2 | 83% | 0.825 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 156.9 | -165.9 | 34.7 | -34.3 | 0 | 0 | 0 | 113.3 | ||
| 58 | R | 32.4 | Very low | 31.7 | Very low | 248 Ų | 248 | 154.5 Ų | 154.5 | 94% | 0.936 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 126.8 | 166.8 | -79.5 | 175.9 | 162 | 176.4 | -5.7 | 110 | ||
| 59 | S | 30 | Very low | 31.7 | Very low | 120 Ų | 120 | 156.3 Ų | 156.3 | 84% | 0.839 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 138.7 | 159.4 | 56.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 60 | K | 31.1 | Very low | 31.9 | Very low | 195 Ų | 195 | 161.8 Ų | 161.8 | 85% | 0.848 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 146.4 | 175.3 | -78.7 | 176.9 | 173.1 | 177.5 | 0 | 110.1 | ||
| 61 | S | 30 | Very low | 32.1 | Very low | 116 Ų | 116 | 155.5 Ų | 155.5 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | trans | 62.9 | 122.7 | 146.9 | 58.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 62 | A | 29.8 | Very low | 32.6 | Very low | 99 Ų | 99 | 158.5 Ų | 158.5 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | -166.5 | 151 | 107 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 63 | H | 31.7 | Very low | 32.6 | Very low | 179 Ų | 179 | 164.1 Ų | 164.1 | 83% | 0.829 | 84% | 0.839 | S | S | * | * | trans | -58.5 | 156.5 | -179.1 | -71.7 | -90.9 | 0 | 0 | 0 | 114.6 | ||||
| 64 | I | 29.3 | Very low | 32.7 | Very low | 167 Ų | 167 | 160.3 Ų | 160.3 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | 174.4 | 140.6 | 117.8 | -87.4 | 155.5 | 0 | 0 | 0 | 112.2 | |||||
| 65 | A | 27.7 | Very low | 33.1 | Very low | 89 Ų | 89 | 161.4 Ų | 161.4 | 74% | 0.736 | 84% | 0.835 | S | S | * | * | trans | 74.2 | 107.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 66 | Q | 37.5 | Very low | 33.1 | Very low | 188 Ų | 188 | 157.1 Ų | 157.1 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -46.1 | 133.3 | 144.9 | -65.8 | 178.7 | -34 | 0 | 0 | 111.7 | ||||
| 67 | K | 31.8 | Very low | 33 | Very low | 208 Ų | 208 | 156 Ų | 156 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | -158 | 117.2 | 140.7 | -107.1 | 165.1 | -167.8 | -178.9 | 0 | 110.5 | ||||
| 68 | S | 35.7 | Very low | 33.2 | Very low | 110 Ų | 110 | 159.6 Ų | 159.6 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | trans | -52.2 | 135.2 | 165 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 69 | R | 33.9 | Very low | 33.4 | Very low | 245 Ų | 245 | 153.5 Ų | 153.5 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | trans | -165.9 | 103.5 | 141.2 | -104.7 | 163.7 | -168.8 | -165.2 | 3 | 109.3 | S71 | R69-S71 PolarHBondContact O-N 2.88Š| ||
| 70 | F | 36.3 | Very low | 33.8 | Very low | 211 Ų | 211 | 151 Ų | 151 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -59.4 | 109.8 | 163.4 | -110 | -97.8 | 0 | 0 | 0 | 108.6 | ||||
| 71 | S | 35 | Very low | 34.2 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -104.7 | 110.3 | 159.8 | 57.2 | 0 | 0 | 0 | 0 | 108.2 | R69 K73 | R69-S71 PolarHBondContact O-N 2.88Å; S71-K73 PolarHBondContact O-N 3.39Å; S71-K73 VanDerWaalsContact O-N 3.12Å | ||
| 72 | K | 39 | Very low | 34.7 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -64.9 | 108 | 172.1 | -72.6 | 178.6 | 176.9 | 176.5 | 0 | 107.8 | ||||
| 73 | K | 32.5 | Very low | 35.4 | Very low | 190 Ų | 190 | 151.3 Ų | 151.3 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 136.8 | 162.1 | -71.2 | -176.4 | 177.8 | -178.9 | 0 | 108.2 | S71 | S71-K73 PolarHBondContact O-N 3.39Å; S71-K73 VanDerWaalsContact O-N 3.12Å |
| 74 | P | 32.4 | Very low | 36.2 | Very low | 109 Ų | 109 | 152 Ų | 152 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 151.2 | 175.2 | 28.2 | -32.3 | 0 | 0 | 0 | 109.9 | I76 | P74-I76 PolarHBondContact O-N 3.26Š|
| 75 | P | 37.2 | Very low | 36.9 | Very low | 130 Ų | 130 | 152 Ų | 152 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 117.3 | 178 | 27.9 | -30.6 | 0 | 0 | 0 | 108.8 | S77 | P75-S77 PolarHBondContact O-N 2.79Å; P75-S77 VanDerWaalsContact O-N 3.13Å |
| 76 | I | 32.9 | Very low | 37.7 | Very low | 153 Ų | 153 | 153.2 Ų | 153.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -64.6 | 112.4 | 167 | -63.8 | 166.4 | 0 | 0 | 0 | 106.1 | P74 K78 | P74-I76 PolarHBondContact O-N 3.26Å; I76-K78 PolarHBondContact O-N 3.21Å | ||
| 77 | S | 32.5 | Very low | 38.4 | Very low | 97 Ų | 97 | 152.8 Ų | 152.8 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | -60.2 | 108.3 | 169.4 | 54.5 | 0 | 0 | 0 | 0 | 108.1 | P75 T79 | P75-S77 PolarHBondContact O-N 2.79Å; P75-S77 VanDerWaalsContact O-N 3.13Å; S77-T79 PolarHBondContact O-N 2.88Å | ||
| 78 | K | 38.2 | Very low | 39.3 | Very low | 201 Ų | 201 | 154.6 Ų | 154.6 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -71 | 86.3 | 168.2 | -68.3 | -177.1 | 179.3 | -179.8 | 0 | 107.8 | I76 A80 | I76-K78 PolarHBondContact O-N 3.21Å; K78-A80 PolarHBondContact O-N 3.48Å | ||
| 79 | T | 37.6 | Very low | 40.2 | Very low | 121 Ų | 121 | 152.2 Ų | 152.2 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 128.1 | 157.6 | 35.1 | 0 | 0 | 0 | 0 | 107.2 | S77 | S77-T79 PolarHBondContact O-N 2.88Š|
| 80 | A | 37.6 | Very low | 41.4 | Very low | 66 Ų | 66 | 149.9 Ų | 149.9 | 55% | 0.545 | 76% | 0.76 | S | S | . | * | P | Polyproline II helix | trans | -56.9 | 137.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | K78 D82 W83 | K78-A80 PolarHBondContact O-N 3.48Å; A80-D82 PolarHBondContact O-N 3.28Å; A80-W83 HydrophobicContact CB-CH2 3.66Å; A80-W83 HydrophobicContact CB-CZ2 4.35Å; A80-W83 HydrophobicContact CB-CZ3 4.28Å |
| 81 | P | 39.9 | Very low | 42.9 | Very low | 89 Ų | 89 | 144.3 Ų | 144.3 | 58% | 0.578 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.7 | -179.6 | 25.3 | -32 | 0 | 0 | 0 | 109.4 | W83 | P81-W83 VanDerWaalsContact O-CE2 3.29Å; P81-W83 PolarHBondContact O-N 2.82Å |
| 82 | D | 39.6 | Very low | 44.2 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | trans | -68.8 | 99 | -177.9 | -142.7 | -4.4 | 0 | 0 | 0 | 109.4 | A80 K84 K85 | A80-D82 PolarHBondContact O-N 3.28Å; D82-K84 PolarHBondContact O-N 3.46Å; D82-K85 PolarHBondContact O-N 2.78Å | ||
| 83 | W | 45.9 | Very low | 45.6 | Very low | 209 Ų | 209 | 136.3 Ų | 136.3 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 0.6 | -174.3 | -54.9 | -93.1 | 0 | 0 | 0 | 114.8 | A80 P81 K85 | A80-W83 HydrophobicContact CB-CH2 3.66Å; A80-W83 HydrophobicContact CB-CZ2 4.35Å; A80-W83 HydrophobicContact CB-CZ3 4.28Å; P81-W83 VanDerWaalsContact O-CE2 3.29Å; P81-W83 PolarHBondContact O-N 2.82Å; W83-K85 VanDerWaalsContact C-N 3.34Å |
| 84 | K | 48 | Very low | 47.3 | Very low | 193 Ų | 193 | 135.6 Ų | 135.6 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -4.4 | 178.9 | -72.6 | -174.7 | 177.2 | -179.4 | 0 | 114.4 | D82 | D82-K84 PolarHBondContact O-N 3.46Š|
| 85 | K | 43.9 | Very low | 49.2 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 73% | 0.726 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -108.2 | 125.8 | 173.6 | -67.6 | -174.7 | -177.6 | -179.9 | 0 | 110 | D82 W83 Q87 | D82-K85 PolarHBondContact O-N 2.78Å; W83-K85 VanDerWaalsContact C-N 3.34Å; K85-Q87 PolarHBondContact O-N 3.45Å; K85-Q87 VanDerWaalsContact O-N 3.07Å |
| 86 | P | 44 | Very low | 51.2 | Low | 114 Ų | 114 | 133.5 Ų | 133.5 | 74% | 0.74 | 71% | 0.712 | S | S | * | * | trans | -61.7 | 116.5 | 176.8 | 24.5 | -31.1 | 0 | 0 | 0 | 108.7 | R88 | P86-R88 PolarHBondContact O-N 3.42Å; P86-R88 VanDerWaalsContact O-N 3.11Å | ||
| 87 | Q | 52.7 | Low | 53.3 | Low | 180 Ų | 180 | 134.3 Ų | 134.3 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | trans | -63.7 | 114.8 | 170.5 | -80.5 | -170.7 | -37.7 | 0 | 0 | 107.5 | K85 T89 | K85-Q87 PolarHBondContact O-N 3.45Å; K85-Q87 VanDerWaalsContact O-N 3.07Å; Q87-T89 PolarHBondContact O-N 3.39Å | ||
| 88 | R | 49.8 | Very low | 55.3 | Low | 246 Ų | 246 | 135 Ų | 135 | 93% | 0.928 | 71% | 0.712 | S | S | * | * | trans | -64.5 | 107.5 | 171.6 | -75.2 | -177.8 | 168.9 | -177.5 | -3.8 | 107.7 | P86 | P86-R88 PolarHBondContact O-N 3.42Å; P86-R88 VanDerWaalsContact O-N 3.11Å | ||
| 89 | T | 55 | Low | 56.9 | Low | 60 Ų | 60 | 128 Ų | 128 | 37% | 0.368 | 70% | 0.697 | S | S | . | * | trans | -61.5 | 144.1 | 168.3 | 53 | 0 | 0 | 0 | 0 | 108.4 | Q87 S91 G92 A93 | Q87-T89 PolarHBondContact O-N 3.39Å; T89-S91 PolarHBondContact O-N 3.23Å; T89-G92 PolarHBondContact O-N 2.92Å; T89-A93 PolarHBondContact OG1-N 3.26Å; T89-A93 PolarHBondContact OG1-O 2.89Å | ||
| 90 | L | 58.6 | Low | 58.5 | Low | 195 Ų | 195 | 128.3 Ų | 128.3 | 100% | 1.021 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -15.6 | 178.8 | -79.5 | 156.8 | 0 | 0 | 0 | 113.3 | ||
| 91 | S | 67.8 | Low | 60.1 | Low | 95 Ų | 95 | 130.2 Ų | 130.2 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -4.4 | 179.2 | 55.5 | 0 | 0 | 0 | 0 | 114.6 | T89 A93 | T89-S91 PolarHBondContact O-N 3.23Å; S91-A93 PolarHBondContact O-N 3.41Å |
| 92 | G | 63.1 | Low | 61.9 | Low | 70 Ų | 70 | 131.5 Ų | 131.5 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | trans | 66.9 | -0.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T89 Q94 | T89-G92 PolarHBondContact O-N 2.92Å; G92-Q94 PolarHBondContact O-N 2.94Å | ||
| 93 | A | 68.1 | Low | 63.5 | Low | 58 Ų | 58 | 127.7 Ų | 127.7 | 48% | 0.479 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -76.5 | 120.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | T89 S91 D95 | T89-A93 PolarHBondContact OG1-N 3.26Å; T89-A93 PolarHBondContact OG1-O 2.89Å; S91-A93 PolarHBondContact O-N 3.41Å; A93-D95 PolarHBondContact O-N 2.85Å |
| 94 | Q | 67.8 | Low | 65.2 | Low | 175 Ų | 175 | 119.4 Ų | 119.4 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 130.5 | 174.8 | -154.2 | 158.9 | 19.4 | 0 | 0 | 108.4 | G92 P96 | G92-Q94 PolarHBondContact O-N 2.94Å; Q94-P96 WeakPolarHBondContact O-CD 3.35Å; Q94-P96 VanDerWaalsContact O-N 3.17Å |
| 95 | D | 74.1 | Confident | 66.7 | Low | 91 Ų | 91 | 116.2 Ų | 116.2 | 49% | 0.487 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 120.9 | 178.8 | -174.1 | -11.2 | 0 | 0 | 0 | 109 | A93 F97 P98 | A93-D95 PolarHBondContact O-N 2.85Å; D95-F97 PolarHBondContact O-N 3.24Å; D95-F97 VanDerWaalsContact O-N 3.15Å; D95-F97 PolarHBondContact OD1-N 2.9Å; D95-P98 WeakPolarHBondContact O-CD 3.13Å |
| 96 | P | 79.1 | Confident | 68.5 | Low | 104 Ų | 104 | 115.9 Ų | 115.9 | 68% | 0.675 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -62.8 | -16 | 178.5 | 23.7 | -32.3 | 0 | 0 | 0 | 112.9 | Q94 P98 | Q94-P96 WeakPolarHBondContact O-CD 3.35Å; Q94-P96 VanDerWaalsContact O-N 3.17Å; P96-P98 VanDerWaalsContact C-CD 3.49Å; P96-P98 WeakPolarHBondContact O-CD 3.4Å |
| 97 | F | 76.7 | Confident | 70.3 | Confident | 170 Ų | 170 | 114.8 Ų | 114.8 | 75% | 0.746 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -124.8 | 69.3 | 177.1 | -56.4 | -74.8 | 0 | 0 | 0 | 111.5 | D95 G99 | D95-F97 PolarHBondContact O-N 3.24Å; D95-F97 VanDerWaalsContact O-N 3.15Å; D95-F97 PolarHBondContact OD1-N 2.9Å; F97-G99 PolarHBondContact O-N 3.44Å |
| 98 | P | 74.2 | Confident | 71.9 | Confident | 111 Ų | 111 | 106.5 Ų | 106.5 | 72% | 0.721 | 61% | 0.612 | S | S | * | * | trans | -70.9 | 117.9 | -177.7 | 29.6 | -31.7 | 0 | 0 | 0 | 110.5 | D95 P96 | D95-P98 WeakPolarHBondContact O-CD 3.13Å; P96-P98 VanDerWaalsContact C-CD 3.49Å; P96-P98 WeakPolarHBondContact O-CD 3.4Å | ||
| 99 | G | 71.9 | Confident | 73.6 | Confident | 54 Ų | 54 | 104 Ų | 104 | 56% | 0.557 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 140.7 | 172.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | F97 V101 | F97-G99 PolarHBondContact O-N 3.44Å; G99-V101 PolarHBondContact O-N 3.25Å |
| 100 | P | 69.8 | Low | 75.1 | Confident | 128 Ų | 128 | 107.6 Ų | 107.6 | 83% | 0.831 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -63.6 | 129.5 | 170.4 | 27.3 | -31.8 | 0 | 0 | 0 | 109.3 | ||
| 101 | V | 72.6 | Confident | 76.5 | Confident | 106 Ų | 106 | 100.9 Ų | 100.9 | 64% | 0.642 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 126.8 | 177.9 | -178.8 | 0 | 0 | 0 | 0 | 109.7 | G99 A103 R147 | G99-V101 PolarHBondContact O-N 3.25Å; V101-A103 PolarHBondContact O-N 3.4Å; V101-R147 PolarHBondContact O-NH2 2.83Å |
| 102 | P | 77.3 | Confident | 77.4 | Confident | 115 Ų | 115 | 98.5 Ų | 98.5 | 75% | 0.747 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 134.9 | 178.6 | -28 | 34.5 | 0 | 0 | 0 | 111.6 | ||
| 103 | A | 73.5 | Confident | 78.4 | Confident | 41 Ų | 41 | 103.5 Ų | 103.5 | 34% | 0.339 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -80.9 | 129.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | V101 L105 V143 | V101-A103 PolarHBondContact O-N 3.4Å; A103-L105 VanDerWaalsContact C-N 3.29Å; A103-L105 HydrophobicContact CB-CD2 4.36Å; A103-L105 PolarHBondContact O-N 2.68Å; A103-V143 HydrophobicContact CB-CG1 3.84Å; A103-V143 HydrophobicContact CB-CG2 4.28Å |
| 104 | P | 80.7 | Confident | 79 | Confident | 35 Ų | 35 | 103.7 Ų | 103.7 | 23% | 0.227 | 55% | 0.548 | C | S | . | . | trans | -74.5 | 84.6 | 174 | 31.2 | -34.4 | 0 | 0 | 0 | 109.5 | E106 E107 A108 A146 R147 | P104-E106 VanDerWaalsContact C-N 3.32Å; P104-E106 PolarHBondContact O-N 2.85Å; P104-E107 HydrophobicContact CB-CB 4.18Å; P104-E107 HydrophobicContact CB-CG 4.39Å; P104-E107 WeakPolarHBondContact CB-OE2 3.38Å; P104-A108 VanDerWaalsContact O-CB 3.25Å; P104-A108 WeakPolarHBondContact O-CB 3.41Å; P104-A108 PolarHBondContact O-N 3.35Å; P104-A146 HydrophobicContact CG-CB 3.84Å; P104-R147 HydrophobicContact CG-CG 4.39Å | ||
| 105 | L | 79.3 | Confident | 79.5 | Confident | 125 Ų | 125 | 99.8 Ų | 99.8 | 65% | 0.654 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -32.8 | -173 | -69 | 174.7 | 0 | 0 | 0 | 113.1 | A103 R109 | A103-L105 VanDerWaalsContact C-N 3.29Å; A103-L105 HydrophobicContact CB-CD2 4.36Å; A103-L105 PolarHBondContact O-N 2.68Å; L105-R109 WeakPolarHBondContact O-CG 3.26Å; L105-R109 PolarHBondContact O-N 2.94Å |
| 106 | E | 81.9 | Confident | 79.5 | Confident | 161 Ų | 161 | 101.4 Ų | 101.4 | 75% | 0.752 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -71.7 | -46.4 | 179.6 | -63.3 | -168.9 | 162.5 | 0 | 0 | 111.5 | P104 A108 R109 | P104-E106 VanDerWaalsContact C-N 3.32Å; P104-E106 PolarHBondContact O-N 2.85Å; E106-A108 VanDerWaalsContact C-N 3.34Å; E106-A108 PolarHBondContact O-N 2.84Å; E106-R109 WeakPolarHBondContact O-CB 3.35Å; E106-R109 PolarHBondContact O-N 3.34Å |
| 107 | E | 82.3 | Confident | 79.2 | Confident | 90 Ų | 90 | 101.4 Ų | 101.4 | 42% | 0.421 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 175.5 | -62.4 | 170.9 | -178.6 | 0 | 0 | 111.4 | P104 R109 K110 A146 | P104-E107 HydrophobicContact CB-CB 4.18Å; P104-E107 HydrophobicContact CB-CG 4.39Å; P104-E107 WeakPolarHBondContact CB-OE2 3.38Å; E107-R109 PolarHBondContact O-N 3.35Å; E107-R109 VanDerWaalsContact O-N 3.15Å; E107-K110 WeakPolarHBondContact O-CB 3.46Å; E107-K110 PolarHBondContact O-N 3.48Å; E107-A146 HydrophobicContact CB-CB 4Å |
| 108 | A | 86.1 | Confident | 79 | Confident | 7 Ų | 7 | 100.1 Ų | 100.1 | 6% | 0.058 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -59.7 | -27 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P104 E106 K110 F111 C112 V143 A146 | P104-A108 VanDerWaalsContact O-CB 3.25Å; P104-A108 WeakPolarHBondContact O-CB 3.41Å; P104-A108 PolarHBondContact O-N 3.35Å; E106-A108 VanDerWaalsContact C-N 3.34Å; E106-A108 PolarHBondContact O-N 2.84Å; A108-K110 PolarHBondContact O-N 3.01Å; A108-F111 PolarHBondContact O-N 2.84Å; A108-F111 VanDerWaalsContact O-N 3.13Å; A108-C112 PolarHBondContact O-N 3.31Å; A108-V143 HydrophobicContact CB-CG2 4.17Å; A108-A146 HydrophobicContact CB-CB 4.27Å |
| 109 | R | 85.7 | Confident | 79 | Confident | 193 Ų | 193 | 100.5 Ų | 100.5 | 73% | 0.728 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62 | -31.1 | 175.2 | -68.9 | 173.1 | 179.8 | 179.8 | 1.2 | 112.5 | L105 E106 E107 F111 C112 | L105-R109 WeakPolarHBondContact O-CG 3.26Å; L105-R109 PolarHBondContact O-N 2.94Å; E106-R109 WeakPolarHBondContact O-CB 3.35Å; E106-R109 PolarHBondContact O-N 3.34Å; E107-R109 PolarHBondContact O-N 3.35Å; E107-R109 VanDerWaalsContact O-N 3.15Å; R109-F111 VanDerWaalsContact C-N 3.26Å; R109-F111 PolarHBondContact O-N 3.14Å; R109-C112 PolarHBondContact O-N 2.91Å |
| 110 | K | 85.8 | Confident | 78.9 | Confident | 136 Ų | 136 | 103.3 Ų | 103.3 | 59% | 0.591 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.1 | -36.8 | 176.2 | -175.4 | -174.9 | 174.4 | -171.8 | 0 | 111.7 | E107 A108 E149 | E107-K110 WeakPolarHBondContact O-CB 3.46Å; E107-K110 PolarHBondContact O-N 3.48Å; A108-K110 PolarHBondContact O-N 3.01Å; K110-E149 IonicContact NZ-OE1 2.68Å; K110-E149 PolarHBondContact NZ-OE1 3.25Å |
| 111 | F | 89.2 | Confident | 78.7 | Confident | 54 Ų | 54 | 102.2 Ų | 102.2 | 24% | 0.237 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -92.5 | -16.3 | -177.6 | -62 | -74.1 | 0 | 0 | 0 | 113.5 | A108 R109 R113 A145 A146 E149 | A108-F111 PolarHBondContact O-N 2.84Å; A108-F111 VanDerWaalsContact O-N 3.13Å; R109-F111 VanDerWaalsContact C-N 3.26Å; R109-F111 PolarHBondContact O-N 3.14Å; F111-R113 PolarHBondContact O-N 2.99Å; F111-A145 HydrophobicContact CB-CB 4.11Å; F111-A145 HydrophobicContact CD1-CB 3.84Å; F111-A145 HydrophobicContact CD2-CB 4.18Å; F111-A145 HydrophobicContact CE1-CB 4.27Å; F111-A145 HydrophobicContact CG-CB 3.76Å; F111-A146 HydrophobicContact CD2-CB 4Å; F111-A146 HydrophobicContact CE2-CB 4.13Å; F111-E149 VanDerWaalsContact CE2-CD 3.48Å; F111-E149 HydrophobicContact CE2-CG 3.86Å; F111-E149 VanDerWaalsContact CZ-CD 3.41Å; F111-E149 HydrophobicContact CZ-CG 3.64Å; F111-E149 WeakPolarHBondContact CZ-OE1 3.33Å |
| 112 | C | 86.6 | Confident | 78.4 | Confident | 44 Ų | 44 | 106.5 Ų | 106.5 | 30% | 0.297 | 54% | 0.54 | S | S | . | . | trans | -66.5 | 125.9 | 176.7 | -169.8 | 0 | 0 | 0 | 0 | 110.6 | A108 R109 | A108-C112 PolarHBondContact O-N 3.31Å; R109-C112 PolarHBondContact O-N 2.91Å | ||
| 113 | R | 84.1 | Confident | 78.4 | Confident | 175 Ų | 175 | 102.4 Ų | 102.4 | 66% | 0.66 | 51% | 0.514 | S | S | * | . | trans | -110.8 | -6.5 | 177.6 | -63.6 | -179.6 | 178.3 | 127.4 | -4.5 | 113.5 | F111 | F111-R113 PolarHBondContact O-N 2.99Š| ||
| 114 | I | 81.3 | Confident | 79.1 | Confident | 63 Ų | 63 | 108.2 Ų | 108.2 | 32% | 0.323 | 53% | 0.531 | S | S | . | . | trans | -92.6 | 130.5 | -178.4 | -64.7 | 176.9 | 0 | 0 | 0 | 110.7 | K116 E138 | I114-K116 PolarHBondContact O-N 3.42Å; I114-E138 HydrophobicContact CD1-CB 3.4Å; I114-E138 HydrophobicContact CD1-CG 3.47Å; I114-E138 VanDerWaalsContact CD1-CG 3.47Å; I114-E138 HydrophobicContact CG1-CB 4.33Å; I114-E138 HydrophobicContact CG1-CG 3.85Å | ||
| 115 | D | 78.1 | Confident | 79.4 | Confident | 92 Ų | 92 | 111.4 Ų | 111.4 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | trans | -84.4 | 93.8 | 170.9 | -70.5 | -22.2 | 0 | 0 | 0 | 110.4 | S117 K118 | D115-S117 PolarHBondContact O-N 2.88Å; D115-S117 VanDerWaalsContact O-N 3.09Å; D115-K118 HydrophobicContact CB-CD 4.11Å; D115-K118 HydrophobicContact CB-CG 4.38Å; D115-K118 PolarHBondContact O-N 3.22Å; D115-K118 IonicContact OD2-NZ 2.92Å; D115-K118 PolarHBondContact OD2-NZ 3.44Å | ||
| 116 | K | 73.1 | Confident | 79.9 | Confident | 125 Ų | 125 | 113.7 Ų | 113.7 | 54% | 0.543 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.3 | -13 | 177.2 | -67.1 | -176.1 | 175.3 | -175.2 | 0 | 114.7 | I114 K118 E139 | I114-K116 PolarHBondContact O-N 3.42Å; K116-K118 PolarHBondContact O-N 2.96Å; K116-E139 WeakPolarHBondContact CE-OE1 3.34Å; K116-E139 VanDerWaalsContact NZ-CD 3.34Å; K116-E139 IonicContact NZ-OE1 3.85Å; K116-E139 PolarHBondContact NZ-OE1 3.39Å |
| 117 | S | 74.2 | Confident | 80.2 | Confident | 105 Ų | 105 | 109.1 Ų | 109.1 | 73% | 0.734 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -20.3 | 177.3 | 57.9 | 0 | 0 | 0 | 0 | 113 | D115 T119 | D115-S117 PolarHBondContact O-N 2.88Å; D115-S117 VanDerWaalsContact O-N 3.09Å; S117-T119 PolarHBondContact O-N 3.49Å |
| 118 | K | 72.1 | Confident | 80.4 | Confident | 142 Ų | 142 | 108.5 Ų | 108.5 | 62% | 0.617 | 54% | 0.537 | S | S | * | . | trans | -92.4 | 89.4 | -177.3 | -65.8 | 174 | -178.7 | 154.9 | 0 | 110 | D115 K116 | D115-K118 HydrophobicContact CB-CD 4.11Å; D115-K118 HydrophobicContact CB-CG 4.38Å; D115-K118 PolarHBondContact O-N 3.22Å; D115-K118 IonicContact OD2-NZ 2.92Å; D115-K118 PolarHBondContact OD2-NZ 3.44Å; K116-K118 PolarHBondContact O-N 2.96Å | ||
| 119 | T | 72.9 | Confident | 80.6 | Confident | 120 Ų | 120 | 110.5 Ų | 110.5 | 74% | 0.736 | 55% | 0.551 | S | S | * | * | trans | -86.9 | 142.9 | 170.4 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | S117 P121 | S117-T119 PolarHBondContact O-N 3.49Å; T119-P121 WeakPolarHBondContact O-CD 3.36Å | ||
| 120 | L | 70.3 | Confident | 80.8 | Confident | 113 Ų | 113 | 108.8 Ų | 108.8 | 59% | 0.592 | 55% | 0.548 | S | S | * | . | trans | -86.1 | 110.3 | 176.5 | -72.6 | 172 | 0 | 0 | 0 | 110.2 | H122 L131 | L120-H122 PolarHBondContact O-N 2.94Å; L120-L131 HydrophobicContact CD1-CD1 3.62Å | ||
| 121 | P | 65.6 | Low | 81 | Confident | 104 Ų | 104 | 105.3 Ų | 105.3 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 129.5 | 175 | 28.4 | -33.2 | 0 | 0 | 0 | 109.8 | T119 | T119-P121 WeakPolarHBondContact O-CD 3.36Š|
| 122 | H | 65.8 | Low | 80.9 | Confident | 196 Ų | 196 | 108.4 Ų | 108.4 | 91% | 0.907 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.1 | 46.1 | 173.6 | -50.9 | 77.9 | 0 | 0 | 0 | 116.3 | L120 | L120-H122 PolarHBondContact O-N 2.94Š|
| 123 | S | 77.4 | Confident | 81.2 | Confident | 30 Ų | 30 | 112.6 Ų | 112.6 | 21% | 0.21 | 56% | 0.564 | C | S | . | * | trans | -85.1 | 147.5 | 173.1 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | Q128 | S123-Q128 PolarHBondContact O-NE2 3.37Å; S123-Q128 VanDerWaalsContact O-NE2 3.12Å; S123-Q128 WeakPolarHBondContact OG-CG 3.4Å; S123-Q128 PolarHBondContact OG-NE2 3.48Å | ||
| 124 | K | 88.4 | Confident | 81.5 | Confident | 162 Ų | 162 | 106.6 Ų | 106.6 | 70% | 0.704 | 55% | 0.552 | S | S | * | * | trans | -62.4 | 147.3 | 174.4 | -67.1 | -178.7 | -178.6 | 179.2 | 0 | 110.2 | K126 T127 Q128 | K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 3.47Å; K124-K126 VanDerWaalsContact O-N 3.17Å; K124-T127 WeakPolarHBondContact O-CA 3.38Å; K124-T127 WeakPolarHBondContact O-CB 3.41Å; K124-T127 PolarHBondContact O-N 2.84Å; K124-Q128 PolarHBondContact O-N 3.28Å | ||
| 125 | P | 86.6 | Confident | 81.9 | Confident | 102 Ų | 102 | 107.2 Ų | 107.2 | 66% | 0.662 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.6 | -35 | -176.7 | 22.6 | -34 | 0 | 0 | 0 | 113 | T127 Q128 S129 | P125-T127 VanDerWaalsContact C-N 3.31Å; P125-T127 PolarHBondContact O-N 2.95Å; P125-Q128 PolarHBondContact O-N 3.32Å; P125-S129 PolarHBondContact O-N 3.32Å |
| 126 | K | 91 | Very high | 82.4 | Confident | 174 Ų | 174 | 105.4 Ų | 105.4 | 76% | 0.757 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.9 | -34.4 | 174.2 | -68.6 | -174.2 | 179.3 | -179.8 | 0 | 113.1 | K124 K130 | K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 3.47Å; K124-K126 VanDerWaalsContact O-N 3.17Å; K126-K130 WeakPolarHBondContact O-CG 3.45Å; K126-K130 PolarHBondContact O-N 3.3Å |
| 127 | T | 88.3 | Confident | 83.3 | Confident | 64 Ų | 64 | 105.9 Ų | 105.9 | 39% | 0.393 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -75.1 | -41.7 | 178.6 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | K124 P125 K130 L131 | K124-T127 WeakPolarHBondContact O-CA 3.38Å; K124-T127 WeakPolarHBondContact O-CB 3.41Å; K124-T127 PolarHBondContact O-N 2.84Å; P125-T127 VanDerWaalsContact C-N 3.31Å; P125-T127 PolarHBondContact O-N 2.95Å; T127-K130 PolarHBondContact O-N 2.82Å; T127-L131 HydrophobicContact CG2-CD1 4.05Å; T127-L131 WeakPolarHBondContact O-CG 3.36Å; T127-L131 PolarHBondContact O-N 3.41Å |
| 128 | Q | 86.6 | Confident | 84.1 | Confident | 78 Ų | 78 | 103.6 Ų | 103.6 | 36% | 0.364 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.1 | -52.3 | 173.7 | -68.8 | 175 | -12.1 | 0 | 0 | 111.2 | S123 K124 P125 K130 L131 E132 | S123-Q128 PolarHBondContact O-NE2 3.37Å; S123-Q128 VanDerWaalsContact O-NE2 3.12Å; S123-Q128 WeakPolarHBondContact OG-CG 3.4Å; S123-Q128 PolarHBondContact OG-NE2 3.48Å; K124-Q128 PolarHBondContact O-N 3.28Å; P125-Q128 PolarHBondContact O-N 3.32Å; Q128-K130 PolarHBondContact O-N 2.91Å; Q128-L131 WeakPolarHBondContact O-CB 3.34Å; Q128-L131 PolarHBondContact O-N 2.95Å; Q128-E132 WeakPolarHBondContact O-CG 3.34Å; Q128-E132 PolarHBondContact O-N 3.05Å |
| 129 | S | 89.4 | Confident | 84.9 | Confident | 48 Ų | 48 | 100.7 Ų | 100.7 | 34% | 0.336 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -30.9 | 178.4 | -178.8 | 0 | 0 | 0 | 0 | 113.7 | P125 K133 | P125-S129 PolarHBondContact O-N 3.32Å; S129-K133 VanDerWaalsContact O-CG 3.26Å; S129-K133 WeakPolarHBondContact O-CG 3.38Å; S129-K133 PolarHBondContact O-N 2.97Å |
| 130 | K | 90.9 | Very high | 85.7 | Confident | 157 Ų | 157 | 100.1 Ų | 100.1 | 68% | 0.683 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.5 | -39.5 | 174.3 | -76.8 | -178.6 | 178.6 | -172.1 | 0 | 112.2 | K126 T127 Q128 K133 A134 | K126-K130 WeakPolarHBondContact O-CG 3.45Å; K126-K130 PolarHBondContact O-N 3.3Å; T127-K130 PolarHBondContact O-N 2.82Å; Q128-K130 PolarHBondContact O-N 2.91Å; K130-K133 PolarHBondContact O-N 2.87Å; K130-A134 PolarHBondContact O-N 2.96Å |
| 131 | L | 88.6 | Confident | 86.8 | Confident | 64 Ų | 64 | 96.8 Ų | 96.8 | 34% | 0.335 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 176.7 | -72.4 | 163.8 | 0 | 0 | 0 | 110.6 | L120 T127 Q128 K133 A134 E135 | L120-L131 HydrophobicContact CD1-CD1 3.62Å; T127-L131 HydrophobicContact CG2-CD1 4.05Å; T127-L131 WeakPolarHBondContact O-CG 3.36Å; T127-L131 PolarHBondContact O-N 3.41Å; Q128-L131 WeakPolarHBondContact O-CB 3.34Å; Q128-L131 PolarHBondContact O-N 2.95Å; L131-K133 VanDerWaalsContact C-N 3.26Å; L131-K133 PolarHBondContact O-N 3.07Å; L131-A134 CarbonylContact O-C 3.54Å; L131-A134 PolarHBondContact O-N 2.91Å; L131-E135 WeakPolarHBondContact O-CB 3.25Å; L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.26Å |
| 132 | E | 88.4 | Confident | 88 | Confident | 118 Ų | 118 | 92.3 Ų | 92.3 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -55.4 | -41.6 | 175.6 | -71.1 | 168.1 | -177.6 | 0 | 0 | 112 | Q128 A136 | Q128-E132 WeakPolarHBondContact O-CG 3.34Å; Q128-E132 PolarHBondContact O-N 3.05Å; E132-A136 VanDerWaalsContact O-CB 3.31Å; E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 3.26Å |
| 133 | K | 91.6 | Very high | 89.2 | Confident | 132 Ų | 132 | 84.1 Ų | 84.1 | 57% | 0.574 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -65.9 | -41 | 175.3 | -75.8 | 173.7 | -176.8 | 179.1 | 0 | 112.7 | S129 K130 L131 Q137 | S129-K133 VanDerWaalsContact O-CG 3.26Å; S129-K133 WeakPolarHBondContact O-CG 3.38Å; S129-K133 PolarHBondContact O-N 2.97Å; K130-K133 PolarHBondContact O-N 2.87Å; L131-K133 VanDerWaalsContact C-N 3.26Å; L131-K133 PolarHBondContact O-N 3.07Å; K133-Q137 WeakPolarHBondContact O-CB 3.49Å; K133-Q137 VanDerWaalsContact O-CG 3.25Å; K133-Q137 WeakPolarHBondContact O-CG 3.44Å; K133-Q137 PolarHBondContact O-N 3.29Å |
| 134 | A | 90.1 | Very high | 89.9 | Confident | 49 Ų | 49 | 90 Ų | 90 | 41% | 0.405 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.8 | -41.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K130 L131 Q137 E138 | K130-A134 PolarHBondContact O-N 2.96Å; L131-A134 CarbonylContact O-C 3.54Å; L131-A134 PolarHBondContact O-N 2.91Å; A134-Q137 PolarHBondContact O-N 3.08Å; A134-E138 PolarHBondContact O-N 3.5Å |
| 135 | E | 90.3 | Very high | 90 | Very high | 76 Ų | 76 | 84 Ų | 84 | 36% | 0.355 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 174.5 | -72.7 | 172.4 | -172.5 | 0 | 0 | 111 | L131 Q137 E138 E139 | L131-E135 WeakPolarHBondContact O-CB 3.25Å; L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.26Å; E135-Q137 VanDerWaalsContact C-N 3.32Å; E135-Q137 PolarHBondContact O-N 3.46Å; E135-E138 PolarHBondContact O-N 2.96Å; E135-E139 WeakPolarHBondContact O-CG 3.49Å; E135-E139 PolarHBondContact O-N 3.49Å |
| 136 | A | 89.7 | Confident | 90.3 | Very high | 55 Ų | 55 | 79.1 Ų | 79.1 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.7 | -37.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E132 E139 E140 | E132-A136 VanDerWaalsContact O-CB 3.31Å; E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 3.26Å; A136-E139 PolarHBondContact O-N 2.89Å; A136-E140 PolarHBondContact O-N 3.44Å |
| 137 | Q | 92 | Very high | 90.2 | Very high | 135 Ų | 135 | 75.8 Ų | 75.8 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.9 | -41.8 | 175.8 | -77.8 | 175 | -0.8 | 0 | 0 | 112.3 | K133 A134 E135 E140 A141 | K133-Q137 WeakPolarHBondContact O-CB 3.49Å; K133-Q137 VanDerWaalsContact O-CG 3.25Å; K133-Q137 WeakPolarHBondContact O-CG 3.44Å; K133-Q137 PolarHBondContact O-N 3.29Å; A134-Q137 PolarHBondContact O-N 3.08Å; E135-Q137 VanDerWaalsContact C-N 3.32Å; E135-Q137 PolarHBondContact O-N 3.46Å; Q137-E140 PolarHBondContact O-N 3.01Å; Q137-A141 WeakPolarHBondContact O-CB 3.28Å; Q137-A141 PolarHBondContact O-N 3.27Å |
| 138 | E | 90.1 | Very high | 90.3 | Very high | 57 Ų | 57 | 75 Ų | 75 | 27% | 0.266 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 176.4 | -173.3 | 76.1 | 172 | 0 | 0 | 111.3 | I114 A134 E135 A141 S142 | I114-E138 HydrophobicContact CD1-CB 3.4Å; I114-E138 HydrophobicContact CD1-CG 3.47Å; I114-E138 VanDerWaalsContact CD1-CG 3.47Å; I114-E138 HydrophobicContact CG1-CB 4.33Å; I114-E138 HydrophobicContact CG1-CG 3.85Å; A134-E138 PolarHBondContact O-N 3.5Å; E135-E138 PolarHBondContact O-N 2.96Å; E138-A141 PolarHBondContact O-N 2.85Å; E138-S142 WeakPolarHBondContact O-CB 3.28Å; E138-S142 PolarHBondContact O-N 3.17Å; E138-S142 PolarHBondContact O-OG 2.84Å |
| 139 | E | 88.2 | Confident | 90.4 | Very high | 80 Ų | 80 | 73.5 Ų | 73.5 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59 | -49 | 174 | -75.1 | 177.6 | -164.2 | 0 | 0 | 111 | K116 E135 A136 A141 S142 V143 | K116-E139 WeakPolarHBondContact CE-OE1 3.34Å; K116-E139 VanDerWaalsContact NZ-CD 3.34Å; K116-E139 IonicContact NZ-OE1 3.85Å; K116-E139 PolarHBondContact NZ-OE1 3.39Å; E135-E139 WeakPolarHBondContact O-CG 3.49Å; E135-E139 PolarHBondContact O-N 3.49Å; A136-E139 PolarHBondContact O-N 2.89Å; E139-A141 VanDerWaalsContact C-N 3.28Å; E139-A141 PolarHBondContact O-N 2.76Å; E139-S142 PolarHBondContact O-N 3.34Å; E139-S142 PolarHBondContact O-OG 2.92Å; E139-V143 WeakPolarHBondContact O-CG2 3.42Å; E139-V143 PolarHBondContact O-N 3Å |
| 140 | E | 90.4 | Very high | 90.3 | Very high | 108 Ų | 108 | 77.9 Ų | 77.9 | 51% | 0.505 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 176 | -167.2 | -168 | 153 | 0 | 0 | 111.3 | A136 Q137 V143 R144 | A136-E140 PolarHBondContact O-N 3.44Å; Q137-E140 PolarHBondContact O-N 3.01Å; E140-V143 PolarHBondContact O-N 2.88Å; E140-R144 VanDerWaalsContact O-CB 3.28Å; E140-R144 WeakPolarHBondContact O-CB 3.3Å; E140-R144 PolarHBondContact O-N 2.77Å; E140-R144 IonicContact OE1-CZ 3.74Å; E140-R144 IonicContact OE1-NH1 2.8Å; E140-R144 IonicContact OE1-NH2 2.74Å; E140-R144 PolarHBondContact OE1-NH2 2.97Å |
| 141 | A | 92.5 | Very high | 90.3 | Very high | 44 Ų | 44 | 77.5 Ų | 77.5 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q137 E138 E139 R144 A145 | Q137-A141 WeakPolarHBondContact O-CB 3.28Å; Q137-A141 PolarHBondContact O-N 3.27Å; E138-A141 PolarHBondContact O-N 2.85Å; E139-A141 VanDerWaalsContact C-N 3.28Å; E139-A141 PolarHBondContact O-N 2.76Å; A141-R144 PolarHBondContact O-N 2.63Å; A141-A145 WeakPolarHBondContact O-CB 3.48Å; A141-A145 PolarHBondContact O-N 2.83Å |
| 142 | S | 91.9 | Very high | 90.4 | Very high | 10 Ų | 10 | 78.9 Ų | 78.9 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 177.9 | 72 | 0 | 0 | 0 | 0 | 112 | E138 E139 A145 A146 | E138-S142 WeakPolarHBondContact O-CB 3.28Å; E138-S142 PolarHBondContact O-N 3.17Å; E138-S142 PolarHBondContact O-OG 2.84Å; E139-S142 PolarHBondContact O-N 3.34Å; E139-S142 PolarHBondContact O-OG 2.92Å; S142-A145 PolarHBondContact O-N 3.32Å; S142-A146 WeakPolarHBondContact O-CB 3.48Å; S142-A146 PolarHBondContact O-N 3.19Å |
| 143 | V | 90.9 | Very high | 90.5 | Very high | 24 Ų | 24 | 77.8 Ų | 77.8 | 15% | 0.145 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.7 | -40.1 | 175.8 | 172.6 | 0 | 0 | 0 | 0 | 110.8 | A103 A108 E139 E140 A145 A146 R147 | A103-V143 HydrophobicContact CB-CG1 3.84Å; A103-V143 HydrophobicContact CB-CG2 4.28Å; A108-V143 HydrophobicContact CB-CG2 4.17Å; E139-V143 WeakPolarHBondContact O-CG2 3.42Å; E139-V143 PolarHBondContact O-N 3Å; E140-V143 PolarHBondContact O-N 2.88Å; V143-A145 VanDerWaalsContact C-N 3.34Å; V143-A146 PolarHBondContact O-N 2.9Å; V143-R147 WeakPolarHBondContact O-CB 3.36Å; V143-R147 VanDerWaalsContact O-CG 3.27Å; V143-R147 WeakPolarHBondContact O-CG 3.47Å; V143-R147 PolarHBondContact O-N 2.92Å |
| 144 | R | 91.4 | Very high | 90.5 | Very high | 154 Ų | 154 | 76.9 Ų | 76.9 | 58% | 0.581 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64.1 | -39.2 | 174.9 | -177.1 | 178.4 | -73.6 | 129.1 | 4.5 | 111.6 | E140 A141 A148 | E140-R144 VanDerWaalsContact O-CB 3.28Å; E140-R144 WeakPolarHBondContact O-CB 3.3Å; E140-R144 PolarHBondContact O-N 2.77Å; E140-R144 IonicContact OE1-CZ 3.74Å; E140-R144 IonicContact OE1-NH1 2.8Å; E140-R144 IonicContact OE1-NH2 2.74Å; E140-R144 PolarHBondContact OE1-NH2 2.97Å; A141-R144 PolarHBondContact O-N 2.63Å; R144-A148 PolarHBondContact O-N 2.68Å; R144-A148 VanDerWaalsContact O-N 3.15Å |
| 145 | A | 91.8 | Very high | 90.5 | Very high | 35 Ų | 35 | 82.8 Ų | 82.8 | 29% | 0.289 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F111 A141 S142 V143 R147 A148 E149 | F111-A145 HydrophobicContact CB-CB 4.11Å; F111-A145 HydrophobicContact CD1-CB 3.84Å; F111-A145 HydrophobicContact CD2-CB 4.18Å; F111-A145 HydrophobicContact CE1-CB 4.27Å; F111-A145 HydrophobicContact CG-CB 3.76Å; A141-A145 WeakPolarHBondContact O-CB 3.48Å; A141-A145 PolarHBondContact O-N 2.83Å; S142-A145 PolarHBondContact O-N 3.32Å; V143-A145 VanDerWaalsContact C-N 3.34Å; A145-R147 VanDerWaalsContact C-N 3.33Å; A145-R147 PolarHBondContact O-N 3.31Å; A145-A148 WeakPolarHBondContact O-CB 3.19Å; A145-A148 PolarHBondContact O-N 2.73Å; A145-E149 PolarHBondContact O-N 3.27Å |
| 146 | A | 91.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | P104 E107 A108 F111 S142 V143 A148 E149 | P104-A146 HydrophobicContact CG-CB 3.84Å; E107-A146 HydrophobicContact CB-CB 4Å; A108-A146 HydrophobicContact CB-CB 4.27Å; F111-A146 HydrophobicContact CD2-CB 4Å; F111-A146 HydrophobicContact CE2-CB 4.13Å; S142-A146 WeakPolarHBondContact O-CB 3.48Å; S142-A146 PolarHBondContact O-N 3.19Å; V143-A146 PolarHBondContact O-N 2.9Å; A146-A148 PolarHBondContact O-N 2.79Å; A146-E149 WeakPolarHBondContact O-CB 3.24Å; A146-E149 PolarHBondContact O-N 3.12Å |
| 147 | R | 89.8 | Confident | 90.5 | Very high | 103 Ų | 103 | 80.2 Ų | 80.2 | 39% | 0.389 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.8 | -28.6 | 174.4 | -74.5 | 173.2 | 176.1 | 164.5 | -0.7 | 113.5 | V101 P104 V143 A145 E149 L150 | V101-R147 PolarHBondContact O-NH2 2.83Å; P104-R147 HydrophobicContact CG-CG 4.39Å; V143-R147 WeakPolarHBondContact O-CB 3.36Å; V143-R147 VanDerWaalsContact O-CG 3.27Å; V143-R147 WeakPolarHBondContact O-CG 3.47Å; V143-R147 PolarHBondContact O-N 2.92Å; A145-R147 VanDerWaalsContact C-N 3.33Å; A145-R147 PolarHBondContact O-N 3.31Å; R147-E149 VanDerWaalsContact C-N 3.27Å; R147-L150 WeakPolarHBondContact O-CB 3.38Å; R147-L150 PolarHBondContact O-N 3.18Å |
| 148 | A | 90.2 | Very high | 90.5 | Very high | 49 Ų | 49 | 80.5 Ų | 80.5 | 41% | 0.405 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -73.9 | -18.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R144 A145 A146 L150 L151 | R144-A148 PolarHBondContact O-N 2.68Å; R144-A148 VanDerWaalsContact O-N 3.15Å; A145-A148 WeakPolarHBondContact O-CB 3.19Å; A145-A148 PolarHBondContact O-N 2.73Å; A146-A148 PolarHBondContact O-N 2.79Å; A148-L150 PolarHBondContact O-N 2.75Å; A148-L151 WeakPolarHBondContact O-CB 3.41Å; A148-L151 PolarHBondContact O-N 3.28Å |
| 149 | E | 88.3 | Confident | 90.5 | Very high | 45 Ų | 45 | 79.1 Ų | 79.1 | 21% | 0.21 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -63.8 | -23.6 | 172.9 | -66 | -164 | 136.8 | 0 | 0 | 112.2 | K110 F111 A145 A146 R147 L151 L152 | K110-E149 IonicContact NZ-OE1 2.68Å; K110-E149 PolarHBondContact NZ-OE1 3.25Å; F111-E149 VanDerWaalsContact CE2-CD 3.48Å; F111-E149 HydrophobicContact CE2-CG 3.86Å; F111-E149 VanDerWaalsContact CZ-CD 3.41Å; F111-E149 HydrophobicContact CZ-CG 3.64Å; F111-E149 WeakPolarHBondContact CZ-OE1 3.33Å; A145-E149 PolarHBondContact O-N 3.27Å; A146-E149 WeakPolarHBondContact O-CB 3.24Å; A146-E149 PolarHBondContact O-N 3.12Å; R147-E149 VanDerWaalsContact C-N 3.27Å; E149-L151 PolarHBondContact O-N 3.13Å; E149-L151 VanDerWaalsContact O-N 3.15Å; E149-L152 HydrophobicContact CB-CD1 4.01Å; E149-L152 HydrophobicContact CG-CD1 4.35Å; E149-L152 VanDerWaalsContact O-CB 3.27Å; E149-L152 WeakPolarHBondContact O-CB 3.3Å; E149-L152 WeakPolarHBondContact O-CD1 3.37Å; E149-L152 WeakPolarHBondContact O-CG 3.45Å; E149-L152 PolarHBondContact O-N 2.86Å; E149-L152 VanDerWaalsContact O-N 3.09Å |
| 150 | L | 87.2 | Confident | 90.6 | Very high | 141 Ų | 141 | 80.5 Ų | 80.5 | 74% | 0.738 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.8 | 171.9 | -62.5 | 173.3 | 0 | 0 | 0 | 113.3 | R147 A148 L152 | R147-L150 WeakPolarHBondContact O-CB 3.38Å; R147-L150 PolarHBondContact O-N 3.18Å; A148-L150 PolarHBondContact O-N 2.75Å; L150-L152 VanDerWaalsContact C-N 3.34Å |
| 151 | L | 90.8 | Very high | 90.3 | Very high | 148 Ų | 148 | 76.5 Ų | 76.5 | 78% | 0.775 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 0.7 | 178.3 | -57.6 | 174.8 | 0 | 0 | 0 | 112.8 | A148 E149 A153 | A148-L151 WeakPolarHBondContact O-CB 3.41Å; A148-L151 PolarHBondContact O-N 3.28Å; E149-L151 PolarHBondContact O-N 3.13Å; E149-L151 VanDerWaalsContact O-N 3.15Å; L151-A153 PolarHBondContact O-N 2.97Å |
| 152 | L | 91.3 | Very high | 90 | Very high | 94 Ų | 94 | 78.2 Ų | 78.2 | 49% | 0.492 | 42% | 0.422 | S | S | . | . | trans | -63.4 | 129.3 | 174.2 | -65.9 | 173.3 | 0 | 0 | 0 | 109.3 | E149 L150 N437 | E149-L152 HydrophobicContact CB-CD1 4.01Å; E149-L152 HydrophobicContact CG-CD1 4.35Å; E149-L152 VanDerWaalsContact O-CB 3.27Å; E149-L152 WeakPolarHBondContact O-CB 3.3Å; E149-L152 WeakPolarHBondContact O-CD1 3.37Å; E149-L152 WeakPolarHBondContact O-CG 3.45Å; E149-L152 PolarHBondContact O-N 2.86Å; E149-L152 VanDerWaalsContact O-N 3.09Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L152-N437 HydrophobicContact CD2-CB 3.66Å | ||
| 153 | A | 90.5 | Very high | 89.5 | Confident | 95 Ų | 95 | 86 Ų | 86 | 79% | 0.785 | 46% | 0.463 | S | S | * | . | trans | -85.5 | -30.3 | -169 | 0 | 0 | 0 | 0 | 0 | 112.8 | L151 N437 | L151-A153 PolarHBondContact O-N 2.97Å; A153-N437 PolarHBondContact N-OD1 3.31Å | ||
| 154 | E | 90.9 | Very high | 88.9 | Confident | 112 Ų | 112 | 88.9 Ų | 88.9 | 52% | 0.523 | 50% | 0.497 | S | S | . | . | trans | -116.6 | 139.5 | -171.8 | -64.4 | -176.5 | -176.5 | 0 | 0 | 111.5 | P436 N437 | E154-P436 HydrophobicContact CB-CB 3.77Å; E154-P436 HydrophobicContact CB-CG 4.32Å; E154-N437 PolarHBondContact N-OD1 3.32Å; E154-N437 PolarHBondContact O-ND2 2.96Å | ||
| 155 | E | 90.7 | Very high | 88.7 | Confident | 174 Ų | 174 | 85.4 Ų | 85.4 | 81% | 0.813 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -89.7 | 146.4 | 172.3 | -68.6 | -175.5 | 176.2 | 0 | 0 | 110.4 | ||
| 156 | P | 90.7 | Very high | 88.5 | Confident | 52 Ų | 52 | 87.2 Ų | 87.2 | 34% | 0.338 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 141.3 | 179.8 | 32.7 | -35.6 | 0 | 0 | 0 | 111.6 | P436 | P156-P436 HydrophobicContact CB-CG 4.12Š|
| 157 | G | 89.9 | Confident | 88.5 | Confident | 25 Ų | 25 | 88.6 Ų | 88.6 | 26% | 0.258 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 158.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R367 G432 | G157-R367 PolarHBondContact O-NH1 3.2Å; G157-G432 WeakPolarHBondContact O-CA 3.31Å; G157-G432 PolarHBondContact O-N 3.33Å |
| 158 | F | 91.4 | Very high | 88.5 | Confident | 140 Ų | 140 | 84.7 Ų | 84.7 | 61% | 0.614 | 49% | 0.49 | S | S | * | . | trans | -154.9 | 165.6 | 172.3 | 60.7 | -91 | 0 | 0 | 0 | 110.9 | V160 | F158-V160 HydrophobicContact CD2-CB 4.48Å; F158-V160 HydrophobicContact CD2-CG2 3.79Å; F158-V160 HydrophobicContact CE2-CG2 4.37Å | ||
| 159 | L | 90.9 | Very high | 88.6 | Confident | 28 Ų | 28 | 88.9 Ų | 88.9 | 15% | 0.147 | 50% | 0.5 | C | S | . | . | trans | -136.9 | 121.2 | 170.9 | -173.8 | 66.7 | 0 | 0 | 0 | 105.5 | I170 I175 Y396 L397 P431 | L159-I170 HydrophobicContact CD1-CD1 4Å; L159-I170 HydrophobicContact CD2-CD1 3.79Å; L159-I170 HydrophobicContact CG-CD1 3.97Å; L159-I175 HydrophobicContact CD2-CD1 4.47Å; L159-Y396 HydrophobicContact CB-CE2 3.97Å; L159-Y396 WeakPolarHBondContact CB-OH 3.49Å; L159-Y396 PolarHBondContact N-OH 2.87Å; L159-Y396 WeakPolarHBondContact O-CE2 3.34Å; L159-L397 HydrophobicContact CD2-CD1 4.5Å; L159-P431 HydrophobicContact CB-CB 4.26Å; L159-P431 HydrophobicContact CB-CG 4.41Å | ||
| 160 | V | 89.2 | Confident | 88.8 | Confident | 110 Ų | 110 | 88.1 Ų | 88.1 | 67% | 0.667 | 50% | 0.496 | S | S | * | . | trans | -126.2 | 132 | 179.6 | 173.5 | 0 | 0 | 0 | 0 | 106.6 | F158 | F158-V160 HydrophobicContact CD2-CB 4.48Å; F158-V160 HydrophobicContact CD2-CG2 3.79Å; F158-V160 HydrophobicContact CE2-CG2 4.37Å | ||
| 161 | G | 85 | Confident | 89.1 | Confident | 24 Ų | 24 | 84.8 Ų | 84.8 | 25% | 0.247 | 48% | 0.479 | C | S | . | . | trans | -78.3 | 144.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | T167 | G161-T167 VanDerWaalsContact N-CG2 3.29Š| ||
| 162 | E | 85.4 | Confident | 89.3 | Confident | 80 Ų | 80 | 77.9 Ų | 77.9 | 37% | 0.374 | 44% | 0.443 | S | S | . | . | trans | -63.1 | 166.1 | 165.4 | -68 | -174.6 | 169.9 | 0 | 0 | 110.1 | K23 R26 G164 E165 | K23-E162 IonicContact NZ-OE2 2.89Å; K23-E162 PolarHBondContact NZ-OE2 3.13Å; R26-E162 IonicContact NH1-OE1 3.07Å; E162-G164 PolarHBondContact O-N 3.48Å; E162-E165 HydrophobicContact CB-CG 4.37Å; E162-E165 PolarHBondContact O-N 2.87Å | ||
| 163 | D | 81.8 | Confident | 89.4 | Confident | 174 Ų | 174 | 77.2 Ų | 77.2 | 93% | 0.93 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 115.5 | 179.7 | -68.7 | -35.8 | 0 | 0 | 0 | 111.7 | ||
| 164 | G | 79.3 | Confident | 89.6 | Confident | 84 Ų | 84 | 74.2 Ų | 74.2 | 87% | 0.866 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 2.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | E162 | E162-G164 PolarHBondContact O-N 3.48Š|
| 165 | E | 86.3 | Confident | 89.8 | Confident | 80 Ų | 80 | 69.1 Ų | 69.1 | 37% | 0.374 | 39% | 0.39 | S | S | . | . | trans | -99.7 | 117.8 | 174.9 | -63 | -168.9 | 168.7 | 0 | 0 | 112 | K23 E162 T167 | K23-E165 WeakPolarHBondContact CD-OE1 3.39Å; K23-E165 IonicContact NZ-OE1 3.37Å; E162-E165 HydrophobicContact CB-CG 4.37Å; E162-E165 PolarHBondContact O-N 2.87Å; E165-T167 PolarHBondContact O-N 3.42Å | ||
| 166 | D | 87.8 | Confident | 90 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | trans | -76.1 | 118.3 | 175 | -57.6 | -39.8 | 0 | 0 | 0 | 110.6 | A168 K169 | D166-A168 PolarHBondContact O-N 3.43Å; D166-A168 VanDerWaalsContact O-N 3.13Å; D166-K169 HydrophobicContact CB-CD 4.1Å; D166-K169 HydrophobicContact CB-CG 4.25Å; D166-K169 PolarHBondContact O-N 3.05Å; D166-K169 VanDerWaalsContact OD2-CE 3.29Å; D166-K169 WeakPolarHBondContact OD2-CE 3.35Å; D166-K169 IonicContact OD2-NZ 2.76Å; D166-K169 PolarHBondContact OD2-NZ 3.17Å | ||
| 167 | T | 90.6 | Very high | 90.2 | Very high | 28 Ų | 28 | 65 Ų | 65 | 17% | 0.172 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -56.7 | -29.5 | 175.6 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | G161 E165 K169 I170 Y396 | G161-T167 VanDerWaalsContact N-CG2 3.29Å; E165-T167 PolarHBondContact O-N 3.42Å; T167-K169 PolarHBondContact O-N 3.48Å; T167-K169 VanDerWaalsContact O-N 3.11Å; T167-I170 WeakPolarHBondContact O-CB 3.39Å; T167-I170 WeakPolarHBondContact O-CG1 3.47Å; T167-I170 PolarHBondContact O-N 3.48Å; T167-Y396 CarbonylContact C-O 3.35Å; T167-Y396 VanDerWaalsContact CB-O 3.3Å; T167-Y396 WeakPolarHBondContact CB-O 3.45Å; T167-Y396 PolarHBondContact OG1-O 3.26Å |
| 168 | A | 91.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 64.9 Ų | 64.9 | 17% | 0.174 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -58.3 | -23.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D166 P395 Y396 T398 | D166-A168 PolarHBondContact O-N 3.43Å; D166-A168 VanDerWaalsContact O-N 3.13Å; A168-P395 HydrophobicContact CB-CG 3.92Å; A168-Y396 PolarHBondContact N-O 3.47Å; A168-T398 PolarHBondContact O-N 3.4Å |
| 169 | K | 91.6 | Very high | 90.5 | Very high | 138 Ų | 138 | 60.3 Ų | 60.3 | 60% | 0.6 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -89.8 | -7.1 | -176.2 | -67.6 | 172.7 | 179.2 | 153.1 | 0 | 113.4 | R22 D166 T167 | R22-K169 PolarHBondContact NH2-O 3.38Å; D166-K169 HydrophobicContact CB-CD 4.1Å; D166-K169 HydrophobicContact CB-CG 4.25Å; D166-K169 PolarHBondContact O-N 3.05Å; D166-K169 VanDerWaalsContact OD2-CE 3.29Å; D166-K169 WeakPolarHBondContact OD2-CE 3.35Å; D166-K169 IonicContact OD2-NZ 2.76Å; D166-K169 PolarHBondContact OD2-NZ 3.17Å; T167-K169 PolarHBondContact O-N 3.48Å; T167-K169 VanDerWaalsContact O-N 3.11Å |
| 170 | I | 92.8 | Very high | 90.6 | Very high | 28 Ų | 28 | 62.3 Ų | 62.3 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | trans | -71.2 | 128 | -178.2 | -61.8 | 174.1 | 0 | 0 | 0 | 109.1 | L159 T167 D174 I175 | L159-I170 HydrophobicContact CD1-CD1 4Å; L159-I170 HydrophobicContact CD2-CD1 3.79Å; L159-I170 HydrophobicContact CG-CD1 3.97Å; T167-I170 WeakPolarHBondContact O-CB 3.39Å; T167-I170 WeakPolarHBondContact O-CG1 3.47Å; T167-I170 PolarHBondContact O-N 3.48Å; I170-D174 HydrophobicContact CG2-CB 4.21Å; I170-I175 HydrophobicContact CG2-CD1 4.08Å; I170-I175 HydrophobicContact CG2-CG1 3.7Å | ||
| 171 | L | 93.7 | Very high | 90.9 | Very high | 71 Ų | 71 | 64.4 Ų | 64.4 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | trans | -84.5 | 157.9 | 179 | -62.2 | -176.8 | 0 | 0 | 0 | 111.6 | T173 D174 I175 | L171-T173 WeakPolarHBondContact CB-OG1 3.47Å; L171-T173 PolarHBondContact O-N 2.85Å; L171-D174 WeakPolarHBondContact CB-OD2 3.32Å; L171-D174 PolarHBondContact N-OD2 2.95Å; L171-D174 VanDerWaalsContact N-OD2 3.16Å; L171-D174 WeakPolarHBondContact O-CB 3.47Å; L171-D174 PolarHBondContact O-N 3.31Å; L171-D174 VanDerWaalsContact O-N 3.11Å; L171-I175 PolarHBondContact O-N 3.29Å | ||
| 172 | Q | 94.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.019 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.8 | -35.3 | 173 | -75.4 | -68.3 | -53.9 | 0 | 0 | 112.3 | D174 I175 V176 H399 M428 L429 | Q172-D174 VanDerWaalsContact C-N 3.25Å; Q172-D174 PolarHBondContact O-N 2.85Å; Q172-I175 PolarHBondContact O-N 3.07Å; Q172-V176 WeakPolarHBondContact O-CB 3.36Å; Q172-V176 WeakPolarHBondContact O-CG2 3.47Å; Q172-V176 PolarHBondContact O-N 2.87Å; Q172-H399 WeakPolarHBondContact CG-CD2 3.24Å; Q172-H399 WeakPolarHBondContact CG-NE2 3.46Å; Q172-M428 HydrophobicContact CG-CE 3.88Å; Q172-M428 HydrophobicContact CG-CG 4.48Å; Q172-L429 PolarHBondContact NE2-O 2.87Å; Q172-L429 PolarHBondContact OE1-O 3.3Å |
| 173 | T | 94.4 | Very high | 91.7 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 49% | 0.491 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 174.2 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | L171 V176 E177 | L171-T173 WeakPolarHBondContact CB-OG1 3.47Å; L171-T173 PolarHBondContact O-N 2.85Å; T173-V176 PolarHBondContact O-N 3.04Å; T173-E177 WeakPolarHBondContact O-CG 3.31Å; T173-E177 PolarHBondContact O-N 3.25Å; T173-E177 VanDerWaalsContact O-N 3.08Å |
| 174 | D | 94 | Very high | 92.3 | Very high | 31 Ų | 31 | 56.7 Ų | 56.7 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -69.4 | -39.5 | -177.6 | -52.5 | -24.5 | 0 | 0 | 0 | 110.4 | P25 I170 L171 Q172 A178 | P25-D174 HydrophobicContact CG-CB 3.82Å; P25-D174 WeakPolarHBondContact CG-O 3.26Å; I170-D174 HydrophobicContact CG2-CB 4.21Å; L171-D174 WeakPolarHBondContact CB-OD2 3.32Å; L171-D174 PolarHBondContact N-OD2 2.95Å; L171-D174 VanDerWaalsContact N-OD2 3.16Å; L171-D174 WeakPolarHBondContact O-CB 3.47Å; L171-D174 PolarHBondContact O-N 3.31Å; L171-D174 VanDerWaalsContact O-N 3.11Å; Q172-D174 VanDerWaalsContact C-N 3.25Å; Q172-D174 PolarHBondContact O-N 2.85Å; D174-A178 WeakPolarHBondContact O-CB 3.47Å; D174-A178 PolarHBondContact O-N 3.33Å; D174-A178 VanDerWaalsContact O-N 3.16Å |
| 175 | I | 94.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 175.9 | -62.1 | 170.2 | 0 | 0 | 0 | 110.7 | L159 I170 L171 Q172 E177 A178 V179 L397 L429 P431 | L159-I175 HydrophobicContact CD2-CD1 4.47Å; I170-I175 HydrophobicContact CG2-CD1 4.08Å; I170-I175 HydrophobicContact CG2-CG1 3.7Å; L171-I175 PolarHBondContact O-N 3.29Å; Q172-I175 PolarHBondContact O-N 3.07Å; I175-E177 VanDerWaalsContact C-N 3.3Å; I175-E177 PolarHBondContact O-N 3.21Å; I175-A178 PolarHBondContact O-N 3.21Å; I175-A178 VanDerWaalsContact O-N 3.15Å; I175-V179 HydrophobicContact CG2-CG2 3.94Å; I175-V179 WeakPolarHBondContact O-CB 3.48Å; I175-V179 WeakPolarHBondContact O-CG2 3.44Å; I175-V179 PolarHBondContact O-N 3.02Å; I175-L397 HydrophobicContact CD1-CD1 3.57Å; I175-L429 HydrophobicContact CG2-CB 3.95Å; I175-L429 HydrophobicContact CG2-CD1 4.15Å; I175-P431 HydrophobicContact CG2-CG 4.32Å |
| 176 | V | 95.7 | Very high | 93.5 | Very high | 37 Ų | 37 | 53 Ų | 53 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.1 | -36.6 | -178.9 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | Q172 T173 A184 H187 L429 | Q172-V176 WeakPolarHBondContact O-CB 3.36Å; Q172-V176 WeakPolarHBondContact O-CG2 3.47Å; Q172-V176 PolarHBondContact O-N 2.87Å; T173-V176 PolarHBondContact O-N 3.04Å; V176-A184 HydrophobicContact CG1-CB 3.97Å; V176-H187 HydrophobicContact CG2-CB 3.77Å; V176-H187 VanDerWaalsContact CG2-CD2 3.41Å; V176-H187 WeakPolarHBondContact CG2-CD2 3.3Å; V176-L429 HydrophobicContact CG2-CD1 3.96Å |
| 177 | E | 94.2 | Very high | 93.9 | Very high | 104 Ų | 104 | 52 Ų | 52 | 49% | 0.486 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70.2 | -35.9 | 174.2 | -73.2 | -176.2 | -171.2 | 0 | 0 | 112.7 | K24 R27 T173 I175 | K24-E177 IonicContact NZ-OE2 3.92Å; K24-E177 PolarHBondContact NZ-OE2 3Å; R27-E177 PolarHBondContact NH2-O 2.8Å; T173-E177 WeakPolarHBondContact O-CG 3.31Å; T173-E177 PolarHBondContact O-N 3.25Å; T173-E177 VanDerWaalsContact O-N 3.08Å; I175-E177 VanDerWaalsContact C-N 3.3Å; I175-E177 PolarHBondContact O-N 3.21Å |
| 178 | A | 93.1 | Very high | 94.1 | Very high | 21 Ų | 21 | 52.1 Ų | 52.1 | 17% | 0.174 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -76.7 | -32.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P25 R27 D174 I175 | P25-A178 HydrophobicContact CB-CB 4.41Å; P25-A178 HydrophobicContact CG-CB 3.99Å; R27-A178 WeakPolarHBondContact CG-O 3.49Å; R27-A178 PolarHBondContact NE-O 3.5Å; D174-A178 WeakPolarHBondContact O-CB 3.47Å; D174-A178 PolarHBondContact O-N 3.33Å; D174-A178 VanDerWaalsContact O-N 3.16Å; I175-A178 PolarHBondContact O-N 3.21Å; I175-A178 VanDerWaalsContact O-N 3.15Å |
| 179 | V | 94.1 | Very high | 94.3 | Very high | 44 Ų | 44 | 55.3 Ų | 55.3 | 27% | 0.267 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -82 | 162.6 | -175.8 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | I175 | I175-V179 HydrophobicContact CG2-CG2 3.94Å; I175-V179 WeakPolarHBondContact O-CB 3.48Å; I175-V179 WeakPolarHBondContact O-CG2 3.44Å; I175-V179 PolarHBondContact O-N 3.02Å |
| 180 | D | 94.3 | Very high | 94.4 | Very high | 71 Ų | 71 | 51.1 Ų | 51.1 | 38% | 0.38 | 29% | 0.291 | S | S | . | . | trans | -62 | 159 | 174.8 | 75.6 | -72.8 | 0 | 0 | 0 | 113.1 | A182 S183 A184 | D180-A182 VanDerWaalsContact C-N 3.28Å; D180-A182 PolarHBondContact O-N 3.37Å; D180-A182 WeakPolarHBondContact OD2-CA 3.21Å; D180-A182 VanDerWaalsContact OD2-CB 3.29Å; D180-A182 WeakPolarHBondContact OD2-CB 3.42Å; D180-A182 PolarHBondContact OD2-N 3.38Å; D180-S183 PolarHBondContact O-N 3.16Å; D180-S183 WeakPolarHBondContact OD1-CB 3.38Å; D180-S183 PolarHBondContact OD1-OG 3.47Å; D180-S183 PolarHBondContact OD2-N 3.01Å; D180-S183 VanDerWaalsContact OD2-N 3.13Å; D180-A184 VanDerWaalsContact O-CB 3.23Å; D180-A184 WeakPolarHBondContact O-CB 3.42Å; D180-A184 PolarHBondContact O-N 3.26Å | ||
| 181 | I | 94.6 | Very high | 94.4 | Very high | 154 Ų | 154 | 55.1 Ų | 55.1 | 79% | 0.79 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.4 | -36.3 | -174.7 | -59.2 | 171 | 0 | 0 | 0 | 112 | A185 | I181-A185 WeakPolarHBondContact O-CB 3.42Å; I181-A185 PolarHBondContact O-N 3.35Å |
| 182 | A | 93.5 | Very high | 94.4 | Very high | 64 Ų | 64 | 54 Ų | 54 | 53% | 0.529 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.8 | -42.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | D180 | D180-A182 VanDerWaalsContact C-N 3.28Å; D180-A182 PolarHBondContact O-N 3.37Å; D180-A182 WeakPolarHBondContact OD2-CA 3.21Å; D180-A182 VanDerWaalsContact OD2-CB 3.29Å; D180-A182 WeakPolarHBondContact OD2-CB 3.42Å; D180-A182 PolarHBondContact OD2-N 3.38Å |
| 183 | S | 93.6 | Very high | 94.1 | Very high | 33 Ų | 33 | 63.3 Ų | 63.3 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -74.9 | -36.4 | 175.2 | -52.1 | 0 | 0 | 0 | 0 | 112.1 | D180 A185 K186 | D180-S183 PolarHBondContact O-N 3.16Å; D180-S183 WeakPolarHBondContact OD1-CB 3.38Å; D180-S183 PolarHBondContact OD1-OG 3.47Å; D180-S183 PolarHBondContact OD2-N 3.01Å; D180-S183 VanDerWaalsContact OD2-N 3.13Å; S183-A185 VanDerWaalsContact C-N 3.26Å; S183-A185 PolarHBondContact O-N 2.96Å; S183-K186 VanDerWaalsContact O-CB 3.25Å; S183-K186 WeakPolarHBondContact O-CB 3.31Å; S183-K186 PolarHBondContact O-N 2.83Å; S183-K186 VanDerWaalsContact O-N 3.07Å |
| 184 | A | 95.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 66.1 Ų | 66.1 | 15% | 0.149 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.2 | -38.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | V176 D180 K186 H187 | V176-A184 HydrophobicContact CG1-CB 3.97Å; D180-A184 VanDerWaalsContact O-CB 3.23Å; D180-A184 WeakPolarHBondContact O-CB 3.42Å; D180-A184 PolarHBondContact O-N 3.26Å; A184-K186 PolarHBondContact O-N 3.21Å; A184-H187 WeakPolarHBondContact O-CB 3.39Å; A184-H187 PolarHBondContact O-N 3.48Å; A184-H187 VanDerWaalsContact O-N 3.09Å |
| 185 | A | 95.6 | Very high | 93.7 | Very high | 48 Ų | 48 | 67.4 Ų | 67.4 | 40% | 0.397 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I181 S183 H187 K226 | I181-A185 WeakPolarHBondContact O-CB 3.42Å; I181-A185 PolarHBondContact O-N 3.35Å; S183-A185 VanDerWaalsContact C-N 3.26Å; S183-A185 PolarHBondContact O-N 2.96Å; A185-H187 VanDerWaalsContact C-N 3.35Å; A185-K226 PolarHBondContact O-NZ 2.83Å |
| 186 | K | 95.1 | Very high | 92.7 | Very high | 40 Ų | 40 | 67.8 Ų | 67.8 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -18.2 | 175.3 | -61.7 | 172.4 | -175 | -171.3 | 0 | 112.3 | S183 A184 F188 W223 E414 V416 S427 L429 | S183-K186 VanDerWaalsContact O-CB 3.25Å; S183-K186 WeakPolarHBondContact O-CB 3.31Å; S183-K186 PolarHBondContact O-N 2.83Å; S183-K186 VanDerWaalsContact O-N 3.07Å; A184-K186 PolarHBondContact O-N 3.21Å; K186-F188 VanDerWaalsContact O-CD1 3.29Å; K186-F188 WeakPolarHBondContact O-CD1 3.3Å; K186-F188 PolarHBondContact O-N 3.31Å; K186-W223 HydrophobicContact CB-CH2 4.43Å; K186-W223 HydrophobicContact CB-CZ3 3.91Å; K186-W223 HydrophobicContact CD-CH2 4.23Å; K186-W223 HydrophobicContact CD-CZ3 4.46Å; K186-W223 HydrophobicContact CG-CH2 4.33Å; K186-W223 HydrophobicContact CG-CZ3 4.07Å; K186-E414 WeakPolarHBondContact CD-OE2 3.3Å; K186-E414 WeakPolarHBondContact CE-OE2 3.36Å; K186-E414 IonicContact NZ-OE1 2.84Å; K186-E414 PolarHBondContact NZ-OE1 2.8Å; K186-E414 IonicContact NZ-OE2 3.26Å; K186-E414 PolarHBondContact NZ-OE2 2.83Å; K186-V416 HydrophobicContact CB-CG2 4.19Å; K186-V416 HydrophobicContact CD-CG2 4.32Å; K186-S427 VanDerWaalsContact O-CB 3.31Å; K186-S427 WeakPolarHBondContact O-CB 3.44Å; K186-S427 PolarHBondContact O-OG 3.49Å; K186-L429 HydrophobicContact CB-CD2 4.38Å |
| 187 | H | 96 | Very high | 92.6 | Very high | 52 Ų | 52 | 67.4 Ų | 67.4 | 24% | 0.241 | 36% | 0.358 | C | S | . | . | trans | -77.6 | 115.5 | 166.8 | -176.4 | 53.6 | 0 | 0 | 0 | 109.7 | V176 A184 A185 S427 L429 | V176-H187 HydrophobicContact CG2-CB 3.77Å; V176-H187 VanDerWaalsContact CG2-CD2 3.41Å; V176-H187 WeakPolarHBondContact CG2-CD2 3.3Å; A184-H187 WeakPolarHBondContact O-CB 3.39Å; A184-H187 PolarHBondContact O-N 3.48Å; A184-H187 VanDerWaalsContact O-N 3.09Å; A185-H187 VanDerWaalsContact C-N 3.35Å; H187-S427 WeakPolarHBondContact CA-O 3.47Å; H187-S427 PolarHBondContact ND1-O 3.41Å; H187-L429 HydrophobicContact CB-CD1 4.33Å; H187-L429 HydrophobicContact CB-CG 4.13Å | ||
| 188 | F | 95.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 62.5 Ų | 62.5 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 156.5 | 175.1 | 65.2 | -89.8 | 0 | 0 | 0 | 111.6 | K186 L190 W223 F425 S427 | K186-F188 VanDerWaalsContact O-CD1 3.29Å; K186-F188 WeakPolarHBondContact O-CD1 3.3Å; K186-F188 PolarHBondContact O-N 3.31Å; F188-L190 HydrophobicContact CD2-CD2 4.04Å; F188-L190 HydrophobicContact CD2-CG 4.05Å; F188-L190 HydrophobicContact CE2-CD1 4.09Å; F188-L190 HydrophobicContact CE2-CD2 4.04Å; F188-L190 HydrophobicContact CE2-CG 3.84Å; F188-W223 HydrophobicContact CE1-CE3 4.13Å; F188-W223 HydrophobicContact CZ-CB 4.48Å; F188-F425 HydrophobicContact CE2-CD1 4.28Å; F188-F425 HydrophobicContact CE2-CE1 4.02Å; F188-F425 HydrophobicContact CZ-CE1 4.13Å; F188-S427 PolarHBondContact N-O 3.39Å; F188-S427 PolarHBondContact O-N 3.26Å |
| 189 | D | 94.6 | Very high | 92.7 | Very high | 87 Ų | 87 | 65 Ų | 65 | 47% | 0.465 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135.1 | 178.4 | -69.4 | -13.3 | 0 | 0 | 0 | 111 | F425 T426 | D189-F425 CarbonylContact C-O 3.52Å; D189-F425 WeakPolarHBondContact CA-O 3.43Å; D189-T426 HydrophobicContact CB-CG2 4.28Å; D189-T426 VanDerWaalsContact CG-CG2 3.45Å; D189-T426 WeakPolarHBondContact OD1-CA 3.43Å; D189-T426 WeakPolarHBondContact OD1-CB 2.99Å; D189-T426 WeakPolarHBondContact OD1-CG2 3.48Å |
| 190 | L | 93.8 | Very high | 92.8 | Very high | 50 Ų | 50 | 63.6 Ų | 63.6 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 108.9 | 171.9 | -59.5 | 179.5 | 0 | 0 | 0 | 109 | F188 L192 L211 L221 G424 F425 | F188-L190 HydrophobicContact CD2-CD2 4.04Å; F188-L190 HydrophobicContact CD2-CG 4.05Å; F188-L190 HydrophobicContact CE2-CD1 4.09Å; F188-L190 HydrophobicContact CE2-CD2 4.04Å; F188-L190 HydrophobicContact CE2-CG 3.84Å; L190-L192 HydrophobicContact CB-CD1 4.3Å; L190-L192 HydrophobicContact CB-CG 4.21Å; L190-L192 PolarHBondContact O-N 3.23Å; L190-L211 HydrophobicContact CD1-CD1 3.84Å; L190-L221 HydrophobicContact CD1-CD2 4.34Å; L190-G424 WeakPolarHBondContact O-CA 3.34Å; L190-F425 HydrophobicContact CB-CB 4.3Å; L190-F425 HydrophobicContact CD1-CB 4.48Å; L190-F425 HydrophobicContact CD1-CD1 3.92Å; L190-F425 HydrophobicContact CG-CD1 4.18Å; L190-F425 PolarHBondContact N-O 3.26Å; L190-F425 PolarHBondContact O-N 3.4Å |
| 191 | N | 93.9 | Very high | 92.8 | Very high | 112 Ų | 112 | 60.9 Ų | 60.9 | 60% | 0.599 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 91 | 179.9 | -74.7 | -47.6 | 0 | 0 | 0 | 111.3 | ||
| 192 | L | 92.6 | Very high | 92.9 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 26% | 0.257 | 28% | 0.279 | S | S | . | . | trans | -113.4 | 56.3 | -174.5 | -57.3 | 175.1 | 0 | 0 | 0 | 112.2 | L190 Q194 Y198 G423 | L190-L192 HydrophobicContact CB-CD1 4.3Å; L190-L192 HydrophobicContact CB-CG 4.21Å; L190-L192 PolarHBondContact O-N 3.23Å; L192-Q194 PolarHBondContact O-N 3.28Å; L192-Q194 VanDerWaalsContact O-N 3.11Å; L192-Y198 HydrophobicContact CB-CD2 4.17Å; L192-Y198 HydrophobicContact CB-CE1 4.44Å; L192-Y198 HydrophobicContact CB-CE2 3.39Å; L192-Y198 WeakPolarHBondContact CB-OH 3.46Å; L192-Y198 HydrophobicContact CD1-CD1 4.17Å; L192-Y198 HydrophobicContact CD1-CE1 3.62Å; L192-Y198 HydrophobicContact CD1-CE2 4.05Å; L192-Y198 HydrophobicContact CG-CE2 4.37Å; L192-Y198 VanDerWaalsContact O-CE2 3.28Å; L192-Y198 WeakPolarHBondContact O-CE2 3.32Å; L192-G423 CarbonylContact C-O 3.54Å; L192-G423 PolarHBondContact N-O 3.43Å | ||
| 193 | R | 88.7 | Confident | 92.8 | Very high | 199 Ų | 199 | 51.3 Ų | 51.3 | 75% | 0.751 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19 | -170.6 | -60.1 | -178 | -176.7 | -174.5 | 0.8 | 115.2 | ||
| 194 | Q | 89.3 | Confident | 92.7 | Very high | 139 Ų | 139 | 56.3 Ų | 56.3 | 65% | 0.65 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -42.4 | -169.7 | -63.6 | -178.9 | 6.3 | 0 | 0 | 113.4 | L192 R215 | L192-Q194 PolarHBondContact O-N 3.28Å; L192-Q194 VanDerWaalsContact O-N 3.11Å; Q194-R215 WeakPolarHBondContact O-CD 3.45Å; Q194-R215 PolarHBondContact O-NH1 3.35Å |
| 195 | F | 89.2 | Confident | 92.4 | Very high | 57 Ų | 57 | 56.7 Ų | 56.7 | 25% | 0.25 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -98.7 | 16 | -168 | -58 | -72.7 | 0 | 0 | 0 | 114.9 | G213 R214 R215 H217 | F195-G213 CarbonylContact O-C 3.55Å; F195-R214 PolarHBondContact O-N 3.34Å; F195-R215 HydrophobicContact CB-CB 4.31Å; F195-R215 HydrophobicContact CD1-CB 4.39Å; F195-R215 VanDerWaalsContact O-CB 3.31Å; F195-R215 WeakPolarHBondContact O-CB 3.09Å; F195-R215 WeakPolarHBondContact O-CG 3.32Å; F195-R215 PolarHBondContact O-N 3.32Å; F195-H217 HydrophobicContact CB-CB 3.5Å; F195-H217 VanDerWaalsContact CB-CB 3.5Å; F195-H217 HydrophobicContact CD1-CB 4.22Å; F195-H217 HydrophobicContact CD2-CB 3.78Å; F195-H217 AromaticContact CD2-CD2 3.99Å; F195-H217 AromaticContact CD2-CG 3.94Å; F195-H217 HydrophobicContact CG-CB 3.56Å |
| 196 | G | 75 | Confident | 92.2 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 14% | 0.144 | 26% | 0.256 | C | S | . | . | trans | 65.8 | 178.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y198 | G196-Y198 WeakPolarHBondContact O-CD2 3.36Å; G196-Y198 VanDerWaalsContact O-CE2 3.28Å; G196-Y198 WeakPolarHBondContact O-CE2 3.47Å; G196-Y198 PolarHBondContact O-N 3.16Å | ||
| 197 | P | 93.6 | Very high | 92.1 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -55.3 | 132.1 | -156 | 23.1 | -34.8 | 0 | 0 | 0 | 112.8 | R214 H406 | P197-R214 HydrophobicContact CG-CB 4Å; P197-R214 PolarHBondContact O-N 3.11Å; P197-R214 VanDerWaalsContact O-N 3.14Å; P197-H406 HydrophobicContact CB-CB 3.86Å; P197-H406 WeakPolarHBondContact CB-CD2 3.22Å; P197-H406 WeakPolarHBondContact CB-NE2 3.42Å |
| 198 | Y | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136.2 | -177 | -79 | -98 | 0 | 0 | 0 | 110.8 | L192 G196 L211 G212 H217 G420 H421 | L192-Y198 HydrophobicContact CB-CD2 4.17Å; L192-Y198 HydrophobicContact CB-CE1 4.44Å; L192-Y198 HydrophobicContact CB-CE2 3.39Å; L192-Y198 WeakPolarHBondContact CB-OH 3.46Å; L192-Y198 HydrophobicContact CD1-CD1 4.17Å; L192-Y198 HydrophobicContact CD1-CE1 3.62Å; L192-Y198 HydrophobicContact CD1-CE2 4.05Å; L192-Y198 HydrophobicContact CG-CE2 4.37Å; L192-Y198 VanDerWaalsContact O-CE2 3.28Å; L192-Y198 WeakPolarHBondContact O-CE2 3.32Å; G196-Y198 WeakPolarHBondContact O-CD2 3.36Å; G196-Y198 VanDerWaalsContact O-CE2 3.28Å; G196-Y198 WeakPolarHBondContact O-CE2 3.47Å; G196-Y198 PolarHBondContact O-N 3.16Å; Y198-L211 HydrophobicContact CD1-CB 4.12Å; Y198-G212 WeakPolarHBondContact CA-O 3.24Å; Y198-H217 AromaticContact CE1-ND1 3.48Å; Y198-H217 WeakPolarHBondContact CE1-ND1 3.46Å; Y198-H217 AromaticContact CZ-ND1 3.77Å; Y198-H217 PolarHBondContact OH-ND1 3.13Å; Y198-H217 VanDerWaalsContact OH-ND1 3.16Å; Y198-G420 CarbonylContact O-C 3.49Å; Y198-G420 VanDerWaalsContact O-CA 3.3Å; Y198-G420 WeakPolarHBondContact O-CA 3.48Å; Y198-H421 PolarHBondContact N-O 3.37Å |
| 199 | R | 94.7 | Very high | 92.1 | Very high | 75 Ų | 75 | 53.6 Ų | 53.6 | 28% | 0.283 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 158.4 | 158.8 | -68.9 | -159.6 | 168.3 | 162.3 | 0.5 | 109.8 | L211 G212 R239 D240 H406 | R199-L211 WeakPolarHBondContact O-CA 3.28Å; R199-G212 PolarHBondContact N-O 3.46Å; R199-G212 PolarHBondContact O-N 2.76Å; R199-R239 PolarHBondContact NH1-O 2.99Å; R199-D240 WeakPolarHBondContact CD-OD1 3.24Å; R199-D240 IonicContact CZ-OD1 3.9Å; R199-D240 IonicContact NE-OD1 3.58Å; R199-D240 IonicContact NH1-OD1 2.96Å; R199-D240 PolarHBondContact NH1-OD1 2.96Å; R199-H406 WeakPolarHBondContact CG-O 3.29Å; R199-H406 PolarHBondContact NE-O 3.2Å |
| 200 | L | 95.1 | Very high | 92.1 | Very high | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 155.2 | 179.6 | 67.4 | 126.9 | 0 | 0 | 0 | 111.5 | Y202 L209 A210 L211 Q409 F425 | L200-Y202 HydrophobicContact CD1-CD2 3.84Å; L200-Y202 HydrophobicContact CD1-CE2 3.65Å; L200-L209 HydrophobicContact CB-CD1 3.97Å; L200-L209 HydrophobicContact CD1-CD1 4.14Å; L200-A210 CarbonylContact C-O 3.46Å; L200-A210 VanDerWaalsContact CA-O 3.24Å; L200-A210 WeakPolarHBondContact CA-O 3.46Å; L200-L211 HydrophobicContact CB-CD2 3.78Å; L200-Q409 HydrophobicContact CD1-CB 3.68Å; L200-Q409 HydrophobicContact CG-CB 4.42Å; L200-F425 HydrophobicContact CB-CD2 4.44Å; L200-F425 HydrophobicContact CB-CE2 4.36Å; L200-F425 HydrophobicContact CD1-CE2 4.14Å; L200-F425 HydrophobicContact CD2-CD2 4.21Å; L200-F425 HydrophobicContact CD2-CE2 4.15Å; L200-F425 HydrophobicContact CG-CE2 4.45Å |
| 201 | N | 95.2 | Very high | 92.2 | Very high | 14 Ų | 14 | 47.4 Ų | 47.4 | 8% | 0.075 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 121 | 166.8 | -154.6 | -70.8 | 0 | 0 | 0 | 110.4 | A210 I241 H242 F243 | N201-A210 HydrophobicContact CB-CB 4.46Å; N201-A210 PolarHBondContact N-O 2.78Å; N201-A210 PolarHBondContact O-N 3.45Å; N201-I241 HydrophobicContact CB-CG2 4.33Å; N201-I241 WeakPolarHBondContact CB-O 3.35Å; N201-I241 PolarHBondContact ND2-O 2.99Å; N201-I241 VanDerWaalsContact ND2-O 3.1Å; N201-H242 WeakPolarHBondContact ND2-CA 2.95Å; N201-H242 PolarHBondContact ND2-CD2 3.13Å; N201-F243 HydrophobicContact CB-CD2 4.3Å; N201-F243 HydrophobicContact CB-CE2 4.38Å; N201-F243 WeakPolarHBondContact O-CE2 3.45Å; N201-F243 WeakPolarHBondContact OD1-CD2 3.42Å |
| 202 | Y | 95.3 | Very high | 92.2 | Very high | 4 Ų | 4 | 42.2 Ų | 42.2 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 140.9 | 168.5 | -76.3 | -73.9 | 0 | 0 | 0 | 110.9 | L200 L209 W223 Q409 C411 | L200-Y202 HydrophobicContact CD1-CD2 3.84Å; L200-Y202 HydrophobicContact CD1-CE2 3.65Å; Y202-L209 HydrophobicContact CD1-CB 4.19Å; Y202-L209 HydrophobicContact CD1-CD1 3.88Å; Y202-L209 HydrophobicContact CD2-CD1 4.35Å; Y202-L209 HydrophobicContact CE1-CB 4.07Å; Y202-L209 HydrophobicContact CE1-CD1 3.74Å; Y202-L209 HydrophobicContact CE1-CD2 4.35Å; Y202-L209 HydrophobicContact CE1-CG 4.27Å; Y202-L209 HydrophobicContact CE2-CD1 4.24Å; Y202-L209 HydrophobicContact CG-CD1 4.19Å; Y202-W223 AromaticContact CD1-NE1 3.98Å; Y202-W223 AromaticContact CE1-CD1 3.77Å; Y202-W223 HydrophobicContact CE1-CD2 4.07Å; Y202-W223 AromaticContact CE1-CE2 3.94Å; Y202-W223 AromaticContact CE1-CG 4Å; Y202-W223 HydrophobicContact CE1-CG 4Å; Y202-W223 AromaticContact CE1-NE1 3.71Å; Y202-Q409 HydrophobicContact CD2-CB 4.2Å; Y202-Q409 HydrophobicContact CD2-CG 4.27Å; Y202-C411 HydrophobicContact CD1-CB 4.43Å; Y202-C411 HydrophobicContact CD2-CB 4.4Å; Y202-C411 HydrophobicContact CE1-CB 4.23Å; Y202-C411 HydrophobicContact CE2-CB 4.2Å |
| 203 | S | 93.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | trans | -60.8 | 152.6 | 168.4 | 70.1 | 0 | 0 | 0 | 0 | 110.2 | T205 G206 R207 H208 | S203-T205 PolarHBondContact O-N 2.64Å; S203-T205 VanDerWaalsContact O-N 3.09Å; S203-T205 PolarHBondContact OG-OG1 2.97Å; S203-G206 WeakPolarHBondContact O-CA 3.37Å; S203-G206 PolarHBondContact O-N 2.77Å; S203-R207 PolarHBondContact OG-N 3.02Å; S203-H208 PolarHBondContact N-O 3.35Å; S203-H208 PolarHBondContact OG-N 3.01Å; S203-H208 PolarHBondContact OG-O 3.35Å | ||
| 204 | R | 89.6 | Confident | 92.6 | Very high | 138 Ų | 138 | 36.9 Ų | 36.9 | 52% | 0.521 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -29.4 | 177.7 | -69.3 | -178 | 172.7 | -179.6 | -5.1 | 113.9 | G206 L244 P412 F413 | R204-G206 VanDerWaalsContact C-N 3.28Å; R204-L244 VanDerWaalsContact NE-CD1 3.32Å; R204-P412 WeakPolarHBondContact O-CB 3.48Å; R204-F413 WeakPolarHBondContact O-CE2 3.47Å |
| 205 | T | 90.6 | Very high | 92.8 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 16% | 0.16 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -10.5 | 175.2 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | S203 R207 P445 | S203-T205 PolarHBondContact O-N 2.64Å; S203-T205 VanDerWaalsContact O-N 3.09Å; S203-T205 PolarHBondContact OG-OG1 2.97Å; T205-R207 PolarHBondContact O-N 3.39Å; T205-P445 WeakPolarHBondContact O-CG 3.39Å |
| 206 | G | 91.5 | Very high | 93 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 68.8 | 10.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S203 R204 W223 C411 | S203-G206 WeakPolarHBondContact O-CA 3.37Å; S203-G206 PolarHBondContact O-N 2.77Å; R204-G206 VanDerWaalsContact C-N 3.28Å; G206-W223 PolarHBondContact O-NE1 2.78Å; G206-C411 PolarHBondContact O-SG 2.8Å |
| 207 | R | 92.1 | Very high | 93.9 | Very high | 60 Ų | 60 | 35.4 Ų | 35.4 | 23% | 0.226 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -88.5 | -36.7 | -177.6 | -174.6 | 62.6 | -174.8 | -166.9 | 3.6 | 113.9 | S203 T205 D222 W223 | S203-R207 PolarHBondContact OG-N 3.02Å; T205-R207 PolarHBondContact O-N 3.39Å; R207-D222 IonicContact CZ-OD1 2.66Å; R207-D222 IonicContact CZ-OD2 3.5Å; R207-D222 IonicContact NE-OD1 2.59Å; R207-D222 PolarHBondContact NE-OD1 3.3Å; R207-D222 IonicContact NE-OD2 3.59Å; R207-D222 PolarHBondContact NE-OD2 3.34Å; R207-D222 IonicContact NH2-OD1 2.75Å; R207-D222 PolarHBondContact NH2-OD1 2.83Å; R207-D222 IonicContact NH2-OD2 2.99Å; R207-D222 PolarHBondContact NH2-OD2 3.24Å; R207-W223 VanDerWaalsContact O-CD1 3.29Å |
| 208 | H | 94.4 | Very high | 94 | Very high | 41 Ų | 41 | 35.8 Ų | 35.8 | 19% | 0.19 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 145 | -174.7 | -58.3 | -53 | 0 | 0 | 0 | 110.5 | S203 L221 M229 | S203-H208 PolarHBondContact N-O 3.35Å; S203-H208 PolarHBondContact OG-N 3.01Å; S203-H208 PolarHBondContact OG-O 3.35Å; H208-L221 WeakPolarHBondContact CA-O 3.33Å; H208-M229 VanDerWaalsContact CE1-SD 3.58Å; H208-M229 PolarHBondContact ND1-SD 3.06Å |
| 209 | L | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 127.7 | 177.2 | 175.5 | 62.5 | 0 | 0 | 0 | 108.5 | L200 Y202 L211 A220 L221 W223 F425 | L200-L209 HydrophobicContact CB-CD1 3.97Å; L200-L209 HydrophobicContact CD1-CD1 4.14Å; Y202-L209 HydrophobicContact CD1-CB 4.19Å; Y202-L209 HydrophobicContact CD1-CD1 3.88Å; Y202-L209 HydrophobicContact CD2-CD1 4.35Å; Y202-L209 HydrophobicContact CE1-CB 4.07Å; Y202-L209 HydrophobicContact CE1-CD1 3.74Å; Y202-L209 HydrophobicContact CE1-CD2 4.35Å; Y202-L209 HydrophobicContact CE1-CG 4.27Å; Y202-L209 HydrophobicContact CE2-CD1 4.24Å; Y202-L209 HydrophobicContact CG-CD1 4.19Å; L209-L211 HydrophobicContact CD1-CD2 4.26Å; L209-L211 HydrophobicContact CD2-CD1 4.46Å; L209-L211 HydrophobicContact CD2-CD2 4.14Å; L209-L211 HydrophobicContact CD2-CG 4.27Å; L209-L211 HydrophobicContact CG-CD2 4.15Å; L209-L211 HydrophobicContact CG-CG 4.17Å; L209-A220 CarbonylContact O-C 3.58Å; L209-A220 WeakPolarHBondContact O-CA 3.43Å; L209-L221 HydrophobicContact CB-CD1 4.18Å; L209-L221 HydrophobicContact CB-CG 4.46Å; L209-L221 HydrophobicContact CD2-CD1 4.27Å; L209-L221 PolarHBondContact N-O 2.87Å; L209-L221 PolarHBondContact O-N 3.48Å; L209-W223 HydrophobicContact CB-CB 3.88Å; L209-W223 HydrophobicContact CB-CG 4.2Å; L209-W223 HydrophobicContact CD2-CB 4.12Å; L209-F425 HydrophobicContact CD1-CE2 4.45Å; L209-F425 HydrophobicContact CD2-CD1 4.3Å; L209-F425 HydrophobicContact CD2-CE1 3.66Å; L209-F425 HydrophobicContact CD2-CE2 3.98Å; L209-F425 HydrophobicContact CD2-CZ 3.48Å; L209-F425 VanDerWaalsContact CD2-CZ 3.48Å |
| 210 | A | 95.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L200 N201 A219 I241 F243 | L200-A210 CarbonylContact C-O 3.46Å; L200-A210 VanDerWaalsContact CA-O 3.24Å; L200-A210 WeakPolarHBondContact CA-O 3.46Å; N201-A210 HydrophobicContact CB-CB 4.46Å; N201-A210 PolarHBondContact N-O 2.78Å; N201-A210 PolarHBondContact O-N 3.45Å; A210-A219 CarbonylContact C-O 3.53Å; A210-A219 WeakPolarHBondContact CA-O 3.41Å; A210-I241 HydrophobicContact CB-CG2 3.7Å; A210-F243 HydrophobicContact CB-CE2 3.93Å; A210-F243 HydrophobicContact CB-CZ 3.72Å |
| 211 | L | 95.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 139.2 | -179.6 | -66.7 | 178 | 0 | 0 | 0 | 109.7 | L190 Y198 R199 L200 L209 V218 A219 L221 I241 F425 | L190-L211 HydrophobicContact CD1-CD1 3.84Å; Y198-L211 HydrophobicContact CD1-CB 4.12Å; R199-L211 WeakPolarHBondContact O-CA 3.28Å; L200-L211 HydrophobicContact CB-CD2 3.78Å; L209-L211 HydrophobicContact CD1-CD2 4.26Å; L209-L211 HydrophobicContact CD2-CD1 4.46Å; L209-L211 HydrophobicContact CD2-CD2 4.14Å; L209-L211 HydrophobicContact CD2-CG 4.27Å; L209-L211 HydrophobicContact CG-CD2 4.15Å; L209-L211 HydrophobicContact CG-CG 4.17Å; L211-V218 WeakPolarHBondContact O-CA 3.23Å; L211-A219 PolarHBondContact N-O 3.01Å; L211-A219 PolarHBondContact O-N 3.41Å; L211-L221 HydrophobicContact CD1-CD2 4.16Å; L211-I241 WeakPolarHBondContact O-CD1 3.45Å; L211-F425 HydrophobicContact CD1-CB 4.24Å; L211-F425 HydrophobicContact CD1-CG 4.36Å; L211-F425 HydrophobicContact CD2-CB 4.09Å; L211-F425 HydrophobicContact CD2-CD2 3.69Å; L211-F425 HydrophobicContact CD2-CE2 4.29Å; L211-F425 HydrophobicContact CD2-CG 3.89Å |
| 212 | G | 95.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 34.2 Ų | 34.2 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 107.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y198 R199 H217 | Y198-G212 WeakPolarHBondContact CA-O 3.24Å; R199-G212 PolarHBondContact N-O 3.46Å; R199-G212 PolarHBondContact O-N 2.76Å; G212-H217 CarbonylContact C-O 3.57Å; G212-H217 WeakPolarHBondContact CA-O 3.44Å |
| 213 | G | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 135.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F195 R215 G216 H217 V238 | F195-G213 CarbonylContact O-C 3.55Å; G213-R215 PolarHBondContact O-N 2.92Å; G213-G216 PolarHBondContact O-N 2.99Å; G213-H217 PolarHBondContact N-O 3.23Å; G213-V238 WeakPolarHBondContact O-CB 3.38Å |
| 214 | R | 93.6 | Very high | 94 | Very high | 136 Ų | 136 | 35.8 Ų | 35.8 | 51% | 0.513 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -22 | -179.6 | -174.5 | 174.7 | 176.6 | -170.8 | -1.2 | 114.3 | F195 P197 A237 V238 | F195-R214 PolarHBondContact O-N 3.34Å; P197-R214 HydrophobicContact CG-CB 4Å; P197-R214 PolarHBondContact O-N 3.11Å; P197-R214 VanDerWaalsContact O-N 3.14Å; R214-A237 VanDerWaalsContact O-CA 3.23Å; R214-A237 WeakPolarHBondContact O-CA 3.47Å; R214-V238 WeakPolarHBondContact CA-O 3.28Å; R214-V238 PolarHBondContact O-N 2.74Å |
| 215 | R | 93.3 | Very high | 94.1 | Very high | 168 Ų | 168 | 32.9 Ų | 32.9 | 63% | 0.634 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6.8 | -179.3 | -60.4 | -180 | 65.6 | -174.6 | 6.7 | 114.9 | Q194 F195 G213 | Q194-R215 WeakPolarHBondContact O-CD 3.45Å; Q194-R215 PolarHBondContact O-NH1 3.35Å; F195-R215 HydrophobicContact CB-CB 4.31Å; F195-R215 HydrophobicContact CD1-CB 4.39Å; F195-R215 VanDerWaalsContact O-CB 3.31Å; F195-R215 WeakPolarHBondContact O-CB 3.09Å; F195-R215 WeakPolarHBondContact O-CG 3.32Å; F195-R215 PolarHBondContact O-N 3.32Å; G213-R215 PolarHBondContact O-N 2.92Å |
| 216 | G | 92.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 118.8 | -12 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G213 V218 N233 V234 E236 | G213-G216 PolarHBondContact O-N 2.99Å; G216-V218 PolarHBondContact O-N 3.27Å; G216-N233 VanDerWaalsContact C-OD1 3.31Å; G216-N233 WeakPolarHBondContact O-CA 3.39Å; G216-N233 PolarHBondContact O-OD1 3.33Å; G216-V234 PolarHBondContact O-N 2.71Å; G216-E236 WeakPolarHBondContact CA-O 3.38Å; G216-E236 PolarHBondContact N-O 3.4Å |
| 217 | H | 95.5 | Very high | 94.4 | Very high | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.046 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 125.1 | 179.7 | -175.5 | -98.8 | 0 | 0 | 0 | 110.9 | F195 Y198 G212 G213 E231 | F195-H217 HydrophobicContact CB-CB 3.5Å; F195-H217 VanDerWaalsContact CB-CB 3.5Å; F195-H217 HydrophobicContact CD1-CB 4.22Å; F195-H217 HydrophobicContact CD2-CB 3.78Å; F195-H217 AromaticContact CD2-CD2 3.99Å; F195-H217 AromaticContact CD2-CG 3.94Å; F195-H217 HydrophobicContact CG-CB 3.56Å; Y198-H217 AromaticContact CE1-ND1 3.48Å; Y198-H217 WeakPolarHBondContact CE1-ND1 3.46Å; Y198-H217 AromaticContact CZ-ND1 3.77Å; Y198-H217 PolarHBondContact OH-ND1 3.13Å; Y198-H217 VanDerWaalsContact OH-ND1 3.16Å; G212-H217 CarbonylContact C-O 3.57Å; G212-H217 WeakPolarHBondContact CA-O 3.44Å; G213-H217 PolarHBondContact N-O 3.23Å; H217-E231 IonicContact CD2-OE1 3.23Å; H217-E231 IonicContact CE1-OE1 2.74Å; H217-E231 IonicContact NE2-OE1 2.7Å; H217-E231 PolarHBondContact NE2-OE1 2.95Å |
| 218 | V | 95.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 23% | 0.23 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.9 | 175.9 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | L211 G216 E231 I232 V234 V238 I241 | L211-V218 WeakPolarHBondContact O-CA 3.23Å; G216-V218 PolarHBondContact O-N 3.27Å; V218-E231 WeakPolarHBondContact O-CA 3.34Å; V218-I232 PolarHBondContact N-O 3.14Å; V218-I232 PolarHBondContact O-N 2.98Å; V218-V234 HydrophobicContact CG2-CG2 3.94Å; V218-V238 HydrophobicContact CG2-CG2 3.84Å; V218-I241 HydrophobicContact CB-CD1 4.47Å; V218-I241 HydrophobicContact CG1-CD1 3.85Å; V218-I241 HydrophobicContact CG2-CD1 4.1Å |
| 219 | A | 95.2 | Very high | 94.6 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 5% | 0.05 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | A210 L211 L228 C230 | A210-A219 CarbonylContact C-O 3.53Å; A210-A219 WeakPolarHBondContact CA-O 3.41Å; L211-A219 PolarHBondContact N-O 3.01Å; L211-A219 PolarHBondContact O-N 3.41Å; A219-L228 HydrophobicContact CB-CD1 4.21Å; A219-C230 CarbonylContact C-O 3.43Å; A219-C230 VanDerWaalsContact CA-O 3.32Å; A219-C230 WeakPolarHBondContact CA-O 3.21Å |
| 220 | A | 95.9 | Very high | 94.5 | Very high | 27 Ų | 27 | 51 Ų | 51 | 22% | 0.223 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | L209 M229 C230 | L209-A220 CarbonylContact O-C 3.58Å; L209-A220 WeakPolarHBondContact O-CA 3.43Å; A220-M229 WeakPolarHBondContact O-CA 3.28Å; A220-M229 WeakPolarHBondContact O-CB 3.45Å; A220-M229 PolarHBondContact O-N 3.42Å; A220-C230 HydrophobicContact CB-CB 4.3Å; A220-C230 PolarHBondContact N-O 3.04Å; A220-C230 PolarHBondContact O-N 2.77Å |
| 221 | L | 95.3 | Very high | 94.4 | Very high | 18 Ų | 18 | 56.2 Ų | 56.2 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 150.1 | -175.8 | 61 | 91.3 | 0 | 0 | 0 | 111.3 | L190 H208 L209 L211 W223 K227 L228 | L190-L221 HydrophobicContact CD1-CD2 4.34Å; H208-L221 WeakPolarHBondContact CA-O 3.33Å; L209-L221 HydrophobicContact CB-CD1 4.18Å; L209-L221 HydrophobicContact CB-CG 4.46Å; L209-L221 HydrophobicContact CD2-CD1 4.27Å; L209-L221 PolarHBondContact N-O 2.87Å; L209-L221 PolarHBondContact O-N 3.48Å; L211-L221 HydrophobicContact CD1-CD2 4.16Å; L221-W223 HydrophobicContact CD1-CB 3.44Å; L221-W223 VanDerWaalsContact CD1-CB 3.44Å; L221-W223 PolarHBondContact O-N 3.45Å; L221-K227 CarbonylContact C-O 3.49Å; L221-K227 WeakPolarHBondContact CA-O 3.11Å; L221-L228 HydrophobicContact CB-CD1 4.27Å |
| 222 | D | 94.9 | Very high | 94.5 | Very high | 18 Ų | 18 | 60.6 Ų | 60.6 | 10% | 0.096 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 104.7 | 162.1 | 180 | -40.9 | 0 | 0 | 0 | 106.6 | R207 V224 T225 K226 K227 | R207-D222 IonicContact CZ-OD1 2.66Å; R207-D222 IonicContact CZ-OD2 3.5Å; R207-D222 IonicContact NE-OD1 2.59Å; R207-D222 PolarHBondContact NE-OD1 3.3Å; R207-D222 IonicContact NE-OD2 3.59Å; R207-D222 PolarHBondContact NE-OD2 3.34Å; R207-D222 IonicContact NH2-OD1 2.75Å; R207-D222 PolarHBondContact NH2-OD1 2.83Å; R207-D222 IonicContact NH2-OD2 2.99Å; R207-D222 PolarHBondContact NH2-OD2 3.24Å; D222-V224 PolarHBondContact OD1-N 3.09Å; D222-T225 WeakPolarHBondContact CB-OG1 3.48Å; D222-T225 PolarHBondContact OD1-N 3.27Å; D222-T225 PolarHBondContact OD1-OG1 2.86Å; D222-T225 PolarHBondContact OD2-OG1 3.48Å; D222-K226 CarbonylContact O-C 3.57Å; D222-K226 WeakPolarHBondContact O-CA 3.42Å; D222-K226 PolarHBondContact O-N 3.46Å; D222-K227 HydrophobicContact CB-CB 4.46Å; D222-K227 PolarHBondContact N-O 3.33Å; D222-K227 PolarHBondContact O-N 2.84Å |
| 223 | W | 93.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -25.7 | -166.3 | 70.6 | -86.2 | 0 | 0 | 0 | 112.7 | K186 F188 Y202 G206 R207 L209 L221 C411 E414 V416 | K186-W223 HydrophobicContact CB-CH2 4.43Å; K186-W223 HydrophobicContact CB-CZ3 3.91Å; K186-W223 HydrophobicContact CD-CH2 4.23Å; K186-W223 HydrophobicContact CD-CZ3 4.46Å; K186-W223 HydrophobicContact CG-CH2 4.33Å; K186-W223 HydrophobicContact CG-CZ3 4.07Å; F188-W223 HydrophobicContact CE1-CE3 4.13Å; F188-W223 HydrophobicContact CZ-CB 4.48Å; Y202-W223 AromaticContact CD1-NE1 3.98Å; Y202-W223 AromaticContact CE1-CD1 3.77Å; Y202-W223 HydrophobicContact CE1-CD2 4.07Å; Y202-W223 AromaticContact CE1-CE2 3.94Å; Y202-W223 AromaticContact CE1-CG 4Å; Y202-W223 HydrophobicContact CE1-CG 4Å; Y202-W223 AromaticContact CE1-NE1 3.71Å; G206-W223 PolarHBondContact O-NE1 2.78Å; R207-W223 VanDerWaalsContact O-CD1 3.29Å; L209-W223 HydrophobicContact CB-CB 3.88Å; L209-W223 HydrophobicContact CB-CG 4.2Å; L209-W223 HydrophobicContact CD2-CB 4.12Å; L221-W223 HydrophobicContact CD1-CB 3.44Å; L221-W223 VanDerWaalsContact CD1-CB 3.44Å; L221-W223 PolarHBondContact O-N 3.45Å; W223-C411 HydrophobicContact CZ2-CB 4.27Å; W223-C411 WeakPolarHBondContact CZ2-SG 3.47Å; W223-E414 WeakPolarHBondContact CH2-OE2 3.27Å; W223-E414 WeakPolarHBondContact CZ2-OE2 3.33Å; W223-V416 HydrophobicContact CH2-CB 4.26Å; W223-V416 HydrophobicContact CH2-CG1 4.31Å; W223-V416 HydrophobicContact CH2-CG2 3.9Å; W223-V416 HydrophobicContact CZ3-CG1 4.27Å; W223-V416 HydrophobicContact CZ3-CG2 4.28Å |
| 224 | V | 92.3 | Very high | 94.3 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 30% | 0.303 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -48.1 | 174.5 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | D222 K226 | D222-V224 PolarHBondContact OD1-N 3.09Å; V224-K226 VanDerWaalsContact C-N 3.34Å |
| 225 | T | 92.8 | Very high | 94.1 | Very high | 76 Ų | 76 | 68.9 Ų | 68.9 | 47% | 0.466 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -7.1 | 178.2 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | D222 K227 | D222-T225 WeakPolarHBondContact CB-OG1 3.48Å; D222-T225 PolarHBondContact OD1-N 3.27Å; D222-T225 PolarHBondContact OD1-OG1 2.86Å; D222-T225 PolarHBondContact OD2-OG1 3.48Å; T225-K227 PolarHBondContact O-N 3.18Å |
| 226 | K | 93.8 | Very high | 94.1 | Very high | 118 Ų | 118 | 67.8 Ų | 67.8 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 25.1 | -175.8 | -55.6 | 165.8 | -174.3 | 176.1 | 0 | 112.6 | A185 D222 V224 | A185-K226 PolarHBondContact O-NZ 2.83Å; D222-K226 CarbonylContact O-C 3.57Å; D222-K226 WeakPolarHBondContact O-CA 3.42Å; D222-K226 PolarHBondContact O-N 3.46Å; V224-K226 VanDerWaalsContact C-N 3.34Å |
| 227 | K | 95 | Very high | 94 | Very high | 147 Ų | 147 | 70.7 Ų | 70.7 | 64% | 0.639 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 118.6 | -179.8 | -176.3 | 177.2 | 178.5 | 177.4 | 0 | 110.3 | L221 D222 T225 M229 | L221-K227 CarbonylContact C-O 3.49Å; L221-K227 WeakPolarHBondContact CA-O 3.11Å; D222-K227 HydrophobicContact CB-CB 4.46Å; D222-K227 PolarHBondContact N-O 3.33Å; D222-K227 PolarHBondContact O-N 2.84Å; T225-K227 PolarHBondContact O-N 3.18Å; K227-M229 PolarHBondContact O-N 2.77Å |
| 228 | L | 95.2 | Very high | 93.8 | Very high | 84 Ų | 84 | 71.5 Ų | 71.5 | 44% | 0.44 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 128.5 | 172.2 | -171.3 | 68.2 | 0 | 0 | 0 | 110.2 | A219 L221 E231 | A219-L228 HydrophobicContact CB-CD1 4.21Å; L221-L228 HydrophobicContact CB-CD1 4.27Å; L228-E231 HydrophobicContact CD1-CB 4.29Å; L228-E231 HydrophobicContact CD2-CB 3.87Å; L228-E231 WeakPolarHBondContact CD2-OE2 3.45Å; L228-E231 HydrophobicContact CG-CB 4.42Å |
| 229 | M | 93.6 | Very high | 93.5 | Very high | 108 Ų | 108 | 76.1 Ų | 76.1 | 53% | 0.532 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -43.4 | 175.3 | -61.8 | 178.5 | 62.7 | 0 | 0 | 111.1 | H208 A220 K227 | H208-M229 VanDerWaalsContact CE1-SD 3.58Å; H208-M229 PolarHBondContact ND1-SD 3.06Å; A220-M229 WeakPolarHBondContact O-CA 3.28Å; A220-M229 WeakPolarHBondContact O-CB 3.45Å; A220-M229 PolarHBondContact O-N 3.42Å; K227-M229 PolarHBondContact O-N 2.77Å |
| 230 | C | 94 | Very high | 93 | Very high | 56 Ų | 56 | 80.1 Ų | 80.1 | 38% | 0.378 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 140.4 | -175.3 | -172.9 | 0 | 0 | 0 | 0 | 109.4 | A219 A220 I232 | A219-C230 CarbonylContact C-O 3.43Å; A219-C230 VanDerWaalsContact CA-O 3.32Å; A219-C230 WeakPolarHBondContact CA-O 3.21Å; A220-C230 HydrophobicContact CB-CB 4.3Å; A220-C230 PolarHBondContact N-O 3.04Å; A220-C230 PolarHBondContact O-N 2.77Å; C230-I232 WeakPolarHBondContact SG-CD1 3.37Å |
| 231 | E | 95.3 | Very high | 92.6 | Very high | 116 Ų | 116 | 80.1 Ų | 80.1 | 54% | 0.542 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 125.3 | 171 | 178.7 | 172.8 | -161 | 0 | 0 | 108.3 | H217 V218 L228 | H217-E231 IonicContact CD2-OE1 3.23Å; H217-E231 IonicContact CE1-OE1 2.74Å; H217-E231 IonicContact NE2-OE1 2.7Å; H217-E231 PolarHBondContact NE2-OE1 2.95Å; V218-E231 WeakPolarHBondContact O-CA 3.34Å; L228-E231 HydrophobicContact CD1-CB 4.29Å; L228-E231 HydrophobicContact CD2-CB 3.87Å; L228-E231 WeakPolarHBondContact CD2-OE2 3.45Å; L228-E231 HydrophobicContact CG-CB 4.42Å |
| 232 | I | 95.4 | Very high | 92.1 | Very high | 93 Ų | 93 | 83.9 Ų | 83.9 | 48% | 0.477 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 142 | -174.9 | -58 | 173.1 | 0 | 0 | 0 | 107.8 | V218 C230 V234 | V218-I232 PolarHBondContact N-O 3.14Å; V218-I232 PolarHBondContact O-N 2.98Å; C230-I232 WeakPolarHBondContact SG-CD1 3.37Å; I232-V234 HydrophobicContact CG2-CG2 4.35Å |
| 233 | N | 95.1 | Very high | 91.2 | Very high | 75 Ų | 75 | 87.9 Ų | 87.9 | 40% | 0.401 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 112.9 | 166.6 | -170.8 | 9.3 | 0 | 0 | 0 | 109.4 | G216 M235 | G216-N233 VanDerWaalsContact C-OD1 3.31Å; G216-N233 WeakPolarHBondContact O-CA 3.39Å; G216-N233 PolarHBondContact O-OD1 3.33Å; N233-M235 VanDerWaalsContact C-N 3.28Å; N233-M235 PolarHBondContact O-N 3.25Å; N233-M235 PolarHBondContact OD1-N 3.22Å |
| 234 | V | 92.3 | Very high | 90 | Very high | 72 Ų | 72 | 91.3 Ų | 91.3 | 44% | 0.436 | 46% | 0.462 | S | S | . | . | trans | -80.1 | -11.6 | -175.7 | -173 | 0 | 0 | 0 | 0 | 111.7 | G216 V218 I232 E236 | G216-V234 PolarHBondContact O-N 2.71Å; V218-V234 HydrophobicContact CG2-CG2 3.94Å; I232-V234 HydrophobicContact CG2-CG2 4.35Å; V234-E236 HydrophobicContact CG1-CB 4.37Å; V234-E236 PolarHBondContact O-N 3.29Å | ||
| 235 | M | 90.3 | Very high | 89 | Confident | 167 Ų | 167 | 92.4 Ų | 92.4 | 82% | 0.823 | 47% | 0.465 | S | S | * | . | S | Bend | trans | 57 | 9 | -176.5 | -52 | -169.9 | -165.5 | 0 | 0 | 115.2 | N233 | N233-M235 VanDerWaalsContact C-N 3.28Å; N233-M235 PolarHBondContact O-N 3.25Å; N233-M235 PolarHBondContact OD1-N 3.22Å |
| 236 | E | 91.8 | Very high | 88.6 | Confident | 145 Ų | 145 | 89.9 Ų | 89.9 | 68% | 0.678 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -123.1 | 169.1 | 175.7 | -67.2 | -169.8 | 167.6 | 0 | 0 | 111.1 | G216 V234 V238 | G216-E236 WeakPolarHBondContact CA-O 3.38Å; G216-E236 PolarHBondContact N-O 3.4Å; V234-E236 HydrophobicContact CG1-CB 4.37Å; V234-E236 PolarHBondContact O-N 3.29Å; E236-V238 PolarHBondContact O-N 2.87Å |
| 237 | A | 91 | Very high | 88.3 | Confident | 61 Ų | 61 | 86.9 Ų | 86.9 | 50% | 0.504 | 44% | 0.444 | S | S | . | . | trans | -76.3 | 108.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.2 | R214 R239 | R214-A237 VanDerWaalsContact O-CA 3.23Å; R214-A237 WeakPolarHBondContact O-CA 3.47Å; A237-R239 PolarHBondContact O-N 3.37Å | ||
| 238 | V | 91.8 | Very high | 88 | Confident | 26 Ų | 26 | 82 Ų | 82 | 16% | 0.158 | 43% | 0.427 | C | S | . | . | trans | -75.3 | 118.8 | 172.9 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | G213 R214 V218 E236 I241 | G213-V238 WeakPolarHBondContact O-CB 3.38Å; R214-V238 WeakPolarHBondContact CA-O 3.28Å; R214-V238 PolarHBondContact O-N 2.74Å; V218-V238 HydrophobicContact CG2-CG2 3.84Å; E236-V238 PolarHBondContact O-N 2.87Å; V238-I241 HydrophobicContact CG1-CD1 4.18Å; V238-I241 HydrophobicContact CG1-CG1 3.81Å | ||
| 239 | R | 88.5 | Confident | 87.7 | Confident | 136 Ų | 136 | 79.6 Ų | 79.6 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | trans | -90.9 | -40 | 179.5 | -63.9 | -57.9 | -172.3 | 122.2 | 6.2 | 112.6 | R199 A237 | R199-R239 PolarHBondContact NH1-O 2.99Å; A237-R239 PolarHBondContact O-N 3.37Å | ||
| 240 | D | 86.5 | Confident | 87.2 | Confident | 90 Ų | 90 | 79.7 Ų | 79.7 | 48% | 0.481 | 42% | 0.416 | S | S | . | . | trans | -155.4 | 157.8 | -178.2 | -148.2 | 32.6 | 0 | 0 | 0 | 110.5 | R199 | R199-D240 WeakPolarHBondContact CD-OD1 3.24Å; R199-D240 IonicContact CZ-OD1 3.9Å; R199-D240 IonicContact NE-OD1 3.58Å; R199-D240 IonicContact NH1-OD1 2.96Å; R199-D240 PolarHBondContact NH1-OD1 2.96Å | ||
| 241 | I | 87.4 | Confident | 86.9 | Confident | 26 Ų | 26 | 82.1 Ų | 82.1 | 13% | 0.133 | 43% | 0.429 | C | S | . | . | trans | -131.1 | 128.5 | 174 | -68.7 | -170.4 | 0 | 0 | 0 | 109.1 | N201 A210 L211 V218 V238 | N201-I241 HydrophobicContact CB-CG2 4.33Å; N201-I241 WeakPolarHBondContact CB-O 3.35Å; N201-I241 PolarHBondContact ND2-O 2.99Å; N201-I241 VanDerWaalsContact ND2-O 3.1Å; A210-I241 HydrophobicContact CB-CG2 3.7Å; L211-I241 WeakPolarHBondContact O-CD1 3.45Å; V218-I241 HydrophobicContact CB-CD1 4.47Å; V218-I241 HydrophobicContact CG1-CD1 3.85Å; V218-I241 HydrophobicContact CG2-CD1 4.1Å; V238-I241 HydrophobicContact CG1-CD1 4.18Å; V238-I241 HydrophobicContact CG1-CG1 3.81Å | ||
| 242 | H | 84.1 | Confident | 86.5 | Confident | 97 Ų | 97 | 76.6 Ų | 76.6 | 45% | 0.449 | 40% | 0.403 | S | S | . | . | trans | -148.5 | 143.2 | 178.6 | -162.1 | -87.8 | 0 | 0 | 0 | 111.1 | N201 L244 | N201-H242 WeakPolarHBondContact ND2-CA 2.95Å; N201-H242 PolarHBondContact ND2-CD2 3.13Å; H242-L244 PolarHBondContact ND1-N 3.4Å; H242-L244 PolarHBondContact ND1-O 3.13Å | ||
| 243 | F | 75.8 | Confident | 86.4 | Confident | 103 Ų | 103 | 76.1 Ų | 76.1 | 45% | 0.452 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -78.6 | -14.8 | -178.6 | -78 | -73.6 | 0 | 0 | 0 | 114.4 | N201 A210 | N201-F243 HydrophobicContact CB-CD2 4.3Å; N201-F243 HydrophobicContact CB-CE2 4.38Å; N201-F243 WeakPolarHBondContact O-CE2 3.45Å; N201-F243 WeakPolarHBondContact OD1-CD2 3.42Å; A210-F243 HydrophobicContact CB-CE2 3.93Å; A210-F243 HydrophobicContact CB-CZ 3.72Å |
| 244 | L | 67.8 | Low | 86.3 | Confident | 72 Ų | 72 | 72.5 Ų | 72.5 | 38% | 0.377 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -135.6 | 155.3 | -175.8 | -63.2 | 169.6 | 0 | 0 | 0 | 111.9 | R204 H242 | R204-L244 VanDerWaalsContact NE-CD1 3.32Å; H242-L244 PolarHBondContact ND1-N 3.4Å; H242-L244 PolarHBondContact ND1-O 3.13Å |
| 245 | L | 72.5 | Confident | 86.3 | Confident | 73 Ų | 73 | 70.7 Ų | 70.7 | 38% | 0.382 | 37% | 0.368 | S | S | . | . | trans | -118.8 | 84.2 | -156.9 | -139.8 | 142.3 | 0 | 0 | 0 | 115.2 | T247 L257 V259 | L245-T247 HydrophobicContact CD2-CG2 3.42Å; L245-T247 VanDerWaalsContact CD2-CG2 3.42Å; L245-T247 HydrophobicContact CG-CG2 3.82Å; L245-L257 HydrophobicContact CB-CB 4.23Å; L245-L257 HydrophobicContact CB-CD2 4.46Å; L245-L257 HydrophobicContact CD1-CD2 3.9Å; L245-L257 HydrophobicContact CD2-CB 3.33Å; L245-L257 HydrophobicContact CD2-CD2 3.69Å; L245-L257 HydrophobicContact CD2-CG 4.12Å; L245-L257 HydrophobicContact CG-CB 4.29Å; L245-L257 HydrophobicContact CG-CD2 4.21Å; L245-L257 PolarHBondContact O-N 3.47Å; L245-V259 HydrophobicContact CB-CG2 3.77Å | ||
| 246 | A | 83.3 | Confident | 86.4 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 18% | 0.182 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.7 | 141.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | Y256 I287 | A246-Y256 HydrophobicContact CB-CD1 4.29Å; A246-Y256 HydrophobicContact CB-CE1 4.33Å; A246-I287 HydrophobicContact CB-CD1 4.06Å; A246-I287 HydrophobicContact CB-CG1 4.23Å |
| 247 | T | 88.6 | Confident | 86.4 | Confident | 56 Ų | 56 | 59.5 Ų | 59.5 | 34% | 0.344 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.5 | -177.8 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | L245 T255 | L245-T247 HydrophobicContact CD2-CG2 3.42Å; L245-T247 VanDerWaalsContact CD2-CG2 3.42Å; L245-T247 HydrophobicContact CG-CG2 3.82Å; T247-T255 PolarHBondContact N-O 3.39Å; T247-T255 PolarHBondContact O-N 2.82Å; T247-T255 PolarHBondContact OG1-OG1 3.11Å |
| 248 | T | 89 | Confident | 86.4 | Confident | 45 Ų | 45 | 58.1 Ų | 58.1 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.7 | 172.6 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | L254 L275 M278 L289 | T248-L254 HydrophobicContact CG2-CD1 3.9Å; T248-L275 HydrophobicContact CG2-CB 4.21Å; T248-L275 HydrophobicContact CG2-CD1 4.11Å; T248-M278 HydrophobicContact CG2-CB 4.46Å; T248-M278 HydrophobicContact CG2-CG 4.49Å; T248-M278 HydrophobicContact CG2-SD 3.79Å; T248-L289 HydrophobicContact CG2-CD2 3.56Å |
| 249 | S | 87.1 | Confident | 86.3 | Confident | 33 Ų | 33 | 61.3 Ų | 61.3 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | trans | -95.5 | 154.4 | 172.5 | 62.7 | 0 | 0 | 0 | 0 | 110.8 | T251 G252 F253 | S249-T251 WeakPolarHBondContact CB-OG1 3.38Å; S249-T251 PolarHBondContact O-N 3.13Å; S249-T251 PolarHBondContact OG-OG1 2.88Å; S249-G252 PolarHBondContact O-N 2.94Å; S249-G252 VanDerWaalsContact O-N 3.13Å; S249-G252 PolarHBondContact OG-N 3.23Å; S249-F253 PolarHBondContact N-O 2.92Å; S249-F253 WeakPolarHBondContact OG-CA 3.31Å; S249-F253 VanDerWaalsContact OG-CB 3.3Å; S249-F253 WeakPolarHBondContact OG-CB 3.48Å; S249-F253 PolarHBondContact OG-N 2.83Å; S249-F253 PolarHBondContact OG-O 2.88Å | ||
| 250 | E | 84.6 | Confident | 86.4 | Confident | 110 Ų | 110 | 58 Ų | 58 | 51% | 0.514 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.4 | 171.4 | -176.2 | 152 | -172.9 | 0 | 0 | 112 | G252 R274 | E250-G252 PolarHBondContact O-N 3.03Å; E250-R274 HydrophobicContact CG-CG 4.15Å; E250-R274 IonicContact OE1-CZ 2.77Å; E250-R274 IonicContact OE1-NE 3.01Å; E250-R274 PolarHBondContact OE1-NE 3.27Å; E250-R274 IonicContact OE1-NH1 3.77Å; E250-R274 PolarHBondContact OE1-NH1 3.13Å; E250-R274 IonicContact OE1-NH2 2.97Å; E250-R274 PolarHBondContact OE1-NH2 3.26Å; E250-R274 IonicContact OE2-CZ 3.67Å; E250-R274 IonicContact OE2-NH2 2.68Å; E250-R274 PolarHBondContact OE2-NH2 3.3Å |
| 251 | T | 86.1 | Confident | 86.5 | Confident | 106 Ų | 106 | 57.6 Ų | 57.6 | 65% | 0.65 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -1.5 | 175.6 | 46.4 | 0 | 0 | 0 | 0 | 114.6 | S249 | S249-T251 WeakPolarHBondContact CB-OG1 3.38Å; S249-T251 PolarHBondContact O-N 3.13Å; S249-T251 PolarHBondContact OG-OG1 2.88Å |
| 252 | G | 88.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 87 | 14.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S249 E250 V270 G273 | S249-G252 PolarHBondContact O-N 2.94Å; S249-G252 VanDerWaalsContact O-N 3.13Å; S249-G252 PolarHBondContact OG-N 3.23Å; E250-G252 PolarHBondContact O-N 3.03Å; G252-V270 WeakPolarHBondContact O-CB 3.35Å; G252-V270 PolarHBondContact O-N 2.95Å; G252-V270 VanDerWaalsContact O-N 3.07Å; G252-G273 VanDerWaalsContact CA-O 3.24Å; G252-G273 WeakPolarHBondContact CA-O 3.4Å |
| 253 | F | 92 | Very high | 86.9 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 36% | 0.36 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 136 | 169.8 | -65.2 | -94.8 | 0 | 0 | 0 | 111.1 | S249 T255 L268 N269 | S249-F253 PolarHBondContact N-O 2.92Å; S249-F253 WeakPolarHBondContact OG-CA 3.31Å; S249-F253 VanDerWaalsContact OG-CB 3.3Å; S249-F253 WeakPolarHBondContact OG-CB 3.48Å; S249-F253 PolarHBondContact OG-N 2.83Å; S249-F253 PolarHBondContact OG-O 2.88Å; F253-T255 HydrophobicContact CB-CG2 4.46Å; F253-L268 CarbonylContact C-O 3.37Å; F253-L268 VanDerWaalsContact CA-O 3.3Å; F253-L268 WeakPolarHBondContact CA-O 3.49Å; F253-N269 HydrophobicContact CD1-CB 4.08Å; F253-N269 HydrophobicContact CE1-CB 3.82Å; F253-N269 HydrophobicContact CZ-CB 4.5Å |
| 254 | L | 93.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120 | 165.4 | 174.8 | 66 | 0 | 0 | 0 | 107.9 | T248 Y256 L268 V270 I287 L289 W299 | T248-L254 HydrophobicContact CG2-CD1 3.9Å; L254-Y256 HydrophobicContact CD2-CE2 3.57Å; L254-Y256 HydrophobicContact CG-CD2 4.37Å; L254-Y256 HydrophobicContact CG-CE2 3.78Å; L254-L268 HydrophobicContact CB-CB 4.47Å; L254-L268 PolarHBondContact N-O 2.82Å; L254-L268 PolarHBondContact O-N 2.91Å; L254-V270 HydrophobicContact CB-CG2 4Å; L254-I287 HydrophobicContact CD1-CG2 4.31Å; L254-L289 HydrophobicContact CB-CD1 4.26Å; L254-L289 HydrophobicContact CD1-CD1 4.49Å; L254-L289 HydrophobicContact CD2-CD1 4.06Å; L254-W299 HydrophobicContact CD2-CB 3.54Å; L254-W299 HydrophobicContact CD2-CD2 4.37Å; L254-W299 HydrophobicContact CD2-CG 3.81Å |
| 255 | T | 92.7 | Very high | 88.9 | Confident | 34 Ų | 34 | 61.5 Ų | 61.5 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.9 | 178.6 | 76.4 | 0 | 0 | 0 | 0 | 110.9 | T247 F253 T266 A267 | T247-T255 PolarHBondContact N-O 3.39Å; T247-T255 PolarHBondContact O-N 2.82Å; T247-T255 PolarHBondContact OG1-OG1 3.11Å; F253-T255 HydrophobicContact CB-CG2 4.46Å; T255-T266 WeakPolarHBondContact CA-O 3.29Å; T255-A267 HydrophobicContact CG2-CB 4.03Å |
| 256 | Y | 92.8 | Very high | 89.7 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 9% | 0.086 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 117.7 | 173.5 | -69.7 | -91.5 | 0 | 0 | 0 | 108.1 | A246 L254 V265 T266 L268 I287 W299 P301 | A246-Y256 HydrophobicContact CB-CD1 4.29Å; A246-Y256 HydrophobicContact CB-CE1 4.33Å; L254-Y256 HydrophobicContact CD2-CE2 3.57Å; L254-Y256 HydrophobicContact CG-CD2 4.37Å; L254-Y256 HydrophobicContact CG-CE2 3.78Å; Y256-V265 PolarHBondContact O-N 3.07Å; Y256-T266 WeakPolarHBondContact CD2-OG1 3.25Å; Y256-T266 PolarHBondContact N-O 3.36Å; Y256-L268 HydrophobicContact CE2-CD1 4.04Å; Y256-I287 HydrophobicContact CE1-CG1 3.84Å; Y256-I287 WeakPolarHBondContact OH-CG1 3.26Å; Y256-W299 PolarHBondContact OH-O 3.24Å; Y256-W299 VanDerWaalsContact OH-O 3.13Å; Y256-P301 HydrophobicContact CD1-CB 4.19Å; Y256-P301 HydrophobicContact CD1-CG 4.33Å; Y256-P301 HydrophobicContact CD2-CB 3.86Å; Y256-P301 HydrophobicContact CE1-CB 4.36Å; Y256-P301 HydrophobicContact CE1-CG 4.28Å; Y256-P301 HydrophobicContact CE2-CB 4.04Å; Y256-P301 HydrophobicContact CG-CB 3.93Å |
| 257 | L | 91.9 | Very high | 90.2 | Very high | 54 Ų | 54 | 61.7 Ų | 61.7 | 28% | 0.283 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.3 | 175.7 | -174 | 77.5 | 0 | 0 | 0 | 109.5 | L245 V259 I264 | L245-L257 HydrophobicContact CB-CB 4.23Å; L245-L257 HydrophobicContact CB-CD2 4.46Å; L245-L257 HydrophobicContact CD1-CD2 3.9Å; L245-L257 HydrophobicContact CD2-CB 3.33Å; L245-L257 HydrophobicContact CD2-CD2 3.69Å; L245-L257 HydrophobicContact CD2-CG 4.12Å; L245-L257 HydrophobicContact CG-CB 4.29Å; L245-L257 HydrophobicContact CG-CD2 4.21Å; L245-L257 PolarHBondContact O-N 3.47Å; L257-V259 PolarHBondContact O-N 3.21Å; L257-I264 HydrophobicContact CD1-CG1 3.71Å |
| 258 | D | 91.6 | Very high | 90.4 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 17% | 0.171 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 107.4 | 166.1 | -170.4 | -20.7 | 0 | 0 | 0 | 109.8 | S260 V261 G262 K263 V265 K463 | D258-S260 VanDerWaalsContact C-N 3.34Å; D258-S260 PolarHBondContact OD1-N 3.22Å; D258-S260 PolarHBondContact OD1-OG 3Å; D258-V261 HydrophobicContact CB-CB 4.43Å; D258-V261 PolarHBondContact OD1-N 2.8Å; D258-V261 WeakPolarHBondContact OD2-CG2 3.49Å; D258-G262 WeakPolarHBondContact O-CA 3.48Å; D258-G262 PolarHBondContact O-N 3.4Å; D258-K263 WeakPolarHBondContact CB-O 3.09Å; D258-K263 PolarHBondContact N-O 3.38Å; D258-K263 PolarHBondContact O-N 3.32Å; D258-V265 HydrophobicContact CB-CG2 3.77Å; D258-K463 IonicContact OD1-NZ 2.63Å; D258-K463 PolarHBondContact OD1-NZ 3.46Å; D258-K463 IonicContact OD2-NZ 3.6Å; D258-K463 PolarHBondContact OD2-NZ 2.92Å |
| 259 | V | 89.3 | Confident | 90.6 | Very high | 94 Ų | 94 | 60.8 Ų | 60.8 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -30.5 | -179.5 | -178.5 | 0 | 0 | 0 | 0 | 112.3 | L245 L257 | L245-V259 HydrophobicContact CB-CG2 3.77Å; L257-V259 PolarHBondContact O-N 3.21Å |
| 260 | S | 89 | Confident | 90.7 | Very high | 65 Ų | 65 | 59.9 Ų | 59.9 | 46% | 0.455 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -33.1 | -177.5 | 72.7 | 0 | 0 | 0 | 0 | 112 | D258 K463 | D258-S260 VanDerWaalsContact C-N 3.34Å; D258-S260 PolarHBondContact OD1-N 3.22Å; D258-S260 PolarHBondContact OD1-OG 3Å; S260-K463 PolarHBondContact OG-NZ 2.94Å |
| 261 | V | 89.9 | Confident | 90.7 | Very high | 83 Ų | 83 | 65.3 Ų | 65.3 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -21.7 | 179.7 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | D258 K263 | D258-V261 HydrophobicContact CB-CB 4.43Å; D258-V261 PolarHBondContact OD1-N 2.8Å; D258-V261 WeakPolarHBondContact OD2-CG2 3.49Å; V261-K263 HydrophobicContact CG1-CB 4.32Å; V261-K263 HydrophobicContact CG1-CD 3.73Å; V261-K263 HydrophobicContact CG1-CG 3.9Å |
| 262 | G | 89 | Confident | 90.5 | Very high | 57 Ų | 57 | 61.2 Ų | 61.2 | 59% | 0.588 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 25.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D258 | D258-G262 WeakPolarHBondContact O-CA 3.48Å; D258-G262 PolarHBondContact O-N 3.4Å |
| 263 | K | 91.1 | Very high | 90.4 | Very high | 141 Ų | 141 | 63.3 Ų | 63.3 | 61% | 0.613 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 141 | -176.6 | -72 | -178.5 | -175.1 | 179.1 | 0 | 111.6 | D258 V261 V265 | D258-K263 WeakPolarHBondContact CB-O 3.09Å; D258-K263 PolarHBondContact N-O 3.38Å; D258-K263 PolarHBondContact O-N 3.32Å; V261-K263 HydrophobicContact CG1-CB 4.32Å; V261-K263 HydrophobicContact CG1-CD 3.73Å; V261-K263 HydrophobicContact CG1-CG 3.9Å; K263-V265 PolarHBondContact O-N 3.15Å |
| 264 | I | 92 | Very high | 90.1 | Very high | 113 Ų | 113 | 65.5 Ų | 65.5 | 58% | 0.579 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 117.9 | 170.9 | -58.8 | 170.4 | 0 | 0 | 0 | 107.2 | L257 | L257-I264 HydrophobicContact CD1-CG1 3.71Å |
| 265 | V | 91.9 | Very high | 89.8 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | -53.7 | 179.7 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | Y256 D258 K263 A466 | Y256-V265 PolarHBondContact O-N 3.07Å; D258-V265 HydrophobicContact CB-CG2 3.77Å; K263-V265 PolarHBondContact O-N 3.15Å; V265-A466 HydrophobicContact CG1-CB 3.86Å |
| 266 | T | 91.1 | Very high | 89.5 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 23% | 0.227 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 147 | 177.9 | 52.7 | 0 | 0 | 0 | 0 | 111.5 | T255 Y256 P301 | T255-T266 WeakPolarHBondContact CA-O 3.29Å; Y256-T266 WeakPolarHBondContact CD2-OG1 3.25Å; Y256-T266 PolarHBondContact N-O 3.36Å; T266-P301 WeakPolarHBondContact CG2-O 3.45Å |
| 267 | A | 93.3 | Very high | 89.4 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 52% | 0.521 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 109.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | T255 | T255-A267 HydrophobicContact CG2-CB 4.03Å |
| 268 | L | 93.3 | Very high | 89.4 | Confident | 8 Ų | 8 | 68 Ų | 68 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 130.3 | -175.6 | -59.1 | -176.9 | 0 | 0 | 0 | 110 | F253 L254 Y256 W299 K304 | F253-L268 CarbonylContact C-O 3.37Å; F253-L268 VanDerWaalsContact CA-O 3.3Å; F253-L268 WeakPolarHBondContact CA-O 3.49Å; L254-L268 HydrophobicContact CB-CB 4.47Å; L254-L268 PolarHBondContact N-O 2.82Å; L254-L268 PolarHBondContact O-N 2.91Å; Y256-L268 HydrophobicContact CE2-CD1 4.04Å; L268-W299 HydrophobicContact CB-CE3 4.27Å; L268-W299 HydrophobicContact CB-CZ3 4.11Å; L268-W299 HydrophobicContact CD1-CE3 3.62Å; L268-W299 HydrophobicContact CD1-CZ3 4.06Å; L268-K304 HydrophobicContact CD2-CB 4.47Å; L268-K304 HydrophobicContact CD2-CG 4.22Å |
| 269 | N | 91.9 | Very high | 89.5 | Confident | 74 Ų | 74 | 67.2 Ų | 67.2 | 40% | 0.396 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 112.6 | 173.6 | -175.7 | -9.7 | 0 | 0 | 0 | 109.7 | F253 R271 | F253-N269 HydrophobicContact CD1-CB 4.08Å; F253-N269 HydrophobicContact CE1-CB 3.82Å; F253-N269 HydrophobicContact CZ-CB 4.5Å; N269-R271 VanDerWaalsContact C-N 3.32Å; N269-R271 WeakPolarHBondContact OD1-CG 3.39Å; N269-R271 PolarHBondContact OD1-N 2.97Å |
| 270 | V | 89.3 | Confident | 89.7 | Confident | 14 Ų | 14 | 66.2 Ų | 66.2 | 9% | 0.085 | 37% | 0.373 | C | S | . | . | trans | -80.7 | -16.7 | -174.3 | 176.4 | 0 | 0 | 0 | 0 | 111.9 | G252 L254 A272 L275 L289 H291 W299 | G252-V270 WeakPolarHBondContact O-CB 3.35Å; G252-V270 PolarHBondContact O-N 2.95Å; G252-V270 VanDerWaalsContact O-N 3.07Å; L254-V270 HydrophobicContact CB-CG2 4Å; V270-A272 HydrophobicContact CG1-CB 4.01Å; V270-A272 PolarHBondContact O-N 3.21Å; V270-L275 HydrophobicContact CB-CD1 4.25Å; V270-L275 HydrophobicContact CG1-CD2 4.05Å; V270-L275 HydrophobicContact CG2-CD1 4.07Å; V270-L289 HydrophobicContact CG1-CD1 4.18Å; V270-L289 HydrophobicContact CG2-CD1 3.67Å; V270-H291 WeakPolarHBondContact CG1-CE1 3.43Å; V270-W299 HydrophobicContact CB-CH2 4.44Å; V270-W299 HydrophobicContact CB-CZ2 3.83Å; V270-W299 HydrophobicContact CG1-CZ2 3.69Å; V270-W299 HydrophobicContact CG2-CD2 4.37Å; V270-W299 HydrophobicContact CG2-CH2 4.19Å; V270-W299 HydrophobicContact CG2-CZ2 3.66Å | ||
| 271 | R | 86 | Confident | 89.9 | Confident | 224 Ų | 224 | 63.2 Ų | 63.2 | 85% | 0.845 | 35% | 0.352 | S | S | * | . | trans | 53.4 | 32.6 | 178 | -59 | -179 | 176.5 | 158.7 | -1.2 | 114.3 | N269 | N269-R271 VanDerWaalsContact C-N 3.32Å; N269-R271 WeakPolarHBondContact OD1-CG 3.39Å; N269-R271 PolarHBondContact OD1-N 2.97Å | ||
| 272 | A | 81.6 | Confident | 89.9 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 17% | 0.165 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -126.7 | 18.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V270 H291 | V270-A272 HydrophobicContact CG1-CB 4.01Å; V270-A272 PolarHBondContact O-N 3.21Å; A272-H291 HydrophobicContact CB-CB 4.32Å; A272-H291 VanDerWaalsContact CB-CE1 3.45Å; A272-H291 WeakPolarHBondContact CB-CE1 3.45Å; A272-H291 WeakPolarHBondContact CB-ND1 3.27Å |
| 273 | G | 84.6 | Confident | 90 | Very high | 45 Ų | 45 | 65.4 Ų | 65.4 | 46% | 0.464 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 75.3 | -145.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | G252 L275 | G252-G273 VanDerWaalsContact CA-O 3.24Å; G252-G273 WeakPolarHBondContact CA-O 3.4Å; G273-L275 PolarHBondContact O-N 2.92Å |
| 274 | R | 85.7 | Confident | 90 | Very high | 127 Ų | 127 | 59.3 Ų | 59.3 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | trans | -68.7 | 125.5 | -175.1 | -178.8 | 176.6 | -167.5 | 161.5 | 23.3 | 111.6 | E250 | E250-R274 HydrophobicContact CG-CG 4.15Å; E250-R274 IonicContact OE1-CZ 2.77Å; E250-R274 IonicContact OE1-NE 3.01Å; E250-R274 PolarHBondContact OE1-NE 3.27Å; E250-R274 IonicContact OE1-NH1 3.77Å; E250-R274 PolarHBondContact OE1-NH1 3.13Å; E250-R274 IonicContact OE1-NH2 2.97Å; E250-R274 PolarHBondContact OE1-NH2 3.26Å; E250-R274 IonicContact OE2-CZ 3.67Å; E250-R274 IonicContact OE2-NH2 2.68Å; E250-R274 PolarHBondContact OE2-NH2 3.3Å | ||
| 275 | L | 88.6 | Confident | 90 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | trans | -99.2 | 100.6 | 177.8 | -59.6 | 172.7 | 0 | 0 | 0 | 110.3 | T248 V270 G273 L289 | T248-L275 HydrophobicContact CG2-CB 4.21Å; T248-L275 HydrophobicContact CG2-CD1 4.11Å; V270-L275 HydrophobicContact CB-CD1 4.25Å; V270-L275 HydrophobicContact CG1-CD2 4.05Å; V270-L275 HydrophobicContact CG2-CD1 4.07Å; G273-L275 PolarHBondContact O-N 2.92Å; L275-L289 HydrophobicContact CD1-CD1 4Å; L275-L289 HydrophobicContact CD2-CD1 4.31Å | ||
| 276 | S | 85.5 | Confident | 90.1 | Very high | 86 Ų | 86 | 52.3 Ų | 52.3 | 60% | 0.601 | 28% | 0.284 | S | S | * | . | trans | -101.1 | -16.9 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 277 | V | 91.3 | Very high | 90.2 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.3 | -172.6 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | G290 V317 R318 V320 | V277-G290 PolarHBondContact O-N 3.1Å; V277-G290 VanDerWaalsContact O-N 3.13Å; V277-V317 WeakPolarHBondContact CG2-O 3.28Å; V277-R318 WeakPolarHBondContact CG2-O 3.13Å; V277-V320 HydrophobicContact CG1-CB 4.02Å; V277-V320 HydrophobicContact CG1-CG2 3.81Å |
| 278 | M | 92.4 | Very high | 90.3 | Very high | 59 Ų | 59 | 47.9 Ų | 47.9 | 29% | 0.291 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 140.6 | 178.4 | -176.8 | 177 | 72.8 | 0 | 0 | 109.5 | T248 I287 H288 L289 | T248-M278 HydrophobicContact CG2-CB 4.46Å; T248-M278 HydrophobicContact CG2-CG 4.49Å; T248-M278 HydrophobicContact CG2-SD 3.79Å; M278-I287 HydrophobicContact CG-CG2 3.59Å; M278-I287 HydrophobicContact SD-CG2 3.91Å; M278-H288 WeakPolarHBondContact CA-O 3.37Å; M278-L289 HydrophobicContact CB-CD2 3.94Å; M278-L289 HydrophobicContact CG-CD2 3.81Å; M278-L289 HydrophobicContact SD-CD2 4.42Å |
| 279 | A | 93.1 | Very high | 90.4 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 12% | 0.124 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 139.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110 | H288 V320 V322 | A279-H288 HydrophobicContact CB-CB 4.5Å; A279-H288 PolarHBondContact N-O 2.83Å; A279-H288 PolarHBondContact O-N 3.29Å; A279-V320 HydrophobicContact CB-CB 4.26Å; A279-V320 HydrophobicContact CB-CG1 4.01Å; A279-V322 HydrophobicContact CB-CG2 4.33Å |
| 280 | Q | 92.8 | Very high | 90.5 | Very high | 73 Ų | 73 | 44 Ų | 44 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.4 | 170.8 | -172.7 | -162.5 | -11.6 | 0 | 0 | 109 | P282 I287 | Q280-P282 WeakPolarHBondContact O-CD 3.28Å; Q280-I287 HydrophobicContact CB-CD1 3.98Å; Q280-I287 HydrophobicContact CG-CD1 3.94Å |
| 281 | N | 93.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -81.2 | 117.6 | 163.3 | -179 | -14.3 | 0 | 0 | 0 | 109.8 | Y283 N284 A285 V286 V322 G326 | N281-Y283 VanDerWaalsContact C-N 3.27Å; N281-Y283 PolarHBondContact O-N 3.39Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.06Å; N281-Y283 PolarHBondContact OD1-N 2.92Å; N281-N284 WeakPolarHBondContact CB-OD1 3.38Å; N281-N284 PolarHBondContact ND2-ND2 2.9Å; N281-N284 PolarHBondContact ND2-OD1 3.45Å; N281-A285 VanDerWaalsContact O-CA 3.26Å; N281-A285 WeakPolarHBondContact O-CA 3.21Å; N281-A285 PolarHBondContact O-N 2.87Å; N281-V286 PolarHBondContact N-O 2.93Å; N281-V322 HydrophobicContact CB-CB 4.5Å; N281-V322 HydrophobicContact CB-CG1 3.86Å; N281-G326 WeakPolarHBondContact OD1-CA 3.42Å | ||
| 282 | P | 90.6 | Very high | 91.1 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 50% | 0.5 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -27.9 | -178.8 | -24.1 | 36.8 | 0 | 0 | 0 | 114.1 | Q280 | Q280-P282 WeakPolarHBondContact O-CD 3.28Š|
| 283 | Y | 91.2 | Very high | 91.6 | Very high | 109 Ų | 109 | 41.1 Ų | 41.1 | 43% | 0.427 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -41.4 | -175.1 | 176.8 | -112.8 | 0 | 0 | 0 | 113.5 | N281 T325 P473 | N281-Y283 VanDerWaalsContact C-N 3.27Å; N281-Y283 PolarHBondContact O-N 3.39Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.06Å; N281-Y283 PolarHBondContact OD1-N 2.92Å; Y283-T325 WeakPolarHBondContact CB-O 3.43Å; Y283-P473 HydrophobicContact CD1-CG 4.27Å; Y283-P473 HydrophobicContact CE1-CG 3.94Å |
| 284 | N | 90.8 | Very high | 91.9 | Very high | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.07 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -0.7 | -173.4 | 69.5 | 6.3 | 0 | 0 | 0 | 114.2 | N281 V286 L471 P473 | N281-N284 WeakPolarHBondContact CB-OD1 3.38Å; N281-N284 PolarHBondContact ND2-ND2 2.9Å; N281-N284 PolarHBondContact ND2-OD1 3.45Å; N284-V286 HydrophobicContact CB-CG2 4.34Å; N284-V286 PolarHBondContact O-N 2.82Å; N284-V286 VanDerWaalsContact O-N 3.13Å; N284-V286 VanDerWaalsContact OD1-CB 3.29Å; N284-V286 WeakPolarHBondContact OD1-CB 3.45Å; N284-V286 WeakPolarHBondContact OD1-CG2 3.49Å; N284-V286 PolarHBondContact OD1-N 3.35Å; N284-L471 PolarHBondContact ND2-O 3.05Å; N284-P473 HydrophobicContact CB-CG 3.72Å |
| 285 | A | 91.9 | Very high | 92.4 | Very high | 34 Ų | 34 | 34.7 Ų | 34.7 | 28% | 0.281 | 20% | 0.2 | S | C | . | . | trans | 60.2 | 12.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | N281 I469 | N281-A285 VanDerWaalsContact O-CA 3.26Å; N281-A285 WeakPolarHBondContact O-CA 3.21Å; N281-A285 PolarHBondContact O-N 2.87Å; A285-I469 HydrophobicContact CB-CD1 4.31Å; A285-I469 HydrophobicContact CB-CG1 4.41Å; A285-I469 HydrophobicContact CB-CG2 4.46Å | ||
| 286 | V | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 141 | 174.4 | 175.8 | 0 | 0 | 0 | 0 | 109.8 | N281 N284 L298 W299 L307 I469 | N281-V286 PolarHBondContact N-O 2.93Å; N284-V286 HydrophobicContact CB-CG2 4.34Å; N284-V286 PolarHBondContact O-N 2.82Å; N284-V286 VanDerWaalsContact O-N 3.13Å; N284-V286 VanDerWaalsContact OD1-CB 3.29Å; N284-V286 WeakPolarHBondContact OD1-CB 3.45Å; N284-V286 WeakPolarHBondContact OD1-CG2 3.49Å; N284-V286 PolarHBondContact OD1-N 3.35Å; V286-L298 HydrophobicContact CG1-CB 3.86Å; V286-L298 HydrophobicContact CG1-CD2 3.79Å; V286-L298 HydrophobicContact CG1-CG 4.38Å; V286-W299 WeakPolarHBondContact CG1-O 3.41Å; V286-L307 HydrophobicContact CG1-CD1 4.17Å; V286-L307 HydrophobicContact CG2-CD1 4.05Å; V286-I469 HydrophobicContact CG2-CG2 4.14Å |
| 287 | I | 94.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 126.5 | 179.2 | -57 | -60.2 | 0 | 0 | 0 | 109.8 | A246 L254 Y256 M278 Q280 L289 W299 | A246-I287 HydrophobicContact CB-CD1 4.06Å; A246-I287 HydrophobicContact CB-CG1 4.23Å; L254-I287 HydrophobicContact CD1-CG2 4.31Å; Y256-I287 HydrophobicContact CE1-CG1 3.84Å; Y256-I287 WeakPolarHBondContact OH-CG1 3.26Å; M278-I287 HydrophobicContact CG-CG2 3.59Å; M278-I287 HydrophobicContact SD-CG2 3.91Å; Q280-I287 HydrophobicContact CB-CD1 3.98Å; Q280-I287 HydrophobicContact CG-CD1 3.94Å; I287-L289 HydrophobicContact CG2-CD2 3.94Å; I287-L289 HydrophobicContact CG2-CG 4.22Å; I287-W299 PolarHBondContact N-O 2.74Å; I287-W299 PolarHBondContact O-N 2.96Å |
| 288 | H | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.7 | 174.5 | -63.9 | -162.6 | 0 | 0 | 0 | 108.3 | M278 A279 V296 L298 V320 V322 M329 | M278-H288 WeakPolarHBondContact CA-O 3.37Å; A279-H288 HydrophobicContact CB-CB 4.5Å; A279-H288 PolarHBondContact N-O 2.83Å; A279-H288 PolarHBondContact O-N 3.29Å; H288-V296 HydrophobicContact CB-CG1 4.17Å; H288-L298 VanDerWaalsContact CD2-CD2 3.43Å; H288-L298 WeakPolarHBondContact CD2-CD2 3.44Å; H288-L298 WeakPolarHBondContact NE2-CD2 3.48Å; H288-V320 HydrophobicContact CB-CG1 4.09Å; H288-V322 VanDerWaalsContact CE1-CG2 3.43Å; H288-V322 WeakPolarHBondContact CE1-CG2 3.16Å; H288-V322 VanDerWaalsContact ND1-CG2 3.35Å; H288-V322 WeakPolarHBondContact ND1-CG2 3.37Å; H288-M329 PolarHBondContact ND1-SD 2.76Å |
| 289 | L | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 128.2 | 177 | -64.6 | -178.4 | 0 | 0 | 0 | 110.1 | T248 L254 V270 L275 M278 I287 V296 S297 W299 | T248-L289 HydrophobicContact CG2-CD2 3.56Å; L254-L289 HydrophobicContact CB-CD1 4.26Å; L254-L289 HydrophobicContact CD1-CD1 4.49Å; L254-L289 HydrophobicContact CD2-CD1 4.06Å; V270-L289 HydrophobicContact CG1-CD1 4.18Å; V270-L289 HydrophobicContact CG2-CD1 3.67Å; L275-L289 HydrophobicContact CD1-CD1 4Å; L275-L289 HydrophobicContact CD2-CD1 4.31Å; M278-L289 HydrophobicContact CB-CD2 3.94Å; M278-L289 HydrophobicContact CG-CD2 3.81Å; M278-L289 HydrophobicContact SD-CD2 4.42Å; I287-L289 HydrophobicContact CG2-CD2 3.94Å; I287-L289 HydrophobicContact CG2-CG 4.22Å; L289-V296 CarbonylContact O-C 3.59Å; L289-V296 VanDerWaalsContact O-CA 3.28Å; L289-V296 WeakPolarHBondContact O-CA 3.32Å; L289-S297 PolarHBondContact N-O 3.16Å; L289-S297 PolarHBondContact O-N 3.25Å; L289-W299 HydrophobicContact CD1-CG 4.35Å |
| 290 | G | 94.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 131.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V277 | V277-G290 PolarHBondContact O-N 3.1Å; V277-G290 VanDerWaalsContact O-N 3.13Å |
| 291 | H | 93.9 | Very high | 93.4 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | trans | -104.6 | 160.3 | -178.1 | -60.6 | -49.6 | 0 | 0 | 0 | 113 | V270 A272 N293 G294 T295 S297 V317 | V270-H291 WeakPolarHBondContact CG1-CE1 3.43Å; A272-H291 HydrophobicContact CB-CB 4.32Å; A272-H291 VanDerWaalsContact CB-CE1 3.45Å; A272-H291 WeakPolarHBondContact CB-CE1 3.45Å; A272-H291 WeakPolarHBondContact CB-ND1 3.27Å; H291-N293 PolarHBondContact O-N 2.84Å; H291-G294 PolarHBondContact O-N 3.3Å; H291-T295 WeakPolarHBondContact CB-O 3.36Å; H291-T295 PolarHBondContact CD2-O 2.97Å; H291-T295 PolarHBondContact CD2-OG1 3.32Å; H291-T295 PolarHBondContact N-O 2.91Å; H291-S297 WeakPolarHBondContact NE2-CB 3.18Å; H291-S297 PolarHBondContact NE2-OG 3.28Å; H291-V317 PolarHBondContact O-N 2.91Å | ||
| 292 | S | 92.9 | Very high | 93.3 | Very high | 74 Ų | 74 | 26.1 Ų | 26.1 | 52% | 0.517 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -21.5 | 170.6 | 55 | 0 | 0 | 0 | 0 | 113.4 | G294 G316 | S292-G294 PolarHBondContact O-N 3.28Å; S292-G316 WeakPolarHBondContact O-CA 3.45Å; S292-G316 PolarHBondContact O-N 2.85Å |
| 293 | N | 92.2 | Very high | 93.3 | Very high | 114 Ų | 114 | 25.5 Ų | 25.5 | 61% | 0.61 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | 5.7 | -178.2 | -59.6 | 3.8 | 0 | 0 | 0 | 112.7 | H291 T295 | H291-N293 PolarHBondContact O-N 2.84Å; N293-T295 PolarHBondContact O-N 3.11Å |
| 294 | G | 92.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 78.6 | 6.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | H291 S292 C312 H313 G315 | H291-G294 PolarHBondContact O-N 3.3Å; S292-G294 PolarHBondContact O-N 3.28Å; G294-C312 PolarHBondContact O-N 2.79Å; G294-H313 WeakPolarHBondContact CA-O 3.36Å; G294-H313 PolarHBondContact O-N 3.1Å; G294-G315 WeakPolarHBondContact CA-O 3.44Å; G294-G315 PolarHBondContact N-O 2.9Å |
| 295 | T | 94.6 | Very high | 93.4 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 23% | 0.227 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 145.2 | 175.3 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | H291 N293 I310 L311 | H291-T295 WeakPolarHBondContact CB-O 3.36Å; H291-T295 PolarHBondContact CD2-O 2.97Å; H291-T295 PolarHBondContact CD2-OG1 3.32Å; H291-T295 PolarHBondContact N-O 2.91Å; N293-T295 PolarHBondContact O-N 3.11Å; T295-I310 CarbonylContact C-O 3.6Å; T295-I310 WeakPolarHBondContact CA-O 3.17Å; T295-L311 HydrophobicContact CG2-CB 4.45Å; T295-L311 HydrophobicContact CG2-CD1 3.64Å |
| 296 | V | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.6 | 168.2 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | H288 L289 I310 C312 V317 V320 M329 T331 | H288-V296 HydrophobicContact CB-CG1 4.17Å; L289-V296 CarbonylContact O-C 3.59Å; L289-V296 VanDerWaalsContact O-CA 3.28Å; L289-V296 WeakPolarHBondContact O-CA 3.32Å; V296-I310 PolarHBondContact N-O 3.42Å; V296-I310 PolarHBondContact O-N 2.88Å; V296-C312 HydrophobicContact CG2-CB 4.41Å; V296-V317 HydrophobicContact CG2-CG1 4.22Å; V296-V317 HydrophobicContact CG2-CG2 4Å; V296-V320 HydrophobicContact CG1-CG2 4.5Å; V296-V320 HydrophobicContact CG2-CG2 3.94Å; V296-M329 HydrophobicContact CG1-CE 4.49Å; V296-M329 HydrophobicContact CG1-SD 4.03Å; V296-T331 HydrophobicContact CG2-CG2 4.07Å |
| 297 | S | 94.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137.7 | 177.1 | 59.6 | 0 | 0 | 0 | 0 | 111.3 | L289 H291 W299 A308 | L289-S297 PolarHBondContact N-O 3.16Å; L289-S297 PolarHBondContact O-N 3.25Å; H291-S297 WeakPolarHBondContact NE2-CB 3.18Å; H291-S297 PolarHBondContact NE2-OG 3.28Å; S297-W299 PolarHBondContact OG-NE1 2.79Å; S297-A308 WeakPolarHBondContact CA-O 3.41Å |
| 298 | L | 94.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.4 | 175.8 | -71.7 | 114.2 | 0 | 0 | 0 | 111.1 | V286 H288 P306 L307 A308 I310 L471 | V286-L298 HydrophobicContact CG1-CB 3.86Å; V286-L298 HydrophobicContact CG1-CD2 3.79Å; V286-L298 HydrophobicContact CG1-CG 4.38Å; H288-L298 VanDerWaalsContact CD2-CD2 3.43Å; H288-L298 WeakPolarHBondContact CD2-CD2 3.44Å; H288-L298 WeakPolarHBondContact NE2-CD2 3.48Å; L298-P306 CarbonylContact O-C 3.59Å; L298-P306 VanDerWaalsContact O-CA 3.27Å; L298-P306 WeakPolarHBondContact O-CA 3.37Å; L298-P306 WeakPolarHBondContact O-CB 3.37Å; L298-L307 HydrophobicContact CB-CB 4.3Å; L298-L307 PolarHBondContact O-N 3.44Å; L298-A308 HydrophobicContact CD1-CB 3.69Å; L298-A308 PolarHBondContact N-O 3.49Å; L298-I310 HydrophobicContact CD1-CD1 3.65Å; L298-I310 HydrophobicContact CD1-CG1 4.18Å; L298-L471 HydrophobicContact CD2-CD1 4Å |
| 299 | W | 94.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 2% | 0.019 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.5 | -174.1 | -69.1 | 90.6 | 0 | 0 | 0 | 112.4 | L254 Y256 L268 V270 V286 I287 L289 S297 K304 P306 | L254-W299 HydrophobicContact CD2-CB 3.54Å; L254-W299 HydrophobicContact CD2-CD2 4.37Å; L254-W299 HydrophobicContact CD2-CG 3.81Å; Y256-W299 PolarHBondContact OH-O 3.24Å; Y256-W299 VanDerWaalsContact OH-O 3.13Å; L268-W299 HydrophobicContact CB-CE3 4.27Å; L268-W299 HydrophobicContact CB-CZ3 4.11Å; L268-W299 HydrophobicContact CD1-CE3 3.62Å; L268-W299 HydrophobicContact CD1-CZ3 4.06Å; V270-W299 HydrophobicContact CB-CH2 4.44Å; V270-W299 HydrophobicContact CB-CZ2 3.83Å; V270-W299 HydrophobicContact CG1-CZ2 3.69Å; V270-W299 HydrophobicContact CG2-CD2 4.37Å; V270-W299 HydrophobicContact CG2-CH2 4.19Å; V270-W299 HydrophobicContact CG2-CZ2 3.66Å; V286-W299 WeakPolarHBondContact CG1-O 3.41Å; I287-W299 PolarHBondContact N-O 2.74Å; I287-W299 PolarHBondContact O-N 2.96Å; L289-W299 HydrophobicContact CD1-CG 4.35Å; S297-W299 PolarHBondContact OG-NE1 2.79Å; W299-K304 VanDerWaalsContact CZ3-O 3.3Å; W299-K304 WeakPolarHBondContact CZ3-O 3.24Å; W299-P306 HydrophobicContact CD2-CB 4.22Å; W299-P306 HydrophobicContact CH2-CB 4.22Å; W299-P306 HydrophobicContact CH2-CG 4.25Å; W299-P306 HydrophobicContact CZ2-CB 3.81Å; W299-P306 HydrophobicContact CZ2-CG 4.04Å |
| 300 | S | 93.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | trans | -116.3 | 145.3 | 166.4 | 162.5 | 0 | 0 | 0 | 0 | 108.7 | A302 V303 I469 | S300-A302 PolarHBondContact O-N 2.94Å; S300-A302 PolarHBondContact OG-N 3.17Å; S300-A302 VanDerWaalsContact OG-N 3.12Å; S300-V303 PolarHBondContact O-N 3.39Å; S300-V303 VanDerWaalsContact O-O 3.08Å; S300-I469 WeakPolarHBondContact CB-O 3.47Å; S300-I469 PolarHBondContact OG-O 2.89Å | ||
| 301 | P | 93.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 52.6 Ų | 52.6 | 5% | 0.052 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -19.2 | 174 | 27.1 | -34.4 | 0 | 0 | 0 | 113.3 | Y256 T266 A466 I469 | Y256-P301 HydrophobicContact CD1-CB 4.19Å; Y256-P301 HydrophobicContact CD1-CG 4.33Å; Y256-P301 HydrophobicContact CD2-CB 3.86Å; Y256-P301 HydrophobicContact CE1-CB 4.36Å; Y256-P301 HydrophobicContact CE1-CG 4.28Å; Y256-P301 HydrophobicContact CE2-CB 4.04Å; Y256-P301 HydrophobicContact CG-CB 3.93Å; T266-P301 WeakPolarHBondContact CG2-O 3.45Å; P301-A466 HydrophobicContact CB-CB 4.28Å; P301-A466 HydrophobicContact CG-CB 3.87Å; P301-A466 WeakPolarHBondContact CG-O 3.32Å; P301-I469 HydrophobicContact CG-CB 4.32Å; P301-I469 HydrophobicContact CG-CD1 3.82Å |
| 302 | A | 90.7 | Very high | 93.1 | Very high | 55 Ų | 55 | 52.3 Ų | 52.3 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -29.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | S300 | S300-A302 PolarHBondContact O-N 2.94Å; S300-A302 PolarHBondContact OG-N 3.17Å; S300-A302 VanDerWaalsContact OG-N 3.12Å |
| 303 | V | 91 | Very high | 93.2 | Very high | 64 Ų | 64 | 49 Ų | 49 | 39% | 0.388 | 26% | 0.256 | S | S | . | . | trans | -119.9 | 129.7 | -172.5 | -172.1 | 0 | 0 | 0 | 0 | 109.8 | S300 E305 L307 | S300-V303 PolarHBondContact O-N 3.39Å; S300-V303 VanDerWaalsContact O-O 3.08Å; V303-E305 VanDerWaalsContact C-N 3.26Å; V303-E305 HydrophobicContact CG1-CB 4.38Å; V303-E305 WeakPolarHBondContact CG1-O 3.43Å; V303-E305 PolarHBondContact O-N 2.87Å; V303-L307 HydrophobicContact CB-CD2 4.31Å; V303-L307 HydrophobicContact CG2-CD2 4.08Å | ||
| 304 | K | 91.1 | Very high | 93.2 | Very high | 182 Ų | 182 | 55.1 Ų | 55.1 | 79% | 0.791 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -72.5 | -19.4 | 179.4 | -70.3 | -174.5 | -178.4 | 178.4 | 0 | 113.9 | L268 W299 | L268-K304 HydrophobicContact CD2-CB 4.47Å; L268-K304 HydrophobicContact CD2-CG 4.22Å; W299-K304 VanDerWaalsContact CZ3-O 3.3Å; W299-K304 WeakPolarHBondContact CZ3-O 3.24Å |
| 305 | E | 92.3 | Very high | 93.2 | Very high | 148 Ų | 148 | 56.1 Ų | 56.1 | 69% | 0.692 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -100 | 151.5 | 175.1 | -64.8 | -170.9 | 168.1 | 0 | 0 | 109.9 | V303 L307 | V303-E305 VanDerWaalsContact C-N 3.26Å; V303-E305 HydrophobicContact CG1-CB 4.38Å; V303-E305 WeakPolarHBondContact CG1-O 3.43Å; V303-E305 PolarHBondContact O-N 2.87Å; E305-L307 PolarHBondContact O-N 3.41Å |
| 306 | P | 93.9 | Very high | 93.1 | Very high | 32 Ų | 32 | 55.2 Ų | 55.2 | 21% | 0.208 | 28% | 0.278 | C | S | . | . | trans | -65.4 | 136.2 | 177.4 | 25.9 | -31.4 | 0 | 0 | 0 | 110.3 | L298 W299 A308 K309 | L298-P306 CarbonylContact O-C 3.59Å; L298-P306 VanDerWaalsContact O-CA 3.27Å; L298-P306 WeakPolarHBondContact O-CA 3.37Å; L298-P306 WeakPolarHBondContact O-CB 3.37Å; W299-P306 HydrophobicContact CD2-CB 4.22Å; W299-P306 HydrophobicContact CH2-CB 4.22Å; W299-P306 HydrophobicContact CH2-CG 4.25Å; W299-P306 HydrophobicContact CZ2-CB 3.81Å; W299-P306 HydrophobicContact CZ2-CG 4.04Å; P306-A308 VanDerWaalsContact C-N 3.25Å; P306-A308 PolarHBondContact O-N 3.22Å; P306-K309 HydrophobicContact CB-CG 4.38Å; P306-K309 HydrophobicContact CG-CD 4.25Å; P306-K309 HydrophobicContact CG-CG 3.98Å | ||
| 307 | L | 92.1 | Very high | 93.2 | Very high | 61 Ų | 61 | 55.6 Ų | 55.6 | 32% | 0.319 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -60.1 | -37.9 | 179.2 | -64.9 | 178 | 0 | 0 | 0 | 112 | V286 L298 V303 E305 L471 | V286-L307 HydrophobicContact CG1-CD1 4.17Å; V286-L307 HydrophobicContact CG2-CD1 4.05Å; L298-L307 HydrophobicContact CB-CB 4.3Å; L298-L307 PolarHBondContact O-N 3.44Å; V303-L307 HydrophobicContact CB-CD2 4.31Å; V303-L307 HydrophobicContact CG2-CD2 4.08Å; E305-L307 PolarHBondContact O-N 3.41Å; L307-L471 HydrophobicContact CD1-CB 4.43Å |
| 308 | A | 92.2 | Very high | 93.1 | Very high | 18 Ų | 18 | 60 Ų | 60 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 151.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S297 L298 P306 F347 | S297-A308 WeakPolarHBondContact CA-O 3.41Å; L298-A308 HydrophobicContact CD1-CB 3.69Å; L298-A308 PolarHBondContact N-O 3.49Å; P306-A308 VanDerWaalsContact C-N 3.25Å; P306-A308 PolarHBondContact O-N 3.22Å; A308-F347 HydrophobicContact CB-CE2 4.47Å; A308-F347 HydrophobicContact CB-CZ 4.24Å |
| 309 | K | 93.1 | Very high | 93.2 | Very high | 158 Ų | 158 | 60.2 Ų | 60.2 | 69% | 0.687 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 119 | 172.7 | -67.6 | -177 | -177.9 | 178.7 | 0 | 108.5 | P306 | P306-K309 HydrophobicContact CB-CG 4.38Å; P306-K309 HydrophobicContact CG-CD 4.25Å; P306-K309 HydrophobicContact CG-CG 3.98Å |
| 310 | I | 94.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125 | -176.8 | -51.9 | 169.5 | 0 | 0 | 0 | 107.8 | T295 V296 L298 C312 M329 F341 L343 F347 | T295-I310 CarbonylContact C-O 3.6Å; T295-I310 WeakPolarHBondContact CA-O 3.17Å; V296-I310 PolarHBondContact N-O 3.42Å; V296-I310 PolarHBondContact O-N 2.88Å; L298-I310 HydrophobicContact CD1-CD1 3.65Å; L298-I310 HydrophobicContact CD1-CG1 4.18Å; I310-C312 PolarHBondContact O-N 3.22Å; I310-M329 HydrophobicContact CD1-CE 3.84Å; I310-F341 HydrophobicContact CG2-CD1 4.26Å; I310-F341 HydrophobicContact CG2-CE1 4.14Å; I310-L343 HydrophobicContact CD1-CD2 4.5Å; I310-F347 HydrophobicContact CD1-CB 4.39Å; I310-F347 HydrophobicContact CD1-CD1 3.37Å; I310-F347 HydrophobicContact CD1-CE1 3.89Å; I310-F347 HydrophobicContact CD1-CG 4.12Å; I310-F347 HydrophobicContact CG1-CB 4.1Å; I310-F347 HydrophobicContact CG1-CD1 3.79Å; I310-F347 HydrophobicContact CG1-CE1 4.44Å; I310-F347 HydrophobicContact CG1-CG 4.04Å; I310-F347 HydrophobicContact CG2-CB 4.2Å |
| 311 | L | 93.9 | Very high | 93.4 | Very high | 130 Ų | 130 | 60.7 Ų | 60.7 | 68% | 0.681 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 101.2 | 172.5 | -178 | 67.4 | 0 | 0 | 0 | 108.9 | T295 | T295-L311 HydrophobicContact CG2-CB 4.45Å; T295-L311 HydrophobicContact CG2-CD1 3.64Å |
| 312 | C | 93.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.02 | 31% | 0.305 | C | S | . | . | trans | -92.8 | -44.6 | -175 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | G294 V296 I310 T331 K339 F341 | G294-C312 PolarHBondContact O-N 2.79Å; V296-C312 HydrophobicContact CG2-CB 4.41Å; I310-C312 PolarHBondContact O-N 3.22Å; C312-T331 HydrophobicContact CB-CG2 4.44Å; C312-K339 VanDerWaalsContact O-CD 3.27Å; C312-K339 WeakPolarHBondContact O-CD 3.48Å; C312-K339 PolarHBondContact O-NZ 2.79Å; C312-F341 HydrophobicContact CB-CE2 4.02Å; C312-F341 HydrophobicContact CB-CZ 3.8Å | ||
| 313 | H | 94.7 | Very high | 93.5 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | trans | -132.6 | 159.8 | -168.8 | -65.9 | -75.4 | 0 | 0 | 0 | 111.9 | G294 G315 T331 G333 D335 Q337 | G294-H313 WeakPolarHBondContact CA-O 3.36Å; G294-H313 PolarHBondContact O-N 3.1Å; H313-G315 WeakPolarHBondContact CB-O 3.42Å; H313-T331 WeakPolarHBondContact NE2-CB 3.18Å; H313-T331 PolarHBondContact NE2-O 2.8Å; H313-T331 PolarHBondContact NE2-OG1 3.03Å; H313-G333 PolarHBondContact CE1-N 3.1Å; H313-D335 WeakPolarHBondContact CA-OD2 3.41Å; H313-D335 VanDerWaalsContact CB-OD2 3.29Å; H313-D335 WeakPolarHBondContact CB-OD2 3.42Å; H313-D335 IonicContact CE1-OD1 3.35Å; H313-D335 IonicContact CG-OD1 2.83Å; H313-D335 IonicContact CG-OD2 3.56Å; H313-D335 IonicContact ND1-OD1 3.65Å; H313-D335 PolarHBondContact ND1-OD1 3.46Å; H313-D335 IonicContact ND1-OD2 3.35Å; H313-D335 PolarHBondContact ND1-OD2 2.9Å; H313-Q337 PolarHBondContact CE1-O 3.2Å | ||
| 314 | R | 92.4 | Very high | 93.4 | Very high | 244 Ų | 244 | 57.3 Ų | 57.3 | 92% | 0.921 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -79.6 | -29.3 | 172.9 | -70.6 | -174.3 | 176.6 | -173.6 | -0.2 | 112.6 | D335 | R314-D335 PolarHBondContact N-OD2 3.37Š|
| 315 | G | 92.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -109.7 | 178.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | G294 H313 | G294-G315 WeakPolarHBondContact CA-O 3.44Å; G294-G315 PolarHBondContact N-O 2.9Å; H313-G315 WeakPolarHBondContact CB-O 3.42Å |
| 316 | G | 93.4 | Very high | 93.1 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 19% | 0.186 | 22% | 0.223 | C | C | . | . | trans | -56.7 | 141.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | S292 R318 G333 L334 | S292-G316 WeakPolarHBondContact O-CA 3.45Å; S292-G316 PolarHBondContact O-N 2.85Å; G316-R318 PolarHBondContact O-N 3.21Å; G316-G333 CarbonylContact O-C 3.55Å; G316-G333 WeakPolarHBondContact O-CA 3.28Å; G316-L334 PolarHBondContact O-N 2.99Å | ||
| 317 | V | 95.8 | Very high | 92.9 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 126.5 | 176.4 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | V277 H291 V296 V320 | V277-V317 WeakPolarHBondContact CG2-O 3.28Å; H291-V317 PolarHBondContact O-N 2.91Å; V296-V317 HydrophobicContact CG2-CG1 4.22Å; V296-V317 HydrophobicContact CG2-CG2 4Å; V317-V320 HydrophobicContact CG1-CG2 3.6Å |
| 318 | R | 94.4 | Very high | 92.9 | Very high | 95 Ų | 95 | 41.4 Ų | 41.4 | 36% | 0.358 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -37.6 | -179.4 | -70.3 | -170.3 | 67.3 | -156.5 | -7.3 | 112.9 | V277 G316 S332 G358 A359 G360 | V277-R318 WeakPolarHBondContact CG2-O 3.13Å; G316-R318 PolarHBondContact O-N 3.21Å; R318-S332 PolarHBondContact N-O 3.12Å; R318-G358 VanDerWaalsContact NH1-C 3.25Å; R318-G358 PolarHBondContact NH1-O 3.21Å; R318-A359 WeakPolarHBondContact CB-O 3.33Å; R318-G360 VanDerWaalsContact NH2-CA 3.31Å |
| 319 | A | 94.9 | Very high | 93 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 5% | 0.05 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 152.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T331 S332 L362 | A319-T331 WeakPolarHBondContact O-CA 3.46Å; A319-S332 WeakPolarHBondContact CB-OG 3.4Å; A319-S332 PolarHBondContact N-O 3.36Å; A319-S332 PolarHBondContact N-OG 2.84Å; A319-S332 PolarHBondContact O-N 3.09Å; A319-L362 HydrophobicContact CB-CB 4.03Å; A319-L362 HydrophobicContact CB-CD1 4.06Å; A319-L362 HydrophobicContact CB-CG 3.79Å |
| 320 | V | 96.1 | Very high | 93.1 | Very high | 10 Ų | 10 | 33 Ų | 33 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137.4 | 173 | 178.1 | 0 | 0 | 0 | 0 | 107 | V277 A279 H288 V296 V317 M329 A330 T331 | V277-V320 HydrophobicContact CG1-CB 4.02Å; V277-V320 HydrophobicContact CG1-CG2 3.81Å; A279-V320 HydrophobicContact CB-CB 4.26Å; A279-V320 HydrophobicContact CB-CG1 4.01Å; H288-V320 HydrophobicContact CB-CG1 4.09Å; V296-V320 HydrophobicContact CG1-CG2 4.5Å; V296-V320 HydrophobicContact CG2-CG2 3.94Å; V317-V320 HydrophobicContact CG1-CG2 3.6Å; V320-M329 HydrophobicContact CG1-CG 3.99Å; V320-M329 HydrophobicContact CG1-SD 3.95Å; V320-A330 WeakPolarHBondContact CA-O 3.5Å; V320-T331 HydrophobicContact CG1-CG2 4.47Å; V320-T331 HydrophobicContact CG2-CG2 4.23Å |
| 321 | A | 95.6 | Very high | 93.2 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 5% | 0.05 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | M329 A330 L362 F364 | A321-M329 CarbonylContact O-C 3.6Å; A321-M329 WeakPolarHBondContact O-CA 3.13Å; A321-A330 PolarHBondContact N-O 3.37Å; A321-A330 PolarHBondContact O-N 3.22Å; A321-L362 HydrophobicContact CB-CB 3.74Å; A321-F364 HydrophobicContact CB-CD2 3.69Å; A321-F364 HydrophobicContact CB-CE2 4.15Å; A321-F364 WeakPolarHBondContact O-CE2 3.48Å |
| 322 | V | 94.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 26.7 Ų | 26.7 | 9% | 0.085 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 139.9 | 177.7 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | A279 N281 H288 M329 L343 | A279-V322 HydrophobicContact CB-CG2 4.33Å; N281-V322 HydrophobicContact CB-CB 4.5Å; N281-V322 HydrophobicContact CB-CG1 3.86Å; H288-V322 VanDerWaalsContact CE1-CG2 3.43Å; H288-V322 WeakPolarHBondContact CE1-CG2 3.16Å; H288-V322 VanDerWaalsContact ND1-CG2 3.35Å; H288-V322 WeakPolarHBondContact ND1-CG2 3.37Å; V322-M329 HydrophobicContact CG2-CG 4.43Å; V322-L343 HydrophobicContact CG1-CD1 3.99Å |
| 323 | D | 92.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | trans | -66.1 | 153.1 | 176 | 178.7 | 35.1 | 0 | 0 | 0 | 111.5 | T325 G326 Y328 F364 | D323-T325 PolarHBondContact O-N 2.76Å; D323-T325 WeakPolarHBondContact OD2-CB 3.15Å; D323-T325 WeakPolarHBondContact OD2-CG2 3.42Å; D323-T325 PolarHBondContact OD2-N 3.18Å; D323-T325 PolarHBondContact OD2-OG1 2.63Å; D323-G326 WeakPolarHBondContact O-CA 3.45Å; D323-G326 PolarHBondContact O-N 3.35Å; D323-Y328 PolarHBondContact N-O 2.8Å; D323-F364 HydrophobicContact CB-CD1 4.36Å; D323-F364 HydrophobicContact CB-CD2 4.43Å; D323-F364 HydrophobicContact CB-CG 4.27Å | ||
| 324 | S | 89.1 | Confident | 93.3 | Very high | 40 Ų | 40 | 32 Ų | 32 | 28% | 0.28 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.1 | 177.2 | 64.9 | 0 | 0 | 0 | 0 | 112.9 | G326 Q366 | S324-G326 PolarHBondContact O-N 3.17Å; S324-Q366 PolarHBondContact OG-O 2.87Å; S324-Q366 VanDerWaalsContact OG-O 3.12Å |
| 325 | T | 88.2 | Confident | 93.3 | Very high | 42 Ų | 42 | 22.1 Ų | 22.1 | 26% | 0.258 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -12.4 | 175.9 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | Y283 D323 T327 K386 | Y283-T325 WeakPolarHBondContact CB-O 3.43Å; D323-T325 PolarHBondContact O-N 2.76Å; D323-T325 WeakPolarHBondContact OD2-CB 3.15Å; D323-T325 WeakPolarHBondContact OD2-CG2 3.42Å; D323-T325 PolarHBondContact OD2-N 3.18Å; D323-T325 PolarHBondContact OD2-OG1 2.63Å; T325-T327 PolarHBondContact O-N 2.88Å; T325-T327 VanDerWaalsContact OG1-CB 3.32Å; T325-T327 WeakPolarHBondContact OG1-CB 3.35Å; T325-T327 PolarHBondContact OG1-N 2.85Å; T325-T327 PolarHBondContact OG1-OG1 3.38Å; T325-K386 HydrophobicContact CG2-CG 4.22Å |
| 326 | G | 88.2 | Confident | 93.4 | Very high | 6 Ų | 6 | 25.1 Ų | 25.1 | 6% | 0.062 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 69.3 | 13.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N281 D323 S324 L343 | N281-G326 WeakPolarHBondContact OD1-CA 3.42Å; D323-G326 WeakPolarHBondContact O-CA 3.45Å; D323-G326 PolarHBondContact O-N 3.35Å; S324-G326 PolarHBondContact O-N 3.17Å; G326-L343 WeakPolarHBondContact O-CD1 3.34Å |
| 327 | T | 88.7 | Confident | 93.4 | Very high | 21 Ų | 21 | 27 Ų | 27 | 13% | 0.129 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -84 | -45.2 | -179.6 | -58 | 0 | 0 | 0 | 0 | 111.9 | T325 L343 R344 | T325-T327 PolarHBondContact O-N 2.88Å; T325-T327 VanDerWaalsContact OG1-CB 3.32Å; T325-T327 WeakPolarHBondContact OG1-CB 3.35Å; T325-T327 PolarHBondContact OG1-N 2.85Å; T325-T327 PolarHBondContact OG1-OG1 3.38Å; T327-L343 PolarHBondContact O-N 2.85Å; T327-R344 VanDerWaalsContact CG2-NH2 3.34Å |
| 328 | Y | 92.3 | Very high | 93.4 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 8% | 0.082 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 147.9 | -172.8 | -57.4 | -66.9 | 0 | 0 | 0 | 111.8 | D323 F341 L350 A387 P389 | D323-Y328 PolarHBondContact N-O 2.8Å; Y328-F341 CarbonylContact C-O 3.6Å; Y328-F341 VanDerWaalsContact CA-O 3.31Å; Y328-F341 WeakPolarHBondContact CA-O 3.09Å; Y328-L350 HydrophobicContact CD1-CD1 3.87Å; Y328-L350 HydrophobicContact CE1-CD1 3.71Å; Y328-A387 PolarHBondContact OH-O 2.77Å; Y328-P389 HydrophobicContact CD1-CB 4.35Å; Y328-P389 HydrophobicContact CE1-CB 4.21Å; Y328-P389 HydrophobicContact CE1-CG 4.5Å |
| 329 | M | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.2 | 171.9 | 177.9 | -177 | 67.1 | 0 | 0 | 109.4 | H288 V296 I310 V320 A321 V322 T331 I340 F341 L343 | H288-M329 PolarHBondContact ND1-SD 2.76Å; V296-M329 HydrophobicContact CG1-CE 4.49Å; V296-M329 HydrophobicContact CG1-SD 4.03Å; I310-M329 HydrophobicContact CD1-CE 3.84Å; V320-M329 HydrophobicContact CG1-CG 3.99Å; V320-M329 HydrophobicContact CG1-SD 3.95Å; A321-M329 CarbonylContact O-C 3.6Å; A321-M329 WeakPolarHBondContact O-CA 3.13Å; V322-M329 HydrophobicContact CG2-CG 4.43Å; M329-T331 HydrophobicContact CE-CG2 3.78Å; M329-T331 HydrophobicContact CG-CG2 4.04Å; M329-T331 HydrophobicContact SD-CG2 4.06Å; M329-I340 CarbonylContact O-C 3.52Å; M329-I340 WeakPolarHBondContact O-CA 3.43Å; M329-F341 HydrophobicContact CB-CB 4.46Å; M329-F341 HydrophobicContact CE-CB 4.08Å; M329-F341 HydrophobicContact CE-CD2 3.92Å; M329-F341 HydrophobicContact CE-CG 4.05Å; M329-F341 PolarHBondContact N-O 3.48Å; M329-F341 PolarHBondContact O-N 3.06Å; M329-L343 HydrophobicContact CB-CD1 4.1Å; M329-L343 HydrophobicContact CB-CD2 3.92Å; M329-L343 HydrophobicContact CB-CG 4Å; M329-L343 HydrophobicContact CE-CD2 4.32Å; M329-L343 HydrophobicContact SD-CD2 4.22Å |
| 330 | A | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V320 A321 K339 L362 F364 L370 | V320-A330 WeakPolarHBondContact CA-O 3.5Å; A321-A330 PolarHBondContact N-O 3.37Å; A321-A330 PolarHBondContact O-N 3.22Å; A330-K339 CarbonylContact C-O 3.59Å; A330-K339 WeakPolarHBondContact CA-O 3.21Å; A330-L362 HydrophobicContact CB-CD1 4.28Å; A330-F364 HydrophobicContact CB-CE2 3.47Å; A330-F364 VanDerWaalsContact CB-CE2 3.47Å; A330-F364 HydrophobicContact CB-CZ 3.62Å; A330-L370 HydrophobicContact CB-CD1 3.6Å; A330-L370 HydrophobicContact CB-CD2 3.83Å; A330-L370 HydrophobicContact CB-CG 4.4Å |
| 331 | T | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 142.7 | 177.8 | 69.2 | 0 | 0 | 0 | 0 | 110.4 | V296 C312 H313 A319 V320 M329 K339 F341 | V296-T331 HydrophobicContact CG2-CG2 4.07Å; C312-T331 HydrophobicContact CB-CG2 4.44Å; H313-T331 WeakPolarHBondContact NE2-CB 3.18Å; H313-T331 PolarHBondContact NE2-O 2.8Å; H313-T331 PolarHBondContact NE2-OG1 3.03Å; A319-T331 WeakPolarHBondContact O-CA 3.46Å; V320-T331 HydrophobicContact CG1-CG2 4.47Å; V320-T331 HydrophobicContact CG2-CG2 4.23Å; M329-T331 HydrophobicContact CE-CG2 3.78Å; M329-T331 HydrophobicContact CG-CG2 4.04Å; M329-T331 HydrophobicContact SD-CG2 4.06Å; T331-K339 PolarHBondContact N-O 3.27Å; T331-K339 PolarHBondContact O-N 2.9Å; T331-F341 HydrophobicContact CG2-CD2 4.22Å; T331-F341 HydrophobicContact CG2-CE2 4.15Å; T331-F341 VanDerWaalsContact OG1-CE2 3.29Å; T331-F341 WeakPolarHBondContact OG1-CE2 3.29Å |
| 332 | S | 95.8 | Very high | 93 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.8 | 170.5 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | R318 A319 Q337 A359 | R318-S332 PolarHBondContact N-O 3.12Å; A319-S332 WeakPolarHBondContact CB-OG 3.4Å; A319-S332 PolarHBondContact N-O 3.36Å; A319-S332 PolarHBondContact N-OG 2.84Å; A319-S332 PolarHBondContact O-N 3.09Å; S332-Q337 WeakPolarHBondContact CA-O 3.42Å; S332-A359 WeakPolarHBondContact CB-O 3.48Å; S332-A359 PolarHBondContact OG-O 3.22Å |
| 333 | G | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 171.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | H313 G316 D335 H336 Q337 | H313-G333 PolarHBondContact CE1-N 3.1Å; G316-G333 CarbonylContact O-C 3.55Å; G316-G333 WeakPolarHBondContact O-CA 3.28Å; G333-D335 WeakPolarHBondContact CA-OD1 3.43Å; G333-D335 PolarHBondContact O-N 3.03Å; G333-H336 PolarHBondContact O-N 3.45Å; G333-Q337 PolarHBondContact N-O 2.87Å |
| 334 | L | 93.7 | Very high | 92.3 | Very high | 118 Ų | 118 | 31.5 Ų | 31.5 | 62% | 0.618 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.5 | 163.1 | -159.1 | 92.6 | 0 | 0 | 0 | 112 | G316 H336 | G316-L334 PolarHBondContact O-N 2.99Å; L334-H336 PolarHBondContact O-CD2 2.87Å; L334-H336 VanDerWaalsContact O-CD2 3.27Å; L334-H336 PolarHBondContact O-N 3.27Å |
| 335 | D | 93.1 | Very high | 91.8 | Very high | 37 Ų | 37 | 31.4 Ų | 31.4 | 20% | 0.198 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | 8.2 | 176.3 | 60.9 | 2.9 | 0 | 0 | 0 | 113.8 | H313 R314 G333 Q337 | H313-D335 WeakPolarHBondContact CA-OD2 3.41Å; H313-D335 VanDerWaalsContact CB-OD2 3.29Å; H313-D335 WeakPolarHBondContact CB-OD2 3.42Å; H313-D335 IonicContact CE1-OD1 3.35Å; H313-D335 IonicContact CG-OD1 2.83Å; H313-D335 IonicContact CG-OD2 3.56Å; H313-D335 IonicContact ND1-OD1 3.65Å; H313-D335 PolarHBondContact ND1-OD1 3.46Å; H313-D335 IonicContact ND1-OD2 3.35Å; H313-D335 PolarHBondContact ND1-OD2 2.9Å; R314-D335 PolarHBondContact N-OD2 3.37Å; G333-D335 WeakPolarHBondContact CA-OD1 3.43Å; G333-D335 PolarHBondContact O-N 3.03Å; D335-Q337 PolarHBondContact O-N 2.89Å; D335-Q337 VanDerWaalsContact O-N 3.1Å; D335-Q337 PolarHBondContact OD1-N 3.47Å; D335-Q337 VanDerWaalsContact OD1-N 3.17Å |
| 336 | H | 93.6 | Very high | 91.1 | Very high | 83 Ų | 83 | 35 Ų | 35 | 38% | 0.384 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 61.1 | 13.4 | -178.2 | -54.8 | -99.1 | 0 | 0 | 0 | 114.3 | G333 L334 L355 G358 | G333-H336 PolarHBondContact O-N 3.45Å; L334-H336 PolarHBondContact O-CD2 2.87Å; L334-H336 VanDerWaalsContact O-CD2 3.27Å; L334-H336 PolarHBondContact O-N 3.27Å; H336-L355 PolarHBondContact O-N 3.11Å; H336-G358 PolarHBondContact ND1-N 3.37Å |
| 337 | Q | 94.4 | Very high | 90.8 | Very high | 58 Ų | 58 | 37.6 Ų | 37.6 | 27% | 0.271 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 136.4 | 176.2 | -61.9 | -174.1 | -17.1 | 0 | 0 | 110.1 | H313 S332 G333 D335 R353 | H313-Q337 PolarHBondContact CE1-O 3.2Å; S332-Q337 WeakPolarHBondContact CA-O 3.42Å; G333-Q337 PolarHBondContact N-O 2.87Å; D335-Q337 PolarHBondContact O-N 2.89Å; D335-Q337 VanDerWaalsContact O-N 3.1Å; D335-Q337 PolarHBondContact OD1-N 3.47Å; D335-Q337 VanDerWaalsContact OD1-N 3.17Å; Q337-R353 WeakPolarHBondContact CA-O 3.36Å |
| 338 | L | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.9 | 163.8 | 178.4 | 63.4 | 0 | 0 | 0 | 107.6 | S352 R353 L355 L362 L370 W381 L392 | L338-S352 CarbonylContact O-C 3.5Å; L338-S352 WeakPolarHBondContact O-CA 3.37Å; L338-R353 PolarHBondContact N-O 3.41Å; L338-R353 PolarHBondContact O-N 3.42Å; L338-L355 HydrophobicContact CB-CD1 3.88Å; L338-L355 HydrophobicContact CB-CG 4.16Å; L338-L355 HydrophobicContact CD2-CD1 4.38Å; L338-L362 HydrophobicContact CD1-CD1 3.92Å; L338-L362 HydrophobicContact CD1-CD2 3.77Å; L338-L370 HydrophobicContact CD1-CD2 4.34Å; L338-L370 HydrophobicContact CD2-CD2 4.05Å; L338-L370 HydrophobicContact CG-CD2 4.49Å; L338-W381 HydrophobicContact CD2-CE3 4.25Å; L338-W381 HydrophobicContact CD2-CH2 3.73Å; L338-W381 HydrophobicContact CD2-CZ2 4.22Å; L338-W381 HydrophobicContact CD2-CZ3 3.77Å; L338-L392 HydrophobicContact CD2-CD1 4.15Å; L338-L392 HydrophobicContact CD2-CD2 3.71Å; L338-L392 HydrophobicContact CG-CD1 4.13Å; L338-L392 HydrophobicContact CG-CD2 4.49Å |
| 339 | K | 94.7 | Very high | 90.4 | Very high | 30 Ų | 30 | 44.2 Ų | 44.2 | 13% | 0.13 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.3 | -178.5 | -69.8 | 179.6 | -175.1 | 171.8 | 0 | 111 | C312 A330 T331 F341 P349 S351 | C312-K339 VanDerWaalsContact O-CD 3.27Å; C312-K339 WeakPolarHBondContact O-CD 3.48Å; C312-K339 PolarHBondContact O-NZ 2.79Å; A330-K339 CarbonylContact C-O 3.59Å; A330-K339 WeakPolarHBondContact CA-O 3.21Å; T331-K339 PolarHBondContact N-O 3.27Å; T331-K339 PolarHBondContact O-N 2.9Å; K339-F341 HydrophobicContact CB-CD2 4.31Å; K339-F341 HydrophobicContact CB-CE2 3.45Å; K339-F341 VanDerWaalsContact CB-CE2 3.45Å; K339-F341 HydrophobicContact CB-CZ 3.88Å; K339-F341 HydrophobicContact CD-CE2 4.41Å; K339-F341 HydrophobicContact CD-CZ 4.03Å; K339-P349 HydrophobicContact CB-CB 4.46Å; K339-P349 HydrophobicContact CD-CB 4.25Å; K339-P349 HydrophobicContact CG-CB 4.48Å; K339-S351 WeakPolarHBondContact CA-O 3.41Å |
| 340 | I | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 135.8 | 173.6 | -60.1 | 164 | 0 | 0 | 0 | 108.2 | M329 P349 L350 S351 L370 P389 P390 L392 | M329-I340 CarbonylContact O-C 3.52Å; M329-I340 WeakPolarHBondContact O-CA 3.43Å; I340-P349 CarbonylContact O-C 3.5Å; I340-P349 WeakPolarHBondContact O-CA 3.47Å; I340-L350 HydrophobicContact CG2-CD1 4.48Å; I340-L350 PolarHBondContact O-N 3.05Å; I340-S351 PolarHBondContact N-O 3.02Å; I340-L370 HydrophobicContact CD1-CD2 4.49Å; I340-L370 HydrophobicContact CG1-CD2 4.46Å; I340-P389 HydrophobicContact CG2-CB 4.2Å; I340-P390 HydrophobicContact CD1-CG 3.72Å; I340-P390 WeakPolarHBondContact CD1-O 3.49Å; I340-L392 HydrophobicContact CD1-CD1 3.75Å; I340-L392 HydrophobicContact CD1-CD2 3.98Å; I340-L392 HydrophobicContact CD1-CG 3.73Å; I340-L392 HydrophobicContact CG1-CD1 4.15Å |
| 341 | F | 93.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.5 | -178.5 | -64.5 | -93.6 | 0 | 0 | 0 | 110.2 | I310 C312 Y328 M329 T331 K339 P349 | I310-F341 HydrophobicContact CG2-CD1 4.26Å; I310-F341 HydrophobicContact CG2-CE1 4.14Å; C312-F341 HydrophobicContact CB-CE2 4.02Å; C312-F341 HydrophobicContact CB-CZ 3.8Å; Y328-F341 CarbonylContact C-O 3.6Å; Y328-F341 VanDerWaalsContact CA-O 3.31Å; Y328-F341 WeakPolarHBondContact CA-O 3.09Å; M329-F341 HydrophobicContact CB-CB 4.46Å; M329-F341 HydrophobicContact CE-CB 4.08Å; M329-F341 HydrophobicContact CE-CD2 3.92Å; M329-F341 HydrophobicContact CE-CG 4.05Å; M329-F341 PolarHBondContact N-O 3.48Å; M329-F341 PolarHBondContact O-N 3.06Å; T331-F341 HydrophobicContact CG2-CD2 4.22Å; T331-F341 HydrophobicContact CG2-CE2 4.15Å; T331-F341 VanDerWaalsContact OG1-CE2 3.29Å; T331-F341 WeakPolarHBondContact OG1-CE2 3.29Å; K339-F341 HydrophobicContact CB-CD2 4.31Å; K339-F341 HydrophobicContact CB-CE2 3.45Å; K339-F341 VanDerWaalsContact CB-CE2 3.45Å; K339-F341 HydrophobicContact CB-CZ 3.88Å; K339-F341 HydrophobicContact CD-CE2 4.41Å; K339-F341 HydrophobicContact CD-CZ 4.03Å; F341-P349 HydrophobicContact CD1-CB 4.41Å; F341-P349 HydrophobicContact CE1-CB 3.9Å; F341-P349 HydrophobicContact CE1-CG 4.43Å; F341-P349 HydrophobicContact CZ-CB 4.08Å |
| 342 | D | 91.2 | Very high | 89.7 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 125.3 | 162.3 | -163.9 | -32.4 | 0 | 0 | 0 | 108.8 | R344 L350 | D342-R344 VanDerWaalsContact C-N 3.35Å; D342-R344 WeakPolarHBondContact OD1-CB 2.98Å; D342-R344 PolarHBondContact OD1-N 2.95Å; D342-R344 IonicContact OD1-NE 3.66Å; D342-R344 PolarHBondContact OD1-NE 3.17Å; D342-R344 IonicContact OD1-NH2 3.68Å; D342-R344 IonicContact OD2-CZ 3.92Å; D342-R344 IonicContact OD2-NE 3.78Å; D342-R344 IonicContact OD2-NH2 2.87Å; D342-R344 PolarHBondContact OD2-NH2 3.18Å; D342-L350 HydrophobicContact CB-CD1 3.99Å; D342-L350 HydrophobicContact CB-CG 4.35Å |
| 343 | L | 87.9 | Confident | 89.6 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16 | -180 | -67.2 | 169.8 | 0 | 0 | 0 | 113.1 | I310 V322 G326 T327 M329 | I310-L343 HydrophobicContact CD1-CD2 4.5Å; V322-L343 HydrophobicContact CG1-CD1 3.99Å; G326-L343 WeakPolarHBondContact O-CD1 3.34Å; T327-L343 PolarHBondContact O-N 2.85Å; M329-L343 HydrophobicContact CB-CD1 4.1Å; M329-L343 HydrophobicContact CB-CD2 3.92Å; M329-L343 HydrophobicContact CB-CG 4Å; M329-L343 HydrophobicContact CE-CD2 4.32Å; M329-L343 HydrophobicContact SD-CD2 4.22Å |
| 344 | R | 83.8 | Confident | 89.5 | Confident | 162 Ų | 162 | 63.6 Ų | 63.6 | 61% | 0.611 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -18 | 179.6 | -55.8 | 172.2 | -61.1 | -171.9 | -0.6 | 112.8 | T327 D342 | T327-R344 VanDerWaalsContact CG2-NH2 3.34Å; D342-R344 VanDerWaalsContact C-N 3.35Å; D342-R344 WeakPolarHBondContact OD1-CB 2.98Å; D342-R344 PolarHBondContact OD1-N 2.95Å; D342-R344 IonicContact OD1-NE 3.66Å; D342-R344 PolarHBondContact OD1-NE 3.17Å; D342-R344 IonicContact OD1-NH2 3.68Å; D342-R344 IonicContact OD2-CZ 3.92Å; D342-R344 IonicContact OD2-NE 3.78Å; D342-R344 IonicContact OD2-NH2 2.87Å; D342-R344 PolarHBondContact OD2-NH2 3.18Å |
| 345 | G | 79.3 | Confident | 89.4 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 39% | 0.392 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -151.5 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | F347 | G345-F347 PolarHBondContact O-N 3.32Š|
| 346 | T | 72.5 | Confident | 89.3 | Confident | 119 Ų | 119 | 62.9 Ų | 62.9 | 73% | 0.73 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 8.5 | -174.2 | 50.1 | 0 | 0 | 0 | 0 | 115.3 | Q348 | T346-Q348 PolarHBondContact O-N 3.02Å; T346-Q348 VanDerWaalsContact O-N 3.1Å |
| 347 | F | 81.7 | Confident | 89.1 | Confident | 60 Ų | 60 | 63.2 Ų | 63.2 | 26% | 0.263 | 34% | 0.338 | S | S | . | . | trans | 50.8 | 29.1 | -174.9 | -59.9 | -71 | 0 | 0 | 0 | 113.9 | A308 I310 G345 L471 | A308-F347 HydrophobicContact CB-CE2 4.47Å; A308-F347 HydrophobicContact CB-CZ 4.24Å; I310-F347 HydrophobicContact CD1-CB 4.39Å; I310-F347 HydrophobicContact CD1-CD1 3.37Å; I310-F347 HydrophobicContact CD1-CE1 3.89Å; I310-F347 HydrophobicContact CD1-CG 4.12Å; I310-F347 HydrophobicContact CG1-CB 4.1Å; I310-F347 HydrophobicContact CG1-CD1 3.79Å; I310-F347 HydrophobicContact CG1-CE1 4.44Å; I310-F347 HydrophobicContact CG1-CG 4.04Å; I310-F347 HydrophobicContact CG2-CB 4.2Å; G345-F347 PolarHBondContact O-N 3.32Å; F347-L471 HydrophobicContact CZ-CD2 4.47Å | ||
| 348 | Q | 85.4 | Confident | 88.8 | Confident | 124 Ų | 124 | 60.5 Ų | 60.5 | 58% | 0.579 | 33% | 0.326 | S | S | * | . | trans | -90.6 | 151.3 | 174.6 | -66.4 | -58.7 | -42.7 | 0 | 0 | 110.8 | T346 L350 | T346-Q348 PolarHBondContact O-N 3.02Å; T346-Q348 VanDerWaalsContact O-N 3.1Å; Q348-L350 PolarHBondContact O-N 2.87Å | ||
| 349 | P | 88.6 | Confident | 88.8 | Confident | 57 Ų | 57 | 60.5 Ų | 60.5 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 124.5 | 175.5 | 28.3 | -32.7 | 0 | 0 | 0 | 109.9 | K339 I340 F341 | K339-P349 HydrophobicContact CB-CB 4.46Å; K339-P349 HydrophobicContact CD-CB 4.25Å; K339-P349 HydrophobicContact CG-CB 4.48Å; I340-P349 CarbonylContact O-C 3.5Å; I340-P349 WeakPolarHBondContact O-CA 3.47Å; F341-P349 HydrophobicContact CD1-CB 4.41Å; F341-P349 HydrophobicContact CE1-CB 3.9Å; F341-P349 HydrophobicContact CE1-CG 4.43Å; F341-P349 HydrophobicContact CZ-CB 4.08Å |
| 350 | L | 88.9 | Confident | 88.7 | Confident | 95 Ų | 95 | 59.6 Ų | 59.6 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -46 | 173.2 | -71 | 175.7 | 0 | 0 | 0 | 111.4 | Y328 I340 D342 Q348 P389 | Y328-L350 HydrophobicContact CD1-CD1 3.87Å; Y328-L350 HydrophobicContact CE1-CD1 3.71Å; I340-L350 HydrophobicContact CG2-CD1 4.48Å; I340-L350 PolarHBondContact O-N 3.05Å; D342-L350 HydrophobicContact CB-CD1 3.99Å; D342-L350 HydrophobicContact CB-CG 4.35Å; Q348-L350 PolarHBondContact O-N 2.87Å; L350-P389 HydrophobicContact CD1-CB 4.46Å |
| 351 | S | 89.3 | Confident | 88.7 | Confident | 41 Ų | 41 | 61.5 Ų | 61.5 | 29% | 0.287 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 145.5 | -179.6 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | K339 I340 | K339-S351 WeakPolarHBondContact CA-O 3.41Å; I340-S351 PolarHBondContact N-O 3.02Å |
| 352 | S | 92.4 | Very high | 88.9 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 130.1 | 179.2 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | L338 | L338-S352 CarbonylContact O-C 3.5Å; L338-S352 WeakPolarHBondContact O-CA 3.37Å |
| 353 | R | 93 | Very high | 89.1 | Confident | 119 Ų | 119 | 61.2 Ų | 61.2 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 133.2 | 175.8 | -174.7 | 68.6 | -175.7 | -157.8 | -3.9 | 110.3 | Q337 L338 L355 L392 | Q337-R353 WeakPolarHBondContact CA-O 3.36Å; L338-R353 PolarHBondContact N-O 3.41Å; L338-R353 PolarHBondContact O-N 3.42Å; R353-L355 HydrophobicContact CG-CD2 4.44Å; R353-L392 HydrophobicContact CB-CB 3.76Å; R353-L392 HydrophobicContact CB-CD1 3.84Å; R353-L392 HydrophobicContact CB-CG 4.43Å; R353-L392 WeakPolarHBondContact CD-O 3.37Å; R353-L392 HydrophobicContact CG-CB 4.29Å |
| 354 | T | 93.6 | Very high | 89.4 | Confident | 93 Ų | 93 | 61.9 Ų | 61.9 | 57% | 0.571 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 126.1 | 170.2 | -51.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 355 | L | 92.3 | Very high | 89.9 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | trans | -98.7 | 152.3 | 176.6 | -62.6 | 178.6 | 0 | 0 | 0 | 110 | H336 L338 R353 Q357 A359 M374 W381 | H336-L355 PolarHBondContact O-N 3.11Å; L338-L355 HydrophobicContact CB-CD1 3.88Å; L338-L355 HydrophobicContact CB-CG 4.16Å; L338-L355 HydrophobicContact CD2-CD1 4.38Å; R353-L355 HydrophobicContact CG-CD2 4.44Å; L355-Q357 VanDerWaalsContact CB-O 3.3Å; L355-Q357 WeakPolarHBondContact CB-O 3.35Å; L355-Q357 PolarHBondContact O-N 3.17Å; L355-A359 HydrophobicContact CD1-CB 4.13Å; L355-M374 HydrophobicContact CB-SD 3.89Å; L355-M374 HydrophobicContact CD1-CE 3.71Å; L355-M374 HydrophobicContact CD1-CG 4.3Å; L355-M374 HydrophobicContact CD1-SD 3.9Å; L355-M374 HydrophobicContact CD2-CE 3.58Å; L355-M374 HydrophobicContact CD2-SD 3.98Å; L355-M374 HydrophobicContact CG-CE 4.12Å; L355-M374 HydrophobicContact CG-SD 4.14Å; L355-W381 HydrophobicContact CD2-CH2 4.08Å; L355-W381 HydrophobicContact CD2-CZ2 3.89Å | ||
| 356 | P | 90.3 | Very high | 90.4 | Very high | 127 Ų | 127 | 54.3 Ų | 54.3 | 83% | 0.825 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -59.8 | -38 | 174.6 | -22.6 | 33.3 | 0 | 0 | 0 | 112.2 | ||
| 357 | Q | 90.1 | Very high | 91.2 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 42% | 0.421 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -130.7 | 139.7 | 174.1 | -168.8 | 176.9 | 18.6 | 0 | 0 | 108.5 | L355 A359 M374 | L355-Q357 VanDerWaalsContact CB-O 3.3Å; L355-Q357 WeakPolarHBondContact CB-O 3.35Å; L355-Q357 PolarHBondContact O-N 3.17Å; Q357-A359 PolarHBondContact O-N 3.25Å; Q357-M374 HydrophobicContact CB-CB 4.48Å; Q357-M374 WeakPolarHBondContact O-CG 3.4Å |
| 358 | G | 87.4 | Confident | 91.6 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | trans | -57.2 | 138.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | R318 H336 G360 | R318-G358 VanDerWaalsContact NH1-C 3.25Å; R318-G358 PolarHBondContact NH1-O 3.21Å; H336-G358 PolarHBondContact ND1-N 3.37Å; G358-G360 PolarHBondContact O-N 3.46Å | ||
| 359 | A | 94.3 | Very high | 92 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -70 | 126.2 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | R318 S332 L355 Q357 L362 A372 G373 | R318-A359 WeakPolarHBondContact CB-O 3.33Å; S332-A359 WeakPolarHBondContact CB-O 3.48Å; S332-A359 PolarHBondContact OG-O 3.22Å; L355-A359 HydrophobicContact CD1-CB 4.13Å; Q357-A359 PolarHBondContact O-N 3.25Å; A359-L362 HydrophobicContact CB-CD2 4.03Å; A359-L362 HydrophobicContact CB-CG 4.5Å; A359-A372 HydrophobicContact CB-CB 3.7Å; A359-G373 CarbonylContact C-O 3.55Å; A359-G373 WeakPolarHBondContact CA-O 3.49Å | ||
| 360 | G | 93.4 | Very high | 92.3 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 11% | 0.113 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -81.4 | -29.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | R318 G358 G373 | R318-G360 VanDerWaalsContact NH2-CA 3.31Å; G358-G360 PolarHBondContact O-N 3.46Å; G360-G373 PolarHBondContact N-O 3.02Å |
| 361 | H | 94.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 37 Ų | 37 | 19% | 0.185 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 145 | 180 | -60.6 | 87.4 | 0 | 0 | 0 | 108.8 | G373 V405 H406 L408 | H361-G373 PolarHBondContact O-N 3.14Å; H361-V405 PolarHBondContact CE1-O 3.27Å; H361-V405 PolarHBondContact ND1-O 2.9Å; H361-H406 PolarHBondContact CD2-O 2.77Å; H361-H406 VanDerWaalsContact CE1-C 3.41Å; H361-H406 WeakPolarHBondContact CE1-CA 3.4Å; H361-H406 PolarHBondContact CE1-O 3.17Å; H361-H406 VanDerWaalsContact CE1-O 3.28Å; H361-H406 PolarHBondContact NE2-O 3.04Å; H361-L408 HydrophobicContact CB-CB 4.37Å; H361-L408 HydrophobicContact CB-CD1 3.77Å; H361-L408 HydrophobicContact CB-CG 4.1Å; H361-L408 WeakPolarHBondContact O-CD1 3.46Å |
| 362 | L | 96 | Very high | 93 | Very high | 16 Ų | 16 | 35 Ų | 35 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 147.4 | 177.5 | -68.5 | 173.8 | 0 | 0 | 0 | 109.1 | A319 A321 A330 L338 A359 L370 V371 A372 | A319-L362 HydrophobicContact CB-CB 4.03Å; A319-L362 HydrophobicContact CB-CD1 4.06Å; A319-L362 HydrophobicContact CB-CG 3.79Å; A321-L362 HydrophobicContact CB-CB 3.74Å; A330-L362 HydrophobicContact CB-CD1 4.28Å; L338-L362 HydrophobicContact CD1-CD1 3.92Å; L338-L362 HydrophobicContact CD1-CD2 3.77Å; A359-L362 HydrophobicContact CB-CD2 4.03Å; A359-L362 HydrophobicContact CB-CG 4.5Å; L362-L370 HydrophobicContact CD2-CD1 4.36Å; L362-V371 VanDerWaalsContact CA-O 3.32Å; L362-V371 WeakPolarHBondContact CA-O 3.49Å; L362-V371 WeakPolarHBondContact CD2-O 3.35Å; L362-A372 HydrophobicContact CD2-CB 3.47Å; L362-A372 VanDerWaalsContact CD2-CB 3.47Å |
| 363 | A | 95.6 | Very high | 93.1 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 8% | 0.083 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 143.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V371 L408 F410 | A363-V371 PolarHBondContact N-O 3.17Å; A363-V371 PolarHBondContact O-N 2.79Å; A363-L408 HydrophobicContact CB-CB 4.31Å; A363-F410 HydrophobicContact CB-CD2 4.23Å; A363-F410 HydrophobicContact CB-CE2 4.45Å |
| 364 | F | 94.9 | Very high | 93.1 | Very high | 25 Ų | 25 | 27.1 Ų | 27.1 | 11% | 0.11 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 145.2 | 168.1 | -84.2 | -77.9 | 0 | 0 | 0 | 110.5 | A321 D323 A330 L369 L370 P390 F410 | A321-F364 HydrophobicContact CB-CD2 3.69Å; A321-F364 HydrophobicContact CB-CE2 4.15Å; A321-F364 WeakPolarHBondContact O-CE2 3.48Å; D323-F364 HydrophobicContact CB-CD1 4.36Å; D323-F364 HydrophobicContact CB-CD2 4.43Å; D323-F364 HydrophobicContact CB-CG 4.27Å; A330-F364 HydrophobicContact CB-CE2 3.47Å; A330-F364 VanDerWaalsContact CB-CE2 3.47Å; A330-F364 HydrophobicContact CB-CZ 3.62Å; F364-L369 CarbonylContact C-O 3.58Å; F364-L369 WeakPolarHBondContact CA-O 3.45Å; F364-L370 HydrophobicContact CD1-CB 4.28Å; F364-L370 HydrophobicContact CD1-CD1 4.23Å; F364-L370 HydrophobicContact CD2-CD1 4.23Å; F364-L370 HydrophobicContact CE1-CB 3.99Å; F364-L370 HydrophobicContact CE1-CD1 4.01Å; F364-L370 HydrophobicContact CE1-CG 4.47Å; F364-L370 HydrophobicContact CE2-CD1 4.01Å; F364-L370 HydrophobicContact CG-CD1 4.35Å; F364-L370 HydrophobicContact CZ-CD1 3.91Å; F364-P390 HydrophobicContact CE1-CG 4.03Å; F364-F410 VanDerWaalsContact C-CD2 3.46Å; F364-F410 WeakPolarHBondContact O-CD2 3.27Å |
| 365 | S | 94 | Very high | 93 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | trans | -87 | 166.1 | 169.9 | 90.9 | 0 | 0 | 0 | 0 | 110.9 | R367 G368 L369 A433 | S365-R367 PolarHBondContact O-N 2.96Å; S365-R367 PolarHBondContact OG-N 3.12Å; S365-G368 PolarHBondContact O-N 2.92Å; S365-G368 VanDerWaalsContact O-N 3.12Å; S365-G368 PolarHBondContact OG-N 2.94Å; S365-L369 PolarHBondContact N-O 3.27Å; S365-L369 WeakPolarHBondContact OG-CB 3.3Å; S365-L369 PolarHBondContact OG-N 3.46Å; S365-A433 WeakPolarHBondContact CB-O 3.36Å; S365-A433 PolarHBondContact OG-O 3.12Å | ||
| 366 | Q | 90.6 | Very high | 93.1 | Very high | 38 Ų | 38 | 24.5 Ų | 24.5 | 18% | 0.178 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -26.4 | 177 | -70.3 | 174.1 | -38.3 | 0 | 0 | 112.7 | S324 K386 A433 E435 | S324-Q366 PolarHBondContact OG-O 2.87Å; S324-Q366 VanDerWaalsContact OG-O 3.12Å; Q366-K386 WeakPolarHBondContact O-CE 3.39Å; Q366-A433 PolarHBondContact N-O 3.33Å; Q366-E435 HydrophobicContact CB-CB 4.11Å; Q366-E435 VanDerWaalsContact OE1-N 3.12Å |
| 367 | R | 89.9 | Confident | 93.3 | Very high | 74 Ų | 74 | 20.1 Ų | 20.1 | 28% | 0.279 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 4.2 | 176.6 | -69.3 | -172.3 | 66.9 | -149.6 | 13.3 | 114.5 | G157 S365 G432 A433 A434 | G157-R367 PolarHBondContact O-NH1 3.2Å; S365-R367 PolarHBondContact O-N 2.96Å; S365-R367 PolarHBondContact OG-N 3.12Å; R367-G432 PolarHBondContact NH1-O 2.91Å; R367-G432 VanDerWaalsContact NH1-O 3.16Å; R367-A433 PolarHBondContact N-O 2.85Å; R367-A434 WeakPolarHBondContact CD-O 3.42Å; R367-A434 WeakPolarHBondContact CG-O 3.49Å |
| 368 | G | 89.3 | Confident | 93.6 | Very high | 5 Ų | 5 | 15.9 Ų | 15.9 | 5% | 0.052 | 9% | 0.086 | C | C | . | . | trans | 87.8 | 15.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S365 | S365-G368 PolarHBondContact O-N 2.92Å; S365-G368 VanDerWaalsContact O-N 3.12Å; S365-G368 PolarHBondContact OG-N 2.94Å | ||
| 369 | L | 93.3 | Very high | 94 | Very high | 12 Ų | 12 | 17 Ų | 17 | 6% | 0.063 | 9% | 0.091 | C | C | . | . | trans | -67.3 | 137.1 | 165.4 | -60.7 | -177.7 | 0 | 0 | 0 | 109.1 | F364 S365 I380 W381 A382 Y396 F410 V430 A433 | F364-L369 CarbonylContact C-O 3.58Å; F364-L369 WeakPolarHBondContact CA-O 3.45Å; S365-L369 PolarHBondContact N-O 3.27Å; S365-L369 WeakPolarHBondContact OG-CB 3.3Å; S365-L369 PolarHBondContact OG-N 3.46Å; L369-I380 HydrophobicContact CB-CG2 4.23Å; L369-I380 HydrophobicContact CD1-CG2 4.27Å; L369-W381 WeakPolarHBondContact CA-O 3.26Å; L369-A382 VanDerWaalsContact CD2-CA 3.5Å; L369-A382 HydrophobicContact CD2-CB 3.52Å; L369-Y396 HydrophobicContact CD1-CD1 4.48Å; L369-Y396 HydrophobicContact CD1-CE1 4.33Å; L369-Y396 HydrophobicContact CD2-CD1 4.5Å; L369-F410 HydrophobicContact CB-CZ 4.19Å; L369-V430 HydrophobicContact CD1-CG1 3.75Å; L369-A433 VanDerWaalsContact CD1-CA 3.45Å; L369-A433 HydrophobicContact CD1-CB 3.81Å | ||
| 370 | L | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.5 | 174.4 | 177.3 | 64.9 | 0 | 0 | 0 | 109.5 | A330 L338 I340 L362 F364 I380 W381 P390 L392 | A330-L370 HydrophobicContact CB-CD1 3.6Å; A330-L370 HydrophobicContact CB-CD2 3.83Å; A330-L370 HydrophobicContact CB-CG 4.4Å; L338-L370 HydrophobicContact CD1-CD2 4.34Å; L338-L370 HydrophobicContact CD2-CD2 4.05Å; L338-L370 HydrophobicContact CG-CD2 4.49Å; I340-L370 HydrophobicContact CD1-CD2 4.49Å; I340-L370 HydrophobicContact CG1-CD2 4.46Å; L362-L370 HydrophobicContact CD2-CD1 4.36Å; F364-L370 HydrophobicContact CD1-CB 4.28Å; F364-L370 HydrophobicContact CD1-CD1 4.23Å; F364-L370 HydrophobicContact CD2-CD1 4.23Å; F364-L370 HydrophobicContact CE1-CB 3.99Å; F364-L370 HydrophobicContact CE1-CD1 4.01Å; F364-L370 HydrophobicContact CE1-CG 4.47Å; F364-L370 HydrophobicContact CE2-CD1 4.01Å; F364-L370 HydrophobicContact CG-CD1 4.35Å; F364-L370 HydrophobicContact CZ-CD1 3.91Å; L370-I380 CarbonylContact O-C 3.48Å; L370-I380 VanDerWaalsContact O-CA 3.32Å; L370-I380 WeakPolarHBondContact O-CA 2.99Å; L370-W381 HydrophobicContact CD2-CE3 4.48Å; L370-W381 HydrophobicContact CG-CE3 4.35Å; L370-W381 PolarHBondContact N-O 3.39Å; L370-W381 PolarHBondContact O-N 2.64Å; L370-P390 HydrophobicContact CB-CB 4.19Å; L370-P390 HydrophobicContact CB-CG 3.74Å; L370-P390 HydrophobicContact CD2-CG 4.21Å; L370-L392 HydrophobicContact CD2-CD2 4.2Å |
| 371 | V | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 136.3 | 172.5 | 142.3 | 0 | 0 | 0 | 0 | 109.8 | L362 A363 V378 N379 I380 L408 F410 L417 | L362-V371 VanDerWaalsContact CA-O 3.32Å; L362-V371 WeakPolarHBondContact CA-O 3.49Å; L362-V371 WeakPolarHBondContact CD2-O 3.35Å; A363-V371 PolarHBondContact N-O 3.17Å; A363-V371 PolarHBondContact O-N 2.79Å; V371-V378 HydrophobicContact CG1-CG1 4.07Å; V371-V378 HydrophobicContact CG2-CG1 4.24Å; V371-N379 CarbonylContact C-O 3.56Å; V371-N379 WeakPolarHBondContact CA-O 3.39Å; V371-I380 HydrophobicContact CG2-CB 4.21Å; V371-I380 HydrophobicContact CG2-CD1 3.79Å; V371-I380 HydrophobicContact CG2-CG1 3.58Å; V371-I380 HydrophobicContact CG2-CG2 4.13Å; V371-L408 HydrophobicContact CG1-CB 3.97Å; V371-L408 HydrophobicContact CG1-CD1 3.42Å; V371-L408 VanDerWaalsContact CG1-CD1 3.42Å; V371-L408 HydrophobicContact CG1-CD2 3.93Å; V371-L408 HydrophobicContact CG1-CG 3.96Å; V371-F410 HydrophobicContact CB-CE2 3.83Å; V371-F410 HydrophobicContact CB-CZ 3.88Å; V371-F410 HydrophobicContact CG2-CE1 4.15Å; V371-F410 HydrophobicContact CG2-CE2 3.83Å; V371-F410 HydrophobicContact CG2-CZ 3.33Å; V371-L417 HydrophobicContact CB-CD1 4.49Å; V371-L417 HydrophobicContact CG1-CD1 4.2Å; V371-L417 HydrophobicContact CG1-CD2 4.22Å; V371-L417 HydrophobicContact CG2-CD1 4.08Å; V371-L417 HydrophobicContact CG2-CD2 3.62Å; V371-L417 HydrophobicContact CG2-CG 4.49Å |
| 372 | A | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 128.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A359 L362 M374 V378 N379 W381 | A359-A372 HydrophobicContact CB-CB 3.7Å; L362-A372 HydrophobicContact CD2-CB 3.47Å; L362-A372 VanDerWaalsContact CD2-CB 3.47Å; A372-M374 HydrophobicContact CB-CE 4.25Å; A372-V378 WeakPolarHBondContact O-CA 3.45Å; A372-N379 PolarHBondContact N-O 3.05Å; A372-N379 PolarHBondContact O-N 2.86Å; A372-W381 HydrophobicContact CB-CH2 3.64Å; A372-W381 HydrophobicContact CB-CZ3 3.34Å |
| 373 | G | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 112.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A359 G360 H361 L408 | A359-G373 CarbonylContact C-O 3.55Å; A359-G373 WeakPolarHBondContact CA-O 3.49Å; G360-G373 PolarHBondContact N-O 3.02Å; H361-G373 PolarHBondContact O-N 3.14Å; G373-L408 VanDerWaalsContact N-CD1 3.25Å |
| 374 | M | 93.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 25.8 Ų | 25.8 | 5% | 0.054 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 92.3 | 175.9 | -65.7 | 177.2 | -125.3 | 0 | 0 | 109.4 | L355 Q357 A372 D376 V377 N379 W381 | L355-M374 HydrophobicContact CB-SD 3.89Å; L355-M374 HydrophobicContact CD1-CE 3.71Å; L355-M374 HydrophobicContact CD1-CG 4.3Å; L355-M374 HydrophobicContact CD1-SD 3.9Å; L355-M374 HydrophobicContact CD2-CE 3.58Å; L355-M374 HydrophobicContact CD2-SD 3.98Å; L355-M374 HydrophobicContact CG-CE 4.12Å; L355-M374 HydrophobicContact CG-SD 4.14Å; Q357-M374 HydrophobicContact CB-CB 4.48Å; Q357-M374 WeakPolarHBondContact O-CG 3.4Å; A372-M374 HydrophobicContact CB-CE 4.25Å; M374-D376 PolarHBondContact O-N 2.91Å; M374-D376 VanDerWaalsContact O-N 3.1Å; M374-V377 CarbonylContact C-O 3.53Å; M374-V377 PolarHBondContact N-O 2.81Å; M374-V377 PolarHBondContact O-N 2.87Å; M374-N379 HydrophobicContact CE-CB 3.68Å; M374-N379 WeakPolarHBondContact CE-ND2 3.47Å; M374-W381 HydrophobicContact CE-CH2 3.51Å; M374-W381 HydrophobicContact CE-CZ2 4.02Å |
| 375 | G | 91.8 | Very high | 90.2 | Very high | 13 Ų | 13 | 26 Ų | 26 | 13% | 0.134 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | -115.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | H404 V405 | G375-H404 CarbonylContact O-C 3.59Å; G375-H404 VanDerWaalsContact O-CA 3.32Å; G375-H404 WeakPolarHBondContact O-CA 3.34Å; G375-V405 WeakPolarHBondContact O-CG2 3.36Å; G375-V405 PolarHBondContact O-N 3.1Å |
| 376 | D | 93.4 | Very high | 88.8 | Confident | 37 Ų | 37 | 29.1 Ų | 29.1 | 20% | 0.198 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -4.2 | 175.6 | 62.3 | -30.1 | 0 | 0 | 0 | 113.8 | M374 R400 L401 | M374-D376 PolarHBondContact O-N 2.91Å; M374-D376 VanDerWaalsContact O-N 3.1Å; D376-R400 IonicContact OD2-CZ 3.88Å; D376-R400 VanDerWaalsContact OD2-CZ 3.26Å; D376-R400 IonicContact OD2-NE 3.18Å; D376-R400 PolarHBondContact OD2-NE 3.07Å; D376-R400 IonicContact OD2-NH2 2.85Å; D376-R400 PolarHBondContact OD2-NH2 2.92Å; D376-L401 WeakPolarHBondContact O-CB 3.48Å; D376-L401 PolarHBondContact O-N 2.89Å |
| 377 | V | 94.9 | Very high | 87.4 | Confident | 36 Ų | 36 | 31 Ų | 31 | 22% | 0.218 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.8 | -178.8 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | M374 N379 T398 H399 R400 | M374-V377 CarbonylContact C-O 3.53Å; M374-V377 PolarHBondContact N-O 2.81Å; M374-V377 PolarHBondContact O-N 2.87Å; V377-N379 WeakPolarHBondContact CG1-OD1 3.13Å; V377-T398 HydrophobicContact CG1-CG2 3.72Å; V377-H399 CarbonylContact C-O 3.58Å; V377-H399 WeakPolarHBondContact CA-O 3.48Å; V377-R400 HydrophobicContact CG2-CG 4.32Å |
| 378 | V | 96 | Very high | 86.8 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.3 | 171.6 | 180 | 0 | 0 | 0 | 0 | 108.7 | V371 A372 I380 T398 H399 L401 V405 L408 L417 V419 | V371-V378 HydrophobicContact CG1-CG1 4.07Å; V371-V378 HydrophobicContact CG2-CG1 4.24Å; A372-V378 WeakPolarHBondContact O-CA 3.45Å; V378-I380 HydrophobicContact CG1-CG1 4.44Å; V378-T398 WeakPolarHBondContact O-CA 3.38Å; V378-H399 PolarHBondContact N-O 2.78Å; V378-H399 PolarHBondContact O-N 3.42Å; V378-L401 HydrophobicContact CG2-CD1 3.67Å; V378-V405 HydrophobicContact CG2-CG2 3.9Å; V378-L408 HydrophobicContact CG1-CD2 4.49Å; V378-L408 HydrophobicContact CG2-CD2 4.19Å; V378-L417 HydrophobicContact CG1-CD2 3.93Å; V378-V419 HydrophobicContact CG2-CG1 4.4Å; V378-V419 HydrophobicContact CG2-CG2 4.47Å |
| 379 | N | 95.5 | Very high | 86.4 | Confident | 25 Ų | 25 | 31.1 Ų | 31.1 | 13% | 0.134 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138 | 171.1 | -70.7 | 6 | 0 | 0 | 0 | 109.5 | V371 A372 M374 V377 W381 P395 T398 | V371-N379 CarbonylContact C-O 3.56Å; V371-N379 WeakPolarHBondContact CA-O 3.39Å; A372-N379 PolarHBondContact N-O 3.05Å; A372-N379 PolarHBondContact O-N 2.86Å; M374-N379 HydrophobicContact CE-CB 3.68Å; M374-N379 WeakPolarHBondContact CE-ND2 3.47Å; V377-N379 WeakPolarHBondContact CG1-OD1 3.13Å; N379-W381 HydrophobicContact CB-CE3 4.48Å; N379-W381 HydrophobicContact CB-CH2 3.54Å; N379-W381 HydrophobicContact CB-CZ2 3.74Å; N379-W381 HydrophobicContact CB-CZ3 3.92Å; N379-W381 WeakPolarHBondContact O-CZ3 3.49Å; N379-P395 HydrophobicContact CB-CB 4.49Å; N379-T398 WeakPolarHBondContact OD1-CG2 3.47Å |
| 380 | I | 95.6 | Very high | 86 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.4 | 175.9 | -45.3 | -163 | 0 | 0 | 0 | 107.3 | L369 L370 V371 V378 P395 Y396 L397 L417 V430 | L369-I380 HydrophobicContact CB-CG2 4.23Å; L369-I380 HydrophobicContact CD1-CG2 4.27Å; L370-I380 CarbonylContact O-C 3.48Å; L370-I380 VanDerWaalsContact O-CA 3.32Å; L370-I380 WeakPolarHBondContact O-CA 2.99Å; V371-I380 HydrophobicContact CG2-CB 4.21Å; V371-I380 HydrophobicContact CG2-CD1 3.79Å; V371-I380 HydrophobicContact CG2-CG1 3.58Å; V371-I380 HydrophobicContact CG2-CG2 4.13Å; V378-I380 HydrophobicContact CG1-CG1 4.44Å; I380-P395 CarbonylContact O-C 3.39Å; I380-P395 VanDerWaalsContact O-CA 3.28Å; I380-P395 WeakPolarHBondContact O-CA 3.48Å; I380-Y396 HydrophobicContact CB-CD1 4.46Å; I380-Y396 HydrophobicContact CG2-CD1 4.01Å; I380-Y396 WeakPolarHBondContact O-CB 3.4Å; I380-Y396 PolarHBondContact O-N 3.38Å; I380-L397 HydrophobicContact CB-CB 4.2Å; I380-L397 HydrophobicContact CD1-CB 4.2Å; I380-L397 HydrophobicContact CD1-CD2 4.09Å; I380-L397 HydrophobicContact CG1-CB 4.19Å; I380-L397 HydrophobicContact CG1-CD2 4.43Å; I380-L397 PolarHBondContact N-O 3.35Å; I380-L397 PolarHBondContact O-N 3.14Å; I380-L417 HydrophobicContact CD1-CD2 4.2Å; I380-V430 HydrophobicContact CD1-CB 4.15Å; I380-V430 HydrophobicContact CD1-CG1 3.58Å; I380-V430 HydrophobicContact CD1-CG2 3.38Å; I380-V430 HydrophobicContact CG2-CG1 4.25Å |
| 381 | W | 94.3 | Very high | 85.6 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 2% | 0.023 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.5 | 172.3 | -64.3 | -90.2 | 0 | 0 | 0 | 110.1 | L338 L355 L369 L370 A372 M374 N379 P390 S391 L392 | L338-W381 HydrophobicContact CD2-CE3 4.25Å; L338-W381 HydrophobicContact CD2-CH2 3.73Å; L338-W381 HydrophobicContact CD2-CZ2 4.22Å; L338-W381 HydrophobicContact CD2-CZ3 3.77Å; L355-W381 HydrophobicContact CD2-CH2 4.08Å; L355-W381 HydrophobicContact CD2-CZ2 3.89Å; L369-W381 WeakPolarHBondContact CA-O 3.26Å; L370-W381 HydrophobicContact CD2-CE3 4.48Å; L370-W381 HydrophobicContact CG-CE3 4.35Å; L370-W381 PolarHBondContact N-O 3.39Å; L370-W381 PolarHBondContact O-N 2.64Å; A372-W381 HydrophobicContact CB-CH2 3.64Å; A372-W381 HydrophobicContact CB-CZ3 3.34Å; M374-W381 HydrophobicContact CE-CH2 3.51Å; M374-W381 HydrophobicContact CE-CZ2 4.02Å; N379-W381 HydrophobicContact CB-CE3 4.48Å; N379-W381 HydrophobicContact CB-CH2 3.54Å; N379-W381 HydrophobicContact CB-CZ2 3.74Å; N379-W381 HydrophobicContact CB-CZ3 3.92Å; N379-W381 WeakPolarHBondContact O-CZ3 3.49Å; W381-P390 HydrophobicContact CB-CB 4.2Å; W381-S391 WeakPolarHBondContact CB-O 3.32Å; W381-S391 VanDerWaalsContact CD1-O 3.28Å; W381-L392 HydrophobicContact CB-CD2 4.22Å; W381-L392 HydrophobicContact CD2-CD2 3.88Å; W381-L392 HydrophobicContact CE3-CD2 4.36Å; W381-L392 HydrophobicContact CG-CD2 3.8Å |
| 382 | A | 89.5 | Confident | 85.2 | Confident | 31 Ų | 31 | 33.7 Ų | 33.7 | 26% | 0.256 | 21% | 0.213 | S | C | . | . | trans | -103.1 | 147.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L369 S391 Y396 | L369-A382 VanDerWaalsContact CD2-CA 3.5Å; L369-A382 HydrophobicContact CD2-CB 3.52Å; A382-S391 PolarHBondContact O-N 2.88Å; A382-Y396 HydrophobicContact CB-CD2 3.99Å; A382-Y396 HydrophobicContact CB-CG 3.96Å | ||
| 383 | G | 79.4 | Confident | 84.7 | Confident | 25 Ų | 25 | 40.7 Ų | 40.7 | 26% | 0.258 | 25% | 0.245 | S | C | . | . | trans | -101.8 | 171.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G385 | G383-G385 PolarHBondContact O-N 2.74Š| ||
| 384 | Q | 68.3 | Low | 84.4 | Confident | 198 Ų | 198 | 47.3 Ų | 47.3 | 93% | 0.925 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -80.6 | 38.3 | 172.8 | -62.7 | -153.9 | -23.5 | 0 | 0 | 112.5 | S388 | Q384-S388 WeakPolarHBondContact CA-OG 3.42Å; Q384-S388 PolarHBondContact N-OG 2.87Å |
| 385 | G | 63.8 | Low | 84.3 | Confident | 30 Ų | 30 | 48.6 Ų | 48.6 | 31% | 0.309 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 118 | 175 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | G383 A387 S388 | G383-G385 PolarHBondContact O-N 2.74Å; G385-A387 PolarHBondContact O-N 3.37Å; G385-A387 VanDerWaalsContact O-N 3.09Å; G385-S388 PolarHBondContact N-OG 3Å; G385-S388 PolarHBondContact O-N 2.92Å; G385-S388 VanDerWaalsContact O-N 3.1Å; G385-S388 PolarHBondContact O-OG 2.86Å |
| 386 | K | 62.6 | Low | 84.3 | Confident | 68 Ų | 68 | 49.1 Ų | 49.1 | 30% | 0.296 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -25.6 | -168.1 | -161 | 177.5 | -166.6 | 178.8 | 0 | 114.9 | T325 Q366 E435 | T325-K386 HydrophobicContact CG2-CG 4.22Å; Q366-K386 WeakPolarHBondContact O-CE 3.39Å; K386-E435 IonicContact NZ-OE1 2.71Å; K386-E435 PolarHBondContact NZ-OE1 3.44Å; K386-E435 IonicContact NZ-OE2 2.86Å; K386-E435 PolarHBondContact NZ-OE2 2.58Å |
| 387 | A | 62.1 | Low | 84.4 | Confident | 79 Ų | 79 | 47.4 Ų | 47.4 | 65% | 0.653 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | 4.9 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y328 G385 | Y328-A387 PolarHBondContact OH-O 2.77Å; G385-A387 PolarHBondContact O-N 3.37Å; G385-A387 VanDerWaalsContact O-N 3.09Å |
| 388 | S | 77.4 | Confident | 84.4 | Confident | 32 Ų | 32 | 47.9 Ų | 47.9 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -108.5 | 144.7 | 177.3 | 65.3 | 0 | 0 | 0 | 0 | 110.3 | Q384 G385 | Q384-S388 WeakPolarHBondContact CA-OG 3.42Å; Q384-S388 PolarHBondContact N-OG 2.87Å; G385-S388 PolarHBondContact N-OG 3Å; G385-S388 PolarHBondContact O-N 2.92Å; G385-S388 VanDerWaalsContact O-N 3.1Å; G385-S388 PolarHBondContact O-OG 2.86Å |
| 389 | P | 81.3 | Confident | 84.3 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 147.3 | 174.3 | 29.6 | -34.1 | 0 | 0 | 0 | 110 | Y328 I340 L350 S391 | Y328-P389 HydrophobicContact CD1-CB 4.35Å; Y328-P389 HydrophobicContact CE1-CB 4.21Å; Y328-P389 HydrophobicContact CE1-CG 4.5Å; I340-P389 HydrophobicContact CG2-CB 4.2Å; L350-P389 HydrophobicContact CD1-CB 4.46Å; P389-S391 PolarHBondContact O-N 3.43Å |
| 390 | P | 84.6 | Confident | 84.2 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.032 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 137.4 | 175.9 | 22.5 | -28.5 | 0 | 0 | 0 | 111 | I340 F364 L370 W381 | I340-P390 HydrophobicContact CD1-CG 3.72Å; I340-P390 WeakPolarHBondContact CD1-O 3.49Å; F364-P390 HydrophobicContact CE1-CG 4.03Å; L370-P390 HydrophobicContact CB-CB 4.19Å; L370-P390 HydrophobicContact CB-CG 3.74Å; L370-P390 HydrophobicContact CD2-CG 4.21Å; W381-P390 HydrophobicContact CB-CB 4.2Å |
| 391 | S | 86.8 | Confident | 84.1 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 124.8 | 175 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | W381 A382 P389 E393 | W381-S391 WeakPolarHBondContact CB-O 3.32Å; W381-S391 VanDerWaalsContact CD1-O 3.28Å; A382-S391 PolarHBondContact O-N 2.88Å; P389-S391 PolarHBondContact O-N 3.43Å; S391-E393 VanDerWaalsContact C-N 3.34Å |
| 392 | L | 87.4 | Confident | 83.7 | Confident | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | trans | -92.7 | 9.8 | -179.5 | -60.5 | -178.1 | 0 | 0 | 0 | 113.3 | L338 I340 R353 L370 W381 | L338-L392 HydrophobicContact CD2-CD1 4.15Å; L338-L392 HydrophobicContact CD2-CD2 3.71Å; L338-L392 HydrophobicContact CG-CD1 4.13Å; L338-L392 HydrophobicContact CG-CD2 4.49Å; I340-L392 HydrophobicContact CD1-CD1 3.75Å; I340-L392 HydrophobicContact CD1-CD2 3.98Å; I340-L392 HydrophobicContact CD1-CG 3.73Å; I340-L392 HydrophobicContact CG1-CD1 4.15Å; R353-L392 HydrophobicContact CB-CB 3.76Å; R353-L392 HydrophobicContact CB-CD1 3.84Å; R353-L392 HydrophobicContact CB-CG 4.43Å; R353-L392 WeakPolarHBondContact CD-O 3.37Å; R353-L392 HydrophobicContact CG-CB 4.29Å; L370-L392 HydrophobicContact CD2-CD2 4.2Å; W381-L392 HydrophobicContact CB-CD2 4.22Å; W381-L392 HydrophobicContact CD2-CD2 3.88Å; W381-L392 HydrophobicContact CE3-CD2 4.36Å; W381-L392 HydrophobicContact CG-CD2 3.8Å | ||
| 393 | E | 86.1 | Confident | 83.7 | Confident | 146 Ų | 146 | 61 Ų | 61 | 68% | 0.682 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -71.7 | -51.3 | -177.9 | -67.7 | -176.2 | 170.5 | 0 | 0 | 112 | S391 | S391-E393 VanDerWaalsContact C-N 3.34Š|
| 394 | Q | 87.4 | Confident | 84.4 | Confident | 141 Ų | 141 | 65.2 Ų | 65.2 | 66% | 0.659 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -131.1 | 135.2 | -179.9 | -65.3 | -177.9 | -7 | 0 | 0 | 109.8 | ||
| 395 | P | 92.1 | Very high | 85.7 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | trans | -69.1 | 139.6 | 174.2 | 28.9 | -31.3 | 0 | 0 | 0 | 110.1 | A168 N379 I380 | A168-P395 HydrophobicContact CB-CG 3.92Å; N379-P395 HydrophobicContact CB-CB 4.49Å; I380-P395 CarbonylContact O-C 3.39Å; I380-P395 VanDerWaalsContact O-CA 3.28Å; I380-P395 WeakPolarHBondContact O-CA 3.48Å | ||
| 396 | Y | 92.8 | Very high | 87.1 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 10% | 0.098 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -66.8 | -43.4 | 171.2 | 175.3 | -116.6 | 0 | 0 | 0 | 112.1 | L159 T167 A168 L369 I380 A382 V430 P431 | L159-Y396 HydrophobicContact CB-CE2 3.97Å; L159-Y396 WeakPolarHBondContact CB-OH 3.49Å; L159-Y396 PolarHBondContact N-OH 2.87Å; L159-Y396 WeakPolarHBondContact O-CE2 3.34Å; T167-Y396 CarbonylContact C-O 3.35Å; T167-Y396 VanDerWaalsContact CB-O 3.3Å; T167-Y396 WeakPolarHBondContact CB-O 3.45Å; T167-Y396 PolarHBondContact OG1-O 3.26Å; A168-Y396 PolarHBondContact N-O 3.47Å; L369-Y396 HydrophobicContact CD1-CD1 4.48Å; L369-Y396 HydrophobicContact CD1-CE1 4.33Å; L369-Y396 HydrophobicContact CD2-CD1 4.5Å; I380-Y396 HydrophobicContact CB-CD1 4.46Å; I380-Y396 HydrophobicContact CG2-CD1 4.01Å; I380-Y396 WeakPolarHBondContact O-CB 3.4Å; I380-Y396 PolarHBondContact O-N 3.38Å; A382-Y396 HydrophobicContact CB-CD2 3.99Å; A382-Y396 HydrophobicContact CB-CG 3.96Å; Y396-V430 HydrophobicContact CE1-CG1 4.27Å; Y396-P431 WeakPolarHBondContact CE1-O 3.36Å; Y396-P431 PolarHBondContact OH-O 3.39Å |
| 397 | L | 93.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 139.8 | 178 | -170.3 | 143.3 | 0 | 0 | 0 | 109.1 | L159 I175 I380 H399 M428 | L159-L397 HydrophobicContact CD2-CD1 4.5Å; I175-L397 HydrophobicContact CD1-CD1 3.57Å; I380-L397 HydrophobicContact CB-CB 4.2Å; I380-L397 HydrophobicContact CD1-CB 4.2Å; I380-L397 HydrophobicContact CD1-CD2 4.09Å; I380-L397 HydrophobicContact CG1-CB 4.19Å; I380-L397 HydrophobicContact CG1-CD2 4.43Å; I380-L397 PolarHBondContact N-O 3.35Å; I380-L397 PolarHBondContact O-N 3.14Å; L397-H399 HydrophobicContact CD2-CB 4.06Å; L397-M428 HydrophobicContact CD2-CE 4.34Å |
| 398 | T | 94.5 | Very high | 90.2 | Very high | 46 Ų | 46 | 52 Ų | 52 | 28% | 0.282 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.9 | 173.7 | -60 | 0 | 0 | 0 | 0 | 109.1 | A168 V377 V378 N379 | A168-T398 PolarHBondContact O-N 3.4Å; V377-T398 HydrophobicContact CG1-CG2 3.72Å; V378-T398 WeakPolarHBondContact O-CA 3.38Å; N379-T398 WeakPolarHBondContact OD1-CG2 3.47Å |
| 399 | H | 94.6 | Very high | 91.1 | Very high | 38 Ų | 38 | 52.9 Ų | 52.9 | 18% | 0.176 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 141.5 | 178.9 | -170.1 | -103.1 | 0 | 0 | 0 | 111.5 | Q172 V377 V378 L397 M428 | Q172-H399 WeakPolarHBondContact CG-CD2 3.24Å; Q172-H399 WeakPolarHBondContact CG-NE2 3.46Å; V377-H399 CarbonylContact C-O 3.58Å; V377-H399 WeakPolarHBondContact CA-O 3.48Å; V378-H399 PolarHBondContact N-O 2.78Å; V378-H399 PolarHBondContact O-N 3.42Å; L397-H399 HydrophobicContact CD2-CB 4.06Å; H399-M428 HydrophobicContact CB-CE 3.25Å; H399-M428 HydrophobicContact CB-SD 4.23Å; H399-M428 WeakPolarHBondContact ND1-CE 3.47Å; H399-M428 PolarHBondContact ND1-SD 3.08Å |
| 400 | R | 94.3 | Very high | 91.8 | Very high | 181 Ų | 181 | 51.1 Ų | 51.1 | 68% | 0.683 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.9 | 177 | -171 | 174 | -170.9 | 158.8 | 5.6 | 110.1 | D376 V377 | D376-R400 IonicContact OD2-CZ 3.88Å; D376-R400 VanDerWaalsContact OD2-CZ 3.26Å; D376-R400 IonicContact OD2-NE 3.18Å; D376-R400 PolarHBondContact OD2-NE 3.07Å; D376-R400 IonicContact OD2-NH2 2.85Å; D376-R400 PolarHBondContact OD2-NH2 2.92Å; V377-R400 HydrophobicContact CG2-CG 4.32Å |
| 401 | L | 92.3 | Very high | 92.3 | Very high | 13 Ų | 13 | 51 Ų | 51 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | trans | -100 | 167.3 | -178.6 | -65.2 | 167.7 | 0 | 0 | 0 | 111.5 | D376 V378 G403 V405 V419 T426 M428 | D376-L401 WeakPolarHBondContact O-CB 3.48Å; D376-L401 PolarHBondContact O-N 2.89Å; V378-L401 HydrophobicContact CG2-CD1 3.67Å; L401-G403 PolarHBondContact O-N 3.34Å; L401-V405 HydrophobicContact CD1-CG2 3.65Å; L401-V419 HydrophobicContact CD1-CB 4Å; L401-V419 HydrophobicContact CD1-CG1 3.36Å; L401-V419 HydrophobicContact CD1-CG2 4.31Å; L401-T426 HydrophobicContact CD2-CG2 3.98Å; L401-T426 WeakPolarHBondContact CD2-OG1 3.44Å; L401-M428 HydrophobicContact CD2-SD 3.86Å | ||
| 402 | S | 86 | Confident | 92.6 | Very high | 97 Ų | 97 | 49.2 Ų | 49.2 | 68% | 0.678 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -73 | -10.9 | 180 | 60.2 | 0 | 0 | 0 | 0 | 114.1 | H421 | S402-H421 PolarHBondContact OG-CE1 2.84Š|
| 403 | G | 90.7 | Very high | 92.9 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -163.1 | 176.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L401 | L401-G403 PolarHBondContact O-N 3.34Š|
| 404 | H | 93.7 | Very high | 93.3 | Very high | 113 Ų | 113 | 44.7 Ų | 44.7 | 52% | 0.523 | 22% | 0.224 | S | C | . | . | trans | -66.6 | 139.6 | -177.8 | -63.2 | -56.2 | 0 | 0 | 0 | 112.3 | G375 H406 H421 S422 | G375-H404 CarbonylContact O-C 3.59Å; G375-H404 VanDerWaalsContact O-CA 3.32Å; G375-H404 WeakPolarHBondContact O-CA 3.34Å; H404-H406 PolarHBondContact O-CD2 3.13Å; H404-H421 CarbonylContact O-C 3.51Å; H404-H421 WeakPolarHBondContact O-CA 3.5Å; H404-H421 VanDerWaalsContact O-CB 3.31Å; H404-H421 WeakPolarHBondContact O-CB 3.25Å; H404-S422 PolarHBondContact N-OG 2.71Å; H404-S422 PolarHBondContact O-N 3.03Å | ||
| 405 | V | 95.4 | Very high | 93.6 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 125.8 | -178.5 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | H361 G375 V378 L401 L408 V419 | H361-V405 PolarHBondContact CE1-O 3.27Å; H361-V405 PolarHBondContact ND1-O 2.9Å; G375-V405 WeakPolarHBondContact O-CG2 3.36Å; G375-V405 PolarHBondContact O-N 3.1Å; V378-V405 HydrophobicContact CG2-CG2 3.9Å; L401-V405 HydrophobicContact CD1-CG2 3.65Å; V405-L408 HydrophobicContact CG1-CD1 3.88Å; V405-L408 HydrophobicContact CG1-CD2 3.72Å; V405-L408 HydrophobicContact CG1-CG 3.57Å; V405-V419 HydrophobicContact CB-CG1 4.38Å; V405-V419 HydrophobicContact CG1-CG1 3.79Å; V405-V419 HydrophobicContact CG2-CG1 3.84Å |
| 406 | H | 93.6 | Very high | 93.8 | Very high | 59 Ų | 59 | 38.4 Ų | 38.4 | 27% | 0.273 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | -9.5 | -179.4 | -74.2 | -82 | 0 | 0 | 0 | 114.6 | P197 R199 H361 H404 G420 | P197-H406 HydrophobicContact CB-CB 3.86Å; P197-H406 WeakPolarHBondContact CB-CD2 3.22Å; P197-H406 WeakPolarHBondContact CB-NE2 3.42Å; R199-H406 WeakPolarHBondContact CG-O 3.29Å; R199-H406 PolarHBondContact NE-O 3.2Å; H361-H406 PolarHBondContact CD2-O 2.77Å; H361-H406 VanDerWaalsContact CE1-C 3.41Å; H361-H406 WeakPolarHBondContact CE1-CA 3.4Å; H361-H406 PolarHBondContact CE1-O 3.17Å; H361-H406 VanDerWaalsContact CE1-O 3.28Å; H361-H406 PolarHBondContact NE2-O 3.04Å; H404-H406 PolarHBondContact O-CD2 3.13Å; H406-G420 PolarHBondContact N-O 3.19Å |
| 407 | G | 93.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 8% | 0.082 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 142.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | G420 | G407-G420 PolarHBondContact N-O 2.76Å; G407-G420 VanDerWaalsContact N-O 3.14Å; G407-G420 PolarHBondContact O-N 3.06Å |
| 408 | L | 95.8 | Very high | 94.2 | Very high | 19 Ų | 19 | 37.2 Ų | 37.2 | 10% | 0.099 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 128.5 | 177.8 | -69.7 | 167.5 | 0 | 0 | 0 | 108.4 | H361 A363 V371 G373 V378 V405 V419 | H361-L408 HydrophobicContact CB-CB 4.37Å; H361-L408 HydrophobicContact CB-CD1 3.77Å; H361-L408 HydrophobicContact CB-CG 4.1Å; H361-L408 WeakPolarHBondContact O-CD1 3.46Å; A363-L408 HydrophobicContact CB-CB 4.31Å; V371-L408 HydrophobicContact CG1-CB 3.97Å; V371-L408 HydrophobicContact CG1-CD1 3.42Å; V371-L408 VanDerWaalsContact CG1-CD1 3.42Å; V371-L408 HydrophobicContact CG1-CD2 3.93Å; V371-L408 HydrophobicContact CG1-CG 3.96Å; G373-L408 VanDerWaalsContact N-CD1 3.25Å; V378-L408 HydrophobicContact CG1-CD2 4.49Å; V378-L408 HydrophobicContact CG2-CD2 4.19Å; V405-L408 HydrophobicContact CG1-CD1 3.88Å; V405-L408 HydrophobicContact CG1-CD2 3.72Å; V405-L408 HydrophobicContact CG1-CG 3.57Å; L408-V419 HydrophobicContact CD2-CB 3.99Å; L408-V419 HydrophobicContact CD2-CG1 3.54Å; L408-V419 HydrophobicContact CD2-CG2 3.62Å |
| 409 | Q | 95.8 | Very high | 94.3 | Very high | 51 Ų | 51 | 35 Ų | 35 | 24% | 0.238 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 133.4 | 171.2 | -164.3 | -178.8 | -2.9 | 0 | 0 | 110.2 | L200 Y202 G418 | L200-Q409 HydrophobicContact CD1-CB 3.68Å; L200-Q409 HydrophobicContact CG-CB 4.42Å; Y202-Q409 HydrophobicContact CD2-CB 4.2Å; Y202-Q409 HydrophobicContact CD2-CG 4.27Å; Q409-G418 PolarHBondContact N-O 3.49Å; Q409-G418 VanDerWaalsContact N-O 3.08Å; Q409-G418 PolarHBondContact O-N 2.7Å |
| 410 | F | 96.4 | Very high | 94.4 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 141 | 169 | -71 | -79.6 | 0 | 0 | 0 | 110.3 | A363 F364 L369 V371 P412 L417 V430 A433 | A363-F410 HydrophobicContact CB-CD2 4.23Å; A363-F410 HydrophobicContact CB-CE2 4.45Å; F364-F410 VanDerWaalsContact C-CD2 3.46Å; F364-F410 WeakPolarHBondContact O-CD2 3.27Å; L369-F410 HydrophobicContact CB-CZ 4.19Å; V371-F410 HydrophobicContact CB-CE2 3.83Å; V371-F410 HydrophobicContact CB-CZ 3.88Å; V371-F410 HydrophobicContact CG2-CE1 4.15Å; V371-F410 HydrophobicContact CG2-CE2 3.83Å; V371-F410 HydrophobicContact CG2-CZ 3.33Å; F410-P412 WeakPolarHBondContact O-CD 3.44Å; F410-L417 HydrophobicContact CD1-CB 4.16Å; F410-L417 HydrophobicContact CD1-CD1 3.87Å; F410-L417 HydrophobicContact CD2-CD1 4.24Å; F410-L417 HydrophobicContact CE1-CB 4.18Å; F410-L417 HydrophobicContact CE1-CD1 3.93Å; F410-L417 HydrophobicContact CE2-CD1 4.3Å; F410-L417 HydrophobicContact CG-CD1 4.06Å; F410-L417 HydrophobicContact CZ-CD1 4.17Å; F410-V430 HydrophobicContact CE1-CB 4.37Å; F410-V430 HydrophobicContact CE1-CG1 4.25Å; F410-V430 HydrophobicContact CE1-CG2 4.48Å; F410-A433 HydrophobicContact CD1-CB 3.63Å; F410-A433 HydrophobicContact CE1-CB 3.65Å |
| 411 | C | 95.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -69.1 | 129.5 | 167.8 | -171 | 0 | 0 | 0 | 0 | 108.9 | Y202 G206 W223 E414 V416 | Y202-C411 HydrophobicContact CD1-CB 4.43Å; Y202-C411 HydrophobicContact CD2-CB 4.4Å; Y202-C411 HydrophobicContact CE1-CB 4.23Å; Y202-C411 HydrophobicContact CE2-CB 4.2Å; G206-C411 PolarHBondContact O-SG 2.8Å; W223-C411 HydrophobicContact CZ2-CB 4.27Å; W223-C411 WeakPolarHBondContact CZ2-SG 3.47Å; C411-E414 HydrophobicContact CB-CB 4.46Å; C411-E414 VanDerWaalsContact O-O 3.09Å; C411-V416 HydrophobicContact CB-CB 3.95Å; C411-V416 HydrophobicContact CB-CG1 4.45Å; C411-V416 PolarHBondContact N-O 3.22Å |
| 412 | P | 93.7 | Very high | 94.5 | Very high | 18 Ų | 18 | 26.2 Ų | 26.2 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 139.7 | 168.7 | -25 | 35.5 | 0 | 0 | 0 | 111.2 | R204 F410 E414 | R204-P412 WeakPolarHBondContact O-CB 3.48Å; F410-P412 WeakPolarHBondContact O-CD 3.44Å; P412-E414 PolarHBondContact O-N 3.03Å |
| 413 | F | 93.1 | Very high | 94.7 | Very high | 31 Ų | 31 | 22.2 Ų | 22.2 | 14% | 0.136 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | -1.9 | 174.7 | -44.7 | -68 | 0 | 0 | 0 | 117.2 | R204 A434 E435 F438 N443 P445 | R204-F413 WeakPolarHBondContact O-CE2 3.47Å; F413-A434 VanDerWaalsContact C-CB 3.49Å; F413-E435 WeakPolarHBondContact CA-O 3.21Å; F413-F438 HydrophobicContact CD1-CB 3.49Å; F413-F438 VanDerWaalsContact CD1-CB 3.49Å; F413-F438 HydrophobicContact CE1-CB 3.54Å; F413-F438 HydrophobicContact CG-CB 4.05Å; F413-F438 HydrophobicContact CZ-CB 4.16Å; F413-N443 HydrophobicContact CE2-CB 3.85Å; F413-N443 HydrophobicContact CZ-CB 3.66Å; F413-P445 HydrophobicContact CB-CG 4.2Å; F413-P445 HydrophobicContact CD2-CG 3.78Å; F413-P445 HydrophobicContact CG-CG 4.17Å |
| 414 | E | 94.1 | Very high | 94.9 | Very high | 25 Ų | 25 | 21.7 Ų | 21.7 | 12% | 0.117 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -130.6 | 144.9 | 176.4 | -58 | -157.1 | 163 | 0 | 0 | 111.9 | K186 W223 C411 P412 V416 A434 | K186-E414 WeakPolarHBondContact CD-OE2 3.3Å; K186-E414 WeakPolarHBondContact CE-OE2 3.36Å; K186-E414 IonicContact NZ-OE1 2.84Å; K186-E414 PolarHBondContact NZ-OE1 2.8Å; K186-E414 IonicContact NZ-OE2 3.26Å; K186-E414 PolarHBondContact NZ-OE2 2.83Å; W223-E414 WeakPolarHBondContact CH2-OE2 3.27Å; W223-E414 WeakPolarHBondContact CZ2-OE2 3.33Å; C411-E414 HydrophobicContact CB-CB 4.46Å; C411-E414 VanDerWaalsContact O-O 3.09Å; P412-E414 PolarHBondContact O-N 3.03Å; E414-V416 HydrophobicContact CB-CG2 4.31Å; E414-V416 PolarHBondContact O-N 3.41Å; E414-A434 WeakPolarHBondContact O-CB 3.33Å |
| 415 | D | 95.2 | Very high | 95 | Very high | 46 Ų | 46 | 16.3 Ų | 16.3 | 25% | 0.246 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -73.9 | 55.2 | -178.1 | -82 | -10 | 0 | 0 | 0 | 112.9 | V430 G432 A433 A434 | D415-V430 VanDerWaalsContact CB-O 3.3Å; D415-V430 WeakPolarHBondContact CB-O 3.32Å; D415-V430 PolarHBondContact O-N 3.01Å; D415-G432 PolarHBondContact OD1-N 3.45Å; D415-G432 PolarHBondContact OD2-N 2.81Å; D415-A433 PolarHBondContact OD1-N 3.44Å; D415-A434 PolarHBondContact OD1-N 3.4Å |
| 416 | V | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.1 | -173.6 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | K186 W223 C411 E414 S427 M428 L429 | K186-V416 HydrophobicContact CB-CG2 4.19Å; K186-V416 HydrophobicContact CD-CG2 4.32Å; W223-V416 HydrophobicContact CH2-CB 4.26Å; W223-V416 HydrophobicContact CH2-CG1 4.31Å; W223-V416 HydrophobicContact CH2-CG2 3.9Å; W223-V416 HydrophobicContact CZ3-CG1 4.27Å; W223-V416 HydrophobicContact CZ3-CG2 4.28Å; C411-V416 HydrophobicContact CB-CB 3.95Å; C411-V416 HydrophobicContact CB-CG1 4.45Å; C411-V416 PolarHBondContact N-O 3.22Å; E414-V416 HydrophobicContact CB-CG2 4.31Å; E414-V416 PolarHBondContact O-N 3.41Å; V416-S427 WeakPolarHBondContact CG1-OG 3.34Å; V416-M428 CarbonylContact C-O 3.58Å; V416-M428 VanDerWaalsContact CA-O 3.32Å; V416-M428 WeakPolarHBondContact CA-O 3.46Å; V416-L429 HydrophobicContact CG2-CD2 4.09Å |
| 417 | L | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 117.2 | 168.4 | 177.9 | 68.1 | 0 | 0 | 0 | 109.3 | V371 V378 I380 F410 V419 M428 V430 | V371-L417 HydrophobicContact CB-CD1 4.49Å; V371-L417 HydrophobicContact CG1-CD1 4.2Å; V371-L417 HydrophobicContact CG1-CD2 4.22Å; V371-L417 HydrophobicContact CG2-CD1 4.08Å; V371-L417 HydrophobicContact CG2-CD2 3.62Å; V371-L417 HydrophobicContact CG2-CG 4.49Å; V378-L417 HydrophobicContact CG1-CD2 3.93Å; I380-L417 HydrophobicContact CD1-CD2 4.2Å; F410-L417 HydrophobicContact CD1-CB 4.16Å; F410-L417 HydrophobicContact CD1-CD1 3.87Å; F410-L417 HydrophobicContact CD2-CD1 4.24Å; F410-L417 HydrophobicContact CE1-CB 4.18Å; F410-L417 HydrophobicContact CE1-CD1 3.93Å; F410-L417 HydrophobicContact CE2-CD1 4.3Å; F410-L417 HydrophobicContact CG-CD1 4.06Å; F410-L417 HydrophobicContact CZ-CD1 4.17Å; L417-V419 HydrophobicContact CD2-CG2 3.89Å; L417-V419 HydrophobicContact CG-CG2 3.87Å; L417-M428 PolarHBondContact N-O 2.87Å; L417-M428 PolarHBondContact O-N 2.86Å; L417-V430 HydrophobicContact CB-CG2 3.63Å; L417-V430 HydrophobicContact CD2-CG2 4.37Å |
| 418 | G | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 127.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q409 | Q409-G418 PolarHBondContact N-O 3.49Å; Q409-G418 VanDerWaalsContact N-O 3.08Å; Q409-G418 PolarHBondContact O-N 2.7Å |
| 419 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.1 | 175.2 | -169.9 | 0 | 0 | 0 | 0 | 110.1 | V378 L401 V405 L408 L417 F425 T426 M428 | V378-V419 HydrophobicContact CG2-CG1 4.4Å; V378-V419 HydrophobicContact CG2-CG2 4.47Å; L401-V419 HydrophobicContact CD1-CB 4Å; L401-V419 HydrophobicContact CD1-CG1 3.36Å; L401-V419 HydrophobicContact CD1-CG2 4.31Å; V405-V419 HydrophobicContact CB-CG1 4.38Å; V405-V419 HydrophobicContact CG1-CG1 3.79Å; V405-V419 HydrophobicContact CG2-CG1 3.84Å; L408-V419 HydrophobicContact CD2-CB 3.99Å; L408-V419 HydrophobicContact CD2-CG1 3.54Å; L408-V419 HydrophobicContact CD2-CG2 3.62Å; L417-V419 HydrophobicContact CD2-CG2 3.89Å; L417-V419 HydrophobicContact CG-CG2 3.87Å; V419-F425 WeakPolarHBondContact O-CA 3.43Å; V419-F425 WeakPolarHBondContact O-CD2 3.35Å; V419-T426 WeakPolarHBondContact CB-OG1 3.15Å; V419-T426 PolarHBondContact N-O 3.39Å; V419-T426 PolarHBondContact O-N 3.05Å; V419-T426 PolarHBondContact O-OG1 3.01Å; V419-M428 HydrophobicContact CG2-SD 4.15Å |
| 420 | G | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y198 H406 G407 | Y198-G420 CarbonylContact O-C 3.49Å; Y198-G420 VanDerWaalsContact O-CA 3.3Å; Y198-G420 WeakPolarHBondContact O-CA 3.48Å; H406-G420 PolarHBondContact N-O 3.19Å; G407-G420 PolarHBondContact N-O 2.76Å; G407-G420 VanDerWaalsContact N-O 3.14Å; G407-G420 PolarHBondContact O-N 3.06Å |
| 421 | H | 95.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.009 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 175.3 | -178.6 | 58.6 | 97.3 | 0 | 0 | 0 | 111 | Y198 S402 H404 G423 G424 F425 T426 | Y198-H421 PolarHBondContact N-O 3.37Å; S402-H421 PolarHBondContact OG-CE1 2.84Å; H404-H421 CarbonylContact O-C 3.51Å; H404-H421 WeakPolarHBondContact O-CA 3.5Å; H404-H421 VanDerWaalsContact O-CB 3.31Å; H404-H421 WeakPolarHBondContact O-CB 3.25Å; H421-G423 PolarHBondContact ND1-N 3.22Å; H421-G423 PolarHBondContact O-N 2.78Å; H421-G424 PolarHBondContact CD2-O 2.91Å; H421-G424 PolarHBondContact CE1-N 3.25Å; H421-G424 PolarHBondContact N-O 3.44Å; H421-G424 PolarHBondContact O-N 2.99Å; H421-F425 PolarHBondContact NE2-N 3.31Å; H421-T426 WeakPolarHBondContact NE2-CG2 3.37Å |
| 422 | S | 93.6 | Very high | 95 | Very high | 46 Ų | 46 | 10.2 Ų | 10.2 | 32% | 0.322 | 6% | 0.062 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28.7 | -179.9 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | H404 | H404-S422 PolarHBondContact N-OG 2.71Å; H404-S422 PolarHBondContact O-N 3.03Å |
| 423 | G | 90.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 9.4 Ų | 9.4 | 12% | 0.124 | 6% | 0.057 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -6.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | L192 H421 | L192-G423 CarbonylContact C-O 3.54Å; L192-G423 PolarHBondContact N-O 3.43Å; H421-G423 PolarHBondContact ND1-N 3.22Å; H421-G423 PolarHBondContact O-N 2.78Å |
| 424 | G | 94 | Very high | 94.8 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.2 | -131.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L190 H421 | L190-G424 WeakPolarHBondContact O-CA 3.34Å; H421-G424 PolarHBondContact CD2-O 2.91Å; H421-G424 PolarHBondContact CE1-N 3.25Å; H421-G424 PolarHBondContact N-O 3.44Å; H421-G424 PolarHBondContact O-N 2.99Å |
| 425 | F | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.4 | -175.1 | 168.8 | -96.7 | 0 | 0 | 0 | 110.7 | F188 D189 L190 L200 L209 L211 V419 H421 | F188-F425 HydrophobicContact CE2-CD1 4.28Å; F188-F425 HydrophobicContact CE2-CE1 4.02Å; F188-F425 HydrophobicContact CZ-CE1 4.13Å; D189-F425 CarbonylContact C-O 3.52Å; D189-F425 WeakPolarHBondContact CA-O 3.43Å; L190-F425 HydrophobicContact CB-CB 4.3Å; L190-F425 HydrophobicContact CD1-CB 4.48Å; L190-F425 HydrophobicContact CD1-CD1 3.92Å; L190-F425 HydrophobicContact CG-CD1 4.18Å; L190-F425 PolarHBondContact N-O 3.26Å; L190-F425 PolarHBondContact O-N 3.4Å; L200-F425 HydrophobicContact CB-CD2 4.44Å; L200-F425 HydrophobicContact CB-CE2 4.36Å; L200-F425 HydrophobicContact CD1-CE2 4.14Å; L200-F425 HydrophobicContact CD2-CD2 4.21Å; L200-F425 HydrophobicContact CD2-CE2 4.15Å; L200-F425 HydrophobicContact CG-CE2 4.45Å; L209-F425 HydrophobicContact CD1-CE2 4.45Å; L209-F425 HydrophobicContact CD2-CD1 4.3Å; L209-F425 HydrophobicContact CD2-CE1 3.66Å; L209-F425 HydrophobicContact CD2-CE2 3.98Å; L209-F425 HydrophobicContact CD2-CZ 3.48Å; L209-F425 VanDerWaalsContact CD2-CZ 3.48Å; L211-F425 HydrophobicContact CD1-CB 4.24Å; L211-F425 HydrophobicContact CD1-CG 4.36Å; L211-F425 HydrophobicContact CD2-CB 4.09Å; L211-F425 HydrophobicContact CD2-CD2 3.69Å; L211-F425 HydrophobicContact CD2-CE2 4.29Å; L211-F425 HydrophobicContact CD2-CG 3.89Å; V419-F425 WeakPolarHBondContact O-CA 3.43Å; V419-F425 WeakPolarHBondContact O-CD2 3.35Å; H421-F425 PolarHBondContact NE2-N 3.31Å |
| 426 | T | 96.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 8.7 Ų | 8.7 | 1% | 0.012 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.7 | 173 | 59.1 | 0 | 0 | 0 | 0 | 109.5 | D189 L401 V419 H421 | D189-T426 HydrophobicContact CB-CG2 4.28Å; D189-T426 VanDerWaalsContact CG-CG2 3.45Å; D189-T426 WeakPolarHBondContact OD1-CA 3.43Å; D189-T426 WeakPolarHBondContact OD1-CB 2.99Å; D189-T426 WeakPolarHBondContact OD1-CG2 3.48Å; L401-T426 HydrophobicContact CD2-CG2 3.98Å; L401-T426 WeakPolarHBondContact CD2-OG1 3.44Å; V419-T426 WeakPolarHBondContact CB-OG1 3.15Å; V419-T426 PolarHBondContact N-O 3.39Å; V419-T426 PolarHBondContact O-N 3.05Å; V419-T426 PolarHBondContact O-OG1 3.01Å; H421-T426 WeakPolarHBondContact NE2-CG2 3.37Å |
| 427 | S | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.065 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 113.6 | 169.7 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | K186 H187 F188 V416 | K186-S427 VanDerWaalsContact O-CB 3.31Å; K186-S427 WeakPolarHBondContact O-CB 3.44Å; K186-S427 PolarHBondContact O-OG 3.49Å; H187-S427 WeakPolarHBondContact CA-O 3.47Å; H187-S427 PolarHBondContact ND1-O 3.41Å; F188-S427 PolarHBondContact N-O 3.39Å; F188-S427 PolarHBondContact O-N 3.26Å; V416-S427 WeakPolarHBondContact CG1-OG 3.34Å |
| 428 | M | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 149.5 | -177.3 | -68.4 | 173.7 | 49.4 | 0 | 0 | 112 | Q172 L397 H399 L401 V416 L417 V419 | Q172-M428 HydrophobicContact CG-CE 3.88Å; Q172-M428 HydrophobicContact CG-CG 4.48Å; L397-M428 HydrophobicContact CD2-CE 4.34Å; H399-M428 HydrophobicContact CB-CE 3.25Å; H399-M428 HydrophobicContact CB-SD 4.23Å; H399-M428 WeakPolarHBondContact ND1-CE 3.47Å; H399-M428 PolarHBondContact ND1-SD 3.08Å; L401-M428 HydrophobicContact CD2-SD 3.86Å; V416-M428 CarbonylContact C-O 3.58Å; V416-M428 VanDerWaalsContact CA-O 3.32Å; V416-M428 WeakPolarHBondContact CA-O 3.46Å; L417-M428 PolarHBondContact N-O 2.87Å; L417-M428 PolarHBondContact O-N 2.86Å; V419-M428 HydrophobicContact CG2-SD 4.15Å |
| 429 | L | 96.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 18.1 Ų | 18.1 | 5% | 0.047 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130.4 | 175.3 | -61 | 178.8 | 0 | 0 | 0 | 110.6 | Q172 I175 V176 K186 H187 V416 | Q172-L429 PolarHBondContact NE2-O 2.87Å; Q172-L429 PolarHBondContact OE1-O 3.3Å; I175-L429 HydrophobicContact CG2-CB 3.95Å; I175-L429 HydrophobicContact CG2-CD1 4.15Å; V176-L429 HydrophobicContact CG2-CD1 3.96Å; K186-L429 HydrophobicContact CB-CD2 4.38Å; H187-L429 HydrophobicContact CB-CD1 4.33Å; H187-L429 HydrophobicContact CB-CG 4.13Å; V416-L429 HydrophobicContact CG2-CD2 4.09Å |
| 430 | V | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -133.4 | 92.4 | 175.4 | -175.4 | 0 | 0 | 0 | 0 | 107.7 | L369 I380 Y396 F410 D415 L417 G432 A433 | L369-V430 HydrophobicContact CD1-CG1 3.75Å; I380-V430 HydrophobicContact CD1-CB 4.15Å; I380-V430 HydrophobicContact CD1-CG1 3.58Å; I380-V430 HydrophobicContact CD1-CG2 3.38Å; I380-V430 HydrophobicContact CG2-CG1 4.25Å; Y396-V430 HydrophobicContact CE1-CG1 4.27Å; F410-V430 HydrophobicContact CE1-CB 4.37Å; F410-V430 HydrophobicContact CE1-CG1 4.25Å; F410-V430 HydrophobicContact CE1-CG2 4.48Å; D415-V430 VanDerWaalsContact CB-O 3.3Å; D415-V430 WeakPolarHBondContact CB-O 3.32Å; D415-V430 PolarHBondContact O-N 3.01Å; L417-V430 HydrophobicContact CB-CG2 3.63Å; L417-V430 HydrophobicContact CD2-CG2 4.37Å; V430-G432 PolarHBondContact O-N 3.47Å; V430-A433 HydrophobicContact CB-CB 4.07Å; V430-A433 HydrophobicContact CG1-CB 4.03Å; V430-A433 VanDerWaalsContact O-CB 3.26Å; V430-A433 WeakPolarHBondContact O-CB 3.44Å; V430-A433 PolarHBondContact O-N 3.12Å | ||
| 431 | P | 94.2 | Very high | 93 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 135.8 | 178.4 | -26.5 | 35.4 | 0 | 0 | 0 | 111.5 | L159 I175 Y396 A433 | L159-P431 HydrophobicContact CB-CB 4.26Å; L159-P431 HydrophobicContact CB-CG 4.41Å; I175-P431 HydrophobicContact CG2-CG 4.32Å; Y396-P431 WeakPolarHBondContact CE1-O 3.36Å; Y396-P431 PolarHBondContact OH-O 3.39Å; P431-A433 VanDerWaalsContact C-N 3.32Å; P431-A433 PolarHBondContact O-N 2.93Å |
| 432 | G | 90.7 | Very high | 92.6 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 5% | 0.052 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 13.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G157 R367 D415 V430 | G157-G432 WeakPolarHBondContact O-CA 3.31Å; G157-G432 PolarHBondContact O-N 3.33Å; R367-G432 PolarHBondContact NH1-O 2.91Å; R367-G432 VanDerWaalsContact NH1-O 3.16Å; D415-G432 PolarHBondContact OD1-N 3.45Å; D415-G432 PolarHBondContact OD2-N 2.81Å; V430-G432 PolarHBondContact O-N 3.47Å |
| 433 | A | 92.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | trans | -74 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S365 Q366 R367 L369 F410 D415 V430 P431 | S365-A433 WeakPolarHBondContact CB-O 3.36Å; S365-A433 PolarHBondContact OG-O 3.12Å; Q366-A433 PolarHBondContact N-O 3.33Å; R367-A433 PolarHBondContact N-O 2.85Å; L369-A433 VanDerWaalsContact CD1-CA 3.45Å; L369-A433 HydrophobicContact CD1-CB 3.81Å; F410-A433 HydrophobicContact CD1-CB 3.63Å; F410-A433 HydrophobicContact CE1-CB 3.65Å; D415-A433 PolarHBondContact OD1-N 3.44Å; V430-A433 HydrophobicContact CB-CB 4.07Å; V430-A433 HydrophobicContact CG1-CB 4.03Å; V430-A433 VanDerWaalsContact O-CB 3.26Å; V430-A433 WeakPolarHBondContact O-CB 3.44Å; V430-A433 PolarHBondContact O-N 3.12Å; P431-A433 VanDerWaalsContact C-N 3.32Å; P431-A433 PolarHBondContact O-N 2.93Å | ||
| 434 | A | 91.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -105.5 | 163.3 | -170 | 0 | 0 | 0 | 0 | 0 | 113.6 | R367 F413 E414 D415 P436 | R367-A434 WeakPolarHBondContact CD-O 3.42Å; R367-A434 WeakPolarHBondContact CG-O 3.49Å; F413-A434 VanDerWaalsContact C-CB 3.49Å; E414-A434 WeakPolarHBondContact O-CB 3.33Å; D415-A434 PolarHBondContact OD1-N 3.4Å; A434-P436 WeakPolarHBondContact O-CD 3.32Å |
| 435 | E | 89.6 | Confident | 92.3 | Very high | 63 Ų | 63 | 32.2 Ų | 32.2 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | trans | -85.1 | 114.8 | 172.3 | -177 | 160.6 | -140.4 | 0 | 0 | 108.8 | Q366 K386 F413 | Q366-E435 HydrophobicContact CB-CB 4.11Å; Q366-E435 VanDerWaalsContact OE1-N 3.12Å; K386-E435 IonicContact NZ-OE1 2.71Å; K386-E435 PolarHBondContact NZ-OE1 3.44Å; K386-E435 IonicContact NZ-OE2 2.86Å; K386-E435 PolarHBondContact NZ-OE2 2.58Å; F413-E435 WeakPolarHBondContact CA-O 3.21Å | ||
| 436 | P | 90.7 | Very high | 92 | Very high | 21 Ų | 21 | 39.2 Ų | 39.2 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -71.1 | -39.5 | -174.3 | 29.8 | -37.1 | 0 | 0 | 0 | 111.4 | E154 P156 A434 F438 | E154-P436 HydrophobicContact CB-CB 3.77Å; E154-P436 HydrophobicContact CB-CG 4.32Å; P156-P436 HydrophobicContact CB-CG 4.12Å; A434-P436 WeakPolarHBondContact O-CD 3.32Å; P436-F438 PolarHBondContact O-N 3.09Å |
| 437 | N | 92.6 | Very high | 91.8 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 22% | 0.219 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -84.4 | 100.1 | -179.4 | -58.7 | -66.4 | 0 | 0 | 0 | 110.8 | L152 A153 E154 | L152-N437 HydrophobicContact CD2-CB 3.66Å; A153-N437 PolarHBondContact N-OD1 3.31Å; E154-N437 PolarHBondContact N-OD1 3.32Å; E154-N437 PolarHBondContact O-ND2 2.96Å |
| 438 | F | 91.6 | Very high | 91.6 | Very high | 66 Ų | 66 | 44 Ų | 44 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | trans | -88.1 | 149 | 174.2 | 64.6 | -88.6 | 0 | 0 | 0 | 112 | F413 P436 G440 N444 P445 Y446 | F413-F438 HydrophobicContact CD1-CB 3.49Å; F413-F438 VanDerWaalsContact CD1-CB 3.49Å; F413-F438 HydrophobicContact CE1-CB 3.54Å; F413-F438 HydrophobicContact CG-CB 4.05Å; F413-F438 HydrophobicContact CZ-CB 4.16Å; P436-F438 PolarHBondContact O-N 3.09Å; F438-G440 PolarHBondContact O-N 3.23Å; F438-N444 HydrophobicContact CD2-CB 4.37Å; F438-N444 HydrophobicContact CE2-CB 4.16Å; F438-N444 WeakPolarHBondContact CE2-OD1 3.49Å; F438-P445 HydrophobicContact CD1-CG 4.38Å; F438-P445 HydrophobicContact CG-CG 4.42Å; F438-Y446 HydrophobicContact CE1-CD2 4.23Å; F438-Y446 HydrophobicContact CE1-CE2 4.1Å; F438-Y446 AromaticContact CZ-CD2 3.93Å; F438-Y446 HydrophobicContact CZ-CD2 3.93Å; F438-Y446 HydrophobicContact CZ-CE2 4.27Å | ||
| 439 | D | 90.9 | Very high | 91.4 | Very high | 91 Ų | 91 | 53.8 Ų | 53.8 | 49% | 0.487 | 27% | 0.267 | S | S | . | . | trans | -80 | 113.9 | 167.9 | -174.4 | -13.2 | 0 | 0 | 0 | 109.9 | L441 E442 N443 | D439-L441 PolarHBondContact O-N 2.82Å; D439-L441 WeakPolarHBondContact OD1-CB 3.48Å; D439-L441 PolarHBondContact OD1-N 3.1Å; D439-E442 HydrophobicContact CB-CB 4.14Å; D439-E442 PolarHBondContact O-N 2.95Å; D439-N443 CarbonylContact O-C 3.57Å; D439-N443 PolarHBondContact O-N 2.84Å; D439-N443 VanDerWaalsContact O-N 3.1Å | ||
| 440 | G | 88.9 | Confident | 91.3 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 38% | 0.381 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | F438 N444 | F438-G440 PolarHBondContact O-N 3.23Å; G440-N444 WeakPolarHBondContact O-CB 3.32Å |
| 441 | L | 89.1 | Confident | 91.2 | Very high | 133 Ų | 133 | 65 Ų | 65 | 70% | 0.696 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -31.2 | 178.8 | -63.6 | 177.1 | 0 | 0 | 0 | 112.5 | D439 | D439-L441 PolarHBondContact O-N 2.82Å; D439-L441 WeakPolarHBondContact OD1-CB 3.48Å; D439-L441 PolarHBondContact OD1-N 3.1Å |
| 442 | E | 88 | Confident | 91.1 | Very high | 122 Ų | 122 | 69.9 Ų | 69.9 | 57% | 0.57 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | -62.6 | -176.3 | -168 | -170.7 | 171 | 0 | 0 | 112.5 | D439 R447 W455 | D439-E442 HydrophobicContact CB-CB 4.14Å; D439-E442 PolarHBondContact O-N 2.95Å; E442-R447 PolarHBondContact O-NH2 3.23Å; E442-W455 PolarHBondContact O-NE1 3.42Å |
| 443 | N | 89.1 | Confident | 91.3 | Very high | 26 Ų | 26 | 74.2 Ų | 74.2 | 14% | 0.139 | 35% | 0.352 | C | S | . | . | trans | -140 | 95.6 | -175.7 | -75 | -45.4 | 0 | 0 | 0 | 108.9 | F413 D439 | F413-N443 HydrophobicContact CE2-CB 3.85Å; F413-N443 HydrophobicContact CZ-CB 3.66Å; D439-N443 CarbonylContact O-C 3.57Å; D439-N443 PolarHBondContact O-N 2.84Å; D439-N443 VanDerWaalsContact O-N 3.1Å | ||
| 444 | N | 91.4 | Very high | 91.4 | Very high | 22 Ų | 22 | 80.3 Ų | 80.3 | 12% | 0.118 | 38% | 0.38 | C | S | . | . | trans | -104.1 | 118.5 | -179.4 | 178.3 | -5.6 | 0 | 0 | 0 | 110.2 | F438 G440 Y446 R447 | F438-N444 HydrophobicContact CD2-CB 4.37Å; F438-N444 HydrophobicContact CE2-CB 4.16Å; F438-N444 WeakPolarHBondContact CE2-OD1 3.49Å; G440-N444 WeakPolarHBondContact O-CB 3.32Å; N444-Y446 PolarHBondContact O-N 3.19Å; N444-Y446 WeakPolarHBondContact OD1-CA 3.42Å; N444-Y446 PolarHBondContact OD1-N 2.96Å; N444-R447 HydrophobicContact CB-CG 3.73Å; N444-R447 WeakPolarHBondContact O-CG 3.31Å | ||
| 445 | P | 91.2 | Very high | 91.4 | Very high | 17 Ų | 17 | 84 Ų | 84 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.7 | 175.9 | -23.2 | 33.9 | 0 | 0 | 0 | 114.1 | T205 F413 F438 | T205-P445 WeakPolarHBondContact O-CG 3.39Å; F413-P445 HydrophobicContact CB-CG 4.2Å; F413-P445 HydrophobicContact CD2-CG 3.78Å; F413-P445 HydrophobicContact CG-CG 4.17Å; F438-P445 HydrophobicContact CD1-CG 4.38Å; F438-P445 HydrophobicContact CG-CG 4.42Å |
| 446 | Y | 90.1 | Very high | 91.5 | Very high | 146 Ų | 146 | 84.7 Ų | 84.7 | 57% | 0.573 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 28.9 | -171.1 | -54 | -72.7 | 0 | 0 | 0 | 113.5 | F438 N444 S448 | F438-Y446 HydrophobicContact CE1-CD2 4.23Å; F438-Y446 HydrophobicContact CE1-CE2 4.1Å; F438-Y446 AromaticContact CZ-CD2 3.93Å; F438-Y446 HydrophobicContact CZ-CD2 3.93Å; F438-Y446 HydrophobicContact CZ-CE2 4.27Å; N444-Y446 PolarHBondContact O-N 3.19Å; N444-Y446 WeakPolarHBondContact OD1-CA 3.42Å; N444-Y446 PolarHBondContact OD1-N 2.96Å; Y446-S448 PolarHBondContact O-N 3.41Å |
| 447 | R | 90.4 | Very high | 91.7 | Very high | 49 Ų | 49 | 87.7 Ų | 87.7 | 19% | 0.185 | 41% | 0.414 | C | S | . | . | trans | -59.3 | 131.1 | -178.9 | -77.6 | 174 | 178.4 | 168.5 | 4.6 | 112.5 | E442 N444 Q451 R452 W455 | E442-R447 PolarHBondContact O-NH2 3.23Å; N444-R447 HydrophobicContact CB-CG 3.73Å; N444-R447 WeakPolarHBondContact O-CG 3.31Å; R447-Q451 HydrophobicContact CG-CB 4.48Å; R447-R452 HydrophobicContact CB-CB 4.48Å; R447-W455 VanDerWaalsContact NH1-CE2 3.25Å; R447-W455 VanDerWaalsContact NH1-CE3 3.28Å; R447-W455 VanDerWaalsContact NH2-NE1 3.12Å | ||
| 448 | S | 92.9 | Very high | 91.8 | Very high | 55 Ų | 55 | 90.2 Ų | 90.2 | 39% | 0.385 | 42% | 0.423 | S | S | . | . | trans | -67.9 | 162.5 | 162.4 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | Y446 K450 Q451 R452 | Y446-S448 PolarHBondContact O-N 3.41Å; S448-K450 PolarHBondContact O-N 3.06Å; S448-Q451 PolarHBondContact O-N 3.1Å; S448-Q451 WeakPolarHBondContact OG-CG 3.49Å; S448-Q451 PolarHBondContact OG-N 2.86Å; S448-Q451 PolarHBondContact OG-OE1 2.95Å; S448-R452 WeakPolarHBondContact O-CB 3.5Å; S448-R452 PolarHBondContact O-N 2.76Å | ||
| 449 | R | 91.8 | Very high | 91.8 | Very high | 205 Ų | 205 | 88.9 Ų | 88.9 | 77% | 0.774 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -56.5 | -38.3 | 176 | -172.4 | 177 | 178.5 | -178.5 | 0.7 | 112.7 | Q453 | R449-Q453 WeakPolarHBondContact O-CG 3.29Å; R449-Q453 PolarHBondContact O-N 3.35Å; R449-Q453 VanDerWaalsContact O-N 3.13Å |
| 450 | K | 94.9 | Very high | 91.8 | Very high | 155 Ų | 155 | 89.7 Ų | 89.7 | 67% | 0.674 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -67.8 | -50.1 | 178.3 | -68.2 | -174.4 | 178.6 | -176.8 | 0 | 111.7 | S448 R452 Q453 E454 | S448-K450 PolarHBondContact O-N 3.06Å; K450-R452 PolarHBondContact O-N 2.83Å; K450-Q453 WeakPolarHBondContact O-CB 3.37Å; K450-Q453 PolarHBondContact O-N 2.82Å; K450-Q453 VanDerWaalsContact O-N 3.1Å; K450-E454 WeakPolarHBondContact O-CG 3.15Å; K450-E454 PolarHBondContact O-N 3.17Å |
| 451 | Q | 93.7 | Very high | 92.1 | Very high | 91 Ų | 91 | 94.7 Ų | 94.7 | 43% | 0.425 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60 | -36.4 | 177.1 | -72.9 | 166.9 | -25.6 | 0 | 0 | 112 | R447 S448 W455 | R447-Q451 HydrophobicContact CG-CB 4.48Å; S448-Q451 PolarHBondContact O-N 3.1Å; S448-Q451 WeakPolarHBondContact OG-CG 3.49Å; S448-Q451 PolarHBondContact OG-N 2.86Å; S448-Q451 PolarHBondContact OG-OE1 2.95Å; Q451-W455 WeakPolarHBondContact O-CB 3.3Å; Q451-W455 PolarHBondContact O-N 2.99Å |
| 452 | R | 92.3 | Very high | 92.3 | Very high | 119 Ų | 119 | 94.4 Ų | 94.4 | 45% | 0.449 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.4 | -47.6 | 174.1 | 179 | 177.4 | 172.2 | 168 | 0.4 | 111.6 | R447 S448 K450 W455 E456 | R447-R452 HydrophobicContact CB-CB 4.48Å; S448-R452 WeakPolarHBondContact O-CB 3.5Å; S448-R452 PolarHBondContact O-N 2.76Å; K450-R452 PolarHBondContact O-N 2.83Å; R452-W455 PolarHBondContact O-N 2.93Å; R452-E456 HydrophobicContact CG-CG 4.45Å; R452-E456 WeakPolarHBondContact CG-OE1 3.42Å; R452-E456 IonicContact CZ-OE1 3.56Å; R452-E456 IonicContact NE-OE1 2.71Å; R452-E456 PolarHBondContact NE-OE1 3.35Å; R452-E456 IonicContact NH2-OE1 3.4Å; R452-E456 WeakPolarHBondContact O-CB 3.34Å; R452-E456 VanDerWaalsContact O-CG 3.27Å; R452-E456 WeakPolarHBondContact O-CG 3.35Å; R452-E456 PolarHBondContact O-N 3.46Å |
| 453 | Q | 94.3 | Very high | 92.5 | Very high | 96 Ų | 96 | 92.6 Ų | 92.6 | 45% | 0.449 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 177.7 | -72.2 | 171.7 | -22 | 0 | 0 | 111.9 | R449 K450 W455 E456 V457 | R449-Q453 WeakPolarHBondContact O-CG 3.29Å; R449-Q453 PolarHBondContact O-N 3.35Å; R449-Q453 VanDerWaalsContact O-N 3.13Å; K450-Q453 WeakPolarHBondContact O-CB 3.37Å; K450-Q453 PolarHBondContact O-N 2.82Å; K450-Q453 VanDerWaalsContact O-N 3.1Å; Q453-W455 VanDerWaalsContact C-N 3.32Å; Q453-W455 PolarHBondContact O-N 2.7Å; Q453-E456 PolarHBondContact O-N 2.95Å; Q453-V457 WeakPolarHBondContact O-CG2 3.16Å; Q453-V457 PolarHBondContact O-N 2.87Å |
| 454 | E | 94.1 | Very high | 92.6 | Very high | 129 Ų | 129 | 96.2 Ų | 96.2 | 60% | 0.603 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.1 | -42.4 | 177.5 | -71.3 | 169.3 | -173.5 | 0 | 0 | 111.7 | K450 V457 K458 | K450-E454 WeakPolarHBondContact O-CG 3.15Å; K450-E454 PolarHBondContact O-N 3.17Å; E454-V457 PolarHBondContact O-N 3.15Å; E454-K458 WeakPolarHBondContact O-CB 2.99Å; E454-K458 PolarHBondContact O-N 2.74Å |
| 455 | W | 93 | Very high | 92.5 | Very high | 79 Ų | 79 | 98.5 Ų | 98.5 | 30% | 0.299 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 177.1 | -176.8 | 90.9 | 0 | 0 | 0 | 112.4 | E442 R447 Q451 R452 Q453 V457 K458 A459 | E442-W455 PolarHBondContact O-NE1 3.42Å; R447-W455 VanDerWaalsContact NH1-CE2 3.25Å; R447-W455 VanDerWaalsContact NH1-CE3 3.28Å; R447-W455 VanDerWaalsContact NH2-NE1 3.12Å; Q451-W455 WeakPolarHBondContact O-CB 3.3Å; Q451-W455 PolarHBondContact O-N 2.99Å; R452-W455 PolarHBondContact O-N 2.93Å; Q453-W455 VanDerWaalsContact C-N 3.32Å; Q453-W455 PolarHBondContact O-N 2.7Å; W455-V457 VanDerWaalsContact C-N 3.32Å; W455-V457 PolarHBondContact O-N 2.88Å; W455-K458 PolarHBondContact O-N 3.21Å; W455-A459 HydrophobicContact CD2-CB 4.43Å; W455-A459 HydrophobicContact CE3-CB 4.36Å; W455-A459 HydrophobicContact CH2-CB 4.41Å; W455-A459 HydrophobicContact CZ2-CB 4.47Å; W455-A459 HydrophobicContact CZ3-CB 4.34Å; W455-A459 VanDerWaalsContact O-CB 3.24Å; W455-A459 WeakPolarHBondContact O-CB 3.36Å; W455-A459 PolarHBondContact O-N 3.02Å |
| 456 | E | 91.6 | Very high | 92.5 | Very high | 78 Ų | 78 | 99.2 Ų | 99.2 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 174.6 | -77.1 | 169 | -175.8 | 0 | 0 | 110.6 | R452 Q453 A459 L460 | R452-E456 HydrophobicContact CG-CG 4.45Å; R452-E456 WeakPolarHBondContact CG-OE1 3.42Å; R452-E456 IonicContact CZ-OE1 3.56Å; R452-E456 IonicContact NE-OE1 2.71Å; R452-E456 PolarHBondContact NE-OE1 3.35Å; R452-E456 IonicContact NH2-OE1 3.4Å; R452-E456 WeakPolarHBondContact O-CB 3.34Å; R452-E456 VanDerWaalsContact O-CG 3.27Å; R452-E456 WeakPolarHBondContact O-CG 3.35Å; R452-E456 PolarHBondContact O-N 3.46Å; Q453-E456 PolarHBondContact O-N 2.95Å; E456-A459 PolarHBondContact O-N 3.41Å; E456-L460 VanDerWaalsContact O-CG 3.28Å; E456-L460 WeakPolarHBondContact O-CG 3.49Å; E456-L460 PolarHBondContact O-N 3.49Å; E456-L460 VanDerWaalsContact O-N 3.09Å |
| 457 | V | 94.9 | Very high | 92.5 | Very high | 85 Ų | 85 | 100.2 Ų | 100.2 | 52% | 0.515 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 174.2 | 174 | 0 | 0 | 0 | 0 | 111 | Q453 E454 W455 A459 L460 L461 | Q453-V457 WeakPolarHBondContact O-CG2 3.16Å; Q453-V457 PolarHBondContact O-N 2.87Å; E454-V457 PolarHBondContact O-N 3.15Å; W455-V457 VanDerWaalsContact C-N 3.32Å; W455-V457 PolarHBondContact O-N 2.88Å; V457-A459 PolarHBondContact O-N 3.34Å; V457-L460 PolarHBondContact O-N 2.72Å; V457-L461 HydrophobicContact CG1-CD1 4.01Å; V457-L461 HydrophobicContact CG1-CG 4.45Å; V457-L461 WeakPolarHBondContact O-CG 3.12Å; V457-L461 PolarHBondContact O-N 2.76Å |
| 458 | K | 93.6 | Very high | 92.5 | Very high | 93 Ų | 93 | 101.8 Ų | 101.8 | 40% | 0.404 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 178.5 | -174.9 | -178.8 | 175.6 | -173.6 | 0 | 111.8 | E454 W455 L460 L461 E462 | E454-K458 WeakPolarHBondContact O-CB 2.99Å; E454-K458 PolarHBondContact O-N 2.74Å; W455-K458 PolarHBondContact O-N 3.21Å; K458-L460 VanDerWaalsContact C-N 3.26Å; K458-L460 PolarHBondContact O-N 3.32Å; K458-L461 PolarHBondContact O-N 2.86Å; K458-L461 VanDerWaalsContact O-N 3.16Å; K458-E462 WeakPolarHBondContact CE-OE1 3.37Å; K458-E462 WeakPolarHBondContact CE-OE2 3.31Å; K458-E462 HydrophobicContact CG-CG 4.38Å; K458-E462 IonicContact NZ-OE1 3.73Å; K458-E462 WeakPolarHBondContact O-CB 3.25Å; K458-E462 PolarHBondContact O-N 2.75Å |
| 459 | A | 91.4 | Very high | 92.4 | Very high | 39 Ų | 39 | 100.7 Ų | 100.7 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.8 | -31.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | W455 E456 V457 K463 | W455-A459 HydrophobicContact CD2-CB 4.43Å; W455-A459 HydrophobicContact CE3-CB 4.36Å; W455-A459 HydrophobicContact CH2-CB 4.41Å; W455-A459 HydrophobicContact CZ2-CB 4.47Å; W455-A459 HydrophobicContact CZ3-CB 4.34Å; W455-A459 VanDerWaalsContact O-CB 3.24Å; W455-A459 WeakPolarHBondContact O-CB 3.36Å; W455-A459 PolarHBondContact O-N 3.02Å; E456-A459 PolarHBondContact O-N 3.41Å; V457-A459 PolarHBondContact O-N 3.34Å; A459-K463 PolarHBondContact O-N 2.66Å |
| 460 | L | 91.9 | Very high | 92.3 | Very high | 107 Ų | 107 | 92.4 Ų | 92.4 | 56% | 0.56 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -73.9 | -38.3 | 173.5 | -70.6 | 172.7 | 0 | 0 | 0 | 112.4 | E456 V457 K458 K463 | E456-L460 VanDerWaalsContact O-CG 3.28Å; E456-L460 WeakPolarHBondContact O-CG 3.49Å; E456-L460 PolarHBondContact O-N 3.49Å; E456-L460 VanDerWaalsContact O-N 3.09Å; V457-L460 PolarHBondContact O-N 2.72Å; K458-L460 VanDerWaalsContact C-N 3.26Å; K458-L460 PolarHBondContact O-N 3.32Å; L460-K463 VanDerWaalsContact O-CB 3.28Å; L460-K463 WeakPolarHBondContact O-CB 3.28Å |
| 461 | L | 94.3 | Very high | 92.1 | Very high | 143 Ų | 143 | 87.4 Ų | 87.4 | 75% | 0.749 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -70.9 | -38.7 | 177.4 | -69 | 174.2 | 0 | 0 | 0 | 112.5 | V457 K458 K463 | V457-L461 HydrophobicContact CG1-CD1 4.01Å; V457-L461 HydrophobicContact CG1-CG 4.45Å; V457-L461 WeakPolarHBondContact O-CG 3.12Å; V457-L461 PolarHBondContact O-N 2.76Å; K458-L461 PolarHBondContact O-N 2.86Å; K458-L461 VanDerWaalsContact O-N 3.16Å; L461-K463 VanDerWaalsContact C-N 3.26Å; L461-K463 PolarHBondContact O-N 3.48Å |
| 462 | E | 93.4 | Very high | 91.8 | Very high | 127 Ų | 127 | 87.3 Ų | 87.3 | 59% | 0.593 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 14.3 | 178.6 | -65.5 | 179 | 176.5 | 0 | 0 | 112.7 | K458 V464 | K458-E462 WeakPolarHBondContact CE-OE1 3.37Å; K458-E462 WeakPolarHBondContact CE-OE2 3.31Å; K458-E462 HydrophobicContact CG-CG 4.38Å; K458-E462 IonicContact NZ-OE1 3.73Å; K458-E462 WeakPolarHBondContact O-CB 3.25Å; K458-E462 PolarHBondContact O-N 2.75Å; E462-V464 PolarHBondContact O-N 2.75Å |
| 463 | K | 92.1 | Very high | 91.6 | Very high | 84 Ų | 84 | 83.6 Ų | 83.6 | 37% | 0.365 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 121.8 | -177.6 | -179.2 | -177.2 | 165.3 | -160.5 | 0 | 110.8 | D258 S260 A459 L460 L461 | D258-K463 IonicContact OD1-NZ 2.63Å; D258-K463 PolarHBondContact OD1-NZ 3.46Å; D258-K463 IonicContact OD2-NZ 3.6Å; D258-K463 PolarHBondContact OD2-NZ 2.92Å; S260-K463 PolarHBondContact OG-NZ 2.94Å; A459-K463 PolarHBondContact O-N 2.66Å; L460-K463 VanDerWaalsContact O-CB 3.28Å; L460-K463 WeakPolarHBondContact O-CB 3.28Å; L461-K463 VanDerWaalsContact C-N 3.26Å; L461-K463 PolarHBondContact O-N 3.48Å |
| 464 | V | 90.7 | Very high | 91.2 | Very high | 101 Ų | 101 | 86.1 Ų | 86.1 | 61% | 0.612 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 128.1 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 110 | E462 L468 | E462-V464 PolarHBondContact O-N 2.75Å; V464-L468 HydrophobicContact CG1-CB 3.99Å; V464-L468 HydrophobicContact CG1-CD1 4.14Å |
| 465 | P | 90.6 | Very high | 90.6 | Very high | 71 Ų | 71 | 82 Ų | 82 | 46% | 0.461 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -67 | 148.3 | 174.1 | 26.7 | -35.1 | 0 | 0 | 0 | 111.8 | E467 L468 | P465-E467 PolarHBondContact O-N 2.76Å; P465-L468 HydrophobicContact CG-CD1 3.55Å; P465-L468 HydrophobicContact CG-CG 3.83Å; P465-L468 PolarHBondContact O-N 3.22Å; P465-L468 VanDerWaalsContact O-N 3.16Å |
| 466 | A | 90.5 | Very high | 90.2 | Very high | 32 Ų | 32 | 82.8 Ų | 82.8 | 26% | 0.264 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -61.7 | -28.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V265 P301 L468 I469 | V265-A466 HydrophobicContact CG1-CB 3.86Å; P301-A466 HydrophobicContact CB-CB 4.28Å; P301-A466 HydrophobicContact CG-CB 3.87Å; P301-A466 WeakPolarHBondContact CG-O 3.32Å; A466-L468 PolarHBondContact O-N 3.37Å; A466-I469 WeakPolarHBondContact O-CB 3.15Å; A466-I469 PolarHBondContact O-N 3.47Å |
| 467 | E | 89.7 | Confident | 89.8 | Confident | 167 Ų | 167 | 83.5 Ų | 83.5 | 78% | 0.78 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -64.6 | -24.2 | 179.3 | -63 | 178.2 | 179 | 0 | 0 | 113.3 | P465 I469 | P465-E467 PolarHBondContact O-N 2.76Å; E467-I469 VanDerWaalsContact C-N 3.25Å; E467-I469 PolarHBondContact O-N 2.91Å |
| 468 | L | 90.7 | Very high | 89.3 | Confident | 81 Ų | 81 | 86.2 Ų | 86.2 | 42% | 0.424 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -81.5 | -1.5 | 179.5 | -65.1 | 178 | 0 | 0 | 0 | 113.4 | V464 P465 A466 C470 L476 | V464-L468 HydrophobicContact CG1-CB 3.99Å; V464-L468 HydrophobicContact CG1-CD1 4.14Å; P465-L468 HydrophobicContact CG-CD1 3.55Å; P465-L468 HydrophobicContact CG-CG 3.83Å; P465-L468 PolarHBondContact O-N 3.22Å; P465-L468 VanDerWaalsContact O-N 3.16Å; A466-L468 PolarHBondContact O-N 3.37Å; L468-C470 PolarHBondContact O-N 2.99Å; L468-L476 HydrophobicContact CB-CD1 4.18Å; L468-L476 HydrophobicContact CD2-CD1 4.25Å; L468-L476 HydrophobicContact CD2-CD2 4.09Å |
| 469 | I | 91.8 | Very high | 89 | Confident | 33 Ų | 33 | 86.6 Ų | 86.6 | 17% | 0.169 | 48% | 0.475 | C | S | . | . | trans | -77.9 | 111.9 | 179.6 | -63.3 | 173.1 | 0 | 0 | 0 | 109.4 | A285 V286 S300 P301 A466 E467 | A285-I469 HydrophobicContact CB-CD1 4.31Å; A285-I469 HydrophobicContact CB-CG1 4.41Å; A285-I469 HydrophobicContact CB-CG2 4.46Å; V286-I469 HydrophobicContact CG2-CG2 4.14Å; S300-I469 WeakPolarHBondContact CB-O 3.47Å; S300-I469 PolarHBondContact OG-O 2.89Å; P301-I469 HydrophobicContact CG-CB 4.32Å; P301-I469 HydrophobicContact CG-CD1 3.82Å; A466-I469 WeakPolarHBondContact O-CB 3.15Å; A466-I469 PolarHBondContact O-N 3.47Å; E467-I469 VanDerWaalsContact C-N 3.25Å; E467-I469 PolarHBondContact O-N 2.91Å | ||
| 470 | C | 90 | Very high | 88.8 | Confident | 30 Ų | 30 | 88.8 Ų | 88.8 | 20% | 0.203 | 48% | 0.481 | C | S | . | . | trans | -137 | 167.4 | -179.8 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | L468 N472 | L468-C470 PolarHBondContact O-N 2.99Å; C470-N472 VanDerWaalsContact C-N 3.32Å; C470-N472 PolarHBondContact O-N 2.8Å; C470-N472 VanDerWaalsContact SG-C 3.53Å; C470-N472 PolarHBondContact SG-O 2.69Å | ||
| 471 | L | 89 | Confident | 88.7 | Confident | 50 Ų | 50 | 87.9 Ų | 87.9 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -60.7 | -42.5 | -178 | -171.8 | 69.7 | 0 | 0 | 0 | 111.9 | N284 L298 L307 F347 | N284-L471 PolarHBondContact ND2-O 3.05Å; L298-L471 HydrophobicContact CD2-CD1 4Å; L307-L471 HydrophobicContact CD1-CB 4.43Å; F347-L471 HydrophobicContact CZ-CD2 4.47Å |
| 472 | N | 88 | Confident | 88.5 | Confident | 89 Ų | 89 | 85.1 Ų | 85.1 | 48% | 0.476 | 47% | 0.469 | S | S | . | . | trans | -117.8 | 104.8 | 178.7 | -73.8 | -28.4 | 0 | 0 | 0 | 109.7 | C470 R474 A475 | C470-N472 VanDerWaalsContact C-N 3.32Å; C470-N472 PolarHBondContact O-N 2.8Å; C470-N472 VanDerWaalsContact SG-C 3.53Å; C470-N472 PolarHBondContact SG-O 2.69Å; N472-R474 PolarHBondContact O-N 3.33Å; N472-R474 VanDerWaalsContact O-N 3.11Å; N472-A475 HydrophobicContact CB-CB 4.15Å; N472-A475 VanDerWaalsContact O-CB 3.25Å; N472-A475 WeakPolarHBondContact O-CB 3Å; N472-A475 PolarHBondContact O-N 3.29Å | ||
| 473 | P | 87.7 | Confident | 88.4 | Confident | 42 Ų | 42 | 81.7 Ų | 81.7 | 27% | 0.273 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -57.1 | -30.2 | -179.7 | -27.4 | 35.2 | 0 | 0 | 0 | 113.9 | Y283 N284 A475 L476 | Y283-P473 HydrophobicContact CD1-CG 4.27Å; Y283-P473 HydrophobicContact CE1-CG 3.94Å; N284-P473 HydrophobicContact CB-CG 3.72Å; P473-A475 VanDerWaalsContact C-N 3.26Å; P473-A475 PolarHBondContact O-N 3.25Å; P473-L476 WeakPolarHBondContact O-CG 3.44Å; P473-L476 PolarHBondContact O-N 2.97Å |
| 474 | R | 85.6 | Confident | 88.3 | Confident | 149 Ų | 149 | 82 Ų | 82 | 56% | 0.562 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -67.9 | -22.9 | 177.2 | -68.7 | 179.5 | 178.8 | 168.4 | -0.9 | 113.6 | N472 L476 A477 | N472-R474 PolarHBondContact O-N 3.33Å; N472-R474 VanDerWaalsContact O-N 3.11Å; R474-L476 PolarHBondContact O-N 3.13Å; R474-A477 PolarHBondContact O-N 3.42Å |
| 475 | A | 83.2 | Confident | 88.2 | Confident | 41 Ų | 41 | 82.2 Ų | 82.2 | 34% | 0.339 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -66.9 | -19 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N472 P473 A477 E478 | N472-A475 HydrophobicContact CB-CB 4.15Å; N472-A475 VanDerWaalsContact O-CB 3.25Å; N472-A475 WeakPolarHBondContact O-CB 3Å; N472-A475 PolarHBondContact O-N 3.29Å; P473-A475 VanDerWaalsContact C-N 3.26Å; P473-A475 PolarHBondContact O-N 3.25Å; A475-A477 PolarHBondContact O-N 3.3Å; A475-E478 WeakPolarHBondContact O-CB 3.43Å; A475-E478 PolarHBondContact O-N 3.43Å |
| 476 | L | 83.2 | Confident | 88.2 | Confident | 96 Ų | 96 | 83.7 Ų | 83.7 | 50% | 0.503 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -63 | -23.7 | 176.1 | -64.4 | 173.1 | 0 | 0 | 0 | 113.2 | L468 P473 R474 | L468-L476 HydrophobicContact CB-CD1 4.18Å; L468-L476 HydrophobicContact CD2-CD1 4.25Å; L468-L476 HydrophobicContact CD2-CD2 4.09Å; P473-L476 WeakPolarHBondContact O-CG 3.44Å; P473-L476 PolarHBondContact O-N 2.97Å; R474-L476 PolarHBondContact O-N 3.13Å |
| 477 | A | 83.6 | Confident | 88.3 | Confident | 94 Ų | 94 | 88.5 Ų | 88.5 | 78% | 0.777 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -87.9 | -9.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | R474 A475 | R474-A477 PolarHBondContact O-N 3.42Å; A475-A477 PolarHBondContact O-N 3.3Å |
| 478 | E | 85.4 | Confident | 88.2 | Confident | 141 Ų | 141 | 84.8 Ų | 84.8 | 66% | 0.659 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -75.3 | 150.6 | 179.4 | -64.9 | -176.7 | 172.2 | 0 | 0 | 110.8 | A475 | A475-E478 WeakPolarHBondContact O-CB 3.43Å; A475-E478 PolarHBondContact O-N 3.43Å |
| 479 | V | 85.9 | Confident | 88.1 | Confident | 101 Ų | 101 | 86.8 Ų | 86.8 | 61% | 0.612 | 46% | 0.458 | S | S | * | . | trans | -82.9 | 132.9 | 179 | -167.4 | 0 | 0 | 0 | 0 | 109.1 | V481 L484 | V479-V481 PolarHBondContact O-N 3.01Å; V479-L484 HydrophobicContact CB-CD1 4.11Å; V479-L484 HydrophobicContact CG1-CD1 3.35Å; V479-L484 HydrophobicContact CG1-CD2 4.23Å; V479-L484 HydrophobicContact CG1-CG 3.69Å | ||
| 480 | D | 87.6 | Confident | 88.1 | Confident | 85 Ų | 85 | 89.4 Ų | 89.4 | 46% | 0.455 | 47% | 0.47 | S | S | . | . | trans | -65.2 | 106.8 | 173.3 | 175.1 | 19.9 | 0 | 0 | 0 | 110.8 | V482 T483 L484 | D480-V482 VanDerWaalsContact C-N 3.26Å; D480-V482 PolarHBondContact O-N 3.45Å; D480-V482 PolarHBondContact OD1-N 3.15Å; D480-T483 WeakPolarHBondContact CB-OG1 3.08Å; D480-T483 VanDerWaalsContact CG-OG1 3.24Å; D480-T483 PolarHBondContact O-OG1 2.95Å; D480-T483 WeakPolarHBondContact OD2-CB 3.16Å; D480-T483 WeakPolarHBondContact OD2-CG2 2.98Å; D480-T483 PolarHBondContact OD2-N 3.24Å; D480-T483 PolarHBondContact OD2-OG1 3.31Å; D480-L484 WeakPolarHBondContact O-CG 3.26Å; D480-L484 PolarHBondContact O-N 2.94Å | ||
| 481 | V | 89.9 | Confident | 88.1 | Confident | 89 Ų | 89 | 95.2 Ų | 95.2 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -33.4 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | V479 L484 E485 | V479-V481 PolarHBondContact O-N 3.01Å; V481-L484 PolarHBondContact O-N 3.1Å; V481-E485 HydrophobicContact CG1-CG 4.25Å; V481-E485 WeakPolarHBondContact O-CB 3.39Å; V481-E485 WeakPolarHBondContact O-CG 3.49Å; V481-E485 PolarHBondContact O-N 2.86Å |
| 482 | V | 89.4 | Confident | 88.1 | Confident | 85 Ų | 85 | 95 Ų | 95 | 52% | 0.515 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68 | -48.8 | -175.6 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | D480 L484 E485 Q486 | D480-V482 VanDerWaalsContact C-N 3.26Å; D480-V482 PolarHBondContact O-N 3.45Å; D480-V482 PolarHBondContact OD1-N 3.15Å; V482-L484 VanDerWaalsContact C-N 3.32Å; V482-L484 PolarHBondContact O-N 3.09Å; V482-E485 PolarHBondContact O-N 2.59Å; V482-Q486 VanDerWaalsContact O-CG 3.32Å; V482-Q486 WeakPolarHBondContact O-CG 3.36Å; V482-Q486 PolarHBondContact O-N 2.81Å |
| 483 | T | 91.8 | Very high | 88.2 | Confident | 54 Ų | 54 | 98.1 Ų | 98.1 | 33% | 0.331 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -33 | 177.1 | 50.8 | 0 | 0 | 0 | 0 | 112.3 | D480 Q486 K487 | D480-T483 WeakPolarHBondContact CB-OG1 3.08Å; D480-T483 VanDerWaalsContact CG-OG1 3.24Å; D480-T483 PolarHBondContact O-OG1 2.95Å; D480-T483 WeakPolarHBondContact OD2-CB 3.16Å; D480-T483 WeakPolarHBondContact OD2-CG2 2.98Å; D480-T483 PolarHBondContact OD2-N 3.24Å; D480-T483 PolarHBondContact OD2-OG1 3.31Å; T483-Q486 PolarHBondContact O-N 3.3Å; T483-K487 WeakPolarHBondContact O-CB 3.31Å; T483-K487 VanDerWaalsContact O-CG 3.31Å; T483-K487 WeakPolarHBondContact O-CG 3.18Å; T483-K487 PolarHBondContact O-N 2.76Å |
| 484 | L | 89.8 | Confident | 88.3 | Confident | 91 Ų | 91 | 105.7 Ų | 105.7 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 171.4 | -78.8 | -173.6 | 0 | 0 | 0 | 112.6 | V479 D480 V481 V482 Q486 K487 K488 | V479-L484 HydrophobicContact CB-CD1 4.11Å; V479-L484 HydrophobicContact CG1-CD1 3.35Å; V479-L484 HydrophobicContact CG1-CD2 4.23Å; V479-L484 HydrophobicContact CG1-CG 3.69Å; D480-L484 WeakPolarHBondContact O-CG 3.26Å; D480-L484 PolarHBondContact O-N 2.94Å; V481-L484 PolarHBondContact O-N 3.1Å; V482-L484 VanDerWaalsContact C-N 3.32Å; V482-L484 PolarHBondContact O-N 3.09Å; L484-Q486 VanDerWaalsContact C-N 3.33Å; L484-K487 PolarHBondContact O-N 2.94Å; L484-K488 WeakPolarHBondContact O-CB 3.04Å; L484-K488 PolarHBondContact O-N 2.95Å |
| 485 | E | 89.5 | Confident | 88.5 | Confident | 106 Ų | 106 | 103.3 Ų | 103.3 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 176.4 | -77.9 | -177 | -176.9 | 0 | 0 | 111.7 | V481 V482 K488 K489 | V481-E485 HydrophobicContact CG1-CG 4.25Å; V481-E485 WeakPolarHBondContact O-CB 3.39Å; V481-E485 WeakPolarHBondContact O-CG 3.49Å; V481-E485 PolarHBondContact O-N 2.86Å; V482-E485 PolarHBondContact O-N 2.59Å; E485-K488 PolarHBondContact O-N 2.81Å; E485-K489 VanDerWaalsContact O-CG 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.39Å; E485-K489 PolarHBondContact O-N 2.97Å |
| 486 | Q | 90.6 | Very high | 88.6 | Confident | 101 Ų | 101 | 104.8 Ų | 104.8 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -51.2 | 174.1 | -73.8 | 171.7 | -9.3 | 0 | 0 | 111.3 | V482 T483 L484 K488 K489 E490 | V482-Q486 VanDerWaalsContact O-CG 3.32Å; V482-Q486 WeakPolarHBondContact O-CG 3.36Å; V482-Q486 PolarHBondContact O-N 2.81Å; T483-Q486 PolarHBondContact O-N 3.3Å; L484-Q486 VanDerWaalsContact C-N 3.33Å; Q486-K488 PolarHBondContact O-N 2.84Å; Q486-K489 WeakPolarHBondContact O-CB 3Å; Q486-K489 PolarHBondContact O-N 2.82Å; Q486-K489 VanDerWaalsContact O-N 3.07Å; Q486-E490 WeakPolarHBondContact O-CG 3.36Å; Q486-E490 PolarHBondContact O-N 3.5Å |
| 487 | K | 91.3 | Very high | 88.5 | Confident | 134 Ų | 134 | 107.5 Ų | 107.5 | 58% | 0.583 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -58.4 | -36.7 | 175.1 | -74.4 | 174.7 | -178.6 | 175 | 0 | 112.1 | T483 L484 R491 | T483-K487 WeakPolarHBondContact O-CB 3.31Å; T483-K487 VanDerWaalsContact O-CG 3.31Å; T483-K487 WeakPolarHBondContact O-CG 3.18Å; T483-K487 PolarHBondContact O-N 2.76Å; L484-K487 PolarHBondContact O-N 2.94Å; K487-R491 VanDerWaalsContact O-CB 3.24Å; K487-R491 WeakPolarHBondContact O-CB 3.16Å; K487-R491 PolarHBondContact O-N 2.87Å |
| 488 | K | 88.3 | Confident | 88.3 | Confident | 89 Ų | 89 | 105.1 Ų | 105.1 | 39% | 0.387 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 175.3 | -171 | 173.2 | 179.1 | 166.9 | 0 | 110.9 | L484 E485 Q486 R491 I492 D500 | L484-K488 WeakPolarHBondContact O-CB 3.04Å; L484-K488 PolarHBondContact O-N 2.95Å; E485-K488 PolarHBondContact O-N 2.81Å; Q486-K488 PolarHBondContact O-N 2.84Å; K488-R491 WeakPolarHBondContact O-CB 3.4Å; K488-R491 PolarHBondContact O-N 3.4Å; K488-I492 HydrophobicContact CG-CD1 4Å; K488-I492 VanDerWaalsContact O-CG1 3.22Å; K488-I492 WeakPolarHBondContact O-CG1 3.47Å; K488-I492 PolarHBondContact O-N 3.19Å; K488-D500 IonicContact NZ-OD2 3.45Å; K488-D500 PolarHBondContact NZ-OD2 3.43Å |
| 489 | K | 89.2 | Confident | 87.8 | Confident | 123 Ų | 123 | 101 Ų | 101 | 54% | 0.535 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 175.6 | -73 | 170.5 | -175.3 | 172.2 | 0 | 111.8 | E485 Q486 R491 I492 E493 | E485-K489 VanDerWaalsContact O-CG 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.39Å; E485-K489 PolarHBondContact O-N 2.97Å; Q486-K489 WeakPolarHBondContact O-CB 3Å; Q486-K489 PolarHBondContact O-N 2.82Å; Q486-K489 VanDerWaalsContact O-N 3.07Å; K489-R491 VanDerWaalsContact C-N 3.25Å; K489-R491 PolarHBondContact O-N 3.25Å; K489-I492 WeakPolarHBondContact O-CB 3.41Å; K489-I492 PolarHBondContact O-N 3.07Å; K489-I492 VanDerWaalsContact O-N 3.08Å; K489-E493 WeakPolarHBondContact O-CG 3.44Å; K489-E493 PolarHBondContact O-N 2.98Å |
| 490 | E | 90.7 | Very high | 87.2 | Confident | 88 Ų | 88 | 101.1 Ų | 101.1 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -38.5 | 176.2 | -70.9 | 177.4 | -164.9 | 0 | 0 | 112 | Q486 E493 R494 | Q486-E490 WeakPolarHBondContact O-CG 3.36Å; Q486-E490 PolarHBondContact O-N 3.5Å; E490-E493 PolarHBondContact O-N 2.97Å; E490-R494 WeakPolarHBondContact O-CG 3.5Å; E490-R494 PolarHBondContact O-N 3.09Å; E490-R494 IonicContact OE2-NH2 3.24Å |
| 491 | R | 89.6 | Confident | 86.6 | Confident | 152 Ų | 152 | 100.1 Ų | 100.1 | 57% | 0.574 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -42.2 | 175.9 | -177.2 | 179.3 | -179.7 | -162.3 | -2.1 | 111.6 | K487 K488 K489 R494 L495 | K487-R491 VanDerWaalsContact O-CB 3.24Å; K487-R491 WeakPolarHBondContact O-CB 3.16Å; K487-R491 PolarHBondContact O-N 2.87Å; K488-R491 WeakPolarHBondContact O-CB 3.4Å; K488-R491 PolarHBondContact O-N 3.4Å; K489-R491 VanDerWaalsContact C-N 3.25Å; K489-R491 PolarHBondContact O-N 3.25Å; R491-R494 PolarHBondContact O-N 2.83Å; R491-L495 HydrophobicContact CG-CD1 3.78Å; R491-L495 HydrophobicContact CG-CG 4.48Å; R491-L495 WeakPolarHBondContact O-CB 3.45Å; R491-L495 VanDerWaalsContact O-CG 3.26Å; R491-L495 WeakPolarHBondContact O-CG 3.49Å; R491-L495 PolarHBondContact O-N 3.31Å |
| 492 | I | 89.7 | Confident | 85.6 | Confident | 46 Ų | 46 | 105.4 Ų | 105.4 | 24% | 0.236 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 176 | -67.4 | 163.4 | 0 | 0 | 0 | 110 | K488 K489 R494 L495 G496 D498 | K488-I492 HydrophobicContact CG-CD1 4Å; K488-I492 VanDerWaalsContact O-CG1 3.22Å; K488-I492 WeakPolarHBondContact O-CG1 3.47Å; K488-I492 PolarHBondContact O-N 3.19Å; K489-I492 WeakPolarHBondContact O-CB 3.41Å; K489-I492 PolarHBondContact O-N 3.07Å; K489-I492 VanDerWaalsContact O-N 3.08Å; I492-R494 PolarHBondContact O-N 3.13Å; I492-L495 PolarHBondContact O-N 2.7Å; I492-G496 PolarHBondContact O-N 3.3Å; I492-D498 HydrophobicContact CD1-CB 3.98Å; I492-D498 HydrophobicContact CG1-CB 3.96Å; I492-D498 HydrophobicContact CG2-CB 4.07Å |
| 493 | E | 89.8 | Confident | 84.8 | Confident | 153 Ų | 153 | 106 Ų | 106 | 72% | 0.715 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.4 | -43.2 | 176.9 | -73.5 | 172.4 | -173.5 | 0 | 0 | 111.9 | K489 E490 L495 G496 | K489-E493 WeakPolarHBondContact O-CG 3.44Å; K489-E493 PolarHBondContact O-N 2.98Å; E490-E493 PolarHBondContact O-N 2.97Å; E493-L495 PolarHBondContact O-N 3.06Å; E493-G496 PolarHBondContact O-N 3.31Å |
| 494 | R | 90.4 | Very high | 83.6 | Confident | 201 Ų | 201 | 107.8 Ų | 107.8 | 76% | 0.758 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.3 | -35.2 | 175.8 | -73.9 | -178.4 | -151.6 | 174 | 8.9 | 113.5 | E490 R491 I492 | E490-R494 WeakPolarHBondContact O-CG 3.5Å; E490-R494 PolarHBondContact O-N 3.09Å; E490-R494 IonicContact OE2-NH2 3.24Å; R491-R494 PolarHBondContact O-N 2.83Å; I492-R494 PolarHBondContact O-N 3.13Å |
| 495 | L | 89.3 | Confident | 82.6 | Confident | 100 Ų | 100 | 112 Ų | 112 | 52% | 0.524 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -85.9 | -16.8 | -178.5 | -69.7 | 171.3 | 0 | 0 | 0 | 112.7 | R491 I492 E493 Y497 | R491-L495 HydrophobicContact CG-CD1 3.78Å; R491-L495 HydrophobicContact CG-CG 4.48Å; R491-L495 WeakPolarHBondContact O-CB 3.45Å; R491-L495 VanDerWaalsContact O-CG 3.26Å; R491-L495 WeakPolarHBondContact O-CG 3.49Å; R491-L495 PolarHBondContact O-N 3.31Å; I492-L495 PolarHBondContact O-N 2.7Å; E493-L495 PolarHBondContact O-N 3.06Å; L495-Y497 PolarHBondContact O-N 2.8Å; L495-Y497 VanDerWaalsContact O-N 3.17Å |
| 496 | G | 85.1 | Confident | 81.7 | Confident | 71 Ų | 71 | 115 Ų | 115 | 73% | 0.732 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.7 | 3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I492 E493 | I492-G496 PolarHBondContact O-N 3.3Å; E493-G496 PolarHBondContact O-N 3.31Å |
| 497 | Y | 82.4 | Confident | 80.4 | Confident | 153 Ų | 153 | 115.2 Ų | 115.2 | 60% | 0.6 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -154.9 | 144.2 | -177.5 | 142.5 | -102 | 0 | 0 | 0 | 109.7 | L495 P499 | L495-Y497 PolarHBondContact O-N 2.8Å; L495-Y497 VanDerWaalsContact O-N 3.17Å; Y497-P499 HydrophobicContact CE1-CB 4.15Å; Y497-P499 WeakPolarHBondContact O-CD 3.35Å; Y497-P499 WeakPolarHBondContact OH-CA 3.32Å |
| 498 | D | 77.8 | Confident | 79.2 | Confident | 45 Ų | 45 | 117.7 Ų | 117.7 | 24% | 0.241 | 60% | 0.602 | C | S | . | * | trans | -91.3 | 110 | 176.7 | -177.5 | 5.9 | 0 | 0 | 0 | 111 | I492 D500 A501 | I492-D498 HydrophobicContact CD1-CB 3.98Å; I492-D498 HydrophobicContact CG1-CB 3.96Å; I492-D498 HydrophobicContact CG2-CB 4.07Å; D498-D500 PolarHBondContact O-N 3.09Å; D498-D500 PolarHBondContact OD1-N 3.01Å; D498-A501 HydrophobicContact CB-CB 3.99Å; D498-A501 WeakPolarHBondContact O-CB 3.19Å; D498-A501 PolarHBondContact O-N 3.15Å | ||
| 499 | P | 76.6 | Confident | 77.9 | Confident | 53 Ų | 53 | 118.5 Ų | 118.5 | 34% | 0.344 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | -21.6 | -179.4 | 26.8 | -34.6 | 0 | 0 | 0 | 113.9 | Y497 | Y497-P499 HydrophobicContact CE1-CB 4.15Å; Y497-P499 WeakPolarHBondContact O-CD 3.35Å; Y497-P499 WeakPolarHBondContact OH-CA 3.32Å |
| 500 | D | 73.6 | Confident | 76.2 | Confident | 105 Ų | 105 | 122.1 Ų | 122.1 | 56% | 0.561 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 11.2 | -177.6 | -57.4 | -34.9 | 0 | 0 | 0 | 112.6 | K488 D498 K502 | K488-D500 IonicContact NZ-OD2 3.45Å; K488-D500 PolarHBondContact NZ-OD2 3.43Å; D498-D500 PolarHBondContact O-N 3.09Å; D498-D500 PolarHBondContact OD1-N 3.01Å; D500-K502 PolarHBondContact O-N 3.28Å; D500-K502 VanDerWaalsContact O-N 3.11Å |
| 501 | A | 74.9 | Confident | 74.6 | Confident | 63 Ų | 63 | 126.9 Ų | 126.9 | 52% | 0.521 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 117.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D498 | D498-A501 HydrophobicContact CB-CB 3.99Å; D498-A501 WeakPolarHBondContact O-CB 3.19Å; D498-A501 PolarHBondContact O-N 3.15Å |
| 502 | K | 68.9 | Low | 72.6 | Confident | 200 Ų | 200 | 130.4 Ų | 130.4 | 87% | 0.87 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 138.7 | 165.8 | -72.9 | -178.4 | 179.1 | 177.4 | 0 | 108.4 | D500 A504 | D500-K502 PolarHBondContact O-N 3.28Å; D500-K502 VanDerWaalsContact O-N 3.11Å; K502-A504 PolarHBondContact O-N 2.98Å |
| 503 | A | 71 | Confident | 71.2 | Confident | 98 Ų | 98 | 131.2 Ų | 131.2 | 81% | 0.81 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 134.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | F505 | A503-F505 PolarHBondContact O-N 3.2Å; A503-F505 VanDerWaalsContact O-N 3.15Å |
| 504 | A | 67.4 | Low | 69.7 | Low | 92 Ų | 92 | 135.9 Ų | 135.9 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 125.5 | -178 | 0 | 0 | 0 | 0 | 0 | 109.6 | K502 Q506 | K502-A504 PolarHBondContact O-N 2.98Å; A504-Q506 PolarHBondContact O-N 2.82Å |
| 505 | F | 69 | Low | 68.1 | Low | 178 Ų | 178 | 129.8 Ų | 129.8 | 78% | 0.781 | 70% | 0.702 | S | S | * | * | trans | -57.4 | 108.8 | 177.2 | 173.3 | -101.9 | 0 | 0 | 0 | 108.5 | A503 P507 | A503-F505 PolarHBondContact O-N 3.2Å; A503-F505 VanDerWaalsContact O-N 3.15Å; F505-P507 HydrophobicContact CE1-CB 4.22Å; F505-P507 WeakPolarHBondContact O-CD 3.45Å | ||
| 506 | Q | 69.1 | Low | 66.9 | Low | 171 Ų | 171 | 129.5 Ų | 129.5 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | trans | -73.9 | 111.5 | 173 | -69.5 | -174.5 | -3.7 | 0 | 0 | 107.7 | A504 K508 | A504-Q506 PolarHBondContact O-N 2.82Å; Q506-K508 PolarHBondContact O-N 2.91Å | ||
| 507 | P | 65.2 | Low | 65.7 | Low | 104 Ų | 104 | 130.8 Ų | 130.8 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | trans | -65.5 | 115.1 | -178.9 | 27 | -32.6 | 0 | 0 | 0 | 109 | F505 A509 | F505-P507 HydrophobicContact CE1-CB 4.22Å; F505-P507 WeakPolarHBondContact O-CD 3.45Å; P507-A509 PolarHBondContact O-N 2.97Å | ||
| 508 | K | 65.4 | Low | 64.9 | Low | 186 Ų | 186 | 125.6 Ų | 125.6 | 81% | 0.809 | 69% | 0.691 | S | S | * | * | trans | -58.8 | 132.2 | 163.8 | -69 | -174.3 | 177.1 | -176.5 | 0 | 107.9 | Q506 K510 | Q506-K508 PolarHBondContact O-N 2.91Å; K508-K510 PolarHBondContact O-N 3.37Å | ||
| 509 | A | 60.1 | Low | 64.4 | Low | 107 Ų | 107 | 127 Ų | 127 | 88% | 0.884 | 70% | 0.704 | S | S | * | * | trans | -57.8 | 98.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | P507 | P507-A509 PolarHBondContact O-N 2.97Š| ||
| 510 | K | 54.5 | Low | 63.9 | Low | 198 Ų | 198 | 129 Ų | 129 | 86% | 0.861 | 71% | 0.712 | S | S | * | * | trans | -75.4 | 136 | 171.7 | -74.2 | -169.5 | 176.3 | -174.2 | 0 | 108.2 | K508 | K508-K510 PolarHBondContact O-N 3.37Š| ||
| 511 | Q | 57.7 | Low | 63.8 | Low | 189 Ų | 189 | 128 Ų | 128 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | trans | -50.5 | 144.2 | 166.2 | -83.8 | -176.9 | -29.8 | 0 | 0 | 110.7 | G513 | Q511-G513 PolarHBondContact O-N 2.87Š| ||
| 512 | K | 47.6 | Very low | 63.6 | Low | 225 Ų | 225 | 132.1 Ų | 132.1 | 98% | 0.978 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -58.6 | 99.4 | -174.5 | -165.3 | 179.7 | -173.8 | -178.6 | 0 | 110.6 | ||
| 513 | G | 58.5 | Low | 63.7 | Low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 71% | 0.708 | S | S | * | * | trans | 166.6 | 113.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q511 | Q511-G513 PolarHBondContact O-N 2.87Š| ||
| 514 | R | 58.9 | Low | 63.8 | Low | 252 Ų | 252 | 133.9 Ų | 133.9 | 95% | 0.951 | 70% | 0.699 | S | S | * | * | trans | 70.8 | 97.2 | 166.3 | -65.2 | 177.8 | 170.5 | 171.9 | -2.8 | 117.6 | ||||
| 515 | S | 57.8 | Low | 64 | Low | 73 Ų | 73 | 136.1 Ų | 136.1 | 51% | 0.51 | 69% | 0.692 | S | S | . | * | trans | -138 | 93.8 | 142.8 | 58.1 | 0 | 0 | 0 | 0 | 110.5 | T517 A518 | S515-T517 PolarHBondContact O-N 2.96Å; S515-A518 PolarHBondContact O-N 2.85Å; S515-A518 WeakPolarHBondContact OG-CB 3.29Å | ||
| 516 | S | 63 | Low | 64.3 | Low | 93 Ų | 93 | 134.7 Ų | 134.7 | 65% | 0.65 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -59.7 | -23.2 | 174.2 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | S519 L520 | S516-S519 PolarHBondContact O-OG 2.92Å; S516-L520 WeakPolarHBondContact O-CB 3.48Å; S516-L520 PolarHBondContact O-N 3.44Å |
| 517 | T | 59.5 | Low | 64.5 | Low | 98 Ų | 98 | 129.6 Ų | 129.6 | 60% | 0.601 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -75.5 | -36.9 | 178.1 | 50.9 | 0 | 0 | 0 | 0 | 112.6 | S515 L520 V521 | S515-T517 PolarHBondContact O-N 2.96Å; T517-L520 PolarHBondContact O-N 3.44Å; T517-V521 WeakPolarHBondContact O-CG2 3.35Å; T517-V521 PolarHBondContact O-N 3.4Å |
| 518 | A | 66.1 | Low | 64.4 | Low | 44 Ų | 44 | 130.3 Ų | 130.3 | 36% | 0.364 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70.9 | -35 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S515 K522 | S515-A518 PolarHBondContact O-N 2.85Å; S515-A518 WeakPolarHBondContact OG-CB 3.29Å; A518-K522 WeakPolarHBondContact O-CB 3.34Å; A518-K522 WeakPolarHBondContact O-CG 3.41Å; A518-K522 PolarHBondContact O-N 3.42Å |
| 519 | S | 67.3 | Low | 64.8 | Low | 74 Ų | 74 | 126 Ų | 126 | 52% | 0.517 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69 | -37.3 | 173.4 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | S516 K522 R523 | S516-S519 PolarHBondContact O-OG 2.92Å; S519-K522 PolarHBondContact O-N 2.91Å; S519-R523 WeakPolarHBondContact O-CB 3.14Å; S519-R523 PolarHBondContact O-N 3.5Å |
| 520 | L | 65.6 | Low | 65.4 | Low | 97 Ų | 97 | 126.4 Ų | 126.4 | 51% | 0.508 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68.2 | -39.9 | 177.7 | -148.4 | 146.6 | 0 | 0 | 0 | 111.8 | S516 T517 R523 K524 | S516-L520 WeakPolarHBondContact O-CB 3.48Å; S516-L520 PolarHBondContact O-N 3.44Å; T517-L520 PolarHBondContact O-N 3.44Å; L520-R523 PolarHBondContact O-N 3.24Å; L520-K524 HydrophobicContact CD2-CD 4.19Å; L520-K524 HydrophobicContact CD2-CG 4.45Å; L520-K524 WeakPolarHBondContact O-CG 3.13Å; L520-K524 PolarHBondContact O-N 2.94Å |
| 521 | V | 72.1 | Confident | 66.3 | Low | 82 Ų | 82 | 121.3 Ų | 121.3 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66 | -41.9 | 172.3 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | T517 R523 K524 K525 | T517-V521 WeakPolarHBondContact O-CG2 3.35Å; T517-V521 PolarHBondContact O-N 3.4Å; V521-R523 VanDerWaalsContact C-N 3.31Å; V521-R523 PolarHBondContact O-N 3.16Å; V521-K524 PolarHBondContact O-N 3.41Å; V521-K525 WeakPolarHBondContact O-CB 3.27Å; V521-K525 PolarHBondContact O-N 3.28Å |
| 522 | K | 71.5 | Confident | 67 | Low | 151 Ų | 151 | 118.2 Ų | 118.2 | 66% | 0.657 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.7 | -38.6 | 173.6 | -79.3 | -179.1 | 179.7 | -176.2 | 0 | 111.9 | A518 S519 K526 | A518-K522 WeakPolarHBondContact O-CB 3.34Å; A518-K522 WeakPolarHBondContact O-CG 3.41Å; A518-K522 PolarHBondContact O-N 3.42Å; S519-K522 PolarHBondContact O-N 2.91Å; K522-K526 WeakPolarHBondContact O-CG 3.41Å; K522-K526 PolarHBondContact O-N 3.46Å |
| 523 | R | 70.8 | Confident | 68.3 | Low | 194 Ų | 194 | 116.3 Ų | 116.3 | 73% | 0.732 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.3 | -45.8 | 176.9 | -163 | 176 | -176.4 | 175 | 0.8 | 111.4 | S519 L520 V521 K525 K526 V527 | S519-R523 WeakPolarHBondContact O-CB 3.14Å; S519-R523 PolarHBondContact O-N 3.5Å; L520-R523 PolarHBondContact O-N 3.24Å; V521-R523 VanDerWaalsContact C-N 3.31Å; V521-R523 PolarHBondContact O-N 3.16Å; R523-K525 PolarHBondContact O-N 3.02Å; R523-K526 PolarHBondContact O-N 3.42Å; R523-V527 WeakPolarHBondContact O-CG2 3.45Å; R523-V527 PolarHBondContact O-N 2.68Å |
| 524 | K | 72.2 | Confident | 69.3 | Low | 141 Ų | 141 | 117.3 Ų | 117.3 | 61% | 0.613 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.5 | -44.3 | 173.9 | -75.6 | -176.1 | 174.9 | -175 | 0 | 112.1 | L520 V521 V527 M528 | L520-K524 HydrophobicContact CD2-CD 4.19Å; L520-K524 HydrophobicContact CD2-CG 4.45Å; L520-K524 WeakPolarHBondContact O-CG 3.13Å; L520-K524 PolarHBondContact O-N 2.94Å; V521-K524 PolarHBondContact O-N 3.41Å; K524-V527 PolarHBondContact O-N 2.96Å; K524-M528 VanDerWaalsContact O-CG 3.3Å; K524-M528 WeakPolarHBondContact O-CG 3.27Å; K524-M528 PolarHBondContact O-N 3.01Å |
| 525 | K | 72.1 | Confident | 70.4 | Confident | 139 Ų | 139 | 111.6 Ų | 111.6 | 60% | 0.604 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.7 | -44.9 | 175.6 | -82.6 | -171.9 | 173.1 | -171.8 | 0 | 112.5 | V521 R523 V527 M528 D529 | V521-K525 WeakPolarHBondContact O-CB 3.27Å; V521-K525 PolarHBondContact O-N 3.28Å; R523-K525 PolarHBondContact O-N 3.02Å; K525-V527 VanDerWaalsContact C-N 3.31Å; K525-V527 PolarHBondContact O-N 2.96Å; K525-M528 PolarHBondContact O-N 3.25Å; K525-D529 WeakPolarHBondContact O-CB 3.41Å; K525-D529 VanDerWaalsContact O-CG 3.24Å; K525-D529 PolarHBondContact O-N 3.04Å |
| 526 | K | 74.8 | Confident | 71.4 | Confident | 148 Ų | 148 | 111 Ų | 111 | 64% | 0.643 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.7 | -39.8 | 176 | -78.1 | -175.9 | 178.2 | -169.8 | 0 | 112.7 | K522 R523 Q530 | K522-K526 WeakPolarHBondContact O-CG 3.41Å; K522-K526 PolarHBondContact O-N 3.46Å; R523-K526 PolarHBondContact O-N 3.42Å; K526-Q530 WeakPolarHBondContact O-CB 3.11Å; K526-Q530 VanDerWaalsContact O-CG 3.24Å; K526-Q530 WeakPolarHBondContact O-CG 3.3Å; K526-Q530 PolarHBondContact O-N 3.36Å |
| 527 | V | 74 | Confident | 72.3 | Confident | 63 Ų | 63 | 114.2 Ų | 114.2 | 38% | 0.382 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.6 | -44.3 | 177.3 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | R523 K524 K525 D529 Q530 E531 | R523-V527 WeakPolarHBondContact O-CG2 3.45Å; R523-V527 PolarHBondContact O-N 2.68Å; K524-V527 PolarHBondContact O-N 2.96Å; K525-V527 VanDerWaalsContact C-N 3.31Å; K525-V527 PolarHBondContact O-N 2.96Å; V527-D529 PolarHBondContact O-N 2.89Å; V527-Q530 WeakPolarHBondContact O-CB 3.43Å; V527-Q530 PolarHBondContact O-N 3.08Å; V527-E531 WeakPolarHBondContact O-CG 3.34Å; V527-E531 PolarHBondContact O-N 3.38Å |
| 528 | M | 64 | Low | 73.4 | Confident | 120 Ų | 120 | 115 Ų | 115 | 59% | 0.591 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.1 | -41.7 | 175.4 | -69.3 | -66.9 | -61 | 0 | 0 | 112.4 | K524 K525 Q530 E531 H532 | K524-M528 VanDerWaalsContact O-CG 3.3Å; K524-M528 WeakPolarHBondContact O-CG 3.27Å; K524-M528 PolarHBondContact O-N 3.01Å; K525-M528 PolarHBondContact O-N 3.25Å; M528-Q530 VanDerWaalsContact C-N 3.32Å; M528-E531 PolarHBondContact O-N 3.43Å; M528-H532 WeakPolarHBondContact O-CB 3.4Å; M528-H532 PolarHBondContact O-N 2.9Å |
| 529 | D | 73.8 | Confident | 74.3 | Confident | 94 Ų | 94 | 115.3 Ų | 115.3 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -34.8 | 176.5 | -70.8 | -16.5 | 0 | 0 | 0 | 111.4 | K525 V527 R533 | K525-D529 WeakPolarHBondContact O-CB 3.41Å; K525-D529 VanDerWaalsContact O-CG 3.24Å; K525-D529 PolarHBondContact O-N 3.04Å; V527-D529 PolarHBondContact O-N 2.89Å; D529-R533 WeakPolarHBondContact O-CB 3.48Å; D529-R533 WeakPolarHBondContact O-CG 2.95Å; D529-R533 PolarHBondContact O-N 3.26Å |
| 530 | Q | 72 | Confident | 75.1 | Confident | 116 Ų | 116 | 115.9 Ų | 115.9 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66 | -50.9 | 172.4 | -80.7 | 173.3 | -23.2 | 0 | 0 | 111.2 | K526 V527 M528 H532 R533 D534 | K526-Q530 WeakPolarHBondContact O-CB 3.11Å; K526-Q530 VanDerWaalsContact O-CG 3.24Å; K526-Q530 WeakPolarHBondContact O-CG 3.3Å; K526-Q530 PolarHBondContact O-N 3.36Å; V527-Q530 WeakPolarHBondContact O-CB 3.43Å; V527-Q530 PolarHBondContact O-N 3.08Å; M528-Q530 VanDerWaalsContact C-N 3.32Å; Q530-H532 VanDerWaalsContact C-N 3.28Å; Q530-H532 PolarHBondContact O-N 2.96Å; Q530-R533 PolarHBondContact O-N 3.2Å; Q530-R533 VanDerWaalsContact O-N 3.14Å; Q530-D534 WeakPolarHBondContact O-CB 3.36Å; Q530-D534 VanDerWaalsContact O-CG 3.27Å; Q530-D534 PolarHBondContact O-N 3.34Å |
| 531 | E | 72.8 | Confident | 76 | Confident | 92 Ų | 92 | 115.4 Ų | 115.4 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 176.8 | -73.1 | 179.2 | -170.5 | 0 | 0 | 112.4 | V527 M528 K535 | V527-E531 WeakPolarHBondContact O-CG 3.34Å; V527-E531 PolarHBondContact O-N 3.38Å; M528-E531 PolarHBondContact O-N 3.43Å; E531-K535 WeakPolarHBondContact O-CB 3.25Å; E531-K535 VanDerWaalsContact O-CG 3.28Å; E531-K535 WeakPolarHBondContact O-CG 3.48Å; E531-K535 PolarHBondContact O-N 3.11Å |
| 532 | H | 73.2 | Confident | 76.4 | Confident | 124 Ų | 124 | 117.1 Ų | 117.1 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.1 | -44.1 | 175.8 | -172.6 | 63.4 | 0 | 0 | 0 | 111.6 | M528 Q530 D534 K535 V536 | M528-H532 WeakPolarHBondContact O-CB 3.4Å; M528-H532 PolarHBondContact O-N 2.9Å; Q530-H532 VanDerWaalsContact C-N 3.28Å; Q530-H532 PolarHBondContact O-N 2.96Å; H532-D534 VanDerWaalsContact C-N 3.34Å; H532-D534 PolarHBondContact O-N 3.15Å; H532-K535 PolarHBondContact O-N 3.38Å; H532-V536 VanDerWaalsContact O-CG2 3.3Å; H532-V536 WeakPolarHBondContact O-CG2 3.32Å; H532-V536 PolarHBondContact O-N 2.99Å |
| 533 | R | 74.7 | Confident | 76.7 | Confident | 184 Ų | 184 | 115.4 Ų | 115.4 | 69% | 0.694 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.4 | -40.2 | 175.2 | -76.9 | 173.2 | -177.8 | -170.3 | 0.4 | 112.4 | D529 Q530 V536 R537 | D529-R533 WeakPolarHBondContact O-CB 3.48Å; D529-R533 WeakPolarHBondContact O-CG 2.95Å; D529-R533 PolarHBondContact O-N 3.26Å; Q530-R533 PolarHBondContact O-N 3.2Å; Q530-R533 VanDerWaalsContact O-N 3.14Å; R533-V536 PolarHBondContact O-N 2.89Å; R533-R537 WeakPolarHBondContact O-CB 3.37Å; R533-R537 PolarHBondContact O-N 3.16Å |
| 534 | D | 78.4 | Confident | 77 | Confident | 84 Ų | 84 | 111.5 Ų | 111.5 | 45% | 0.449 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 178.5 | -68.8 | -24.4 | 0 | 0 | 0 | 111.2 | Q530 H532 R537 Q538 | Q530-D534 WeakPolarHBondContact O-CB 3.36Å; Q530-D534 VanDerWaalsContact O-CG 3.27Å; Q530-D534 PolarHBondContact O-N 3.34Å; H532-D534 VanDerWaalsContact C-N 3.34Å; H532-D534 PolarHBondContact O-N 3.15Å; D534-R537 PolarHBondContact O-N 3.2Å; D534-Q538 WeakPolarHBondContact O-CB 3.46Å; D534-Q538 VanDerWaalsContact O-CG 3.28Å; D534-Q538 WeakPolarHBondContact O-CG 3.28Å; D534-Q538 PolarHBondContact O-N 2.94Å |
| 535 | K | 82.3 | Confident | 77.3 | Confident | 133 Ų | 133 | 110.5 Ų | 110.5 | 58% | 0.578 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63 | -43.9 | 171.6 | -74.8 | 172.7 | -174.4 | 174 | 0 | 112.3 | E531 H532 R537 Q538 S539 | E531-K535 WeakPolarHBondContact O-CB 3.25Å; E531-K535 VanDerWaalsContact O-CG 3.28Å; E531-K535 WeakPolarHBondContact O-CG 3.48Å; E531-K535 PolarHBondContact O-N 3.11Å; H532-K535 PolarHBondContact O-N 3.38Å; K535-R537 VanDerWaalsContact C-N 3.33Å; K535-Q538 PolarHBondContact O-N 3.35Å; K535-S539 WeakPolarHBondContact O-CB 3.45Å; K535-S539 PolarHBondContact O-N 3.06Å |
| 536 | V | 78.9 | Confident | 77.4 | Confident | 61 Ų | 61 | 110.4 Ų | 110.4 | 37% | 0.37 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.9 | 170.7 | 0 | 0 | 0 | 0 | 110.2 | H532 R533 S539 L540 | H532-V536 VanDerWaalsContact O-CG2 3.3Å; H532-V536 WeakPolarHBondContact O-CG2 3.32Å; H532-V536 PolarHBondContact O-N 2.99Å; R533-V536 PolarHBondContact O-N 2.89Å; V536-S539 PolarHBondContact O-N 3.13Å; V536-S539 PolarHBondContact O-OG 3.02Å; V536-L540 HydrophobicContact CG1-CD1 3.92Å; V536-L540 PolarHBondContact O-N 3.07Å |
| 537 | R | 81.9 | Confident | 77.3 | Confident | 159 Ų | 159 | 110.1 Ų | 110.1 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -45.1 | 176.9 | -171.9 | 178 | 176.8 | 168.4 | 5.6 | 112.4 | R533 D534 K535 S539 L540 E541 | R533-R537 WeakPolarHBondContact O-CB 3.37Å; R533-R537 PolarHBondContact O-N 3.16Å; D534-R537 PolarHBondContact O-N 3.2Å; K535-R537 VanDerWaalsContact C-N 3.33Å; R537-S539 VanDerWaalsContact C-N 3.32Å; R537-S539 PolarHBondContact O-N 3.47Å; R537-L540 PolarHBondContact O-N 3.47Å; R537-E541 IonicContact NE-OE1 3.56Å; R537-E541 PolarHBondContact NE-OE1 3.04Å; R537-E541 WeakPolarHBondContact O-CB 3.2Å; R537-E541 WeakPolarHBondContact O-CG 3.42Å; R537-E541 PolarHBondContact O-N 2.94Å |
| 538 | Q | 83.8 | Confident | 77.2 | Confident | 114 Ų | 114 | 114.4 Ų | 114.4 | 53% | 0.533 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 174.5 | -74.7 | 175 | 6.5 | 0 | 0 | 111.7 | D534 K535 E541 Q542 | D534-Q538 WeakPolarHBondContact O-CB 3.46Å; D534-Q538 VanDerWaalsContact O-CG 3.28Å; D534-Q538 WeakPolarHBondContact O-CG 3.28Å; D534-Q538 PolarHBondContact O-N 2.94Å; K535-Q538 PolarHBondContact O-N 3.35Å; Q538-E541 PolarHBondContact O-N 3.11Å; Q538-Q542 WeakPolarHBondContact O-CB 3.36Å; Q538-Q542 VanDerWaalsContact O-CG 3.25Å; Q538-Q542 WeakPolarHBondContact O-CG 3.49Å; Q538-Q542 PolarHBondContact O-N 2.8Å |
| 539 | S | 84 | Confident | 77.3 | Confident | 51 Ų | 51 | 114.8 Ų | 114.8 | 36% | 0.357 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.6 | -38.2 | 176.4 | 75.8 | 0 | 0 | 0 | 0 | 112.5 | K535 V536 R537 Q543 | K535-S539 WeakPolarHBondContact O-CB 3.45Å; K535-S539 PolarHBondContact O-N 3.06Å; V536-S539 PolarHBondContact O-N 3.13Å; V536-S539 PolarHBondContact O-OG 3.02Å; R537-S539 VanDerWaalsContact C-N 3.32Å; R537-S539 PolarHBondContact O-N 3.47Å; S539-Q543 WeakPolarHBondContact O-CB 3.23Å; S539-Q543 WeakPolarHBondContact O-CG 3.43Å; S539-Q543 PolarHBondContact O-N 2.71Å |
| 540 | L | 84.6 | Confident | 76.7 | Confident | 86 Ų | 86 | 115.1 Ų | 115.1 | 45% | 0.45 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68 | -43 | 175 | -81.3 | 160.6 | 0 | 0 | 0 | 111.7 | V536 R537 Q543 Q544 | V536-L540 HydrophobicContact CG1-CD1 3.92Å; V536-L540 PolarHBondContact O-N 3.07Å; R537-L540 PolarHBondContact O-N 3.47Å; L540-Q543 PolarHBondContact O-N 3.16Å; L540-Q544 WeakPolarHBondContact O-CB 3.44Å; L540-Q544 WeakPolarHBondContact O-CG 3.45Å; L540-Q544 PolarHBondContact O-N 3.37Å |
| 541 | E | 83.9 | Confident | 76 | Confident | 87 Ų | 87 | 117.5 Ų | 117.5 | 41% | 0.407 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 175.7 | -76.6 | 173.8 | -170.5 | 0 | 0 | 111.3 | R537 Q538 Q544 Q545 | R537-E541 IonicContact NE-OE1 3.56Å; R537-E541 PolarHBondContact NE-OE1 3.04Å; R537-E541 WeakPolarHBondContact O-CB 3.2Å; R537-E541 WeakPolarHBondContact O-CG 3.42Å; R537-E541 PolarHBondContact O-N 2.94Å; Q538-E541 PolarHBondContact O-N 3.11Å; E541-Q544 PolarHBondContact O-N 2.68Å; E541-Q545 WeakPolarHBondContact O-CB 3.44Å; E541-Q545 WeakPolarHBondContact O-CG 3.02Å; E541-Q545 PolarHBondContact O-N 2.95Å |
| 542 | Q | 80.3 | Confident | 75.4 | Confident | 118 Ų | 118 | 117.1 Ų | 117.1 | 55% | 0.551 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.6 | -40.8 | 172.3 | -74.9 | 175.9 | 7.4 | 0 | 0 | 112.2 | Q538 Q545 K546 | Q538-Q542 WeakPolarHBondContact O-CB 3.36Å; Q538-Q542 VanDerWaalsContact O-CG 3.25Å; Q538-Q542 WeakPolarHBondContact O-CG 3.49Å; Q538-Q542 PolarHBondContact O-N 2.8Å; Q542-Q545 PolarHBondContact O-N 3.22Å; Q542-K546 WeakPolarHBondContact O-CB 3.35Å; Q542-K546 WeakPolarHBondContact O-CG 3.3Å; Q542-K546 PolarHBondContact O-N 2.71Å |
| 543 | Q | 77.9 | Confident | 74.4 | Confident | 115 Ų | 115 | 118.2 Ų | 118.2 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.8 | -39.8 | 173.6 | -78.4 | -177.8 | 4.3 | 0 | 0 | 111.9 | S539 L540 K546 K547 | S539-Q543 WeakPolarHBondContact O-CB 3.23Å; S539-Q543 WeakPolarHBondContact O-CG 3.43Å; S539-Q543 PolarHBondContact O-N 2.71Å; L540-Q543 PolarHBondContact O-N 3.16Å; Q543-K546 PolarHBondContact O-N 2.99Å; Q543-K547 WeakPolarHBondContact O-CB 3.42Å; Q543-K547 WeakPolarHBondContact O-CG 3.37Å; Q543-K547 PolarHBondContact O-N 3.11Å |
| 544 | Q | 78.6 | Confident | 73.2 | Confident | 112 Ų | 112 | 115.4 Ų | 115.4 | 52% | 0.523 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.3 | -38.1 | 176.5 | -75.3 | -177.7 | 4.8 | 0 | 0 | 112.1 | L540 E541 K547 K548 | L540-Q544 WeakPolarHBondContact O-CB 3.44Å; L540-Q544 WeakPolarHBondContact O-CG 3.45Å; L540-Q544 PolarHBondContact O-N 3.37Å; E541-Q544 PolarHBondContact O-N 2.68Å; Q544-K547 PolarHBondContact O-N 2.94Å; Q544-K548 WeakPolarHBondContact O-CB 3.46Å; Q544-K548 WeakPolarHBondContact O-CG 3.29Å; Q544-K548 PolarHBondContact O-N 3.15Å |
| 545 | Q | 77.3 | Confident | 71.7 | Confident | 121 Ų | 121 | 117.9 Ų | 117.9 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.7 | -41.3 | 173.6 | -77.4 | 179.7 | -4.2 | 0 | 0 | 111.4 | E541 Q542 K548 Q549 | E541-Q545 WeakPolarHBondContact O-CB 3.44Å; E541-Q545 WeakPolarHBondContact O-CG 3.02Å; E541-Q545 PolarHBondContact O-N 2.95Å; Q542-Q545 PolarHBondContact O-N 3.22Å; Q545-K548 PolarHBondContact O-N 3.43Å; Q545-Q549 WeakPolarHBondContact O-CB 3.48Å; Q545-Q549 WeakPolarHBondContact O-CG 3.47Å; Q545-Q549 PolarHBondContact O-N 3.1Å |
| 546 | K | 74.9 | Confident | 70.3 | Confident | 137 Ų | 137 | 115 Ų | 115 | 60% | 0.596 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.8 | -48 | 170.3 | -79.5 | -178.8 | 177.6 | -178.1 | 0 | 111.3 | Q542 Q543 K548 Q549 D550 | Q542-K546 WeakPolarHBondContact O-CB 3.35Å; Q542-K546 WeakPolarHBondContact O-CG 3.3Å; Q542-K546 PolarHBondContact O-N 2.71Å; Q543-K546 PolarHBondContact O-N 2.99Å; K546-K548 VanDerWaalsContact C-N 3.33Å; K546-K548 PolarHBondContact O-N 3.03Å; K546-Q549 CarbonylContact O-C 3.5Å; K546-Q549 PolarHBondContact O-N 3.14Å; K546-D550 WeakPolarHBondContact O-CB 3.46Å; K546-D550 VanDerWaalsContact O-CG 3.29Å; K546-D550 PolarHBondContact O-N 3.23Å |
| 547 | K | 71.2 | Confident | 68.8 | Low | 142 Ų | 142 | 116.7 Ų | 116.7 | 62% | 0.617 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.9 | -40.5 | 174.7 | -77.4 | -176.6 | 178.6 | -175.6 | 0 | 112.5 | Q543 Q544 D550 M551 | Q543-K547 WeakPolarHBondContact O-CB 3.42Å; Q543-K547 WeakPolarHBondContact O-CG 3.37Å; Q543-K547 PolarHBondContact O-N 3.11Å; Q544-K547 PolarHBondContact O-N 2.94Å; K547-D550 PolarHBondContact O-N 2.86Å; K547-M551 WeakPolarHBondContact O-CB 3.43Å; K547-M551 VanDerWaalsContact O-CG 3.26Å; K547-M551 WeakPolarHBondContact O-CG 3.43Å; K547-M551 PolarHBondContact O-N 3.22Å |
| 548 | K | 73.5 | Confident | 67.6 | Low | 153 Ų | 153 | 120.5 Ų | 120.5 | 67% | 0.665 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.1 | -37 | 175.5 | -77.9 | -178.2 | 178.2 | -177.2 | 0 | 112.2 | Q544 Q545 K546 M551 A552 | Q544-K548 WeakPolarHBondContact O-CB 3.46Å; Q544-K548 WeakPolarHBondContact O-CG 3.29Å; Q544-K548 PolarHBondContact O-N 3.15Å; Q545-K548 PolarHBondContact O-N 3.43Å; K546-K548 VanDerWaalsContact C-N 3.33Å; K546-K548 PolarHBondContact O-N 3.03Å; K548-M551 PolarHBondContact O-N 2.89Å; K548-A552 WeakPolarHBondContact O-CB 3.41Å; K548-A552 PolarHBondContact O-N 3.03Å |
| 549 | Q | 65.3 | Low | 66.4 | Low | 128 Ų | 128 | 120.4 Ų | 120.4 | 60% | 0.598 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.1 | -37.2 | 172.7 | -76.5 | 178.8 | -4.7 | 0 | 0 | 111.7 | Q545 K546 A552 K553 | Q545-Q549 WeakPolarHBondContact O-CB 3.48Å; Q545-Q549 WeakPolarHBondContact O-CG 3.47Å; Q545-Q549 PolarHBondContact O-N 3.1Å; K546-Q549 CarbonylContact O-C 3.5Å; K546-Q549 PolarHBondContact O-N 3.14Å; Q549-A552 PolarHBondContact O-N 3.39Å; Q549-K553 WeakPolarHBondContact O-CG 3.36Å; Q549-K553 PolarHBondContact O-N 3.05Å; Q549-K553 VanDerWaalsContact O-N 3.09Å |
| 550 | D | 62.4 | Low | 65.6 | Low | 101 Ų | 101 | 121.2 Ų | 121.2 | 54% | 0.54 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -71.7 | -32.6 | 174.8 | -70.8 | -26.6 | 0 | 0 | 0 | 111.9 | K546 K547 K553 | K546-D550 WeakPolarHBondContact O-CB 3.46Å; K546-D550 VanDerWaalsContact O-CG 3.29Å; K546-D550 PolarHBondContact O-N 3.23Å; K547-D550 PolarHBondContact O-N 2.86Å; D550-K553 IonicContact OD1-NZ 3.73Å |
| 551 | M | 56.8 | Low | 64.3 | Low | 166 Ų | 166 | 121 Ų | 121 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -79.4 | -27.6 | 172.8 | -72.1 | -169.9 | 82.1 | 0 | 0 | 113.4 | K547 K548 K553 | K547-M551 WeakPolarHBondContact O-CB 3.43Å; K547-M551 VanDerWaalsContact O-CG 3.26Å; K547-M551 WeakPolarHBondContact O-CG 3.43Å; K547-M551 PolarHBondContact O-N 3.22Å; K548-M551 PolarHBondContact O-N 2.89Å; M551-K553 VanDerWaalsContact C-N 3.29Å |
| 552 | A | 58.9 | Low | 63.1 | Low | 84 Ų | 84 | 122.9 Ų | 122.9 | 69% | 0.694 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -79 | -13.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K548 Q549 T554 | K548-A552 WeakPolarHBondContact O-CB 3.41Å; K548-A552 PolarHBondContact O-N 3.03Å; Q549-A552 PolarHBondContact O-N 3.39Å; A552-T554 PolarHBondContact O-N 3.48Å |
| 553 | K | 53.8 | Low | 62 | Low | 146 Ų | 146 | 122.5 Ų | 122.5 | 64% | 0.635 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -74.3 | 112.9 | 163.9 | -77.5 | 171.5 | -175.3 | 167.5 | 0 | 108.6 | Q549 D550 M551 | Q549-K553 WeakPolarHBondContact O-CG 3.36Å; Q549-K553 PolarHBondContact O-N 3.05Å; Q549-K553 VanDerWaalsContact O-N 3.09Å; D550-K553 IonicContact OD1-NZ 3.73Å; M551-K553 VanDerWaalsContact C-N 3.29Å |
| 554 | T | 48.2 | Very low | 60.9 | Low | 126 Ų | 126 | 128 Ų | 128 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | trans | -57.6 | 136.3 | 174.1 | -17.2 | 0 | 0 | 0 | 0 | 110.1 | A552 G556 | A552-T554 PolarHBondContact O-N 3.48Å; T554-G556 VanDerWaalsContact C-N 3.3Å; T554-G556 PolarHBondContact O-N 3.48Å | ||
| 555 | P | 47.4 | Very low | 59.8 | Low | 135 Ų | 135 | 130.8 Ų | 130.8 | 88% | 0.877 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -75.2 | 85.6 | 176.1 | 30.6 | -31.6 | 0 | 0 | 0 | 108.8 | ||
| 556 | G | 52.5 | Low | 58.7 | Low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 70% | 0.699 | S | S | * | * | trans | -178.6 | 48.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | T554 | T554-G556 VanDerWaalsContact C-N 3.3Å; T554-G556 PolarHBondContact O-N 3.48Å | ||
| 557 | A | 48.5 | Very low | 57.4 | Low | 96 Ų | 96 | 135.1 Ų | 135.1 | 79% | 0.793 | 71% | 0.714 | S | S | * | * | trans | -132.9 | 120.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 558 | R | 56.3 | Low | 55.9 | Low | 239 Ų | 239 | 140 Ų | 140 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 141.5 | 174.4 | -69.3 | 177.9 | 177.3 | 175.2 | -1.1 | 108.7 | S560 | R558-S560 PolarHBondContact O-N 3.14Å; R558-S560 VanDerWaalsContact O-N 3.17Å |
| 559 | P | 57.4 | Low | 54.4 | Low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 125.3 | 175.5 | 22.3 | -31.2 | 0 | 0 | 0 | 109.3 | ||
| 560 | S | 67.9 | Low | 52.9 | Low | 67 Ų | 67 | 143 Ų | 143 | 47% | 0.469 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -65 | 143.2 | 173.4 | 166.8 | 0 | 0 | 0 | 0 | 109 | R558 L562 D563 | R558-S560 PolarHBondContact O-N 3.14Å; R558-S560 VanDerWaalsContact O-N 3.17Å; S560-L562 PolarHBondContact O-N 3.14Å; S560-L562 PolarHBondContact OG-N 2.85Å; S560-D563 PolarHBondContact O-N 2.91Å |
| 561 | A | 57.2 | Low | 51.8 | Low | 83 Ų | 83 | 147.4 Ų | 147.4 | 69% | 0.686 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -55.9 | -17.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 562 | L | 59.3 | Low | 50.8 | Low | 126 Ų | 126 | 143 Ų | 143 | 66% | 0.66 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -77.9 | -20.3 | 176.1 | -78.5 | 156.3 | 0 | 0 | 0 | 114.5 | S560 R564 F565 | S560-L562 PolarHBondContact O-N 3.14Å; S560-L562 PolarHBondContact OG-N 2.85Å; L562-R564 PolarHBondContact O-N 3.37Å; L562-R564 VanDerWaalsContact O-N 3.16Å; L562-F565 PolarHBondContact O-N 2.81Å; L562-F565 VanDerWaalsContact O-N 3.09Å |
| 563 | D | 56.7 | Low | 49.7 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 58% | 0.583 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -68.6 | -11.4 | 177 | -84.4 | -23.3 | 0 | 0 | 0 | 112.9 | S560 F565 | S560-D563 PolarHBondContact O-N 2.91Å; D563-F565 VanDerWaalsContact C-N 3.29Å |
| 564 | R | 55.7 | Low | 48.8 | Very low | 230 Ų | 230 | 143.7 Ų | 143.7 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -76.2 | -13.4 | 172 | -72.7 | -177.2 | 176.2 | 176.3 | -0.8 | 113.8 | L562 | L562-R564 PolarHBondContact O-N 3.37Å; L562-R564 VanDerWaalsContact O-N 3.16Å |
| 565 | F | 54.6 | Low | 48 | Very low | 171 Ų | 171 | 145.4 Ų | 145.4 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -101.1 | -4.4 | -179.1 | -69.1 | -78.6 | 0 | 0 | 0 | 113.8 | L562 D563 R567 | L562-F565 PolarHBondContact O-N 2.81Å; L562-F565 VanDerWaalsContact O-N 3.09Å; D563-F565 VanDerWaalsContact C-N 3.29Å; F565-R567 PolarHBondContact O-N 2.94Å |
| 566 | V | 54.1 | Low | 47.7 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | trans | -82 | 104.8 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | R568 | V566-R568 PolarHBondContact O-N 3.15Å; V566-R568 VanDerWaalsContact O-N 3.13Å | ||
| 567 | R | 47 | Very low | 47 | Very low | 240 Ų | 240 | 147.5 Ų | 147.5 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -57.5 | 114.6 | 172.8 | -84 | -179.7 | 172.7 | 171.4 | -1.7 | 110 | F565 A569 | F565-R567 PolarHBondContact O-N 2.94Å; R567-A569 PolarHBondContact O-N 3.08Å; R567-A569 VanDerWaalsContact O-N 3.07Å | ||
| 568 | R | 40.8 | Very low | 47.5 | Very low | 246 Ų | 246 | 152.3 Ų | 152.3 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | -59.1 | 107.8 | 166.4 | -87.3 | -178.3 | 172.5 | 179.5 | -3 | 109.5 | V566 R570 | V566-R568 PolarHBondContact O-N 3.15Å; V566-R568 VanDerWaalsContact O-N 3.13Å; R568-R570 PolarHBondContact O-N 2.96Å | ||
| 569 | A | 40.5 | Very low | 47.1 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -70.4 | 117.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | R567 E571 | R567-A569 PolarHBondContact O-N 3.08Å; R567-A569 VanDerWaalsContact O-N 3.07Å; A569-E571 PolarHBondContact O-N 2.77Å | ||
| 570 | R | 34.9 | Very low | 46.5 | Very low | 250 Ų | 250 | 149.9 Ų | 149.9 | 94% | 0.943 | 79% | 0.791 | S | S | * | * | trans | -66.7 | 106.8 | 169.4 | -83 | 175.7 | 166.8 | 168.3 | -4.8 | 108.4 | R568 G572 | R568-R570 PolarHBondContact O-N 2.96Å; R570-G572 PolarHBondContact O-N 2.95Å | ||
| 571 | E | 38.1 | Very low | 45.4 | Very low | 194 Ų | 194 | 154.5 Ų | 154.5 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | trans | -87 | 97.1 | 159.4 | -74.4 | -175.3 | 168.3 | 0 | 0 | 108.1 | A569 G573 | A569-E571 PolarHBondContact O-N 2.77Å; E571-G573 PolarHBondContact O-N 2.82Å | ||
| 572 | G | 37.2 | Very low | 44.7 | Very low | 73 Ų | 73 | 158.7 Ų | 158.7 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | trans | -80.4 | 101.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | R570 | R570-G572 PolarHBondContact O-N 2.95Š| ||
| 573 | G | 34.8 | Very low | 43.7 | Very low | 76 Ų | 76 | 160.8 Ų | 160.8 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | -83.3 | 110.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | E571 Q575 | E571-G573 PolarHBondContact O-N 2.82Å; G573-Q575 PolarHBondContact O-N 3.44Å | ||
| 574 | L | 35.2 | Very low | 42.9 | Very low | 168 Ų | 168 | 164.2 Ų | 164.2 | 88% | 0.88 | 84% | 0.842 | S | S | * | * | trans | -66.1 | 121.9 | 164.8 | -102.4 | 92.8 | 0 | 0 | 0 | 108.8 | ||||
| 575 | Q | 32.4 | Very low | 42 | Very low | 162 Ų | 162 | 159.5 Ų | 159.5 | 76% | 0.757 | 84% | 0.841 | S | S | * | * | trans | -75.7 | 123.8 | 168.7 | -166.6 | 166.9 | -9.7 | 0 | 0 | 108.3 | G573 | G573-Q575 PolarHBondContact O-N 3.44Š| ||
| 576 | V | 40.4 | Very low | 41 | Very low | 133 Ų | 133 | 158.6 Ų | 158.6 | 81% | 0.806 | 85% | 0.848 | S | S | * | * | trans | -110.1 | 108.3 | 167 | -176.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 577 | D | 37.3 | Very low | 39.9 | Very low | 120 Ų | 120 | 162.8 Ų | 162.8 | 64% | 0.642 | 86% | 0.863 | S | S | * | * | trans | -78.9 | 156.7 | 170.7 | -78.7 | -22.2 | 0 | 0 | 0 | 109.9 | ||||
| 578 | P | 60 | Low | 39.3 | Very low | 198 Ų | 198 | 155.7 Ų | 155.7 | 100% | 1.286 | 86% | 0.859 | S | S | * | * | trans | -73.8 | 0 | -155.5 | 28.6 | -36.6 | 0 | 0 | 0 | 117.3 |
Retrieved 578 of 578 residues in 453.7 ms
(Link to these results)