| 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 | 38.9 | Very low | 35.8 | Very low | 249 Ų | 249 | 152.9 Ų | 152.9 | 100% | 1.227 | 81% | 0.813 | S | S | * | * | 0 | 142.8 | 0 | -60.2 | 171.3 | 179.5 | 0 | 0 | 107 | |||||
| 2 | A | 34.3 | Very low | 35.2 | Very low | 82 Ų | 82 | 156.5 Ų | 156.5 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | cis | -172.9 | 165.2 | -20.4 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 3 | T | 42.9 | Very low | 34.8 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | 59.2 | 123 | -173.3 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 4 | E | 40 | Very low | 34.4 | Very low | 153 Ų | 153 | 150.6 Ų | 150.6 | 72% | 0.715 | 80% | 0.804 | S | S | * | * | 74 | 134.9 | 52.1 | -61.6 | -178 | 107.8 | 0 | 0 | 112.9 | |||||
| 5 | Q | 39.7 | Very low | 34.1 | Very low | 154 Ų | 154 | 155.5 Ų | 155.5 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | cis | -153.4 | 155.6 | 2.6 | -125.6 | 174.1 | 47.6 | 0 | 0 | 112.6 | ||||
| 6 | S | 37.1 | Very low | 33.7 | Very low | 97 Ų | 97 | 153.3 Ų | 153.3 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | 23.1 | 119.9 | 157.8 | 56.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 7 | V | 33.4 | Very low | 33.4 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -58 | 142.3 | 148.3 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 8 | S | 33.5 | Very low | 33.2 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -151.5 | 137.7 | 153.2 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 9 | E | 28.5 | Very low | 33.3 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -76.3 | 131.4 | -176.7 | -65.3 | 147.7 | 98.6 | 0 | 0 | 112.1 | ||||
| 10 | R | 31.6 | Very low | 33.3 | Very low | 230 Ų | 230 | 145.7 Ų | 145.7 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -138.2 | 142.3 | 153.5 | -71 | -168.6 | 173.9 | 167.4 | 0.6 | 108.6 | E12 | R10-E12 PolarHBondContact O-N 2.86Š| ||
| 11 | L | 34.5 | Very low | 33.4 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -70.9 | 98.5 | -174.5 | -76.3 | 73.7 | 0 | 0 | 0 | 110.6 | D13 | L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 3.27Å | ||
| 12 | E | 28.1 | Very low | 33.3 | Very low | 196 Ų | 196 | 138.3 Ų | 138.3 | 92% | 0.916 | 76% | 0.755 | S | S | * | * | trans | -82.7 | 81.6 | 153.7 | -66.8 | -169.7 | 139.3 | 0 | 0 | 108.7 | R10 | R10-E12 PolarHBondContact O-N 2.86Š| ||
| 13 | D | 30.6 | Very low | 33.2 | Very low | 132 Ų | 132 | 142 Ų | 142 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -126.6 | 106 | 166.5 | -111.2 | -40.3 | 0 | 0 | 0 | 109.4 | L11 Y15 | L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 3.27Å; D13-Y15 PolarHBondContact O-N 3.29Å; D13-Y15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | S | 28.6 | Very low | 33 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | -74.5 | 101.6 | -166 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | T16 | S14-T16 PolarHBondContact O-N 3.48Š| ||
| 15 | Y | 30.4 | Very low | 33 | Very low | 224 Ų | 224 | 149 Ų | 149 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | trans | -74.8 | 48 | 167.8 | -92.1 | -91 | 0 | 0 | 0 | 113.5 | D13 C17 | D13-Y15 PolarHBondContact O-N 3.29Å; D13-Y15 VanDerWaalsContact O-N 3.14Å; Y15-C17 PolarHBondContact O-N 3.22Å | ||
| 16 | T | 27.5 | Very low | 33 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | trans | -78.8 | 68.4 | 160.7 | 51.4 | 0 | 0 | 0 | 0 | 109.1 | S14 S18 | S14-T16 PolarHBondContact O-N 3.48Å; T16-S18 PolarHBondContact O-N 2.83Å | ||
| 17 | C | 28.3 | Very low | 33.5 | Very low | 106 Ų | 106 | 143.4 Ų | 143.4 | 72% | 0.716 | 74% | 0.741 | S | S | * | * | trans | -70.4 | 116.1 | 174.6 | -167.8 | 0 | 0 | 0 | 0 | 108.9 | Y15 | Y15-C17 PolarHBondContact O-N 3.22Š| ||
| 18 | S | 29 | Very low | 34.3 | Very low | 82 Ų | 82 | 143.4 Ų | 143.4 | 57% | 0.573 | 73% | 0.726 | S | S | * | * | trans | -68 | 159.3 | -173.9 | -150.5 | 0 | 0 | 0 | 0 | 112.2 | T16 D20 | T16-S18 PolarHBondContact O-N 2.83Å; S18-D20 VanDerWaalsContact CB-OD2 3.28Å; S18-D20 WeakPolarHBondContact CB-OD2 3.16Å; S18-D20 PolarHBondContact O-N 2.92Å; S18-D20 PolarHBondContact OG-OD2 2.85Å | ||
| 19 | V | 35.9 | Very low | 35.2 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 89% | 0.885 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 13.2 | -172.3 | -172.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 20 | D | 33.7 | Very low | 35.6 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 67% | 0.674 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | -10.7 | -154 | -53.1 | -80.6 | 0 | 0 | 0 | 115.2 | S18 | S18-D20 VanDerWaalsContact CB-OD2 3.28Å; S18-D20 WeakPolarHBondContact CB-OD2 3.16Å; S18-D20 PolarHBondContact O-N 2.92Å; S18-D20 PolarHBondContact OG-OD2 2.85Å |
| 21 | D | 34.9 | Very low | 36.1 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 68% | 0.684 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -100.5 | 0.6 | -166.5 | -152.1 | 4 | 0 | 0 | 0 | 115 | ||
| 22 | V | 37 | Very low | 36.8 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 69% | 0.685 | 67% | 0.667 | S | S | * | * | trans | -110.1 | 42.8 | -172.9 | -157.7 | 0 | 0 | 0 | 0 | 113.2 | R24 | V22-R24 PolarHBondContact O-N 3.18Š| ||
| 23 | N | 32.2 | Very low | 38.1 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 85% | 0.85 | 66% | 0.661 | S | S | * | * | trans | -86 | 15.4 | 166.8 | -149.1 | -5.3 | 0 | 0 | 0 | 112.7 | R25 | N23-R25 PolarHBondContact O-N 3.49Å; N23-R25 VanDerWaalsContact O-N 3.09Å | ||
| 24 | R | 39.4 | Very low | 38.7 | Very low | 200 Ų | 200 | 130.7 Ų | 130.7 | 76% | 0.755 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -75.4 | 90.5 | 171.6 | -66.5 | -169.8 | -174.5 | -152.8 | 3.9 | 110.4 | V22 L26 | V22-R24 PolarHBondContact O-N 3.18Å; R24-L26 PolarHBondContact O-N 3.46Å |
| 25 | R | 39.5 | Very low | 39.4 | Very low | 224 Ų | 224 | 132.2 Ų | 132.2 | 85% | 0.845 | 66% | 0.664 | S | S | * | * | trans | 5.2 | 80.1 | 166.2 | -75.8 | -179.4 | 161.4 | 176.1 | -5.4 | 116 | N23 S27 | N23-R25 PolarHBondContact O-N 3.49Å; N23-R25 VanDerWaalsContact O-N 3.09Å; R25-S27 PolarHBondContact O-N 2.86Å | ||
| 26 | L | 40.4 | Very low | 40 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 41% | 0.408 | 65% | 0.652 | S | S | . | * | trans | -70.8 | 124.7 | 167.9 | -72.7 | 168.9 | 0 | 0 | 0 | 109.8 | R24 W28 | R24-L26 PolarHBondContact O-N 3.46Å; L26-W28 HydrophobicContact CD1-CZ2 4.39Å | ||
| 27 | S | 45.9 | Very low | 41 | Very low | 55 Ų | 55 | 124.5 Ų | 124.5 | 39% | 0.385 | 66% | 0.659 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.3 | 113.4 | 178.6 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | R25 | R25-S27 PolarHBondContact O-N 2.86Å |
| 28 | W | 51.2 | Low | 42.5 | Very low | 140 Ų | 140 | 123 Ų | 123 | 53% | 0.53 | 64% | 0.638 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.1 | 118.8 | -177.1 | -60.9 | 106.2 | 0 | 0 | 0 | 111.8 | L26 Y30 V52 | L26-W28 HydrophobicContact CD1-CZ2 4.39Å; W28-Y30 HydrophobicContact CB-CD2 4.22Å; W28-Y30 HydrophobicContact CB-CE1 4.28Å; W28-Y30 HydrophobicContact CB-CE2 3.54Å; W28-Y30 HydrophobicContact CG-CE2 4.5Å; W28-Y30 PolarHBondContact O-N 3.47Å; W28-V52 HydrophobicContact CZ3-CB 4.38Å |
| 29 | L | 52 | Low | 44.9 | Very low | 29 Ų | 29 | 124 Ų | 124 | 15% | 0.152 | 64% | 0.64 | C | S | . | * | trans | -92.7 | 79.7 | -177.9 | -105.1 | 165.2 | 0 | 0 | 0 | 112.3 | K55 D70 I71 | L29-K55 WeakPolarHBondContact O-CE 3.08Å; L29-D70 HydrophobicContact CD1-CB 3.9Å; L29-D70 HydrophobicContact CD2-CB 3.69Å; L29-D70 WeakPolarHBondContact CD2-O 3.39Å; L29-D70 HydrophobicContact CG-CB 4.44Å; L29-I71 HydrophobicContact CD1-CD1 4.44Å; L29-I71 HydrophobicContact CD1-CG1 3.59Å | ||
| 30 | Y | 38 | Very low | 47.3 | Very low | 174 Ų | 174 | 120 Ų | 120 | 68% | 0.682 | 62% | 0.617 | S | S | * | * | trans | -68.4 | 156.8 | 177.4 | -57.8 | -72.4 | 0 | 0 | 0 | 113.3 | W28 K55 | W28-Y30 HydrophobicContact CB-CD2 4.22Å; W28-Y30 HydrophobicContact CB-CE1 4.28Å; W28-Y30 HydrophobicContact CB-CE2 3.54Å; W28-Y30 HydrophobicContact CG-CE2 4.5Å; W28-Y30 PolarHBondContact O-N 3.47Å; Y30-K55 WeakPolarHBondContact O-CE 3.35Å; Y30-K55 PolarHBondContact O-NZ 3.23Å | ||
| 31 | D | 42 | Very low | 49.9 | Very low | 69 Ų | 69 | 115.6 Ų | 115.6 | 37% | 0.369 | 59% | 0.594 | S | S | . | * | trans | -139.3 | 127.7 | 161 | 156.7 | 68.4 | 0 | 0 | 0 | 105.8 | K33 R38 K55 | D31-K33 PolarHBondContact O-N 3.17Å; D31-R38 PolarHBondContact O-NH1 3.19Å; D31-R38 IonicContact OD2-CZ 2.95Å; D31-R38 IonicContact OD2-NH1 3.72Å; D31-R38 IonicContact OD2-NH2 3.22Å; D31-R38 PolarHBondContact OD2-NH2 2.68Å; D31-K55 HydrophobicContact CB-CD 4.38Å | ||
| 32 | E | 49.2 | Very low | 52.7 | Low | 190 Ų | 190 | 109.5 Ų | 109.5 | 89% | 0.888 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 5.8 | -157.6 | -65.1 | -177.3 | 109.3 | 0 | 0 | 115.5 | ||
| 33 | K | 53.6 | Low | 55.3 | Low | 182 Ų | 182 | 109.5 Ų | 109.5 | 79% | 0.791 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.7 | -17.9 | -166.9 | -70.7 | -169.7 | 173.8 | -176.2 | 0 | 117.8 | D31 | D31-K33 PolarHBondContact O-N 3.17Š|
| 34 | D | 44.8 | Very low | 58.2 | Low | 101 Ų | 101 | 101.9 Ų | 101.9 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | trans | -116.6 | 101.8 | 169 | -50.2 | -50.4 | 0 | 0 | 0 | 110.7 | A36 R38 | D34-A36 PolarHBondContact O-N 2.77Å; D34-A36 VanDerWaalsContact O-N 3.16Å; D34-R38 VanDerWaalsContact CG-NH2 3.32Å; D34-R38 IonicContact OD2-CZ 3.74Å; D34-R38 IonicContact OD2-NE 2.7Å; D34-R38 PolarHBondContact OD2-NE 3.03Å; D34-R38 IonicContact OD2-NH2 2.82Å; D34-R38 PolarHBondContact OD2-NH2 3.49Å | ||
| 35 | S | 42.9 | Very low | 60.7 | Low | 130 Ų | 130 | 93.4 Ų | 93.4 | 91% | 0.909 | 48% | 0.478 | S | S | * | . | trans | -81.4 | 21.2 | 179.9 | -51.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 36 | A | 42.3 | Very low | 62.9 | Low | 75 Ų | 75 | 84.4 Ų | 84.4 | 62% | 0.62 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -117.5 | 129.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | D34 R38 | D34-A36 PolarHBondContact O-N 2.77Å; D34-A36 VanDerWaalsContact O-N 3.16Å; A36-R38 PolarHBondContact O-N 2.93Å |
| 37 | A | 48.6 | Very low | 64.9 | Low | 108 Ų | 108 | 86.9 Ų | 86.9 | 89% | 0.893 | 46% | 0.463 | S | S | * | . | trans | -27.1 | 88.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V39 | A37-V39 PolarHBondContact O-N 2.95Š| ||
| 38 | R | 59.6 | Low | 66.5 | Low | 75 Ų | 75 | 92.8 Ų | 92.8 | 28% | 0.283 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 124 | -179 | -71.9 | -170 | 174.3 | 136 | -18.1 | 111 | D31 D34 A36 C54 | D31-R38 PolarHBondContact O-NH1 3.19Å; D31-R38 IonicContact OD2-CZ 2.95Å; D31-R38 IonicContact OD2-NH1 3.72Å; D31-R38 IonicContact OD2-NH2 3.22Å; D31-R38 PolarHBondContact OD2-NH2 2.68Å; D34-R38 VanDerWaalsContact CG-NH2 3.32Å; D34-R38 IonicContact OD2-CZ 3.74Å; D34-R38 IonicContact OD2-NE 2.7Å; D34-R38 PolarHBondContact OD2-NE 3.03Å; D34-R38 IonicContact OD2-NH2 2.82Å; D34-R38 PolarHBondContact OD2-NH2 3.49Å; A36-R38 PolarHBondContact O-N 2.93Å; R38-C54 HydrophobicContact CB-CB 3.99Å |
| 39 | V | 79 | Confident | 68.1 | Low | 102 Ų | 102 | 88.2 Ų | 88.2 | 62% | 0.618 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 138 | 176.2 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | A37 L41 | A37-V39 PolarHBondContact O-N 2.95Å; V39-L41 PolarHBondContact O-N 2.74Å |
| 40 | P | 86.6 | Confident | 69.8 | Low | 61 Ų | 61 | 88.9 Ų | 88.9 | 40% | 0.396 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -69 | 120.7 | 172.9 | 29.7 | -35.4 | 0 | 0 | 0 | 110.4 | V52 L142 | P40-V52 HydrophobicContact CB-CG1 3.66Å; P40-L142 HydrophobicContact CB-CD1 3.94Å; P40-L142 HydrophobicContact CG-CD1 4.5Å |
| 41 | L | 89.3 | Confident | 72.2 | Confident | 35 Ų | 35 | 81.7 Ų | 81.7 | 18% | 0.183 | 45% | 0.451 | C | S | . | . | trans | -96.8 | -28.7 | -174.6 | -55.2 | 176.1 | 0 | 0 | 0 | 112.6 | V39 V53 L89 W95 L142 T143 | V39-L41 PolarHBondContact O-N 2.74Å; L41-V53 PolarHBondContact N-O 3.37Å; L41-L89 HydrophobicContact CD1-CD2 4.04Å; L41-L89 HydrophobicContact CD2-CD2 4.38Å; L41-W95 HydrophobicContact CB-CH2 4.4Å; L41-W95 HydrophobicContact CB-CZ2 3.8Å; L41-L142 PolarHBondContact O-N 3.07Å; L41-T143 HydrophobicContact CB-CG2 4.23Å; L41-T143 HydrophobicContact CD2-CG2 4.12Å; L41-T143 PolarHBondContact O-N 3.23Å | ||
| 42 | A | 92.3 | Very high | 74.5 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 166.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | V53 W95 F139 R140 | A42-V53 HydrophobicContact CB-CB 4.05Å; A42-V53 HydrophobicContact CB-CG1 4.36Å; A42-V53 PolarHBondContact N-O 3.02Å; A42-V53 WeakPolarHBondContact O-CB 3.36Å; A42-V53 PolarHBondContact O-N 3.15Å; A42-W95 HydrophobicContact CB-CH2 4.34Å; A42-W95 HydrophobicContact CB-CZ2 3.67Å; A42-F139 HydrophobicContact CB-CD2 4.47Å; A42-F139 HydrophobicContact CB-CE2 3.56Å; A42-F139 HydrophobicContact CB-CZ 3.85Å; A42-R140 CarbonylContact C-O 3.48Å; A42-R140 VanDerWaalsContact CA-O 3.25Å; A42-R140 WeakPolarHBondContact CA-O 3.4Å; A42-R140 WeakPolarHBondContact CB-O 3.47Å |
| 43 | R | 91.8 | Very high | 76.4 | Confident | 112 Ų | 112 | 70.7 Ų | 70.7 | 42% | 0.423 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.3 | 164.9 | -158.9 | 173.8 | 81.7 | -172.6 | 6.6 | 109 | D45 F51 R140 L142 | R43-D45 IonicContact CZ-OD1 3.71Å; R43-D45 IonicContact CZ-OD2 2.89Å; R43-D45 VanDerWaalsContact NE-CG 3.28Å; R43-D45 IonicContact NE-OD1 3.59Å; R43-D45 PolarHBondContact NE-OD1 3.09Å; R43-D45 IonicContact NE-OD2 3.5Å; R43-D45 PolarHBondContact NE-OD2 3.16Å; R43-D45 IonicContact NH2-OD1 3.26Å; R43-D45 IonicContact NH2-OD2 3.43Å; R43-D45 PolarHBondContact NH2-OD2 3.32Å; R43-F51 WeakPolarHBondContact CA-O 3.28Å; R43-F51 WeakPolarHBondContact CG-O 3.46Å; R43-R140 PolarHBondContact N-O 3.05Å; R43-R140 PolarHBondContact O-N 2.92Å; R43-L142 HydrophobicContact CB-CD1 4.46Å |
| 44 | V | 93.4 | Very high | 78 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 108 | 172.8 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | F51 V53 I60 I71 L137 H138 F139 | V44-F51 HydrophobicContact CB-CB 4.4Å; V44-F51 PolarHBondContact N-O 2.93Å; V44-F51 PolarHBondContact O-N 3.09Å; V44-V53 HydrophobicContact CG2-CG2 4Å; V44-I60 HydrophobicContact CG1-CD1 4.46Å; V44-I71 HydrophobicContact CB-CD1 3.92Å; V44-I71 HydrophobicContact CG1-CD1 4.11Å; V44-I71 HydrophobicContact CG2-CD1 3.99Å; V44-L137 HydrophobicContact CG1-CB 4.02Å; V44-L137 HydrophobicContact CG1-CD1 4.26Å; V44-L137 HydrophobicContact CG1-CD2 4.36Å; V44-L137 HydrophobicContact CG1-CG 4.45Å; V44-H138 WeakPolarHBondContact CA-O 3.23Å; V44-F139 HydrophobicContact CG2-CD2 3.99Å |
| 45 | D | 91.6 | Very high | 80 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 140.3 | 178.2 | -58.5 | -52 | 0 | 0 | 0 | 110.4 | R43 S50 L137 H138 | R43-D45 IonicContact CZ-OD1 3.71Å; R43-D45 IonicContact CZ-OD2 2.89Å; R43-D45 VanDerWaalsContact NE-CG 3.28Å; R43-D45 IonicContact NE-OD1 3.59Å; R43-D45 PolarHBondContact NE-OD1 3.09Å; R43-D45 IonicContact NE-OD2 3.5Å; R43-D45 PolarHBondContact NE-OD2 3.16Å; R43-D45 IonicContact NH2-OD1 3.26Å; R43-D45 IonicContact NH2-OD2 3.43Å; R43-D45 PolarHBondContact NH2-OD2 3.32Å; D45-S50 WeakPolarHBondContact OD1-CB 3.33Å; D45-S50 PolarHBondContact OD1-OG 2.88Å; D45-L137 CarbonylContact O-C 3.56Å; D45-L137 VanDerWaalsContact O-CA 3.27Å; D45-L137 WeakPolarHBondContact O-CA 3.47Å; D45-H138 HydrophobicContact CB-CB 4.36Å; D45-H138 PolarHBondContact N-O 3.43Å; D45-H138 PolarHBondContact O-N 3.15Å |
| 46 | S | 87.3 | Confident | 82.2 | Confident | 35 Ų | 35 | 58 Ų | 58 | 25% | 0.245 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 166.8 | 168.1 | 68.4 | 0 | 0 | 0 | 0 | 109.2 | E48 V49 | S46-E48 PolarHBondContact O-N 2.91Å; S46-V49 PolarHBondContact N-O 3.22Å; S46-V49 PolarHBondContact O-N 2.79Å; S46-V49 PolarHBondContact OG-N 3.22Å; S46-V49 VanDerWaalsContact OG-N 3.09Å; S46-V49 PolarHBondContact OG-O 2.92Å |
| 47 | D | 81.9 | Confident | 84.5 | Confident | 131 Ų | 131 | 61 Ų | 61 | 70% | 0.701 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -57.8 | -25.7 | -176.4 | -52.3 | -60.1 | 0 | 0 | 0 | 113.4 | ||
| 48 | E | 79.7 | Confident | 86.6 | Confident | 179 Ų | 179 | 56 Ų | 56 | 84% | 0.836 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -107.3 | -31.6 | 179.1 | -63.7 | -175.3 | -178.8 | 0 | 0 | 114.7 | S46 | S46-E48 PolarHBondContact O-N 2.91Š|
| 49 | V | 84.9 | Confident | 88.2 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 26% | 0.261 | 28% | 0.284 | S | S | . | . | trans | -143.6 | 134.6 | -167.6 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | S46 F51 | S46-V49 PolarHBondContact N-O 3.22Å; S46-V49 PolarHBondContact O-N 2.79Å; S46-V49 PolarHBondContact OG-N 3.22Å; S46-V49 VanDerWaalsContact OG-N 3.09Å; S46-V49 PolarHBondContact OG-O 2.92Å; V49-F51 HydrophobicContact CB-CE2 3.87Å; V49-F51 HydrophobicContact CB-CZ 3.98Å; V49-F51 HydrophobicContact CG1-CD1 4.43Å; V49-F51 HydrophobicContact CG1-CD2 4.23Å; V49-F51 HydrophobicContact CG1-CE1 3.97Å; V49-F51 HydrophobicContact CG1-CE2 3.74Å; V49-F51 HydrophobicContact CG1-CZ 3.6Å | ||
| 50 | S | 86.9 | Confident | 88.9 | Confident | 44 Ų | 44 | 48.9 Ų | 48.9 | 31% | 0.308 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 130.2 | 167.6 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | D45 | D45-S50 WeakPolarHBondContact OD1-CB 3.33Å; D45-S50 PolarHBondContact OD1-OG 2.88Å |
| 51 | F | 89.5 | Confident | 89.2 | Confident | 23 Ų | 23 | 46 Ų | 46 | 10% | 0.101 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.1 | 176.9 | -58.5 | -90.7 | 0 | 0 | 0 | 110.4 | R43 V44 V49 I71 | R43-F51 WeakPolarHBondContact CA-O 3.28Å; R43-F51 WeakPolarHBondContact CG-O 3.46Å; V44-F51 HydrophobicContact CB-CB 4.4Å; V44-F51 PolarHBondContact N-O 2.93Å; V44-F51 PolarHBondContact O-N 3.09Å; V49-F51 HydrophobicContact CB-CE2 3.87Å; V49-F51 HydrophobicContact CB-CZ 3.98Å; V49-F51 HydrophobicContact CG1-CD1 4.43Å; V49-F51 HydrophobicContact CG1-CD2 4.23Å; V49-F51 HydrophobicContact CG1-CE1 3.97Å; V49-F51 HydrophobicContact CG1-CE2 3.74Å; V49-F51 HydrophobicContact CG1-CZ 3.6Å; F51-I71 HydrophobicContact CB-CD1 4.01Å; F51-I71 HydrophobicContact CB-CG1 4.44Å; F51-I71 HydrophobicContact CD1-CG1 4.33Å; F51-I71 HydrophobicContact CD1-CG2 4.46Å; F51-I71 HydrophobicContact CD2-CG2 4.03Å; F51-I71 HydrophobicContact CE1-CG2 4.33Å; F51-I71 HydrophobicContact CE2-CG2 3.9Å; F51-I71 HydrophobicContact CG-CD1 4.2Å; F51-I71 HydrophobicContact CG-CG1 4.26Å; F51-I71 HydrophobicContact CG-CG2 4.31Å; F51-I71 HydrophobicContact CZ-CG2 4.06Å |
| 52 | V | 89.6 | Confident | 89.2 | Confident | 26 Ų | 26 | 47.2 Ų | 47.2 | 16% | 0.158 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 122.2 | 172.1 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | W28 P40 | W28-V52 HydrophobicContact CZ3-CB 4.38Å; P40-V52 HydrophobicContact CB-CG1 3.66Å |
| 53 | V | 89.3 | Confident | 89.1 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 112.1 | -176.9 | 168.3 | 0 | 0 | 0 | 0 | 109.7 | L41 A42 V44 K55 V58 I71 W95 | L41-V53 PolarHBondContact N-O 3.37Å; A42-V53 HydrophobicContact CB-CB 4.05Å; A42-V53 HydrophobicContact CB-CG1 4.36Å; A42-V53 PolarHBondContact N-O 3.02Å; A42-V53 WeakPolarHBondContact O-CB 3.36Å; A42-V53 PolarHBondContact O-N 3.15Å; V44-V53 HydrophobicContact CG2-CG2 4Å; V53-K55 WeakPolarHBondContact CG1-O 3.21Å; V53-V58 HydrophobicContact CB-CG2 4.37Å; V53-V58 HydrophobicContact CG1-CG2 3.44Å; V53-V58 VanDerWaalsContact CG1-CG2 3.44Å; V53-V58 HydrophobicContact CG2-CG2 4.06Å; V53-I71 HydrophobicContact CG2-CD1 4.41Å; V53-W95 HydrophobicContact CG1-CH2 3.75Å; V53-W95 HydrophobicContact CG1-CZ2 4.38Å |
| 54 | C | 87.4 | Confident | 88.7 | Confident | 27 Ų | 27 | 50 Ų | 50 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | trans | -109.1 | 10.8 | 174.8 | -56.2 | 0 | 0 | 0 | 0 | 113 | R38 | R38-C54 HydrophobicContact CB-CB 3.99Š| ||
| 55 | K | 86.6 | Confident | 88.2 | Confident | 42 Ų | 42 | 58.2 Ų | 58.2 | 18% | 0.183 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -110.5 | 142.9 | 179.3 | -56.3 | -175.4 | -172.9 | -175.1 | 0 | 110.2 | L29 Y30 D31 V53 R57 V58 D70 | L29-K55 WeakPolarHBondContact O-CE 3.08Å; Y30-K55 WeakPolarHBondContact O-CE 3.35Å; Y30-K55 PolarHBondContact O-NZ 3.23Å; D31-K55 HydrophobicContact CB-CD 4.38Å; V53-K55 WeakPolarHBondContact CG1-O 3.21Å; K55-R57 VanDerWaalsContact CB-O 3.25Å; K55-R57 WeakPolarHBondContact CB-O 3.28Å; K55-R57 PolarHBondContact O-N 3.21Å; K55-V58 HydrophobicContact CB-CG2 4.21Å; K55-D70 IonicContact NZ-OD1 3.63Å; K55-D70 PolarHBondContact NZ-OD1 3.19Å |
| 56 | S | 87.9 | Confident | 87.8 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 53% | 0.531 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -70.5 | -14.1 | 172.3 | 53.9 | 0 | 0 | 0 | 0 | 113.6 | Q88 L89 | S56-Q88 WeakPolarHBondContact O-CA 3.27Å; S56-L89 PolarHBondContact O-N 3.42Å |
| 57 | R | 91.6 | Very high | 87.5 | Confident | 140 Ų | 140 | 66 Ų | 66 | 53% | 0.528 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 131.1 | 176.6 | -176.6 | -177.9 | -173.6 | -152.1 | -4 | 109.3 | K55 E86 L87 Q88 | K55-R57 VanDerWaalsContact CB-O 3.25Å; K55-R57 WeakPolarHBondContact CB-O 3.28Å; K55-R57 PolarHBondContact O-N 3.21Å; R57-E86 HydrophobicContact CG-CG 4.25Å; R57-E86 IonicContact CZ-OE1 2.7Å; R57-E86 IonicContact CZ-OE2 3.69Å; R57-E86 IonicContact NE-OE1 3.83Å; R57-E86 PolarHBondContact NE-OE1 3.45Å; R57-E86 IonicContact NE-OE2 3.17Å; R57-E86 VanDerWaalsContact NH2-CD 3.28Å; R57-E86 IonicContact NH2-OE1 2.81Å; R57-E86 PolarHBondContact NH2-OE1 2.91Å; R57-E86 VanDerWaalsContact NH2-OE1 3.16Å; R57-E86 IonicContact NH2-OE2 2.97Å; R57-E86 PolarHBondContact NH2-OE2 3.35Å; R57-L87 CarbonylContact C-O 3.58Å; R57-L87 WeakPolarHBondContact CA-O 3.12Å; R57-Q88 HydrophobicContact CG-CG 4.33Å |
| 58 | V | 92.6 | Very high | 87.6 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 124.5 | 178.9 | 177.4 | 0 | 0 | 0 | 0 | 110.3 | V53 K55 I60 D70 I71 E86 L87 | V53-V58 HydrophobicContact CB-CG2 4.37Å; V53-V58 HydrophobicContact CG1-CG2 3.44Å; V53-V58 VanDerWaalsContact CG1-CG2 3.44Å; V53-V58 HydrophobicContact CG2-CG2 4.06Å; K55-V58 HydrophobicContact CB-CG2 4.21Å; V58-I60 HydrophobicContact CG1-CG1 4.08Å; V58-D70 HydrophobicContact CG1-CB 3.84Å; V58-I71 HydrophobicContact CG1-CD1 3.95Å; V58-I71 HydrophobicContact CG1-CG1 4.02Å; V58-E86 CarbonylContact O-C 3.6Å; V58-E86 WeakPolarHBondContact O-CA 3.44Å; V58-L87 PolarHBondContact N-O 2.98Å; V58-L87 PolarHBondContact O-N 3.31Å |
| 59 | V | 93.1 | Very high | 88.1 | Confident | 27 Ų | 27 | 56.1 Ų | 56.1 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 127.5 | 173 | -179 | 0 | 0 | 0 | 0 | 109.9 | P69 D70 I71 A83 E86 | V59-P69 HydrophobicContact CG1-CB 4.09Å; V59-D70 PolarHBondContact N-OD2 3.45Å; V59-D70 WeakPolarHBondContact O-CB 3.39Å; V59-D70 PolarHBondContact O-N 3.49Å; V59-I71 PolarHBondContact O-N 3.11Å; V59-I71 VanDerWaalsContact O-N 3.07Å; V59-A83 HydrophobicContact CG1-CB 3.45Å; V59-A83 VanDerWaalsContact CG1-CB 3.45Å; V59-E86 HydrophobicContact CG2-CG 4.14Å |
| 60 | I | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 132.5 | 177.5 | -48.7 | -164.3 | 0 | 0 | 0 | 109.9 | V44 V58 I71 I73 H84 L85 L87 F130 L137 | V44-I60 HydrophobicContact CG1-CD1 4.46Å; V58-I60 HydrophobicContact CG1-CG1 4.08Å; I60-I71 HydrophobicContact CB-CB 4.39Å; I60-I71 HydrophobicContact CD1-CB 4.31Å; I60-I71 HydrophobicContact CD1-CD1 3.86Å; I60-I71 HydrophobicContact CG1-CB 4.02Å; I60-I71 HydrophobicContact CG1-CD1 4.26Å; I60-I71 HydrophobicContact CG1-CG1 4.46Å; I60-I71 HydrophobicContact CG2-CB 4.09Å; I60-I71 HydrophobicContact CG2-CG2 4.12Å; I60-I73 HydrophobicContact CG2-CD1 3.63Å; I60-I73 HydrophobicContact CG2-CG1 4.1Å; I60-H84 PolarHBondContact O-N 2.92Å; I60-L85 HydrophobicContact CB-CD1 3.88Å; I60-L85 HydrophobicContact CB-CG 4.02Å; I60-L85 HydrophobicContact CD1-CD1 3.95Å; I60-L85 HydrophobicContact CG1-CD1 3.85Å; I60-L85 PolarHBondContact N-O 2.9Å; I60-L85 PolarHBondContact O-N 3.09Å; I60-L85 VanDerWaalsContact O-N 3.17Å; I60-L87 HydrophobicContact CD1-CD1 4.02Å; I60-F130 HydrophobicContact CG2-CZ 4.43Å; I60-L137 HydrophobicContact CD1-CD1 4.17Å; I60-L137 HydrophobicContact CG2-CD1 3.83Å |
| 61 | G | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172 | -168.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | P69 I71 I73 S81 R82 | G61-P69 WeakPolarHBondContact O-CG 3.34Å; G61-I71 PolarHBondContact N-O 3.46Å; G61-I71 VanDerWaalsContact N-O 3.14Å; G61-I73 PolarHBondContact O-N 2.93Å; G61-S81 CarbonylContact C-O 3.6Å; G61-S81 VanDerWaalsContact CA-O 3.26Å; G61-S81 WeakPolarHBondContact CA-O 3.14Å; G61-R82 CarbonylContact C-O 3.41Å; G61-R82 WeakPolarHBondContact CA-O 3.44Å |
| 62 | R | 91.3 | Very high | 88.3 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 23% | 0.23 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 135.8 | 178.2 | 166.2 | 164.1 | 53.8 | 120.2 | -12.4 | 111.3 | C78 V80 S81 R82 | R62-C78 VanDerWaalsContact CZ-CB 3.46Å; R62-C78 PolarHBondContact NH1-SG 3.1Å; R62-C78 PolarHBondContact NH2-O 2.95Å; R62-V80 HydrophobicContact CB-CB 4.46Å; R62-V80 HydrophobicContact CB-CG1 4.43Å; R62-V80 PolarHBondContact NE-O 3.34Å; R62-V80 PolarHBondContact NH2-O 2.99Å; R62-S81 PolarHBondContact N-O 3.06Å; R62-R82 PolarHBondContact N-O 3.48Å; R62-R82 VanDerWaalsContact O-CA 3.29Å; R62-R82 WeakPolarHBondContact O-CA 3.32Å |
| 63 | Y | 88.7 | Confident | 88.2 | Confident | 158 Ų | 158 | 54.3 Ų | 54.3 | 62% | 0.62 | 27% | 0.273 | S | S | * | . | trans | -54.1 | 142.8 | 177.2 | -173.6 | -94.6 | 0 | 0 | 0 | 113.1 | P68 | Y63-P68 HydrophobicContact CD2-CB 4.33Å; Y63-P68 HydrophobicContact CE2-CB 3.93Å | ||
| 64 | S | 85 | Confident | 87.8 | Confident | 12 Ų | 12 | 60.3 Ų | 60.3 | 8% | 0.084 | 31% | 0.31 | C | S | . | . | trans | -151.7 | 124.3 | -175.9 | 169.8 | 0 | 0 | 0 | 0 | 111 | R66 S67 P68 | S64-R66 PolarHBondContact O-N 2.98Å; S64-R66 VanDerWaalsContact O-N 3.11Å; S64-S67 WeakPolarHBondContact CB-O 3.4Å; S64-S67 CarbonylContact O-C 3.59Å; S64-S67 PolarHBondContact O-N 3.45Å; S64-S67 PolarHBondContact OG-OG 3.11Å; S64-P68 VanDerWaalsContact O-N 3.14Å | ||
| 65 | Q | 82.3 | Confident | 87.1 | Confident | 174 Ų | 174 | 60.2 Ų | 60.2 | 81% | 0.813 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -27.3 | 179 | -67.9 | 173.6 | -17.4 | 0 | 0 | 114.1 | ||
| 66 | R | 82.2 | Confident | 86.3 | Confident | 158 Ų | 158 | 69.7 Ų | 69.7 | 60% | 0.596 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -14.7 | 179 | -66.9 | -168.4 | -179.8 | -142.8 | -4.9 | 114 | S64 D228 | S64-R66 PolarHBondContact O-N 2.98Å; S64-R66 VanDerWaalsContact O-N 3.11Å; R66-D228 IonicContact CZ-OD1 2.68Å; R66-D228 IonicContact NH2-OD1 3.6Å; R66-D228 PolarHBondContact NH2-OD1 3.42Å; R66-D228 IonicContact NH2-OD2 3.33Å |
| 67 | S | 80.8 | Confident | 85.5 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 43% | 0.427 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -171 | 77.9 | -168.8 | 60.9 | 0 | 0 | 0 | 0 | 109.4 | S64 | S64-S67 WeakPolarHBondContact CB-O 3.4Å; S64-S67 CarbonylContact O-C 3.59Å; S64-S67 PolarHBondContact O-N 3.45Å; S64-S67 PolarHBondContact OG-OG 3.11Å |
| 68 | P | 85 | Confident | 85 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 57% | 0.571 | 33% | 0.325 | S | S | * | . | trans | -62.6 | 130.5 | 175.8 | 26.5 | -33.3 | 0 | 0 | 0 | 109.1 | Y63 S64 | Y63-P68 HydrophobicContact CD2-CB 4.33Å; Y63-P68 HydrophobicContact CE2-CB 3.93Å; S64-P68 VanDerWaalsContact O-N 3.14Å | ||
| 69 | P | 89.6 | Confident | 84.6 | Confident | 14 Ų | 14 | 67.2 Ų | 67.2 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | trans | -68.2 | 158.7 | 166.1 | 31.3 | -34 | 0 | 0 | 0 | 109.5 | V59 G61 | V59-P69 HydrophobicContact CG1-CB 4.09Å; G61-P69 WeakPolarHBondContact O-CG 3.34Å | ||
| 70 | D | 89.4 | Confident | 84.4 | Confident | 44 Ų | 44 | 66 Ų | 66 | 24% | 0.235 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -61.2 | -56.9 | 171.6 | -66.5 | -79.6 | 0 | 0 | 0 | 110.1 | L29 K55 V58 V59 | L29-D70 HydrophobicContact CD1-CB 3.9Å; L29-D70 HydrophobicContact CD2-CB 3.69Å; L29-D70 WeakPolarHBondContact CD2-O 3.39Å; L29-D70 HydrophobicContact CG-CB 4.44Å; K55-D70 IonicContact NZ-OD1 3.63Å; K55-D70 PolarHBondContact NZ-OD1 3.19Å; V58-D70 HydrophobicContact CG1-CB 3.84Å; V59-D70 PolarHBondContact N-OD2 3.45Å; V59-D70 WeakPolarHBondContact O-CB 3.39Å; V59-D70 PolarHBondContact O-N 3.49Å |
| 71 | I | 90.2 | Very high | 84.2 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 102.1 | 175.5 | -60.5 | 178.4 | 0 | 0 | 0 | 108.6 | L29 V44 F51 V53 V58 V59 I60 G61 | L29-I71 HydrophobicContact CD1-CD1 4.44Å; L29-I71 HydrophobicContact CD1-CG1 3.59Å; V44-I71 HydrophobicContact CB-CD1 3.92Å; V44-I71 HydrophobicContact CG1-CD1 4.11Å; V44-I71 HydrophobicContact CG2-CD1 3.99Å; F51-I71 HydrophobicContact CB-CD1 4.01Å; F51-I71 HydrophobicContact CB-CG1 4.44Å; F51-I71 HydrophobicContact CD1-CG1 4.33Å; F51-I71 HydrophobicContact CD1-CG2 4.46Å; F51-I71 HydrophobicContact CD2-CG2 4.03Å; F51-I71 HydrophobicContact CE1-CG2 4.33Å; F51-I71 HydrophobicContact CE2-CG2 3.9Å; F51-I71 HydrophobicContact CG-CD1 4.2Å; F51-I71 HydrophobicContact CG-CG1 4.26Å; F51-I71 HydrophobicContact CG-CG2 4.31Å; F51-I71 HydrophobicContact CZ-CG2 4.06Å; V53-I71 HydrophobicContact CG2-CD1 4.41Å; V58-I71 HydrophobicContact CG1-CD1 3.95Å; V58-I71 HydrophobicContact CG1-CG1 4.02Å; V59-I71 PolarHBondContact O-N 3.11Å; V59-I71 VanDerWaalsContact O-N 3.07Å; I60-I71 HydrophobicContact CB-CB 4.39Å; I60-I71 HydrophobicContact CD1-CB 4.31Å; I60-I71 HydrophobicContact CD1-CD1 3.86Å; I60-I71 HydrophobicContact CG1-CB 4.02Å; I60-I71 HydrophobicContact CG1-CD1 4.26Å; I60-I71 HydrophobicContact CG1-CG1 4.46Å; I60-I71 HydrophobicContact CG2-CB 4.09Å; I60-I71 HydrophobicContact CG2-CG2 4.12Å; G61-I71 PolarHBondContact N-O 3.46Å; G61-I71 VanDerWaalsContact N-O 3.14Å |
| 72 | G | 87.3 | Confident | 84.1 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 111.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 73 | I | 86.6 | Confident | 84.1 | Confident | 18 Ų | 18 | 71.2 Ų | 71.2 | 9% | 0.092 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.7 | 175.6 | -65 | 177.8 | 0 | 0 | 0 | 110.4 | I60 G61 D75 V80 F130 L135 L137 | I60-I73 HydrophobicContact CG2-CD1 3.63Å; I60-I73 HydrophobicContact CG2-CG1 4.1Å; G61-I73 PolarHBondContact O-N 2.93Å; I73-D75 VanDerWaalsContact C-N 3.31Å; I73-D75 HydrophobicContact CG2-CB 4.19Å; I73-D75 PolarHBondContact O-N 2.86Å; I73-D75 VanDerWaalsContact O-N 3.12Å; I73-V80 HydrophobicContact CB-CG1 4.49Å; I73-V80 HydrophobicContact CD1-CG1 4.2Å; I73-V80 HydrophobicContact CG2-CG1 4.49Å; I73-V80 HydrophobicContact CG2-CG2 4.34Å; I73-F130 HydrophobicContact CD1-CD2 4.4Å; I73-F130 HydrophobicContact CD1-CE1 4.03Å; I73-F130 HydrophobicContact CD1-CE2 3.44Å; I73-F130 VanDerWaalsContact CD1-CE2 3.44Å; I73-F130 HydrophobicContact CD1-CZ 3.22Å; I73-L135 HydrophobicContact CG2-CD1 3.58Å; I73-L137 HydrophobicContact CD1-CD1 4.25Å |
| 74 | V | 80.9 | Confident | 84.2 | Confident | 128 Ų | 128 | 63.8 Ų | 63.8 | 78% | 0.776 | 34% | 0.341 | S | S | * | . | trans | -85.8 | 69.8 | 175.9 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 75 | D | 72.7 | Confident | 84.6 | Confident | 24 Ų | 24 | 63.2 Ų | 63.2 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | trans | -89.8 | 114.8 | 173.6 | 169.7 | 30.7 | 0 | 0 | 0 | 111.4 | I73 G77 C78 L79 V80 L135 | I73-D75 VanDerWaalsContact C-N 3.31Å; I73-D75 HydrophobicContact CG2-CB 4.19Å; I73-D75 PolarHBondContact O-N 2.86Å; I73-D75 VanDerWaalsContact O-N 3.12Å; D75-G77 WeakPolarHBondContact OD1-CA 3.44Å; D75-G77 PolarHBondContact OD1-N 3.05Å; D75-C78 VanDerWaalsContact OD2-CA 3.29Å; D75-C78 WeakPolarHBondContact OD2-CA 3.46Å; D75-C78 PolarHBondContact OD2-N 3.2Å; D75-C78 VanDerWaalsContact OD2-N 3.07Å; D75-L79 PolarHBondContact OD2-N 3.13Å; D75-V80 HydrophobicContact CB-CB 3.95Å; D75-V80 HydrophobicContact CB-CG2 3.82Å; D75-V80 PolarHBondContact OD2-N 2.9Å; D75-L135 HydrophobicContact CB-CD1 4.39Å | ||
| 76 | R | 69.7 | Low | 85.2 | Confident | 242 Ų | 242 | 55.4 Ų | 55.4 | 91% | 0.913 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -27.6 | 176.5 | -60.4 | -174 | -174 | -168.3 | 3.4 | 113.1 | ||
| 77 | G | 71.5 | Confident | 85.7 | Confident | 37 Ų | 37 | 48 Ų | 48 | 38% | 0.381 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -5.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | D75 L79 | D75-G77 WeakPolarHBondContact OD1-CA 3.44Å; D75-G77 PolarHBondContact OD1-N 3.05Å; G77-L79 PolarHBondContact O-N 3.24Å; G77-L79 VanDerWaalsContact O-N 3.07Å |
| 78 | C | 80.4 | Confident | 86.3 | Confident | 48 Ų | 48 | 48.3 Ų | 48.3 | 32% | 0.324 | 27% | 0.267 | S | S | . | . | S | Bend | trans | 59.6 | 10.7 | -174 | -70.4 | 0 | 0 | 0 | 0 | 115.7 | R62 D75 V80 | R62-C78 VanDerWaalsContact CZ-CB 3.46Å; R62-C78 PolarHBondContact NH1-SG 3.1Å; R62-C78 PolarHBondContact NH2-O 2.95Å; D75-C78 VanDerWaalsContact OD2-CA 3.29Å; D75-C78 WeakPolarHBondContact OD2-CA 3.46Å; D75-C78 PolarHBondContact OD2-N 3.2Å; D75-C78 VanDerWaalsContact OD2-N 3.07Å; C78-V80 VanDerWaalsContact C-N 3.32Å |
| 79 | L | 85.1 | Confident | 86.6 | Confident | 81 Ų | 81 | 46 Ų | 46 | 42% | 0.424 | 25% | 0.25 | S | C | . | . | trans | -69.1 | -30.4 | 179.4 | -55.2 | 176 | 0 | 0 | 0 | 111.7 | D75 G77 S132 T133 | D75-L79 PolarHBondContact OD2-N 3.13Å; G77-L79 PolarHBondContact O-N 3.24Å; G77-L79 VanDerWaalsContact O-N 3.07Å; L79-S132 WeakPolarHBondContact CD1-O 3.46Å; L79-T133 HydrophobicContact CB-CG2 4.09Å; L79-T133 HydrophobicContact CD1-CG2 4.17Å | ||
| 80 | V | 87.5 | Confident | 86.6 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -77.1 | 135.6 | 169.3 | -176.9 | 0 | 0 | 0 | 0 | 109.5 | R62 I73 D75 C78 H84 F130 T133 L135 | R62-V80 HydrophobicContact CB-CB 4.46Å; R62-V80 HydrophobicContact CB-CG1 4.43Å; R62-V80 PolarHBondContact NE-O 3.34Å; R62-V80 PolarHBondContact NH2-O 2.99Å; I73-V80 HydrophobicContact CB-CG1 4.49Å; I73-V80 HydrophobicContact CD1-CG1 4.2Å; I73-V80 HydrophobicContact CG2-CG1 4.49Å; I73-V80 HydrophobicContact CG2-CG2 4.34Å; D75-V80 HydrophobicContact CB-CB 3.95Å; D75-V80 HydrophobicContact CB-CG2 3.82Å; D75-V80 PolarHBondContact OD2-N 2.9Å; C78-V80 VanDerWaalsContact C-N 3.32Å; V80-H84 HydrophobicContact CG1-CB 4.04Å; V80-F130 HydrophobicContact CG1-CD1 4.2Å; V80-F130 HydrophobicContact CG1-CE1 4.05Å; V80-F130 HydrophobicContact CG2-CB 4.42Å; V80-F130 HydrophobicContact CG2-CD1 4.08Å; V80-F130 HydrophobicContact CG2-CG 4.13Å; V80-T133 HydrophobicContact CG2-CG2 4.29Å; V80-L135 HydrophobicContact CG2-CD1 4.36Å |
| 81 | S | 90.1 | Very high | 86.3 | Confident | 27 Ų | 27 | 53.9 Ų | 53.9 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | trans | -83.4 | 155.7 | -178.5 | -47.6 | 0 | 0 | 0 | 0 | 111.1 | G61 R62 A83 H84 | G61-S81 CarbonylContact C-O 3.6Å; G61-S81 VanDerWaalsContact CA-O 3.26Å; G61-S81 WeakPolarHBondContact CA-O 3.14Å; R62-S81 PolarHBondContact N-O 3.06Å; S81-A83 PolarHBondContact O-N 3.11Å; S81-H84 WeakPolarHBondContact CB-ND1 3.38Å; S81-H84 PolarHBondContact N-ND1 2.85Å; S81-H84 PolarHBondContact OG-ND1 2.98Å | ||
| 82 | R | 90 | Very high | 86 | Confident | 102 Ų | 102 | 57.5 Ų | 57.5 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -58.3 | -45.8 | -174.2 | -63.9 | 171.4 | 175.9 | 142.2 | -1.8 | 112.8 | G61 R62 L225 | G61-R82 CarbonylContact C-O 3.41Å; G61-R82 WeakPolarHBondContact CA-O 3.44Å; R62-R82 PolarHBondContact N-O 3.48Å; R62-R82 VanDerWaalsContact O-CA 3.29Å; R62-R82 WeakPolarHBondContact O-CA 3.32Å; R82-L225 PolarHBondContact NH2-O 3.19Å |
| 83 | A | 90.2 | Very high | 85.8 | Confident | 42 Ų | 42 | 56.8 Ų | 56.8 | 35% | 0.347 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -116.4 | 108.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | V59 S81 N100 | V59-A83 HydrophobicContact CG1-CB 3.45Å; V59-A83 VanDerWaalsContact CG1-CB 3.45Å; S81-A83 PolarHBondContact O-N 3.11Å; A83-N100 WeakPolarHBondContact O-CB 3.4Å |
| 84 | H | 91.8 | Very high | 86 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | trans | -102.6 | -36.2 | -174.6 | -169.3 | 97.1 | 0 | 0 | 0 | 112.2 | I60 V80 S81 N100 G101 G104 F130 | I60-H84 PolarHBondContact O-N 2.92Å; V80-H84 HydrophobicContact CG1-CB 4.04Å; S81-H84 WeakPolarHBondContact CB-ND1 3.38Å; S81-H84 PolarHBondContact N-ND1 2.85Å; S81-H84 PolarHBondContact OG-ND1 2.98Å; H84-N100 CarbonylContact O-C 3.57Å; H84-N100 PolarHBondContact O-N 2.98Å; H84-G101 PolarHBondContact O-N 3.45Å; H84-G104 PolarHBondContact NE2-O 3.28Å; H84-G104 VanDerWaalsContact NE2-O 3.09Å; H84-F130 HydrophobicContact CB-CE1 4.1Å; H84-F130 AromaticContact CD2-CD1 3.47Å; H84-F130 VanDerWaalsContact CD2-CD1 3.47Å; H84-F130 WeakPolarHBondContact CD2-CD1 3.07Å; H84-F130 AromaticContact CD2-CE1 3.41Å; H84-F130 VanDerWaalsContact CD2-CE1 3.41Å; H84-F130 WeakPolarHBondContact CD2-CE1 3.36Å; H84-F130 AromaticContact CG-CD1 3.97Å; H84-F130 AromaticContact CG-CE1 3.82Å; H84-F130 AromaticContact NE2-CD1 3.63Å | ||
| 85 | L | 93.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 161.5 | 167.5 | 68.1 | 88.1 | 0 | 0 | 0 | 109.5 | I60 L87 L97 L98 I105 L128 F130 | I60-L85 HydrophobicContact CB-CD1 3.88Å; I60-L85 HydrophobicContact CB-CG 4.02Å; I60-L85 HydrophobicContact CD1-CD1 3.95Å; I60-L85 HydrophobicContact CG1-CD1 3.85Å; I60-L85 PolarHBondContact N-O 2.9Å; I60-L85 PolarHBondContact O-N 3.09Å; I60-L85 VanDerWaalsContact O-N 3.17Å; L85-L87 HydrophobicContact CD1-CD2 3.81Å; L85-L87 HydrophobicContact CD1-CG 3.8Å; L85-L97 HydrophobicContact CB-CD2 4.39Å; L85-L97 HydrophobicContact CB-CG 4.37Å; L85-L97 HydrophobicContact CD1-CD1 4.29Å; L85-L97 HydrophobicContact CD1-CG 4.49Å; L85-L97 HydrophobicContact CD2-CD1 4.29Å; L85-L98 CarbonylContact C-O 3.53Å; L85-L98 WeakPolarHBondContact CA-O 3.29Å; L85-I105 HydrophobicContact CD2-CD1 3.77Å; L85-I105 HydrophobicContact CD2-CG1 3.79Å; L85-L128 HydrophobicContact CD1-CD1 4.44Å; L85-L128 HydrophobicContact CD2-CD1 4.15Å; L85-F130 HydrophobicContact CD2-CE1 4.25Å; L85-F130 HydrophobicContact CD2-CZ 4.14Å |
| 86 | E | 93.8 | Very high | 87.5 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 5% | 0.047 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.8 | 176.3 | -174.6 | -177.6 | 127.7 | 0 | 0 | 108.8 | R57 V58 V59 Q88 L97 L98 | R57-E86 HydrophobicContact CG-CG 4.25Å; R57-E86 IonicContact CZ-OE1 2.7Å; R57-E86 IonicContact CZ-OE2 3.69Å; R57-E86 IonicContact NE-OE1 3.83Å; R57-E86 PolarHBondContact NE-OE1 3.45Å; R57-E86 IonicContact NE-OE2 3.17Å; R57-E86 VanDerWaalsContact NH2-CD 3.28Å; R57-E86 IonicContact NH2-OE1 2.81Å; R57-E86 PolarHBondContact NH2-OE1 2.91Å; R57-E86 VanDerWaalsContact NH2-OE1 3.16Å; R57-E86 IonicContact NH2-OE2 2.97Å; R57-E86 PolarHBondContact NH2-OE2 3.35Å; V58-E86 CarbonylContact O-C 3.6Å; V58-E86 WeakPolarHBondContact O-CA 3.44Å; V59-E86 HydrophobicContact CG2-CG 4.14Å; E86-Q88 HydrophobicContact CG-CG 4.48Å; E86-Q88 PolarHBondContact OE1-NE2 2.76Å; E86-L97 CarbonylContact O-C 3.2Å; E86-L97 WeakPolarHBondContact O-CA 3.36Å; E86-L98 HydrophobicContact CB-CB 4.38Å; E86-L98 PolarHBondContact N-O 3.41Å; E86-L98 PolarHBondContact O-N 3.18Å |
| 87 | L | 93.7 | Very high | 88.7 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 128.7 | 176.4 | -58.1 | 179.3 | 0 | 0 | 0 | 108.8 | R57 V58 I60 L85 W95 T96 L97 I122 L128 F139 | R57-L87 CarbonylContact C-O 3.58Å; R57-L87 WeakPolarHBondContact CA-O 3.12Å; V58-L87 PolarHBondContact N-O 2.98Å; V58-L87 PolarHBondContact O-N 3.31Å; I60-L87 HydrophobicContact CD1-CD1 4.02Å; L85-L87 HydrophobicContact CD1-CD2 3.81Å; L85-L87 HydrophobicContact CD1-CG 3.8Å; L87-W95 HydrophobicContact CB-CE3 3.98Å; L87-W95 HydrophobicContact CB-CZ3 4.05Å; L87-T96 CarbonylContact C-O 3.56Å; L87-T96 WeakPolarHBondContact CA-O 3.32Å; L87-L97 HydrophobicContact CD2-CB 3.99Å; L87-L97 HydrophobicContact CD2-CD1 3.93Å; L87-L97 HydrophobicContact CD2-CG 4.02Å; L87-I122 HydrophobicContact CD2-CD1 3.96Å; L87-L128 HydrophobicContact CD2-CD1 4.46Å; L87-F139 HydrophobicContact CD1-CD2 3.66Å; L87-F139 HydrophobicContact CD1-CE2 3.87Å |
| 88 | Q | 92.8 | Very high | 89.6 | Confident | 68 Ų | 68 | 42.3 Ų | 42.3 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.9 | 177.4 | -67 | -174.2 | 3.2 | 0 | 0 | 110.5 | S56 R57 E86 T96 | S56-Q88 WeakPolarHBondContact O-CA 3.27Å; R57-Q88 HydrophobicContact CG-CG 4.33Å; E86-Q88 HydrophobicContact CG-CG 4.48Å; E86-Q88 PolarHBondContact OE1-NE2 2.76Å; Q88-T96 PolarHBondContact N-O 3.2Å; Q88-T96 PolarHBondContact O-N 2.93Å; Q88-T96 PolarHBondContact O-OG1 3Å |
| 89 | L | 92.4 | Very high | 90.2 | Very high | 39 Ų | 39 | 40.4 Ų | 40.4 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 120 | 169.2 | 177.4 | 61.4 | 0 | 0 | 0 | 109.4 | L41 S56 W95 T143 | L41-L89 HydrophobicContact CD1-CD2 4.04Å; L41-L89 HydrophobicContact CD2-CD2 4.38Å; S56-L89 PolarHBondContact O-N 3.42Å; L89-W95 HydrophobicContact CB-CD2 4.1Å; L89-W95 HydrophobicContact CB-CE3 4.05Å; L89-W95 HydrophobicContact CB-CH2 4.01Å; L89-W95 HydrophobicContact CB-CZ2 4.05Å; L89-W95 HydrophobicContact CB-CZ3 4Å; L89-W95 HydrophobicContact CD1-CD2 4.33Å; L89-W95 HydrophobicContact CD1-CG 4.41Å; L89-W95 HydrophobicContact CD2-CZ2 4.44Å; L89-T143 HydrophobicContact CD1-CG2 4.08Å; L89-T143 HydrophobicContact CD2-CG2 3.84Å |
| 90 | Q | 88.7 | Confident | 90.5 | Very high | 69 Ų | 69 | 39 Ų | 39 | 32% | 0.322 | 21% | 0.207 | S | C | . | . | trans | -80.7 | 160 | 174.9 | -64 | -165.7 | -21.6 | 0 | 0 | 111.8 | N92 G93 R94 T96 | Q90-N92 PolarHBondContact O-N 2.72Å; Q90-N92 VanDerWaalsContact O-N 3.07Å; Q90-N92 PolarHBondContact OE1-ND2 3.07Å; Q90-G93 PolarHBondContact O-N 2.99Å; Q90-R94 PolarHBondContact N-O 3.45Å; Q90-T96 HydrophobicContact CG-CG2 4.07Å | ||
| 91 | T | 83.8 | Confident | 90.5 | Very high | 155 Ų | 155 | 38.9 Ų | 38.9 | 95% | 0.951 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -18.8 | 173.4 | 50.9 | 0 | 0 | 0 | 0 | 114.2 | G93 | T91-G93 VanDerWaalsContact C-N 3.26Å; T91-G93 PolarHBondContact O-N 2.83Å |
| 92 | N | 83.7 | Confident | 90.3 | Very high | 78 Ų | 78 | 45.5 Ų | 45.5 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 10.1 | 173.6 | 64.6 | 40.1 | 0 | 0 | 0 | 114 | Q90 R94 | Q90-N92 PolarHBondContact O-N 2.72Å; Q90-N92 VanDerWaalsContact O-N 3.07Å; Q90-N92 PolarHBondContact OE1-ND2 3.07Å; N92-R94 VanDerWaalsContact C-N 3.25Å; N92-R94 PolarHBondContact ND2-NH2 3.41Å; N92-R94 PolarHBondContact O-N 3.5Å; N92-R94 VanDerWaalsContact OD1-CB 3.27Å; N92-R94 WeakPolarHBondContact OD1-CB 3.27Å; N92-R94 WeakPolarHBondContact OD1-CG 3.37Å; N92-R94 PolarHBondContact OD1-N 3.22Å; N92-R94 VanDerWaalsContact OD1-N 3.11Å; N92-R94 PolarHBondContact OD1-NE 2.85Å |
| 93 | G | 83.7 | Confident | 90.1 | Very high | 21 Ų | 21 | 43.6 Ų | 43.6 | 22% | 0.216 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 74.7 | 5.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q90 T91 T143 | Q90-G93 PolarHBondContact O-N 2.99Å; T91-G93 VanDerWaalsContact C-N 3.26Å; T91-G93 PolarHBondContact O-N 2.83Å; G93-T143 PolarHBondContact O-OG1 2.8Å; G93-T143 VanDerWaalsContact O-OG1 3.11Å |
| 94 | R | 89.4 | Confident | 90.1 | Very high | 96 Ų | 96 | 41.6 Ų | 41.6 | 36% | 0.362 | 21% | 0.213 | S | C | . | . | trans | -101.8 | 149.1 | 176.1 | -56.4 | 179.8 | -62.6 | 158.2 | 3.3 | 111.6 | Q90 N92 | Q90-R94 PolarHBondContact N-O 3.45Å; N92-R94 VanDerWaalsContact C-N 3.25Å; N92-R94 PolarHBondContact ND2-NH2 3.41Å; N92-R94 PolarHBondContact O-N 3.5Å; N92-R94 VanDerWaalsContact OD1-CB 3.27Å; N92-R94 WeakPolarHBondContact OD1-CB 3.27Å; N92-R94 WeakPolarHBondContact OD1-CG 3.37Å; N92-R94 PolarHBondContact OD1-N 3.22Å; N92-R94 VanDerWaalsContact OD1-N 3.11Å; N92-R94 PolarHBondContact OD1-NE 2.85Å | ||
| 95 | W | 93.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 144.4 | 174.1 | -70.2 | 86.7 | 0 | 0 | 0 | 112 | L41 A42 V53 L87 L89 I122 F139 S141 | L41-W95 HydrophobicContact CB-CH2 4.4Å; L41-W95 HydrophobicContact CB-CZ2 3.8Å; A42-W95 HydrophobicContact CB-CH2 4.34Å; A42-W95 HydrophobicContact CB-CZ2 3.67Å; V53-W95 HydrophobicContact CG1-CH2 3.75Å; V53-W95 HydrophobicContact CG1-CZ2 4.38Å; L87-W95 HydrophobicContact CB-CE3 3.98Å; L87-W95 HydrophobicContact CB-CZ3 4.05Å; L89-W95 HydrophobicContact CB-CD2 4.1Å; L89-W95 HydrophobicContact CB-CE3 4.05Å; L89-W95 HydrophobicContact CB-CH2 4.01Å; L89-W95 HydrophobicContact CB-CZ2 4.05Å; L89-W95 HydrophobicContact CB-CZ3 4Å; L89-W95 HydrophobicContact CD1-CD2 4.33Å; L89-W95 HydrophobicContact CD1-CG 4.41Å; L89-W95 HydrophobicContact CD2-CZ2 4.44Å; W95-I122 HydrophobicContact CB-CD1 3.91Å; W95-I122 HydrophobicContact CB-CG1 3.7Å; W95-I122 PolarHBondContact O-N 3.25Å; W95-F139 HydrophobicContact CB-CE1 4.33Å; W95-F139 HydrophobicContact CB-CZ 4Å; W95-F139 AromaticContact CD1-CZ 3.61Å; W95-F139 HydrophobicContact CD2-CE2 4.17Å; W95-F139 AromaticContact CD2-CZ 3.72Å; W95-F139 HydrophobicContact CD2-CZ 3.72Å; W95-F139 AromaticContact CE2-CZ 3.93Å; W95-F139 HydrophobicContact CE3-CE2 4.47Å; W95-F139 HydrophobicContact CE3-CZ 4.42Å; W95-F139 HydrophobicContact CG-CE1 4.2Å; W95-F139 HydrophobicContact CG-CE2 4.37Å; W95-F139 AromaticContact CG-CZ 3.5Å; W95-F139 HydrophobicContact CG-CZ 3.5Å; W95-F139 VanDerWaalsContact CG-CZ 3.5Å; W95-F139 AromaticContact NE1-CZ 3.84Å; W95-S141 VanDerWaalsContact CD1-OG 3.3Å; W95-S141 PolarHBondContact NE1-OG 3.39Å |
| 96 | T | 92.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.5 | 171.2 | 42.1 | 0 | 0 | 0 | 0 | 110.9 | L87 Q88 Q90 P119 C120 C121 | L87-T96 CarbonylContact C-O 3.56Å; L87-T96 WeakPolarHBondContact CA-O 3.32Å; Q88-T96 PolarHBondContact N-O 3.2Å; Q88-T96 PolarHBondContact O-N 2.93Å; Q88-T96 PolarHBondContact O-OG1 3Å; Q90-T96 HydrophobicContact CG-CG2 4.07Å; T96-P119 HydrophobicContact CG2-CB 4.38Å; T96-C120 CarbonylContact C-O 3.58Å; T96-C120 WeakPolarHBondContact CA-O 3.33Å; T96-C121 HydrophobicContact CG2-CB 4.46Å |
| 97 | L | 93.5 | Very high | 90 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130 | 177.2 | -177.1 | 156.5 | 0 | 0 | 0 | 109.7 | L85 E86 L87 C99 I105 V107 P119 C120 I122 L128 | L85-L97 HydrophobicContact CB-CD2 4.39Å; L85-L97 HydrophobicContact CB-CG 4.37Å; L85-L97 HydrophobicContact CD1-CD1 4.29Å; L85-L97 HydrophobicContact CD1-CG 4.49Å; L85-L97 HydrophobicContact CD2-CD1 4.29Å; E86-L97 CarbonylContact O-C 3.2Å; E86-L97 WeakPolarHBondContact O-CA 3.36Å; L87-L97 HydrophobicContact CD2-CB 3.99Å; L87-L97 HydrophobicContact CD2-CD1 3.93Å; L87-L97 HydrophobicContact CD2-CG 4.02Å; L97-C99 HydrophobicContact CD2-CB 4.17Å; L97-I105 HydrophobicContact CD1-CG2 4.24Å; L97-I105 HydrophobicContact CD2-CG2 3.75Å; L97-V107 HydrophobicContact CD1-CG2 4.11Å; L97-P119 CarbonylContact O-C 3.56Å; L97-P119 WeakPolarHBondContact O-CA 3.38Å; L97-C120 PolarHBondContact N-O 3.33Å; L97-C120 PolarHBondContact O-N 3.41Å; L97-C120 PolarHBondContact O-SG 3.2Å; L97-I122 HydrophobicContact CB-CG2 3.67Å; L97-I122 HydrophobicContact CD1-CG2 4.36Å; L97-L128 HydrophobicContact CD1-CD1 4.29Å; L97-L128 HydrophobicContact CD1-CD2 3.73Å |
| 98 | L | 92.4 | Very high | 89.8 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.5 | 168.7 | 177.5 | 64 | 0 | 0 | 0 | 109.2 | L85 E86 N100 P119 | L85-L98 CarbonylContact C-O 3.53Å; L85-L98 WeakPolarHBondContact CA-O 3.29Å; E86-L98 HydrophobicContact CB-CB 4.38Å; E86-L98 PolarHBondContact N-O 3.41Å; E86-L98 PolarHBondContact O-N 3.18Å; L98-N100 PolarHBondContact O-N 2.9Å; L98-P119 HydrophobicContact CD1-CG 4.47Å |
| 99 | C | 92.4 | Very high | 89.4 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 6% | 0.061 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 98.5 | -178.6 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | L97 I105 R114 | L97-C99 HydrophobicContact CD2-CB 4.17Å; C99-I105 HydrophobicContact CB-CG2 4.3Å; C99-R114 VanDerWaalsContact O-CA 3.32Å; C99-R114 WeakPolarHBondContact O-CA 3.39Å |
| 100 | N | 89.9 | Confident | 89.1 | Confident | 50 Ų | 50 | 51.7 Ų | 51.7 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | trans | -83.1 | -15.7 | 177.4 | -72.7 | -39.8 | 0 | 0 | 0 | 113.1 | A83 H84 L98 R114 | A83-N100 WeakPolarHBondContact O-CB 3.4Å; H84-N100 CarbonylContact O-C 3.57Å; H84-N100 PolarHBondContact O-N 2.98Å; L98-N100 PolarHBondContact O-N 2.9Å; N100-R114 VanDerWaalsContact O-CZ 3.24Å; N100-R114 PolarHBondContact O-NE 2.89Å; N100-R114 PolarHBondContact O-NH2 2.96Å | ||
| 101 | G | 88 | Confident | 89.1 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -76.5 | 138.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | H84 N103 G104 | H84-G101 PolarHBondContact O-N 3.45Å; G101-N103 VanDerWaalsContact C-N 3.28Å; G101-N103 PolarHBondContact O-N 3.25Å; G101-G104 PolarHBondContact O-N 3Å | ||
| 102 | K | 86.7 | Confident | 89.3 | Confident | 166 Ų | 166 | 46.5 Ų | 46.5 | 72% | 0.722 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -36.5 | 177.9 | -174.8 | -167.6 | 171.2 | -163.8 | 0 | 112.2 | G104 | K102-G104 PolarHBondContact O-N 3.22Š|
| 103 | N | 86.2 | Confident | 89.4 | Confident | 61 Ų | 61 | 50.1 Ų | 50.1 | 33% | 0.326 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -10.3 | -172.6 | -57.7 | 7 | 0 | 0 | 0 | 112.6 | G101 S132 | G101-N103 VanDerWaalsContact C-N 3.28Å; G101-N103 PolarHBondContact O-N 3.25Å; N103-S132 PolarHBondContact ND2-OG 3.11Å |
| 104 | G | 89.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | 78.3 | 175.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H84 G101 K102 H112 P131 | H84-G104 PolarHBondContact NE2-O 3.28Å; H84-G104 VanDerWaalsContact NE2-O 3.09Å; G101-G104 PolarHBondContact O-N 3Å; K102-G104 PolarHBondContact O-N 3.22Å; G104-H112 CarbonylContact C-O 3.54Å; G104-H112 WeakPolarHBondContact CA-O 3.41Å; G104-P131 WeakPolarHBondContact O-CD 3.16Å; G104-P131 VanDerWaalsContact O-CG 3.29Å; G104-P131 WeakPolarHBondContact O-CG 3.43Å | ||
| 105 | I | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 142.3 | 172.5 | -169.6 | 73.4 | 0 | 0 | 0 | 109 | L85 L97 C99 V107 H112 R129 F130 | L85-I105 HydrophobicContact CD2-CD1 3.77Å; L85-I105 HydrophobicContact CD2-CG1 3.79Å; L97-I105 HydrophobicContact CD1-CG2 4.24Å; L97-I105 HydrophobicContact CD2-CG2 3.75Å; C99-I105 HydrophobicContact CB-CG2 4.3Å; I105-V107 HydrophobicContact CG2-CG2 4.43Å; I105-H112 HydrophobicContact CG2-CB 4.13Å; I105-H112 PolarHBondContact N-O 2.98Å; I105-H112 PolarHBondContact O-N 3.39Å; I105-R129 WeakPolarHBondContact CD1-O 3.49Å; I105-F130 HydrophobicContact CD1-CB 4.47Å; I105-F130 HydrophobicContact CD1-CD1 3.59Å; I105-F130 HydrophobicContact CD1-CD2 4.26Å; I105-F130 HydrophobicContact CD1-CE1 3.69Å; I105-F130 HydrophobicContact CD1-CE2 4.32Å; I105-F130 HydrophobicContact CD1-CG 3.88Å; I105-F130 HydrophobicContact CD1-CZ 4.03Å |
| 106 | F | 92.3 | Very high | 86.6 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 25% | 0.25 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 131.9 | 166.4 | -71.2 | -77.8 | 0 | 0 | 0 | 110.1 | S109 T110 I111 L128 R129 P131 | F106-S109 WeakPolarHBondContact CD1-O 3.46Å; F106-T110 CarbonylContact C-O 3.48Å; F106-T110 VanDerWaalsContact CA-O 3.31Å; F106-T110 WeakPolarHBondContact CA-O 3.34Å; F106-I111 HydrophobicContact CD1-CB 3.84Å; F106-I111 HydrophobicContact CD1-CG1 4.44Å; F106-I111 HydrophobicContact CE1-CB 3.71Å; F106-I111 HydrophobicContact CE1-CD1 4.37Å; F106-I111 HydrophobicContact CE1-CG1 4.3Å; F106-I111 HydrophobicContact CZ-CB 4.42Å; F106-I111 HydrophobicContact CZ-CD1 4.23Å; F106-L128 CarbonylContact O-C 3.5Å; F106-L128 WeakPolarHBondContact O-CA 3.41Å; F106-R129 HydrophobicContact CB-CB 4.24Å; F106-R129 WeakPolarHBondContact CB-O 3.47Å; F106-R129 PolarHBondContact N-O 3.2Å; F106-R129 PolarHBondContact O-N 3.47Å; F106-P131 HydrophobicContact CD2-CB 4.06Å; F106-P131 HydrophobicContact CD2-CG 3.73Å; F106-P131 HydrophobicContact CE2-CB 3.65Å; F106-P131 HydrophobicContact CE2-CG 3.76Å |
| 107 | V | 93.1 | Very high | 85.1 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.5 | 167.8 | -175.4 | 0 | 0 | 0 | 0 | 106.4 | L97 I105 S109 T110 I122 C126 L128 | L97-V107 HydrophobicContact CD1-CG2 4.11Å; I105-V107 HydrophobicContact CG2-CG2 4.43Å; V107-S109 PolarHBondContact O-N 2.91Å; V107-S109 VanDerWaalsContact O-N 3.09Å; V107-T110 PolarHBondContact N-O 3.45Å; V107-T110 WeakPolarHBondContact O-CA 3.27Å; V107-T110 WeakPolarHBondContact O-CB 3.43Å; V107-T110 PolarHBondContact O-N 3.18Å; V107-I122 HydrophobicContact CG1-CG2 4.18Å; V107-I122 HydrophobicContact CG2-CG2 4.5Å; V107-C126 HydrophobicContact CG1-CB 4.12Å; V107-L128 HydrophobicContact CB-CD2 4.39Å; V107-L128 HydrophobicContact CG1-CD2 4.2Å; V107-L128 HydrophobicContact CG2-CD2 3.78Å |
| 108 | D | 88.6 | Confident | 84.3 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.4 | 39.4 | -179.3 | -53.6 | -42.9 | 0 | 0 | 0 | 114 | C126 T127 | D108-C126 WeakPolarHBondContact OD1-CA 3.2Å; D108-C126 WeakPolarHBondContact OD2-CB 3.4Å; D108-T127 PolarHBondContact N-O 3.31Å; D108-T127 PolarHBondContact OD1-N 3.24Å |
| 109 | S | 84.2 | Confident | 83.9 | Confident | 110 Ų | 110 | 70.6 Ų | 70.6 | 77% | 0.769 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -7.1 | -173.6 | -39.3 | 0 | 0 | 0 | 0 | 117 | F106 V107 | F106-S109 WeakPolarHBondContact CD1-O 3.46Å; V107-S109 PolarHBondContact O-N 2.91Å; V107-S109 VanDerWaalsContact O-N 3.09Å |
| 110 | T | 86.9 | Confident | 83.6 | Confident | 84 Ų | 84 | 71.4 Ų | 71.4 | 52% | 0.515 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 126.3 | 172.8 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | F106 V107 H112 | F106-T110 CarbonylContact C-O 3.48Å; F106-T110 VanDerWaalsContact CA-O 3.31Å; F106-T110 WeakPolarHBondContact CA-O 3.34Å; V107-T110 PolarHBondContact N-O 3.45Å; V107-T110 WeakPolarHBondContact O-CA 3.27Å; V107-T110 WeakPolarHBondContact O-CB 3.43Å; V107-T110 PolarHBondContact O-N 3.18Å; T110-H112 PolarHBondContact O-CD2 3.24Å |
| 111 | I | 88.4 | Confident | 83.6 | Confident | 67 Ų | 67 | 72.2 Ų | 72.2 | 34% | 0.344 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 117.4 | 179.7 | -168.8 | 171.4 | 0 | 0 | 0 | 112.5 | F106 R113 P131 | F106-I111 HydrophobicContact CD1-CB 3.84Å; F106-I111 HydrophobicContact CD1-CG1 4.44Å; F106-I111 HydrophobicContact CE1-CB 3.71Å; F106-I111 HydrophobicContact CE1-CD1 4.37Å; F106-I111 HydrophobicContact CE1-CG1 4.3Å; F106-I111 HydrophobicContact CZ-CB 4.42Å; F106-I111 HydrophobicContact CZ-CD1 4.23Å; I111-R113 HydrophobicContact CG1-CG 4.34Å; I111-P131 HydrophobicContact CD1-CG 4.47Å |
| 112 | H | 86.7 | Confident | 83.7 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 22% | 0.218 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 126.6 | 171.1 | -64.8 | -91.5 | 0 | 0 | 0 | 109.5 | G104 I105 T110 C120 | G104-H112 CarbonylContact C-O 3.54Å; G104-H112 WeakPolarHBondContact CA-O 3.41Å; I105-H112 HydrophobicContact CG2-CB 4.13Å; I105-H112 PolarHBondContact N-O 2.98Å; I105-H112 PolarHBondContact O-N 3.39Å; T110-H112 PolarHBondContact O-CD2 3.24Å; H112-C120 PolarHBondContact ND1-SG 2.92Å; H112-C120 VanDerWaalsContact ND1-SG 3.37Å |
| 113 | R | 85.7 | Confident | 83.9 | Confident | 155 Ų | 155 | 67.8 Ų | 67.8 | 59% | 0.585 | 38% | 0.38 | S | S | * | . | trans | -111.4 | 154.5 | -179 | -65.4 | -179.3 | -179.4 | 158.2 | 1.5 | 111 | I111 D115 A116 | I111-R113 HydrophobicContact CG1-CG 4.34Å; R113-D115 PolarHBondContact O-N 2.96Å; R113-D115 VanDerWaalsContact O-N 3.08Å; R113-A116 WeakPolarHBondContact O-CB 3.43Å; R113-A116 PolarHBondContact O-N 3.48Å; R113-A116 VanDerWaalsContact O-N 3.11Å | ||
| 114 | R | 79.9 | Confident | 84.1 | Confident | 131 Ų | 131 | 67.6 Ų | 67.6 | 49% | 0.494 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -32.5 | -179.5 | -177.2 | -169.7 | -76.4 | -179.4 | -8.6 | 114.6 | C99 N100 A116 | C99-R114 VanDerWaalsContact O-CA 3.32Å; C99-R114 WeakPolarHBondContact O-CA 3.39Å; N100-R114 VanDerWaalsContact O-CZ 3.24Å; N100-R114 PolarHBondContact O-NE 2.89Å; N100-R114 PolarHBondContact O-NH2 2.96Å; R114-A116 PolarHBondContact O-N 3.4Å; R114-A116 VanDerWaalsContact O-N 3.11Å |
| 115 | D | 66.7 | Low | 84.3 | Confident | 147 Ų | 147 | 71.9 Ų | 71.9 | 79% | 0.786 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -9.1 | -175.4 | -47.3 | -51.7 | 0 | 0 | 0 | 113 | R113 S117 | R113-D115 PolarHBondContact O-N 2.96Å; R113-D115 VanDerWaalsContact O-N 3.08Å; D115-S117 PolarHBondContact O-N 2.85Å; D115-S117 VanDerWaalsContact O-N 3.16Å |
| 116 | A | 61 | Low | 84.3 | Confident | 53 Ų | 53 | 72 Ų | 72 | 44% | 0.438 | 40% | 0.399 | S | S | . | . | trans | -74.1 | 93.5 | 162 | 0 | 0 | 0 | 0 | 0 | 110.4 | R113 R114 V118 | R113-A116 WeakPolarHBondContact O-CB 3.43Å; R113-A116 PolarHBondContact O-N 3.48Å; R113-A116 VanDerWaalsContact O-N 3.11Å; R114-A116 PolarHBondContact O-N 3.4Å; R114-A116 VanDerWaalsContact O-N 3.11Å; A116-V118 PolarHBondContact O-N 2.83Å; A116-V118 VanDerWaalsContact O-N 3.11Å | ||
| 117 | S | 62.5 | Low | 84.4 | Confident | 110 Ų | 110 | 71.8 Ų | 71.8 | 77% | 0.769 | 40% | 0.403 | S | S | * | . | trans | -65.7 | -4.2 | 172.2 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | D115 | D115-S117 PolarHBondContact O-N 2.85Å; D115-S117 VanDerWaalsContact O-N 3.16Å | ||
| 118 | V | 77 | Confident | 84.5 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 65% | 0.648 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -107.3 | 121.5 | 179.3 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | A116 C120 | A116-V118 PolarHBondContact O-N 2.83Å; A116-V118 VanDerWaalsContact O-N 3.11Å; V118-C120 PolarHBondContact O-N 2.84Å |
| 119 | P | 83.3 | Confident | 84.7 | Confident | 47 Ų | 47 | 72.6 Ų | 72.6 | 31% | 0.305 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 130.3 | 173.1 | -23.7 | 33.6 | 0 | 0 | 0 | 111.4 | T96 L97 L98 | T96-P119 HydrophobicContact CG2-CB 4.38Å; L97-P119 CarbonylContact O-C 3.56Å; L97-P119 WeakPolarHBondContact O-CA 3.38Å; L98-P119 HydrophobicContact CD1-CG 4.47Å |
| 120 | C | 86.3 | Confident | 85 | Confident | 25 Ų | 25 | 67.5 Ų | 67.5 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 138.5 | 176.3 | 55.6 | 0 | 0 | 0 | 0 | 110.4 | T96 L97 H112 V118 I122 | T96-C120 CarbonylContact C-O 3.58Å; T96-C120 WeakPolarHBondContact CA-O 3.33Å; L97-C120 PolarHBondContact N-O 3.33Å; L97-C120 PolarHBondContact O-N 3.41Å; L97-C120 PolarHBondContact O-SG 3.2Å; H112-C120 PolarHBondContact ND1-SG 2.92Å; H112-C120 VanDerWaalsContact ND1-SG 3.37Å; V118-C120 PolarHBondContact O-N 2.84Å; C120-I122 PolarHBondContact O-N 3.37Å |
| 121 | C | 89.4 | Confident | 85.1 | Confident | 68 Ų | 68 | 65.2 Ų | 65.2 | 46% | 0.459 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 128.7 | 167.1 | -64.5 | 0 | 0 | 0 | 0 | 108.6 | T96 | T96-C121 HydrophobicContact CG2-CB 4.46Å |
| 122 | I | 91.2 | Very high | 84.9 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 6% | 0.062 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -100.1 | 156 | 174.4 | 59.8 | 173 | 0 | 0 | 0 | 110.4 | L87 W95 L97 V107 C120 F139 | L87-I122 HydrophobicContact CD2-CD1 3.96Å; W95-I122 HydrophobicContact CB-CD1 3.91Å; W95-I122 HydrophobicContact CB-CG1 3.7Å; W95-I122 PolarHBondContact O-N 3.25Å; L97-I122 HydrophobicContact CB-CG2 3.67Å; L97-I122 HydrophobicContact CD1-CG2 4.36Å; V107-I122 HydrophobicContact CG1-CG2 4.18Å; V107-I122 HydrophobicContact CG2-CG2 4.5Å; C120-I122 PolarHBondContact O-N 3.37Å; I122-F139 HydrophobicContact CD1-CD1 3.77Å; I122-F139 HydrophobicContact CD1-CE1 3.74Å; I122-F139 HydrophobicContact CD1-CG 4.21Å; I122-F139 HydrophobicContact CD1-CZ 4.15Å; I122-F139 HydrophobicContact CG1-CE1 4.44Å |
| 123 | P | 90.7 | Very high | 84.9 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 164.2 | 172.1 | -23 | 34.4 | 0 | 0 | 0 | 113 | E125 C126 | P123-E125 PolarHBondContact O-N 3.15Å; P123-C126 HydrophobicContact CB-CB 4.33Å; P123-C126 HydrophobicContact CG-CB 4.17Å |
| 124 | D | 90.2 | Very high | 84.9 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 31% | 0.305 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -69 | -13.4 | 174.1 | -67.7 | -56.8 | 0 | 0 | 0 | 112.3 | S141 R145 | D124-S141 WeakPolarHBondContact O-CB 3.44Å; D124-S141 PolarHBondContact O-N 3.33Å; D124-R145 IonicContact OD2-CZ 3.56Å; D124-R145 IonicContact OD2-NE 3.52Å; D124-R145 PolarHBondContact OD2-NE 3.14Å; D124-R145 IonicContact OD2-NH2 2.77Å; D124-R145 PolarHBondContact OD2-NH2 3.31Å |
| 125 | E | 93.1 | Very high | 85.3 | Confident | 90 Ų | 90 | 60.9 Ų | 60.9 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 123 | 168.3 | -174.8 | 157.9 | -147.7 | 0 | 0 | 109.5 | P123 H138 F139 R140 | P123-E125 PolarHBondContact O-N 3.15Å; E125-H138 VanDerWaalsContact CG-CE1 3.49Å; E125-H138 WeakPolarHBondContact CG-CE1 3.44Å; E125-H138 WeakPolarHBondContact CG-NE2 3.39Å; E125-H138 IonicContact OE1-CD2 3.02Å; E125-H138 IonicContact OE1-CE1 2.71Å; E125-H138 IonicContact OE1-NE2 3.52Å; E125-H138 PolarHBondContact OE1-NE2 2.79Å; E125-F139 CarbonylContact C-O 3.59Å; E125-F139 WeakPolarHBondContact CA-O 3.17Å; E125-R140 HydrophobicContact CG-CB 4.39Å; E125-R140 HydrophobicContact CG-CG 4.43Å; E125-R140 WeakPolarHBondContact OE1-CD 3.45Å; E125-R140 IonicContact OE1-NH1 2.87Å; E125-R140 PolarHBondContact OE1-NH1 2.96Å; E125-R140 IonicContact OE2-NH1 3.35Å; E125-R140 PolarHBondContact OE2-NH1 3.22Å |
| 126 | C | 94 | Very high | 86.4 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.007 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 148.7 | -174.6 | 64.3 | 0 | 0 | 0 | 0 | 114.2 | V107 D108 P123 F139 | V107-C126 HydrophobicContact CG1-CB 4.12Å; D108-C126 WeakPolarHBondContact OD1-CA 3.2Å; D108-C126 WeakPolarHBondContact OD2-CB 3.4Å; P123-C126 HydrophobicContact CB-CB 4.33Å; P123-C126 HydrophobicContact CG-CB 4.17Å; C126-F139 PolarHBondContact N-O 3.37Å; C126-F139 PolarHBondContact O-N 3.15Å |
| 127 | T | 94 | Very high | 88 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.1 | 173 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | D108 R136 | D108-T127 PolarHBondContact N-O 3.31Å; D108-T127 PolarHBondContact OD1-N 3.24Å; T127-R136 HydrophobicContact CG2-CB 4.39Å |
| 128 | L | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 124.2 | 171.4 | -50.6 | 179.1 | 0 | 0 | 0 | 109.7 | L85 L87 L97 F106 V107 R136 L137 F139 | L85-L128 HydrophobicContact CD1-CD1 4.44Å; L85-L128 HydrophobicContact CD2-CD1 4.15Å; L87-L128 HydrophobicContact CD2-CD1 4.46Å; L97-L128 HydrophobicContact CD1-CD1 4.29Å; L97-L128 HydrophobicContact CD1-CD2 3.73Å; F106-L128 CarbonylContact O-C 3.5Å; F106-L128 WeakPolarHBondContact O-CA 3.41Å; V107-L128 HydrophobicContact CB-CD2 4.39Å; V107-L128 HydrophobicContact CG1-CD2 4.2Å; V107-L128 HydrophobicContact CG2-CD2 3.78Å; L128-R136 CarbonylContact O-C 3.47Å; L128-R136 WeakPolarHBondContact O-CA 3.1Å; L128-L137 HydrophobicContact CB-CB 4.33Å; L128-L137 PolarHBondContact N-O 3.07Å; L128-L137 PolarHBondContact O-N 3.38Å; L128-F139 HydrophobicContact CD1-CB 4.3Å; L128-F139 HydrophobicContact CG-CB 4.42Å |
| 129 | R | 92.6 | Very high | 90.4 | Very high | 99 Ų | 99 | 51.5 Ų | 51.5 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 131.3 | 177.8 | 178.7 | -177.6 | 170.6 | -144.5 | -5.1 | 112.2 | I105 F106 R136 | I105-R129 WeakPolarHBondContact CD1-O 3.49Å; F106-R129 HydrophobicContact CB-CB 4.24Å; F106-R129 WeakPolarHBondContact CB-O 3.47Å; F106-R129 PolarHBondContact N-O 3.2Å; F106-R129 PolarHBondContact O-N 3.47Å; R129-R136 HydrophobicContact CB-CG 4.5Å; R129-R136 HydrophobicContact CG-CG 4.34Å |
| 130 | F | 91.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | trans | -77.7 | 123.2 | 177.7 | -59.6 | -89.6 | 0 | 0 | 0 | 110.1 | I60 I73 V80 H84 L85 I105 S132 T133 L135 L137 | I60-F130 HydrophobicContact CG2-CZ 4.43Å; I73-F130 HydrophobicContact CD1-CD2 4.4Å; I73-F130 HydrophobicContact CD1-CE1 4.03Å; I73-F130 HydrophobicContact CD1-CE2 3.44Å; I73-F130 VanDerWaalsContact CD1-CE2 3.44Å; I73-F130 HydrophobicContact CD1-CZ 3.22Å; V80-F130 HydrophobicContact CG1-CD1 4.2Å; V80-F130 HydrophobicContact CG1-CE1 4.05Å; V80-F130 HydrophobicContact CG2-CB 4.42Å; V80-F130 HydrophobicContact CG2-CD1 4.08Å; V80-F130 HydrophobicContact CG2-CG 4.13Å; H84-F130 HydrophobicContact CB-CE1 4.1Å; H84-F130 AromaticContact CD2-CD1 3.47Å; H84-F130 VanDerWaalsContact CD2-CD1 3.47Å; H84-F130 WeakPolarHBondContact CD2-CD1 3.07Å; H84-F130 AromaticContact CD2-CE1 3.41Å; H84-F130 VanDerWaalsContact CD2-CE1 3.41Å; H84-F130 WeakPolarHBondContact CD2-CE1 3.36Å; H84-F130 AromaticContact CG-CD1 3.97Å; H84-F130 AromaticContact CG-CE1 3.82Å; H84-F130 AromaticContact NE2-CD1 3.63Å; L85-F130 HydrophobicContact CD2-CE1 4.25Å; L85-F130 HydrophobicContact CD2-CZ 4.14Å; I105-F130 HydrophobicContact CD1-CB 4.47Å; I105-F130 HydrophobicContact CD1-CD1 3.59Å; I105-F130 HydrophobicContact CD1-CD2 4.26Å; I105-F130 HydrophobicContact CD1-CE1 3.69Å; I105-F130 HydrophobicContact CD1-CE2 4.32Å; I105-F130 HydrophobicContact CD1-CG 3.88Å; I105-F130 HydrophobicContact CD1-CZ 4.03Å; F130-S132 PolarHBondContact O-N 3Å; F130-T133 WeakPolarHBondContact CB-OG1 3.41Å; F130-T133 PolarHBondContact O-N 3.23Å; F130-T133 VanDerWaalsContact O-N 3.17Å; F130-T133 VanDerWaalsContact O-O 3.1Å; F130-L135 HydrophobicContact CD2-CB 4.24Å; F130-L137 HydrophobicContact CE2-CD1 3.96Å; F130-L137 HydrophobicContact CE2-CG 4.24Å; F130-L137 HydrophobicContact CZ-CD1 4.16Å | ||
| 131 | P | 89.4 | Confident | 91.1 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 24% | 0.24 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -24 | -169 | -29.5 | 36.5 | 0 | 0 | 0 | 116.2 | G104 F106 I111 | G104-P131 WeakPolarHBondContact O-CD 3.16Å; G104-P131 VanDerWaalsContact O-CG 3.29Å; G104-P131 WeakPolarHBondContact O-CG 3.43Å; F106-P131 HydrophobicContact CD2-CB 4.06Å; F106-P131 HydrophobicContact CD2-CG 3.73Å; F106-P131 HydrophobicContact CE2-CB 3.65Å; F106-P131 HydrophobicContact CE2-CG 3.76Å; I111-P131 HydrophobicContact CD1-CG 4.47Å |
| 132 | S | 84.4 | Confident | 91.1 | Very high | 56 Ų | 56 | 54 Ų | 54 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 5.6 | -175 | -49.7 | 0 | 0 | 0 | 0 | 113.6 | L79 N103 F130 | L79-S132 WeakPolarHBondContact CD1-O 3.46Å; N103-S132 PolarHBondContact ND2-OG 3.11Å; F130-S132 PolarHBondContact O-N 3Å |
| 133 | T | 86.5 | Confident | 90.5 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -136.9 | 169.4 | 179.9 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | L79 V80 F130 L135 | L79-T133 HydrophobicContact CB-CG2 4.09Å; L79-T133 HydrophobicContact CD1-CG2 4.17Å; V80-T133 HydrophobicContact CG2-CG2 4.29Å; F130-T133 WeakPolarHBondContact CB-OG1 3.41Å; F130-T133 PolarHBondContact O-N 3.23Å; F130-T133 VanDerWaalsContact O-N 3.17Å; F130-T133 VanDerWaalsContact O-O 3.1Å; T133-L135 HydrophobicContact CG2-CD1 4.43Å |
| 134 | E | 86.2 | Confident | 89.1 | Confident | 175 Ų | 175 | 59.5 Ų | 59.5 | 82% | 0.818 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -79.7 | -23.8 | 173.5 | -59.9 | -173.7 | 149.3 | 0 | 0 | 112.3 | R136 | E134-R136 WeakPolarHBondContact O-CG 3.28Å; E134-R136 PolarHBondContact O-N 2.63Å |
| 135 | L | 87.6 | Confident | 87.5 | Confident | 58 Ų | 58 | 66.1 Ų | 66.1 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | trans | -48.5 | 127.9 | -178.3 | -59.1 | 169.6 | 0 | 0 | 0 | 113.6 | I73 D75 V80 F130 T133 | I73-L135 HydrophobicContact CG2-CD1 3.58Å; D75-L135 HydrophobicContact CB-CD1 4.39Å; V80-L135 HydrophobicContact CG2-CD1 4.36Å; F130-L135 HydrophobicContact CD2-CB 4.24Å; T133-L135 HydrophobicContact CG2-CD1 4.43Å | ||
| 136 | R | 90.5 | Very high | 85.1 | Confident | 145 Ų | 145 | 64.4 Ų | 64.4 | 55% | 0.547 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 150.1 | 174 | -51.5 | -177.6 | -168.4 | -167.1 | 4.1 | 109.3 | T127 L128 R129 E134 | T127-R136 HydrophobicContact CG2-CB 4.39Å; L128-R136 CarbonylContact O-C 3.47Å; L128-R136 WeakPolarHBondContact O-CA 3.1Å; R129-R136 HydrophobicContact CB-CG 4.5Å; R129-R136 HydrophobicContact CG-CG 4.34Å; E134-R136 WeakPolarHBondContact O-CG 3.28Å; E134-R136 PolarHBondContact O-N 2.63Å |
| 137 | L | 93.5 | Very high | 82.7 | Confident | 8 Ų | 8 | 74 Ų | 74 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.9 | 168.5 | -57.7 | 173.8 | 0 | 0 | 0 | 108 | V44 D45 I60 I73 L128 F130 | V44-L137 HydrophobicContact CG1-CB 4.02Å; V44-L137 HydrophobicContact CG1-CD1 4.26Å; V44-L137 HydrophobicContact CG1-CD2 4.36Å; V44-L137 HydrophobicContact CG1-CG 4.45Å; D45-L137 CarbonylContact O-C 3.56Å; D45-L137 VanDerWaalsContact O-CA 3.27Å; D45-L137 WeakPolarHBondContact O-CA 3.47Å; I60-L137 HydrophobicContact CD1-CD1 4.17Å; I60-L137 HydrophobicContact CG2-CD1 3.83Å; I73-L137 HydrophobicContact CD1-CD1 4.25Å; L128-L137 HydrophobicContact CB-CB 4.33Å; L128-L137 PolarHBondContact N-O 3.07Å; L128-L137 PolarHBondContact O-N 3.38Å; F130-L137 HydrophobicContact CE2-CD1 3.96Å; F130-L137 HydrophobicContact CE2-CG 4.24Å; F130-L137 HydrophobicContact CZ-CD1 4.16Å |
| 138 | H | 94.3 | Very high | 80.2 | Confident | 65 Ų | 65 | 80.3 Ų | 80.3 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 110.2 | 171.7 | -168.7 | 60.4 | 0 | 0 | 0 | 108.6 | V44 D45 E125 | V44-H138 WeakPolarHBondContact CA-O 3.23Å; D45-H138 HydrophobicContact CB-CB 4.36Å; D45-H138 PolarHBondContact N-O 3.43Å; D45-H138 PolarHBondContact O-N 3.15Å; E125-H138 VanDerWaalsContact CG-CE1 3.49Å; E125-H138 WeakPolarHBondContact CG-CE1 3.44Å; E125-H138 WeakPolarHBondContact CG-NE2 3.39Å; E125-H138 IonicContact OE1-CD2 3.02Å; E125-H138 IonicContact OE1-CE1 2.71Å; E125-H138 IonicContact OE1-NE2 3.52Å; E125-H138 PolarHBondContact OE1-NE2 2.79Å |
| 139 | F | 94.8 | Very high | 77.5 | Confident | 1 Ų | 1 | 89.5 Ų | 89.5 | 0% | 0.004 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.8 | 177.1 | 170.2 | -87.2 | 0 | 0 | 0 | 109.6 | A42 V44 L87 W95 I122 E125 C126 L128 | A42-F139 HydrophobicContact CB-CD2 4.47Å; A42-F139 HydrophobicContact CB-CE2 3.56Å; A42-F139 HydrophobicContact CB-CZ 3.85Å; V44-F139 HydrophobicContact CG2-CD2 3.99Å; L87-F139 HydrophobicContact CD1-CD2 3.66Å; L87-F139 HydrophobicContact CD1-CE2 3.87Å; W95-F139 HydrophobicContact CB-CE1 4.33Å; W95-F139 HydrophobicContact CB-CZ 4Å; W95-F139 AromaticContact CD1-CZ 3.61Å; W95-F139 HydrophobicContact CD2-CE2 4.17Å; W95-F139 AromaticContact CD2-CZ 3.72Å; W95-F139 HydrophobicContact CD2-CZ 3.72Å; W95-F139 AromaticContact CE2-CZ 3.93Å; W95-F139 HydrophobicContact CE3-CE2 4.47Å; W95-F139 HydrophobicContact CE3-CZ 4.42Å; W95-F139 HydrophobicContact CG-CE1 4.2Å; W95-F139 HydrophobicContact CG-CE2 4.37Å; W95-F139 AromaticContact CG-CZ 3.5Å; W95-F139 HydrophobicContact CG-CZ 3.5Å; W95-F139 VanDerWaalsContact CG-CZ 3.5Å; W95-F139 AromaticContact NE1-CZ 3.84Å; I122-F139 HydrophobicContact CD1-CD1 3.77Å; I122-F139 HydrophobicContact CD1-CE1 3.74Å; I122-F139 HydrophobicContact CD1-CG 4.21Å; I122-F139 HydrophobicContact CD1-CZ 4.15Å; I122-F139 HydrophobicContact CG1-CE1 4.44Å; E125-F139 CarbonylContact C-O 3.59Å; E125-F139 WeakPolarHBondContact CA-O 3.17Å; C126-F139 PolarHBondContact N-O 3.37Å; C126-F139 PolarHBondContact O-N 3.15Å; L128-F139 HydrophobicContact CD1-CB 4.3Å; L128-F139 HydrophobicContact CG-CB 4.42Å |
| 140 | R | 93.4 | Very high | 74.6 | Confident | 114 Ų | 114 | 88.1 Ų | 88.1 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 121.2 | 173 | -179.7 | 174.6 | 175.8 | 142.7 | -8.9 | 110.8 | A42 R43 E125 | A42-R140 CarbonylContact C-O 3.48Å; A42-R140 VanDerWaalsContact CA-O 3.25Å; A42-R140 WeakPolarHBondContact CA-O 3.4Å; A42-R140 WeakPolarHBondContact CB-O 3.47Å; R43-R140 PolarHBondContact N-O 3.05Å; R43-R140 PolarHBondContact O-N 2.92Å; E125-R140 HydrophobicContact CG-CB 4.39Å; E125-R140 HydrophobicContact CG-CG 4.43Å; E125-R140 WeakPolarHBondContact OE1-CD 3.45Å; E125-R140 IonicContact OE1-NH1 2.87Å; E125-R140 PolarHBondContact OE1-NH1 2.96Å; E125-R140 IonicContact OE2-NH1 3.35Å; E125-R140 PolarHBondContact OE2-NH1 3.22Å |
| 141 | S | 92.3 | Very high | 71.8 | Confident | 14 Ų | 14 | 98.4 Ų | 98.4 | 10% | 0.098 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 141.9 | 170.9 | -169.9 | 0 | 0 | 0 | 0 | 110.9 | W95 D124 T143 | W95-S141 VanDerWaalsContact CD1-OG 3.3Å; W95-S141 PolarHBondContact NE1-OG 3.39Å; D124-S141 WeakPolarHBondContact O-CB 3.44Å; D124-S141 PolarHBondContact O-N 3.33Å; S141-T143 PolarHBondContact OG-N 3Å; S141-T143 PolarHBondContact OG-OG1 2.93Å |
| 142 | L | 88.1 | Confident | 69 | Low | 65 Ų | 65 | 104.2 Ų | 104.2 | 34% | 0.34 | 50% | 0.501 | S | S | . | . | trans | -115.7 | -0.3 | 172.9 | -59.5 | 173.9 | 0 | 0 | 0 | 111.7 | P40 L41 R43 H144 | P40-L142 HydrophobicContact CB-CD1 3.94Å; P40-L142 HydrophobicContact CG-CD1 4.5Å; L41-L142 PolarHBondContact O-N 3.07Å; R43-L142 HydrophobicContact CB-CD1 4.46Å; L142-H144 PolarHBondContact O-N 3.29Å | ||
| 143 | T | 80.1 | Confident | 66.6 | Low | 29 Ų | 29 | 108.9 Ų | 108.9 | 18% | 0.178 | 52% | 0.52 | C | S | . | . | trans | -74.2 | 94.5 | 176.9 | 52 | 0 | 0 | 0 | 0 | 110.8 | L41 L89 G93 S141 R145 | L41-T143 HydrophobicContact CB-CG2 4.23Å; L41-T143 HydrophobicContact CD2-CG2 4.12Å; L41-T143 PolarHBondContact O-N 3.23Å; L89-T143 HydrophobicContact CD1-CG2 4.08Å; L89-T143 HydrophobicContact CD2-CG2 3.84Å; G93-T143 PolarHBondContact O-OG1 2.8Å; G93-T143 VanDerWaalsContact O-OG1 3.11Å; S141-T143 PolarHBondContact OG-N 3Å; S141-T143 PolarHBondContact OG-OG1 2.93Å; T143-R145 PolarHBondContact O-N 2.76Å | ||
| 144 | H | 61.4 | Low | 63.9 | Low | 160 Ų | 160 | 111.5 Ų | 111.5 | 74% | 0.741 | 54% | 0.544 | S | S | * | . | trans | -53.6 | 126.4 | 173 | -91.1 | -97.7 | 0 | 0 | 0 | 111.3 | L142 G146 Y147 | L142-H144 PolarHBondContact O-N 3.29Å; H144-G146 PolarHBondContact O-N 3.22Å; H144-Y147 PolarHBondContact O-N 2.92Å | ||
| 145 | R | 55.1 | Low | 61.3 | Low | 195 Ų | 195 | 109 Ų | 109 | 74% | 0.736 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 17.4 | -172.3 | -110.6 | -170.6 | -153 | -156.9 | 12.3 | 116.8 | D124 T143 | D124-R145 IonicContact OD2-CZ 3.56Å; D124-R145 IonicContact OD2-NE 3.52Å; D124-R145 PolarHBondContact OD2-NE 3.14Å; D124-R145 IonicContact OD2-NH2 2.77Å; D124-R145 PolarHBondContact OD2-NH2 3.31Å; T143-R145 PolarHBondContact O-N 2.76Å |
| 146 | G | 43.1 | Very low | 58.6 | Low | 55 Ų | 55 | 113 Ų | 113 | 57% | 0.567 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.2 | 27 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H144 | H144-G146 PolarHBondContact O-N 3.22Š|
| 147 | Y | 44.8 | Very low | 55.9 | Low | 202 Ų | 202 | 110 Ų | 110 | 79% | 0.792 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -108.4 | 7.9 | -178.5 | -123.9 | -84.3 | 0 | 0 | 0 | 114.9 | H144 | H144-Y147 PolarHBondContact O-N 2.92Š|
| 148 | F | 40.1 | Very low | 53 | Low | 186 Ų | 186 | 114.2 Ų | 114.2 | 82% | 0.816 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -123.7 | -8.3 | 179.7 | -86.6 | -81.3 | 0 | 0 | 0 | 115 | G150 | F148-G150 PolarHBondContact O-N 3.02Š|
| 149 | E | 37 | Very low | 50.1 | Low | 192 Ų | 192 | 120.1 Ų | 120.1 | 90% | 0.897 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 90.7 | 166.6 | -66.2 | -175 | 151 | 0 | 0 | 108.7 | ||
| 150 | G | 32 | Very low | 47.3 | Very low | 70 Ų | 70 | 124.9 Ų | 124.9 | 72% | 0.722 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 145 | 11.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | F148 | F148-G150 PolarHBondContact O-N 3.02Š|
| 151 | R | 33.1 | Very low | 44.4 | Very low | 220 Ų | 220 | 122.9 Ų | 122.9 | 83% | 0.83 | 68% | 0.678 | S | S | * | * | trans | -129.4 | 90.1 | 168.2 | -80.3 | -171.3 | 176.3 | 168.4 | 0.6 | 111.8 | I153 | R151-I153 PolarHBondContact O-N 3.44Š| ||
| 152 | D | 30.8 | Very low | 41.7 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | trans | -65.8 | 99.5 | 164.5 | -66.8 | -60.3 | 0 | 0 | 0 | 109.7 | A154 | D152-A154 PolarHBondContact O-N 3.5Š| ||
| 153 | I | 33.7 | Very low | 39.1 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | -80.5 | 72.2 | 171.2 | -53.4 | -178.4 | 0 | 0 | 0 | 108.4 | R151 | R151-I153 PolarHBondContact O-N 3.44Š| ||
| 154 | A | 30.5 | Very low | 36.9 | Very low | 75 Ų | 75 | 139.2 Ų | 139.2 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | trans | -106.5 | 143 | 161.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | D152 | D152-A154 PolarHBondContact O-N 3.5Š| ||
| 155 | T | 30.9 | Very low | 35.4 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 65.5 | 73.9 | 171 | -41.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 156 | T | 30.9 | Very low | 34.3 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -108.1 | 77.5 | 147.7 | 27.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 157 | S | 33.6 | Very low | 33.7 | Very low | 81 Ų | 81 | 138.4 Ų | 138.4 | 57% | 0.566 | 78% | 0.779 | S | S | * | * | trans | -142.4 | 118.4 | 178.1 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 158 | S | 33.5 | Very low | 33.1 | Very low | 97 Ų | 97 | 133.5 Ų | 133.5 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | 67.7 | 148.7 | 165.1 | 66.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 159 | F | 33.9 | Very low | 32.7 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | trans | 64.3 | 121.4 | 176.3 | -52.7 | -76.2 | 0 | 0 | 0 | 115.2 | ||||
| 160 | A | 34.7 | Very low | 32.6 | Very low | 100 Ų | 100 | 130.3 Ų | 130.3 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | cis | 67.2 | 99.6 | 22.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 161 | G | 33.5 | Very low | 32.6 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 157.6 | 137.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 162 | E | 35.4 | Very low | 32.7 | Very low | 180 Ų | 180 | 129.4 Ų | 129.4 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -79.2 | 173.4 | -175.1 | -65.9 | 117.2 | 123.5 | 0 | 0 | 115.2 | ||||
| 163 | D | 33.2 | Very low | 32.8 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | 63.4 | 110.2 | 150.9 | -70.3 | -9.6 | 0 | 0 | 0 | 122.8 | ||||
| 164 | S | 34.7 | Very low | 32.9 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | trans | 81.5 | 149.5 | 130.5 | 81.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 165 | G | 28.2 | Very low | 33.2 | Very low | 62 Ų | 62 | 129 Ų | 129 | 64% | 0.639 | 76% | 0.76 | S | S | * | * | trans | 109.4 | 97 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 166 | Y | 33.7 | Very low | 33.4 | Very low | 222 Ų | 222 | 127.4 Ų | 127.4 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | trans | 66.3 | 132 | 138.9 | -75.6 | -83.8 | 0 | 0 | 0 | 124 | ||||
| 167 | S | 30.6 | Very low | 33.6 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | 66.2 | 146 | 146.1 | -58.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 168 | S | 32.1 | Very low | 33.7 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | cis | -150.8 | 130.3 | 23.8 | -161.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 169 | L | 31.8 | Very low | 33.9 | Very low | 143 Ų | 143 | 132.6 Ų | 132.6 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | 46.2 | 134.6 | 103.9 | -51.1 | 178.1 | 0 | 0 | 0 | 115.2 | |||||
| 170 | L | 33.9 | Very low | 34.1 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | -145.7 | 171.9 | 55.2 | -82.6 | 164.2 | 0 | 0 | 0 | 116.1 | |||||
| 171 | L | 31.7 | Very low | 34.2 | Very low | 137 Ų | 137 | 133 Ų | 133 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | -96.6 | 165 | -172.9 | -138.5 | 81.6 | 0 | 0 | 0 | 113 | ||||
| 172 | V | 35.8 | Very low | 34.6 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | -155.9 | 125.3 | 118.1 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 173 | N | 32.4 | Very low | 34.7 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | trans | 13.8 | 158.7 | 148.3 | -66.9 | 10.7 | 0 | 0 | 0 | 122.9 | ||||
| 174 | E | 35.4 | Very low | 35.2 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | cis | -152.7 | 163 | 28.1 | -147.5 | -166 | 101.6 | 0 | 0 | 115.5 | ||||
| 175 | S | 36.6 | Very low | 35.2 | Very low | 93 Ų | 93 | 130.6 Ų | 130.6 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | trans | 34.3 | 135.3 | 150.3 | 54.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 176 | A | 35.1 | Very low | 35.7 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | cis | -165.2 | 159.1 | -8.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 177 | S | 35.8 | Very low | 36.1 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | trans | 69.1 | 108.2 | 149.5 | -67.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 178 | R | 35.7 | Very low | 36.7 | Very low | 232 Ų | 232 | 131.3 Ų | 131.3 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | trans | 68.6 | 140.2 | 132.4 | -57.5 | 167.5 | -168.9 | -110.4 | 0.7 | 118.7 | ||||
| 179 | S | 38 | Very low | 37.1 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 77% | 0.772 | S | S | * | * | cis | -170 | 147.2 | -8.6 | 47.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 180 | S | 38 | Very low | 37.3 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | 76.5 | 130.8 | 152.8 | -56.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 181 | M | 37.6 | Very low | 37.5 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -87 | -174.3 | 166.2 | -78.4 | -83.8 | 161 | 0 | 0 | 110.8 | ||||
| 182 | P | 41.4 | Very low | 37.8 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | cis | -134.7 | -176.6 | 2.8 | 32.7 | -9.6 | 0 | 0 | 0 | 116.4 | ||||
| 183 | S | 36.5 | Very low | 37.9 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -71.9 | 172.2 | 170.7 | -35.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 184 | P | 43.4 | Very low | 38 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -135.3 | 159.7 | 131.3 | 38.7 | -29.3 | 0 | 0 | 0 | 115.8 | ||||
| 185 | T | 34.8 | Very low | 38 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | -79.5 | 151.1 | -179.4 | -45.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 186 | H | 39.4 | Very low | 38 | Very low | 190 Ų | 190 | 148 Ų | 148 | 88% | 0.88 | 80% | 0.795 | S | S | * | * | trans | -154.8 | 145.1 | 142.4 | -114.1 | -75.5 | 0 | 0 | 0 | 113.7 | ||||
| 187 | T | 42.7 | Very low | 38 | Very low | 111 Ų | 111 | 151 Ų | 151 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | trans | -138.9 | -170.2 | 179.1 | 61.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 188 | P | 42.9 | Very low | 38.1 | Very low | 107 Ų | 107 | 156.2 Ų | 156.2 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | cis | -122.9 | -171.8 | -46.7 | 31.6 | -14.7 | 0 | 0 | 0 | 110.8 | ||||
| 189 | R | 39.9 | Very low | 38 | Very low | 247 Ų | 247 | 153.3 Ų | 153.3 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | -158.7 | 151.4 | 137.6 | -115.3 | 166.5 | -172.7 | 123.1 | 1.5 | 113.3 | ||||
| 190 | V | 36.6 | Very low | 37.9 | Very low | 118 Ų | 118 | 154.3 Ų | 154.3 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | trans | -122.1 | 141.7 | -178.7 | 173 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 191 | L | 38.7 | Very low | 37.8 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -135 | 139.1 | 152.6 | -77.5 | -179.8 | 0 | 0 | 0 | 109.3 | ||||
| 192 | S | 36.5 | Very low | 37.6 | Very low | 96 Ų | 96 | 149.9 Ų | 149.9 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | -136.1 | 141.4 | 178.6 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 193 | F | 37.7 | Very low | 37.3 | Very low | 211 Ų | 211 | 149.4 Ų | 149.4 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -136.3 | 150.6 | 164.8 | -88.2 | -79.2 | 0 | 0 | 0 | 109.4 | ||||
| 194 | R | 35 | Very low | 37.2 | Very low | 242 Ų | 242 | 149.4 Ų | 149.4 | 91% | 0.913 | 80% | 0.795 | S | S | * | * | trans | -140.1 | 147.9 | -162.8 | -126.2 | -177.9 | -178.3 | 178.3 | 0.2 | 110.8 | ||||
| 195 | A | 36 | Very low | 36.8 | Very low | 86 Ų | 86 | 149.5 Ų | 149.5 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | 63.1 | 129.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 196 | R | 37.3 | Very low | 36.8 | Very low | 243 Ų | 243 | 148.7 Ų | 148.7 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | -165.3 | 146.4 | 93.3 | -99.4 | 175.1 | -175 | 136 | 1.3 | 112.2 | |||||
| 197 | D | 33.5 | Very low | 36.5 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | -75.4 | 153.5 | 171.9 | -46.1 | -98.9 | 0 | 0 | 0 | 112.2 | ||||
| 198 | K | 38.6 | Very low | 36 | Very low | 205 Ų | 205 | 149.8 Ų | 149.8 | 89% | 0.891 | 79% | 0.791 | S | S | * | * | trans | -160.5 | 170.1 | 134.5 | -113.6 | 171.9 | -176.2 | -174.6 | 0 | 112.3 | ||||
| 199 | Q | 33.3 | Very low | 35.6 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -102.2 | -167.1 | -158.3 | -60.9 | 161.6 | -53.3 | 0 | 0 | 113.2 | ||||
| 200 | T | 35.2 | Very low | 35.4 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | 89.7 | 100.1 | 154.4 | 73.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 201 | S | 35.8 | Very low | 35.4 | Very low | 99 Ų | 99 | 144.7 Ų | 144.7 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | 71.2 | 114 | 119.3 | 68.3 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 202 | S | 33.7 | Very low | 35.3 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | 81 | 159.7 | 121.9 | 75.8 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 203 | S | 36.5 | Very low | 35 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | 66.3 | 130.7 | -177.6 | 71.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 204 | S | 33.3 | Very low | 35.1 | Very low | 109 Ų | 109 | 140 Ų | 140 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | cis | 109.5 | 83.8 | 4.9 | 82.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 205 | T | 35.7 | Very low | 35 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -171 | 123 | 152.9 | 34.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 206 | S | 34.5 | Very low | 34.7 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | 61.8 | 134.4 | 68.4 | 78 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 207 | S | 33.6 | Very low | 34.8 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | cis | -176.9 | 178.6 | -6.7 | 54.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 208 | R | 32.5 | Very low | 34.8 | Very low | 228 Ų | 228 | 134.7 Ų | 134.7 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 78.2 | 134.4 | 168.7 | -59.2 | 163.6 | 153.8 | -174.7 | -9 | 115.9 | ||||
| 209 | S | 34.2 | Very low | 34.4 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | cis | 98.9 | 96.4 | 4.8 | -44 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 210 | S | 35 | Very low | 34.4 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -169.2 | 127.7 | 151.6 | 48.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 211 | S | 35.8 | Very low | 34.4 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | cis | 104.9 | 101.5 | 23 | -176.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 212 | S | 37.4 | Very low | 34.2 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | -142.7 | 152.7 | 157.5 | 57 | 0 | 0 | 0 | 0 | 109 | ||||
| 213 | A | 30.6 | Very low | 34.4 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | -130.7 | 156.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 214 | I | 40.7 | Very low | 34.3 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | trans | -146.4 | 126 | 153.2 | -80.6 | 110.3 | 0 | 0 | 0 | 108.9 | ||||
| 215 | D | 31.7 | Very low | 34.5 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | 36.5 | 156.3 | 156 | -68.9 | -62.6 | 0 | 0 | 0 | 126.5 | ||||
| 216 | M | 30.4 | Very low | 34.9 | Very low | 172 Ų | 172 | 128 Ų | 128 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | trans | -118.8 | 144.4 | -179.4 | -63.7 | 168.9 | -79.8 | 0 | 0 | 110.9 | ||||
| 217 | V | 39.3 | Very low | 35.4 | Very low | 148 Ų | 148 | 127.3 Ų | 127.3 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -129.3 | 146.9 | 155.3 | -66.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 218 | V | 32.3 | Very low | 35.4 | Very low | 139 Ų | 139 | 128.6 Ų | 128.6 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | trans | -103.7 | 133 | -163 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 219 | S | 32.2 | Very low | 35.5 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -158.4 | 152.7 | 155.4 | -83.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 220 | A | 32.6 | Very low | 35.6 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 74% | 0.744 | 75% | 0.752 | S | S | * | * | trans | -84.1 | 168.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 221 | S | 34.9 | Very low | 35.6 | Very low | 94 Ų | 94 | 123.1 Ų | 123.1 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | cis | -158 | -174.3 | 31.4 | -53.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 222 | D | 32.4 | Very low | 35.6 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 75.4 | 67.1 | 153.7 | -67.4 | 6.5 | 0 | 0 | 0 | 120.9 | ||||
| 223 | T | 37.5 | Very low | 35.5 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | trans | -123.2 | 156.6 | 138.8 | 73.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 224 | D | 34.7 | Very low | 35.7 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 52% | 0.519 | 75% | 0.751 | S | S | . | * | cis | -134.6 | 140.2 | 28.2 | -60.7 | -40.8 | 0 | 0 | 0 | 113.8 | ||||
| 225 | L | 37.7 | Very low | 35.3 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -152.1 | 91.2 | 157 | -83.7 | -172.4 | 0 | 0 | 0 | 111.8 | R82 | R82-L225 PolarHBondContact NH2-O 3.19Š| ||
| 226 | L | 43.9 | Very low | 35.4 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 55% | 0.545 | 76% | 0.755 | S | S | . | * | trans | -155.1 | 163.1 | 158.1 | -98.6 | 176.7 | 0 | 0 | 0 | 109.6 | ||||
| 227 | C | 44.6 | Very low | 35.7 | Very low | 87 Ų | 87 | 125.4 Ų | 125.4 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | trans | 62.8 | 134 | -171.9 | 88.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 228 | D | 32.5 | Very low | 35.4 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 66% | 0.658 | 75% | 0.747 | S | S | * | * | cis | -149 | 158.7 | -26.7 | -122 | -44.8 | 0 | 0 | 0 | 113.8 | R66 | R66-D228 IonicContact CZ-OD1 2.68Å; R66-D228 IonicContact NH2-OD1 3.6Å; R66-D228 PolarHBondContact NH2-OD1 3.42Å; R66-D228 IonicContact NH2-OD2 3.33Å | ||
| 229 | S | 36.2 | Very low | 35.7 | Very low | 92 Ų | 92 | 128 Ų | 128 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | trans | -148.8 | 91.8 | -179.3 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 230 | N | 35.4 | Very low | 36.1 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | -172.9 | 79.2 | 140.3 | -99.9 | -11.8 | 0 | 0 | 0 | 110.9 | ||||
| 231 | A | 36 | Very low | 36.3 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 93% | 0.926 | 73% | 0.733 | S | S | * | * | trans | -96.4 | 81.9 | 162 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 232 | R | 35.5 | Very low | 36.6 | Very low | 230 Ų | 230 | 136.4 Ų | 136.4 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | trans | -121.2 | 141.6 | 157.3 | -69.5 | 177.5 | 174.7 | 170.6 | -3 | 105.6 | ||||
| 233 | G | 35.3 | Very low | 37.1 | Very low | 67 Ų | 67 | 140.2 Ų | 140.2 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | cis | 148.2 | 66.2 | 8.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 234 | D | 33.8 | Very low | 37.2 | Very low | 158 Ų | 158 | 142.5 Ų | 142.5 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | 62.8 | 150.5 | 171.5 | -56.7 | -41.3 | 0 | 0 | 0 | 120.4 | ||||
| 235 | T | 33 | Very low | 37.3 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | 91 | 95.3 | 164.1 | -39.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 236 | C | 34.2 | Very low | 37.1 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 94% | 0.939 | 76% | 0.757 | S | S | * | * | trans | -144.2 | 141.4 | 136.4 | -103.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 237 | Q | 36.4 | Very low | 36.9 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -121.5 | 137.3 | -167.7 | -67.2 | 173.3 | -56.3 | 0 | 0 | 112.8 | ||||
| 238 | R | 32.7 | Very low | 36.4 | Very low | 228 Ų | 228 | 148.2 Ų | 148.2 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | 62.5 | 161.1 | 158.8 | -57.4 | 168.4 | 172.1 | 174.3 | -4.6 | 113.8 | ||||
| 239 | T | 38.3 | Very low | 36.7 | Very low | 113 Ų | 113 | 146 Ų | 146 | 69% | 0.693 | 79% | 0.792 | S | S | * | * | cis | -162.1 | 157.7 | 37.7 | 44 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 240 | M | 40.7 | Very low | 37 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 78% | 0.778 | 80% | 0.801 | S | S | * | * | trans | 60.2 | 119.8 | 164.4 | -52.9 | -43.9 | 169.5 | 0 | 0 | 116.9 | ||||
| 241 | D | 36.6 | Very low | 37.2 | Very low | 127 Ų | 127 | 147.2 Ų | 147.2 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | 76.3 | 103.7 | 60.9 | -80 | -74.4 | 0 | 0 | 0 | 114.3 | |||||
| 242 | E | 42 | Very low | 37.4 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -155.3 | 170.1 | 130.8 | -122.8 | -174.4 | 151.4 | 0 | 0 | 111.4 | ||||
| 243 | R | 41.4 | Very low | 37.5 | Very low | 218 Ų | 218 | 139.5 Ų | 139.5 | 82% | 0.823 | 79% | 0.786 | S | S | * | * | trans | -132.1 | 158.7 | -163 | -55 | 174 | -170.9 | 155.3 | 4.5 | 112.7 | ||||
| 244 | N | 39.8 | Very low | 38 | Very low | 155 Ų | 155 | 147.7 Ų | 147.7 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | 133.1 | 152 | 118.7 | -158.5 | 27.5 | 0 | 0 | 0 | 116.5 | |||||
| 245 | S | 37.6 | Very low | 38.6 | Very low | 84 Ų | 84 | 148 Ų | 148 | 59% | 0.587 | 80% | 0.799 | S | S | * | * | trans | 43.7 | 105.2 | 158.4 | -157.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 246 | S | 34.2 | Very low | 38.9 | Very low | 106 Ų | 106 | 146 Ų | 146 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | 59.9 | 112 | 61.5 | 81.7 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 247 | H | 39.1 | Very low | 39.2 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 88% | 0.884 | 79% | 0.785 | S | S | * | * | trans | -159.7 | 161.7 | 142.5 | -149.3 | -90.5 | 0 | 0 | 0 | 111.4 | ||||
| 248 | E | 34.5 | Very low | 39.5 | Very low | 186 Ų | 186 | 142.7 Ų | 142.7 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -103.8 | 168.6 | -168.7 | -54.6 | -149.4 | 138.3 | 0 | 0 | 116 | ||||
| 249 | G | 38.8 | Very low | 40 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -169.5 | 93.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 250 | V | 41.4 | Very low | 40.1 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | -41.8 | 144.6 | 168.6 | -137.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 251 | T | 40.3 | Very low | 40.2 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | -177.8 | 179 | 65.1 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 252 | S | 40.1 | Very low | 40.3 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | cis | 173.6 | 143.1 | -40.4 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 253 | G | 38.2 | Very low | 40.5 | Very low | 66 Ų | 66 | 135.6 Ų | 135.6 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | 94.9 | 143.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 254 | Y | 44.4 | Very low | 40.5 | Very low | 240 Ų | 240 | 135.4 Ų | 135.4 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | cis | -134.4 | 157.3 | 7.9 | -97.4 | -98.3 | 0 | 0 | 0 | 113.8 | ||||
| 255 | L | 46.1 | Very low | 40.4 | Very low | 165 Ų | 165 | 132.4 Ų | 132.4 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -90.7 | 174.7 | 176.5 | -70.7 | 161.1 | 0 | 0 | 0 | 110.9 | ||||
| 256 | A | 39.7 | Very low | 40.6 | Very low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | cis | -179.4 | 167 | -26.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 257 | S | 40.2 | Very low | 41.1 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | 172.1 | 112.1 | 148.7 | -85.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 258 | T | 44.4 | Very low | 41.1 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | 67.9 | 142 | 100.8 | 65.1 | 0 | 0 | 0 | 0 | 117 | |||||
| 259 | K | 42.5 | Very low | 41.3 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | cis | -169.3 | 161.4 | 0.6 | -114.8 | 168.1 | -176 | 178.6 | 0 | 110.1 | ||||
| 260 | S | 40.5 | Very low | 41.8 | Very low | 120 Ų | 120 | 134 Ų | 134 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | 65.4 | 157.5 | 156.3 | -77.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 261 | A | 43.4 | Very low | 41.8 | Very low | 90 Ų | 90 | 137.4 Ų | 137.4 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | cis | -148.4 | 167.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 262 | D | 38.5 | Very low | 41.7 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | trans | -77.3 | 152.2 | -179.2 | -38.8 | -103.1 | 0 | 0 | 0 | 113.6 | ||||
| 263 | D | 45.5 | Very low | 41.7 | Very low | 125 Ų | 125 | 141.8 Ų | 141.8 | 67% | 0.668 | 81% | 0.81 | S | S | * | * | trans | -165.8 | 151.4 | 135.5 | -134.6 | -26.9 | 0 | 0 | 0 | 115.9 | ||||
| 264 | R | 41.6 | Very low | 41.7 | Very low | 214 Ų | 214 | 141.9 Ų | 141.9 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | 60.7 | 147.4 | 163.9 | -68.4 | -175.5 | 180 | 66.2 | 20.8 | 122.2 | ||||
| 265 | A | 37.7 | Very low | 41.2 | Very low | 92 Ų | 92 | 136.1 Ų | 136.1 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -139.4 | -177.7 | -177 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 266 | S | 40.9 | Very low | 40.8 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | 70.9 | 103.3 | 163.7 | -58.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 267 | L | 44.8 | Very low | 41 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | -147.3 | 164.1 | 121.6 | -141.8 | 68.6 | 0 | 0 | 0 | 111.2 | |||||
| 268 | S | 40.6 | Very low | 41.4 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -108 | 127.3 | -151.8 | 55 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 269 | G | 36.9 | Very low | 41.5 | Very low | 74 Ų | 74 | 138.9 Ų | 138.9 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 45.7 | 131.2 | 130.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 270 | M | 50.3 | Low | 42 | Very low | 192 Ų | 192 | 133.7 Ų | 133.7 | 95% | 0.946 | 79% | 0.79 | S | S | * | * | trans | -151.2 | 122 | 152.7 | -106.3 | 171 | -167.4 | 0 | 0 | 112.6 | ||||
| 271 | K | 40.8 | Very low | 42.5 | Very low | 209 Ų | 209 | 136.5 Ų | 136.5 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | 38.7 | 130.9 | 157.8 | -75.8 | -176.2 | 171.1 | -179.2 | 0 | 122.2 | ||||
| 272 | E | 39.1 | Very low | 43.1 | Very low | 191 Ų | 191 | 140.6 Ų | 140.6 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -77.8 | 130.8 | 161 | -54 | 174.6 | 132.2 | 0 | 0 | 112.4 | ||||
| 273 | T | 40.7 | Very low | 44.1 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | -162.4 | 138.7 | 144.2 | 46.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 274 | G | 37.1 | Very low | 45.2 | Very low | 69 Ų | 69 | 138.7 Ų | 138.7 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | 141.8 | 119.7 | 6.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 275 | S | 34.7 | Very low | 47.2 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | trans | 72.2 | 114 | -169.2 | -160.4 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 276 | N | 37.6 | Very low | 49.6 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -164.1 | 75.2 | 159.3 | -107.1 | -14.6 | 0 | 0 | 0 | 109.4 | ||||
| 277 | G | 42.6 | Very low | 52 | Low | 64 Ų | 64 | 127.6 Ų | 127.6 | 66% | 0.66 | 71% | 0.708 | S | S | * | * | trans | -118.6 | -18.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 278 | E | 48.7 | Very low | 54.2 | Low | 177 Ų | 177 | 121.6 Ų | 121.6 | 83% | 0.827 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -115.7 | -14.4 | -160.3 | -57 | -162.9 | 134.5 | 0 | 0 | 115.6 | S280 | E278-S280 VanDerWaalsContact C-N 3.29Å; E278-S280 PolarHBondContact O-N 3.17Å |
| 279 | E | 46.4 | Very low | 56.7 | Low | 136 Ų | 136 | 118.3 Ų | 118.3 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -64.5 | -28.6 | -176.8 | -70.3 | -169.6 | 120 | 0 | 0 | 114.3 | K281 F282 | E279-K281 PolarHBondContact O-N 3.14Å; E279-F282 PolarHBondContact O-N 3.2Å |
| 280 | S | 53.3 | Low | 59.5 | Low | 74 Ų | 74 | 115.6 Ų | 115.6 | 52% | 0.517 | 62% | 0.62 | S | S | . | * | G | 310 helix | trans | -59.1 | -6.7 | -166.2 | 67.3 | 0 | 0 | 0 | 0 | 117.3 | E278 | E278-S280 VanDerWaalsContact C-N 3.29Å; E278-S280 PolarHBondContact O-N 3.17Å |
| 281 | K | 51.6 | Low | 61.7 | Low | 179 Ų | 179 | 109.2 Ų | 109.2 | 78% | 0.778 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -92.6 | -26.9 | 174.3 | -69.9 | 179.1 | -179.8 | 172.1 | 0 | 113.5 | E279 | E279-K281 PolarHBondContact O-N 3.14Š|
| 282 | F | 55.6 | Low | 64.3 | Low | 175 Ų | 175 | 99.8 Ų | 99.8 | 77% | 0.768 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -32.3 | -179.1 | -75.8 | -77.5 | 0 | 0 | 0 | 113.1 | E279 K284 A285 | E279-F282 PolarHBondContact O-N 3.2Å; F282-K284 PolarHBondContact O-N 3.23Å; F282-A285 WeakPolarHBondContact O-CB 3.36Å; F282-A285 PolarHBondContact O-N 3Å |
| 283 | D | 59.8 | Low | 67 | Low | 87 Ų | 87 | 91.8 Ų | 91.8 | 47% | 0.465 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -22.1 | 176.8 | -68 | -40.1 | 0 | 0 | 0 | 115 | P321 Y322 | D283-P321 HydrophobicContact CB-CG 4.43Å; D283-Y322 PolarHBondContact O-N 2.87Å |
| 284 | K | 69.1 | Low | 69.7 | Low | 157 Ų | 157 | 84.9 Ų | 84.9 | 68% | 0.683 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | 0.7 | -176 | -55.8 | -176.4 | -172.3 | 178.5 | 0 | 112.7 | F282 Y322 | F282-K284 PolarHBondContact O-N 3.23Å; K284-Y322 WeakPolarHBondContact O-CD2 3.48Å |
| 285 | A | 82.8 | Confident | 72.5 | Confident | 55 Ų | 55 | 81.6 Ų | 81.6 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -75.4 | 146.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F282 | F282-A285 WeakPolarHBondContact O-CB 3.36Å; F282-A285 PolarHBondContact O-N 3Å |
| 286 | K | 88.2 | Confident | 75.5 | Confident | 120 Ų | 120 | 76.1 Ų | 76.1 | 52% | 0.522 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 125.5 | 171.8 | -175.9 | 171.6 | -171.7 | 163 | 0 | 109.3 | Y322 | K286-Y322 HydrophobicContact CB-CD1 4.15Å; K286-Y322 HydrophobicContact CB-CD2 4.35Å; K286-Y322 HydrophobicContact CB-CE1 3.81Å; K286-Y322 HydrophobicContact CB-CE2 4.02Å; K286-Y322 HydrophobicContact CB-CG 4.41Å; K286-Y322 HydrophobicContact CD-CE1 3.97Å; K286-Y322 HydrophobicContact CG-CD1 4.14Å; K286-Y322 HydrophobicContact CG-CE1 3.61Å |
| 287 | P | 90.5 | Very high | 78.3 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 9% | 0.091 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 148.2 | -175.2 | 24.7 | -33.8 | 0 | 0 | 0 | 112.4 | Y289 Y320 Y323 | P287-Y289 HydrophobicContact CB-CD2 4.1Å; P287-Y289 PolarHBondContact O-N 3.03Å; P287-Y320 HydrophobicContact CB-CD1 3.67Å; P287-Y320 HydrophobicContact CB-CE1 3.84Å; P287-Y320 HydrophobicContact CB-CG 4.23Å; P287-Y320 HydrophobicContact CG-CD1 3.86Å; P287-Y320 HydrophobicContact CG-CD2 4.48Å; P287-Y320 HydrophobicContact CG-CE1 4.41Å; P287-Y320 HydrophobicContact CG-CG 3.9Å; P287-Y323 HydrophobicContact CG-CE2 3.7Å |
| 288 | P | 91.5 | Very high | 80.9 | Confident | 58 Ų | 58 | 66 Ų | 66 | 38% | 0.377 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -76.9 | 29.9 | -178.1 | 34.1 | -38 | 0 | 0 | 0 | 113.8 | Q377 R378 | P288-Q377 HydrophobicContact CB-CB 4.21Å; P288-Q377 HydrophobicContact CB-CG 4.44Å; P288-Q377 HydrophobicContact CG-CB 4.11Å; P288-Q377 HydrophobicContact CG-CG 3.8Å; P288-R378 PolarHBondContact O-N 2.88Å |
| 289 | Y | 94.1 | Very high | 83.2 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -115.6 | 148.7 | -178.3 | -58.4 | -56.7 | 0 | 0 | 0 | 110.9 | P287 L294 Y320 F375 Q377 | P287-Y289 HydrophobicContact CB-CD2 4.1Å; P287-Y289 PolarHBondContact O-N 3.03Å; Y289-L294 HydrophobicContact CD2-CD2 4.36Å; Y289-Y320 HydrophobicContact CD2-CE1 4.33Å; Y289-Y320 AromaticContact CD2-CZ 3.94Å; Y289-Y320 HydrophobicContact CE2-CE1 4.32Å; Y289-Y320 WeakPolarHBondContact CE2-OH 3.25Å; Y289-F375 WeakPolarHBondContact CE1-O 3.5Å; Y289-Q377 HydrophobicContact CE1-CB 4.39Å; Y289-Q377 HydrophobicContact CE1-CG 3.83Å |
| 290 | S | 94.9 | Very high | 85.5 | Confident | 17 Ų | 17 | 53.1 Ų | 53.1 | 12% | 0.119 | 27% | 0.271 | C | S | . | . | trans | -81.5 | 159.6 | 171.9 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | A292 Q293 L294 R378 | S290-A292 PolarHBondContact O-N 2.73Å; S290-Q293 PolarHBondContact O-N 2.9Å; S290-Q293 WeakPolarHBondContact OG-CG 3.41Å; S290-Q293 PolarHBondContact OG-N 3.1Å; S290-Q293 PolarHBondContact OG-OE1 3.16Å; S290-L294 WeakPolarHBondContact O-CG 3.46Å; S290-L294 PolarHBondContact O-N 2.87Å; S290-R378 VanDerWaalsContact CB-CZ 3.42Å | ||
| 291 | Y | 96.5 | Very high | 87.5 | Confident | 59 Ų | 59 | 52.9 Ų | 52.9 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -54.7 | -38.9 | 175.1 | -62.9 | -54.5 | 0 | 0 | 0 | 112.8 | L294 I295 Y323 W330 S333 I334 | Y291-L294 HydrophobicContact CD1-CD1 4.25Å; Y291-L294 PolarHBondContact O-N 3.09Å; Y291-I295 WeakPolarHBondContact O-CD1 3.41Å; Y291-I295 WeakPolarHBondContact O-CG1 3.37Å; Y291-I295 PolarHBondContact O-N 3.03Å; Y291-Y323 HydrophobicContact CE1-CE1 4.16Å; Y291-W330 HydrophobicContact CE1-CB 4.33Å; Y291-S333 WeakPolarHBondContact CE2-OG 3.29Å; Y291-I334 HydrophobicContact CD1-CD1 3.98Å; Y291-I334 HydrophobicContact CD1-CG1 4.43Å; Y291-I334 HydrophobicContact CG-CD1 4.4Å |
| 292 | A | 95.8 | Very high | 89.5 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.6 | -48.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S290 L294 I295 V296 Y343 F344 | S290-A292 PolarHBondContact O-N 2.73Å; A292-L294 PolarHBondContact O-N 2.87Å; A292-I295 PolarHBondContact O-N 2.98Å; A292-V296 WeakPolarHBondContact O-CG2 3.26Å; A292-V296 PolarHBondContact O-N 3.41Å; A292-Y343 WeakPolarHBondContact CB-OH 3.42Å; A292-F344 HydrophobicContact CB-CE2 4.4Å; A292-F344 HydrophobicContact CB-CZ 4.36Å |
| 293 | Q | 95.8 | Very high | 91.4 | Very high | 22 Ų | 22 | 42.8 Ų | 42.8 | 10% | 0.103 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 177.3 | -70.9 | 166.3 | -70.6 | 0 | 0 | 112.2 | S290 I295 V296 Q297 F373 R376 | S290-Q293 PolarHBondContact O-N 2.9Å; S290-Q293 WeakPolarHBondContact OG-CG 3.41Å; S290-Q293 PolarHBondContact OG-N 3.1Å; S290-Q293 PolarHBondContact OG-OE1 3.16Å; Q293-I295 VanDerWaalsContact C-N 3.3Å; Q293-I295 PolarHBondContact O-N 3.31Å; Q293-V296 PolarHBondContact O-N 3.3Å; Q293-Q297 VanDerWaalsContact O-CG 3.27Å; Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-N 3.14Å; Q293-F373 PolarHBondContact NE2-O 2.73Å; Q293-R376 PolarHBondContact NE2-O 3.42Å |
| 294 | L | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -36 | 175.7 | -67.6 | 173.5 | 0 | 0 | 0 | 112.4 | Y289 S290 Y291 A292 A298 I316 Y320 Y323 | Y289-L294 HydrophobicContact CD2-CD2 4.36Å; S290-L294 WeakPolarHBondContact O-CG 3.46Å; S290-L294 PolarHBondContact O-N 2.87Å; Y291-L294 HydrophobicContact CD1-CD1 4.25Å; Y291-L294 PolarHBondContact O-N 3.09Å; A292-L294 PolarHBondContact O-N 2.87Å; L294-A298 WeakPolarHBondContact O-CB 3.45Å; L294-A298 PolarHBondContact O-N 3.48Å; L294-A298 VanDerWaalsContact O-N 3.1Å; L294-I316 HydrophobicContact CB-CD1 4.01Å; L294-I316 HydrophobicContact CB-CG1 4.23Å; L294-Y320 HydrophobicContact CD2-CD2 3.61Å; L294-Y320 HydrophobicContact CD2-CE2 3.29Å; L294-Y323 HydrophobicContact CD1-CE2 3.97Å |
| 295 | I | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.1 | -44 | 173.9 | -66.1 | 158.2 | 0 | 0 | 0 | 110.7 | Y291 A292 Q293 A298 I299 I312 I334 N337 L338 F344 | Y291-I295 WeakPolarHBondContact O-CD1 3.41Å; Y291-I295 WeakPolarHBondContact O-CG1 3.37Å; Y291-I295 PolarHBondContact O-N 3.03Å; A292-I295 PolarHBondContact O-N 2.98Å; Q293-I295 VanDerWaalsContact C-N 3.3Å; Q293-I295 PolarHBondContact O-N 3.31Å; I295-A298 WeakPolarHBondContact O-CB 3.49Å; I295-A298 PolarHBondContact O-N 3.49Å; I295-I299 HydrophobicContact CG2-CD1 3.71Å; I295-I299 HydrophobicContact CG2-CG1 4.34Å; I295-I299 WeakPolarHBondContact O-CG1 3.4Å; I295-I299 PolarHBondContact O-N 3.25Å; I295-I312 HydrophobicContact CG1-CG2 4.13Å; I295-I312 HydrophobicContact CG2-CD1 4.28Å; I295-I334 HydrophobicContact CD1-CD1 4.03Å; I295-I334 HydrophobicContact CD1-CG2 4.3Å; I295-I334 HydrophobicContact CG1-CD1 3.83Å; I295-I334 HydrophobicContact CG1-CG2 4.33Å; I295-N337 HydrophobicContact CD1-CB 3.78Å; I295-L338 HydrophobicContact CD1-CD2 4.13Å; I295-L338 HydrophobicContact CD1-CG 4.01Å; I295-L338 HydrophobicContact CG2-CD2 3.68Å; I295-F344 HydrophobicContact CB-CE1 3.94Å; I295-F344 HydrophobicContact CB-CE2 4.31Å; I295-F344 HydrophobicContact CB-CZ 3.66Å; I295-F344 HydrophobicContact CD1-CE2 4Å; I295-F344 HydrophobicContact CD1-CZ 4.21Å; I295-F344 HydrophobicContact CG2-CD1 3.78Å; I295-F344 HydrophobicContact CG2-CE1 3.31Å; I295-F344 HydrophobicContact CG2-CE2 4.12Å; I295-F344 HydrophobicContact CG2-CG 4.38Å; I295-F344 HydrophobicContact CG2-CZ 3.5Å |
| 296 | V | 96.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -49.8 | 176.8 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | A292 Q293 A298 I299 S300 F344 L362 L370 M371 A374 | A292-V296 WeakPolarHBondContact O-CG2 3.26Å; A292-V296 PolarHBondContact O-N 3.41Å; Q293-V296 PolarHBondContact O-N 3.3Å; V296-A298 VanDerWaalsContact C-N 3.25Å; V296-A298 PolarHBondContact O-N 3.42Å; V296-I299 PolarHBondContact O-N 3.41Å; V296-S300 WeakPolarHBondContact O-CB 3.29Å; V296-S300 PolarHBondContact O-N 3.49Å; V296-S300 PolarHBondContact O-OG 3.31Å; V296-F344 HydrophobicContact CG2-CE1 3.87Å; V296-F344 HydrophobicContact CG2-CZ 4.1Å; V296-L362 HydrophobicContact CG1-CD1 4.07Å; V296-L362 HydrophobicContact CG2-CD2 3.98Å; V296-L370 HydrophobicContact CG1-CB 4.07Å; V296-L370 HydrophobicContact CG2-CB 4.15Å; V296-M371 HydrophobicContact CG1-CG 4.49Å; V296-A374 HydrophobicContact CB-CB 4.17Å; V296-A374 HydrophobicContact CG1-CB 3.73Å |
| 297 | Q | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -53.3 | -43.1 | 174.5 | -69.6 | 171.3 | 3.6 | 0 | 0 | 111.9 | Q293 S301 Y315 Y320 A374 F375 | Q293-Q297 VanDerWaalsContact O-CG 3.27Å; Q293-Q297 WeakPolarHBondContact O-CG 3.47Å; Q293-Q297 PolarHBondContact O-N 3.14Å; Q297-S301 PolarHBondContact O-N 2.95Å; Q297-Y315 HydrophobicContact CB-CE1 3.87Å; Q297-Y315 PolarHBondContact O-OH 3.37Å; Q297-Y320 PolarHBondContact OE1-OH 2.89Å; Q297-Y320 VanDerWaalsContact OE1-OH 3.11Å; Q297-A374 HydrophobicContact CG-CB 4Å; Q297-A374 PolarHBondContact NE2-O 3.42Å; Q297-F375 HydrophobicContact CG-CD1 4.41Å; Q297-F375 HydrophobicContact CG-CE1 3.97Å; Q297-F375 HydrophobicContact CG-CZ 4.13Å |
| 298 | A | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -49 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | L294 I295 V296 S301 L307 I312 Y315 | L294-A298 WeakPolarHBondContact O-CB 3.45Å; L294-A298 PolarHBondContact O-N 3.48Å; L294-A298 VanDerWaalsContact O-N 3.1Å; I295-A298 WeakPolarHBondContact O-CB 3.49Å; I295-A298 PolarHBondContact O-N 3.49Å; V296-A298 VanDerWaalsContact C-N 3.25Å; V296-A298 PolarHBondContact O-N 3.42Å; A298-S301 PolarHBondContact O-N 3.34Å; A298-S301 PolarHBondContact O-OG 2.74Å; A298-L307 HydrophobicContact CB-CD2 3.82Å; A298-I312 HydrophobicContact CB-CG1 4.42Å; A298-I312 HydrophobicContact CB-CG2 4.43Å; A298-Y315 VanDerWaalsContact CA-CD1 3.45Å; A298-Y315 HydrophobicContact CB-CD1 3.39Å; A298-Y315 HydrophobicContact CB-CD2 4.33Å; A298-Y315 HydrophobicContact CB-CE1 3.96Å; A298-Y315 HydrophobicContact CB-CG 3.6Å |
| 299 | I | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.7 | -46.7 | -178.4 | -64.4 | 170.4 | 0 | 0 | 0 | 110.7 | I295 V296 S301 T302 K305 L307 F344 W360 L362 | I295-I299 HydrophobicContact CG2-CD1 3.71Å; I295-I299 HydrophobicContact CG2-CG1 4.34Å; I295-I299 WeakPolarHBondContact O-CG1 3.4Å; I295-I299 PolarHBondContact O-N 3.25Å; V296-I299 PolarHBondContact O-N 3.41Å; I299-S301 PolarHBondContact O-N 3.06Å; I299-S301 VanDerWaalsContact O-N 3.13Å; I299-T302 PolarHBondContact O-N 2.96Å; I299-T302 PolarHBondContact O-OG1 3.43Å; I299-K305 VanDerWaalsContact CG2-C 3.49Å; I299-K305 WeakPolarHBondContact CG2-O 3.29Å; I299-L307 HydrophobicContact CG1-CB 4.23Å; I299-F344 HydrophobicContact CD1-CD1 4.13Å; I299-F344 HydrophobicContact CD1-CE1 4.4Å; I299-W360 HydrophobicContact CD1-CB 4.38Å; I299-L362 HydrophobicContact CB-CG 4.37Å; I299-L362 HydrophobicContact CD1-CD2 4.2Å; I299-L362 HydrophobicContact CD1-CG 4.46Å; I299-L362 HydrophobicContact CG2-CD1 4.39Å; I299-L362 HydrophobicContact CG2-CG 3.98Å |
| 300 | S | 94.8 | Very high | 95.8 | Very high | 42 Ų | 42 | 39.6 Ų | 39.6 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.4 | -10.8 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 114.5 | V296 T302 M371 | V296-S300 WeakPolarHBondContact O-CB 3.29Å; V296-S300 PolarHBondContact O-N 3.49Å; V296-S300 PolarHBondContact O-OG 3.31Å; S300-T302 VanDerWaalsContact C-N 3.3Å; S300-M371 VanDerWaalsContact OG-CG 3.27Å; S300-M371 WeakPolarHBondContact OG-CG 3.49Å; S300-M371 PolarHBondContact OG-SD 3.2Å |
| 301 | S | 94.8 | Very high | 95.9 | Very high | 68 Ų | 68 | 39.6 Ų | 39.6 | 48% | 0.476 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -9.1 | 171.6 | 78 | 0 | 0 | 0 | 0 | 114.2 | Q297 A298 I299 Y315 | Q297-S301 PolarHBondContact O-N 2.95Å; A298-S301 PolarHBondContact O-N 3.34Å; A298-S301 PolarHBondContact O-OG 2.74Å; I299-S301 PolarHBondContact O-N 3.06Å; I299-S301 VanDerWaalsContact O-N 3.13Å; S301-Y315 VanDerWaalsContact OG-CD2 3.28Å; S301-Y315 WeakPolarHBondContact OG-CD2 3.47Å; S301-Y315 WeakPolarHBondContact OG-CE2 3Å |
| 302 | T | 95 | Very high | 95.9 | Very high | 33 Ų | 33 | 36.8 Ų | 36.8 | 20% | 0.202 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -96.9 | 138.8 | 177.9 | 65.9 | 0 | 0 | 0 | 0 | 111.3 | I299 S300 E304 K305 Q306 L307 | I299-T302 PolarHBondContact O-N 2.96Å; I299-T302 PolarHBondContact O-OG1 3.43Å; S300-T302 VanDerWaalsContact C-N 3.3Å; T302-E304 PolarHBondContact O-N 3.11Å; T302-K305 PolarHBondContact O-N 2.99Å; T302-K305 VanDerWaalsContact O-N 3.09Å; T302-K305 WeakPolarHBondContact OG1-CA 3.49Å; T302-K305 PolarHBondContact OG1-N 3.2Å; T302-Q306 PolarHBondContact OG1-N 3.26Å; T302-Q306 VanDerWaalsContact OG1-N 3.07Å; T302-Q306 PolarHBondContact OG1-O 2.94Å; T302-L307 HydrophobicContact CG2-CB 4.26Å; T302-L307 HydrophobicContact CG2-CD1 3.92Å; T302-L307 HydrophobicContact CG2-CD2 4.45Å; T302-L307 HydrophobicContact CG2-CG 4.43Å |
| 303 | A | 94.5 | Very high | 96 | Very high | 109 Ų | 109 | 37.7 Ų | 37.7 | 90% | 0.901 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -33.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K305 | A303-K305 VanDerWaalsContact C-N 3.28Å; A303-K305 PolarHBondContact O-N 3.18Å |
| 304 | E | 93.1 | Very high | 96 | Very high | 135 Ų | 135 | 39.3 Ų | 39.3 | 63% | 0.631 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -4.7 | 177.9 | -56.6 | -180 | -175.3 | 0 | 0 | 113.9 | T302 Q306 | T302-E304 PolarHBondContact O-N 3.11Å; E304-Q306 HydrophobicContact CB-CG 3.71Å; E304-Q306 PolarHBondContact O-N 3.23Å; E304-Q306 VanDerWaalsContact O-N 3.16Å; E304-Q306 PolarHBondContact OE2-NE2 3.32Å |
| 305 | K | 93.7 | Very high | 96.1 | Very high | 103 Ų | 103 | 41.4 Ų | 41.4 | 45% | 0.448 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 53.1 | 29.1 | -172.7 | -55.7 | 179.1 | 173.2 | -166.2 | 0 | 114.2 | I299 T302 A303 E367 | I299-K305 VanDerWaalsContact CG2-C 3.49Å; I299-K305 WeakPolarHBondContact CG2-O 3.29Å; T302-K305 PolarHBondContact O-N 2.99Å; T302-K305 VanDerWaalsContact O-N 3.09Å; T302-K305 WeakPolarHBondContact OG1-CA 3.49Å; T302-K305 PolarHBondContact OG1-N 3.2Å; A303-K305 VanDerWaalsContact C-N 3.28Å; A303-K305 PolarHBondContact O-N 3.18Å; K305-E367 WeakPolarHBondContact CD-OE1 3.46Å; K305-E367 WeakPolarHBondContact CE-OE1 3.36Å; K305-E367 IonicContact NZ-OE1 3.59Å; K305-E367 PolarHBondContact NZ-OE1 3.49Å; K305-E367 IonicContact NZ-OE2 2.71Å; K305-E367 PolarHBondContact NZ-OE2 2.8Å |
| 306 | Q | 94.8 | Very high | 96 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 19% | 0.192 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 142.8 | 177.4 | 63.9 | 174.3 | -0.8 | 0 | 0 | 111.2 | T302 E304 I347 F359 W360 | T302-Q306 PolarHBondContact OG1-N 3.26Å; T302-Q306 VanDerWaalsContact OG1-N 3.07Å; T302-Q306 PolarHBondContact OG1-O 2.94Å; E304-Q306 HydrophobicContact CB-CG 3.71Å; E304-Q306 PolarHBondContact O-N 3.23Å; E304-Q306 VanDerWaalsContact O-N 3.16Å; E304-Q306 PolarHBondContact OE2-NE2 3.32Å; Q306-I347 HydrophobicContact CB-CD1 4.13Å; Q306-F359 HydrophobicContact CB-CB 4.29Å; Q306-F359 HydrophobicContact CB-CD1 4.44Å; Q306-F359 HydrophobicContact CG-CD1 4.05Å; Q306-F359 HydrophobicContact CG-CG 4.41Å; Q306-W360 CarbonylContact C-O 3.6Å; Q306-W360 WeakPolarHBondContact CA-O 3.49Å |
| 307 | L | 96.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 44 Ų | 44 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 142.4 | -178.8 | -169.1 | 55.9 | 0 | 0 | 0 | 111.4 | A298 I299 T302 I312 W360 | A298-L307 HydrophobicContact CB-CD2 3.82Å; I299-L307 HydrophobicContact CG1-CB 4.23Å; T302-L307 HydrophobicContact CG2-CB 4.26Å; T302-L307 HydrophobicContact CG2-CD1 3.92Å; T302-L307 HydrophobicContact CG2-CD2 4.45Å; T302-L307 HydrophobicContact CG2-CG 4.43Å; L307-I312 HydrophobicContact CB-CG1 4.2Å; L307-I312 HydrophobicContact CD2-CB 4.49Å; L307-I312 HydrophobicContact CD2-CG1 3.83Å; L307-I312 HydrophobicContact CG-CG1 3.97Å; L307-W360 PolarHBondContact N-O 2.87Å; L307-W360 PolarHBondContact O-N 2.95Å |
| 308 | T | 96.9 | Very high | 95.9 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 157.2 | 175 | 69.3 | 0 | 0 | 0 | 0 | 110.8 | S310 G311 I312 F359 | T308-S310 PolarHBondContact O-N 3.22Å; T308-G311 CarbonylContact O-C 3.57Å; T308-G311 WeakPolarHBondContact O-CA 3.26Å; T308-G311 PolarHBondContact O-N 3.02Å; T308-G311 PolarHBondContact OG1-N 3.11Å; T308-G311 VanDerWaalsContact OG1-N 3.15Å; T308-I312 PolarHBondContact O-N 3.38Å; T308-F359 HydrophobicContact CG2-CD1 3.77Å; T308-F359 HydrophobicContact CG2-CE1 3.71Å; T308-F359 HydrophobicContact CG2-CZ 4.43Å |
| 309 | L | 97.3 | Very high | 95.7 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -53.9 | -39.9 | 176.1 | 179.4 | 63 | 0 | 0 | 0 | 112.8 | I312 Y313 I334 R335 L338 | L309-I312 PolarHBondContact O-N 3.02Å; L309-Y313 HydrophobicContact CD1-CE1 3.82Å; L309-Y313 HydrophobicContact CD1-CE2 4.42Å; L309-Y313 HydrophobicContact CG-CE1 4.3Å; L309-Y313 HydrophobicContact CG-CE2 4Å; L309-Y313 PolarHBondContact O-N 2.7Å; L309-I334 HydrophobicContact CD1-CG2 4.24Å; L309-R335 HydrophobicContact CD1-CG 4.04Å; L309-R335 HydrophobicContact CD2-CG 3.96Å; L309-L338 HydrophobicContact CD1-CD1 3.63Å |
| 310 | S | 96.2 | Very high | 95.6 | Very high | 81 Ų | 81 | 56.6 Ų | 56.6 | 57% | 0.566 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | 174.9 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | T308 Y313 A314 | T308-S310 PolarHBondContact O-N 3.22Å; S310-Y313 PolarHBondContact O-N 3.02Å; S310-A314 PolarHBondContact O-N 3.36Å |
| 311 | G | 96.8 | Very high | 95.5 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 18% | 0.175 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T308 Y313 A314 Y315 | T308-G311 CarbonylContact O-C 3.57Å; T308-G311 WeakPolarHBondContact O-CA 3.26Å; T308-G311 PolarHBondContact O-N 3.02Å; T308-G311 PolarHBondContact OG1-N 3.11Å; T308-G311 VanDerWaalsContact OG1-N 3.15Å; G311-Y313 VanDerWaalsContact C-N 3.34Å; G311-Y313 PolarHBondContact O-N 2.83Å; G311-A314 PolarHBondContact O-N 2.75Å; G311-Y315 PolarHBondContact O-N 2.74Å |
| 312 | I | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 174.8 | -65.3 | 167.1 | 0 | 0 | 0 | 110.3 | I295 A298 L307 T308 L309 A314 Y315 I316 I334 L338 W360 | I295-I312 HydrophobicContact CG1-CG2 4.13Å; I295-I312 HydrophobicContact CG2-CD1 4.28Å; A298-I312 HydrophobicContact CB-CG1 4.42Å; A298-I312 HydrophobicContact CB-CG2 4.43Å; L307-I312 HydrophobicContact CB-CG1 4.2Å; L307-I312 HydrophobicContact CD2-CB 4.49Å; L307-I312 HydrophobicContact CD2-CG1 3.83Å; L307-I312 HydrophobicContact CG-CG1 3.97Å; T308-I312 PolarHBondContact O-N 3.38Å; L309-I312 PolarHBondContact O-N 3.02Å; I312-A314 PolarHBondContact O-N 3.07Å; I312-Y315 PolarHBondContact O-N 3.07Å; I312-I316 HydrophobicContact CG2-CD1 3.9Å; I312-I316 WeakPolarHBondContact O-CG1 3.45Å; I312-I316 PolarHBondContact O-N 3.4Å; I312-I316 VanDerWaalsContact O-N 3.11Å; I312-I334 HydrophobicContact CG2-CG2 3.95Å; I312-L338 HydrophobicContact CD1-CD1 4.05Å; I312-L338 HydrophobicContact CD1-CD2 4.14Å; I312-W360 HydrophobicContact CD1-CB 4.31Å |
| 313 | Y | 97.2 | Very high | 95.3 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 174.8 | -57.5 | -30.5 | 0 | 0 | 0 | 112 | L309 S310 G311 I316 I317 W330 Q331 I334 R335 | L309-Y313 HydrophobicContact CD1-CE1 3.82Å; L309-Y313 HydrophobicContact CD1-CE2 4.42Å; L309-Y313 HydrophobicContact CG-CE1 4.3Å; L309-Y313 HydrophobicContact CG-CE2 4Å; L309-Y313 PolarHBondContact O-N 2.7Å; S310-Y313 PolarHBondContact O-N 3.02Å; G311-Y313 VanDerWaalsContact C-N 3.34Å; G311-Y313 PolarHBondContact O-N 2.83Å; Y313-I316 PolarHBondContact O-N 3.32Å; Y313-I317 WeakPolarHBondContact O-CB 3.32Å; Y313-I317 WeakPolarHBondContact O-CG1 3.45Å; Y313-I317 PolarHBondContact O-N 3.04Å; Y313-W330 HydrophobicContact CD1-CH2 4.15Å; Y313-W330 AromaticContact CD1-CZ3 3.84Å; Y313-W330 HydrophobicContact CD1-CZ3 3.84Å; Y313-W330 HydrophobicContact CG-CH2 4.4Å; Y313-Q331 HydrophobicContact CD1-CB 4.3Å; Y313-Q331 HydrophobicContact CD1-CG 4Å; Y313-Q331 HydrophobicContact CE1-CB 3.67Å; Y313-Q331 HydrophobicContact CE1-CG 3.89Å; Y313-Q331 HydrophobicContact CE2-CB 4.48Å; Y313-Q331 HydrophobicContact CG-CG 4.37Å; Y313-I334 HydrophobicContact CD1-CG2 4.3Å; Y313-I334 HydrophobicContact CE1-CB 4.16Å; Y313-I334 HydrophobicContact CE1-CG2 3.88Å; Y313-R335 WeakPolarHBondContact OH-CG 3.21Å; Y313-R335 PolarHBondContact OH-NH1 2.84Å |
| 314 | A | 96.7 | Very high | 95.2 | Very high | 57 Ų | 57 | 56.3 Ų | 56.3 | 47% | 0.471 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S310 G311 I312 I317 K318 | S310-A314 PolarHBondContact O-N 3.36Å; G311-A314 PolarHBondContact O-N 2.75Å; I312-A314 PolarHBondContact O-N 3.07Å; A314-I317 PolarHBondContact O-N 3.2Å; A314-K318 VanDerWaalsContact O-CB 3.28Å; A314-K318 WeakPolarHBondContact O-CB 3.41Å; A314-K318 PolarHBondContact O-N 3.49Å |
| 315 | Y | 97.2 | Very high | 94.9 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 175.3 | -179.9 | -86.9 | 0 | 0 | 0 | 111.8 | Q297 A298 S301 G311 I312 I317 K318 N319 | Q297-Y315 HydrophobicContact CB-CE1 3.87Å; Q297-Y315 PolarHBondContact O-OH 3.37Å; A298-Y315 VanDerWaalsContact CA-CD1 3.45Å; A298-Y315 HydrophobicContact CB-CD1 3.39Å; A298-Y315 HydrophobicContact CB-CD2 4.33Å; A298-Y315 HydrophobicContact CB-CE1 3.96Å; A298-Y315 HydrophobicContact CB-CG 3.6Å; S301-Y315 VanDerWaalsContact OG-CD2 3.28Å; S301-Y315 WeakPolarHBondContact OG-CD2 3.47Å; S301-Y315 WeakPolarHBondContact OG-CE2 3Å; G311-Y315 PolarHBondContact O-N 2.74Å; I312-Y315 PolarHBondContact O-N 3.07Å; Y315-I317 VanDerWaalsContact C-N 3.34Å; Y315-I317 PolarHBondContact O-N 2.73Å; Y315-K318 PolarHBondContact O-N 3.12Å; Y315-N319 WeakPolarHBondContact CD1-ND2 3.09Å; Y315-N319 WeakPolarHBondContact CD2-ND2 3.21Å; Y315-N319 WeakPolarHBondContact CE1-ND2 3.46Å; Y315-N319 WeakPolarHBondContact CE2-ND2 3.44Å; Y315-N319 PolarHBondContact O-N 2.71Å; Y315-N319 PolarHBondContact O-ND2 2.94Å |
| 316 | I | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | -179.9 | -67.6 | 171.3 | 0 | 0 | 0 | 110.4 | L294 I312 Y313 K318 Y320 Y323 W330 I334 | L294-I316 HydrophobicContact CB-CD1 4.01Å; L294-I316 HydrophobicContact CB-CG1 4.23Å; I312-I316 HydrophobicContact CG2-CD1 3.9Å; I312-I316 WeakPolarHBondContact O-CG1 3.45Å; I312-I316 PolarHBondContact O-N 3.4Å; I312-I316 VanDerWaalsContact O-N 3.11Å; Y313-I316 PolarHBondContact O-N 3.32Å; I316-K318 PolarHBondContact O-N 3.01Å; I316-Y320 WeakPolarHBondContact O-CB 3.37Å; I316-Y320 PolarHBondContact O-N 2.81Å; I316-Y323 HydrophobicContact CG2-CD2 3.37Å; I316-Y323 HydrophobicContact CG2-CE2 3.86Å; I316-Y323 HydrophobicContact CG2-CG 3.8Å; I316-W330 HydrophobicContact CB-CH2 4.44Å; I316-W330 HydrophobicContact CB-CZ3 4.3Å; I316-W330 HydrophobicContact CD1-CZ3 4.29Å; I316-W330 HydrophobicContact CG2-CH2 4.26Å; I316-W330 HydrophobicContact CG2-CZ3 4.04Å; I316-I334 HydrophobicContact CD1-CD1 3.5Å; I316-I334 VanDerWaalsContact CD1-CD1 3.5Å; I316-I334 HydrophobicContact CD1-CG1 4.17Å |
| 317 | I | 94.7 | Very high | 94 | Very high | 58 Ų | 58 | 57.4 Ų | 57.4 | 30% | 0.297 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 174.5 | -81.2 | 167 | 0 | 0 | 0 | 112.4 | Y313 A314 Y315 R324 W330 | Y313-I317 WeakPolarHBondContact O-CB 3.32Å; Y313-I317 WeakPolarHBondContact O-CG1 3.45Å; Y313-I317 PolarHBondContact O-N 3.04Å; A314-I317 PolarHBondContact O-N 3.2Å; Y315-I317 VanDerWaalsContact C-N 3.34Å; Y315-I317 PolarHBondContact O-N 2.73Å; I317-R324 HydrophobicContact CG2-CG 3.92Å; I317-R324 VanDerWaalsContact O-CZ 3.31Å; I317-R324 PolarHBondContact O-NE 2.95Å; I317-R324 PolarHBondContact O-NH2 2.93Å; I317-W330 HydrophobicContact CD1-CH2 4.15Å; I317-W330 HydrophobicContact CD1-CZ2 3.92Å; I317-W330 HydrophobicContact CG1-CH2 4.06Å; I317-W330 HydrophobicContact CG1-CZ2 3.86Å |
| 318 | K | 95.1 | Very high | 93.8 | Very high | 155 Ų | 155 | 64.1 Ų | 64.1 | 67% | 0.674 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.3 | -52.5 | -180 | -177 | 179.7 | 176.8 | -177.9 | 0 | 110.7 | A314 Y315 I316 R324 | A314-K318 VanDerWaalsContact O-CB 3.28Å; A314-K318 WeakPolarHBondContact O-CB 3.41Å; A314-K318 PolarHBondContact O-N 3.49Å; Y315-K318 PolarHBondContact O-N 3.12Å; I316-K318 PolarHBondContact O-N 3.01Å; K318-R324 PolarHBondContact O-NH2 2.77Å |
| 319 | N | 94.4 | Very high | 93.6 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 35% | 0.348 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -88.6 | -21 | -169.7 | -56.4 | -39.2 | 0 | 0 | 0 | 114.2 | Y315 | Y315-N319 WeakPolarHBondContact CD1-ND2 3.09Å; Y315-N319 WeakPolarHBondContact CD2-ND2 3.21Å; Y315-N319 WeakPolarHBondContact CE1-ND2 3.46Å; Y315-N319 WeakPolarHBondContact CE2-ND2 3.44Å; Y315-N319 PolarHBondContact O-N 2.71Å; Y315-N319 PolarHBondContact O-ND2 2.94Å |
| 320 | Y | 94.1 | Very high | 93.5 | Very high | 47 Ų | 47 | 63.3 Ų | 63.3 | 18% | 0.184 | 33% | 0.332 | C | S | . | . | trans | -129.5 | 86 | -178.1 | -59.7 | -64.4 | 0 | 0 | 0 | 110.8 | P287 Y289 L294 Q297 I316 Y322 Y323 | P287-Y320 HydrophobicContact CB-CD1 3.67Å; P287-Y320 HydrophobicContact CB-CE1 3.84Å; P287-Y320 HydrophobicContact CB-CG 4.23Å; P287-Y320 HydrophobicContact CG-CD1 3.86Å; P287-Y320 HydrophobicContact CG-CD2 4.48Å; P287-Y320 HydrophobicContact CG-CE1 4.41Å; P287-Y320 HydrophobicContact CG-CG 3.9Å; Y289-Y320 HydrophobicContact CD2-CE1 4.33Å; Y289-Y320 AromaticContact CD2-CZ 3.94Å; Y289-Y320 HydrophobicContact CE2-CE1 4.32Å; Y289-Y320 WeakPolarHBondContact CE2-OH 3.25Å; L294-Y320 HydrophobicContact CD2-CD2 3.61Å; L294-Y320 HydrophobicContact CD2-CE2 3.29Å; Q297-Y320 PolarHBondContact OE1-OH 2.89Å; Q297-Y320 VanDerWaalsContact OE1-OH 3.11Å; I316-Y320 WeakPolarHBondContact O-CB 3.37Å; I316-Y320 PolarHBondContact O-N 2.81Å; Y320-Y322 PolarHBondContact O-N 3.48Å; Y320-Y323 PolarHBondContact O-N 2.84Å | ||
| 321 | P | 92.1 | Very high | 93.5 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 25% | 0.247 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -28 | -173.4 | -27.3 | 35.4 | 0 | 0 | 0 | 115.1 | D283 Y323 R324 | D283-P321 HydrophobicContact CB-CG 4.43Å; P321-Y323 PolarHBondContact O-N 2.91Å; P321-Y323 VanDerWaalsContact O-N 3.09Å; P321-R324 VanDerWaalsContact O-CB 3.23Å; P321-R324 WeakPolarHBondContact O-CB 3.37Å; P321-R324 WeakPolarHBondContact O-CG 3.35Å; P321-R324 PolarHBondContact O-N 2.89Å |
| 322 | Y | 92.6 | Very high | 93.5 | Very high | 58 Ų | 58 | 64.2 Ų | 64.2 | 23% | 0.227 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -41.9 | -40 | 169.3 | 172.1 | -102.2 | 0 | 0 | 0 | 114.5 | D283 K284 K286 Y320 R324 C326 | D283-Y322 PolarHBondContact O-N 2.87Å; K284-Y322 WeakPolarHBondContact O-CD2 3.48Å; K286-Y322 HydrophobicContact CB-CD1 4.15Å; K286-Y322 HydrophobicContact CB-CD2 4.35Å; K286-Y322 HydrophobicContact CB-CE1 3.81Å; K286-Y322 HydrophobicContact CB-CE2 4.02Å; K286-Y322 HydrophobicContact CB-CG 4.41Å; K286-Y322 HydrophobicContact CD-CE1 3.97Å; K286-Y322 HydrophobicContact CG-CD1 4.14Å; K286-Y322 HydrophobicContact CG-CE1 3.61Å; Y320-Y322 PolarHBondContact O-N 3.48Å; Y322-R324 VanDerWaalsContact C-N 3.25Å; Y322-R324 PolarHBondContact O-N 3.25Å; Y322-C326 PolarHBondContact O-N 2.79Å |
| 323 | Y | 94 | Very high | 93.4 | Very high | 5 Ų | 5 | 65 Ų | 65 | 2% | 0.02 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -78.8 | -1.8 | -178.1 | -67.8 | -70.7 | 0 | 0 | 0 | 114.6 | P287 Y291 L294 I316 Y320 P321 W330 | P287-Y323 HydrophobicContact CG-CE2 3.7Å; Y291-Y323 HydrophobicContact CE1-CE1 4.16Å; L294-Y323 HydrophobicContact CD1-CE2 3.97Å; I316-Y323 HydrophobicContact CG2-CD2 3.37Å; I316-Y323 HydrophobicContact CG2-CE2 3.86Å; I316-Y323 HydrophobicContact CG2-CG 3.8Å; Y320-Y323 PolarHBondContact O-N 2.84Å; P321-Y323 PolarHBondContact O-N 2.91Å; P321-Y323 VanDerWaalsContact O-N 3.09Å; Y323-W330 HydrophobicContact CD1-CB 4.04Å; Y323-W330 AromaticContact CD1-CD1 3.71Å; Y323-W330 AromaticContact CD1-CD2 3.79Å; Y323-W330 HydrophobicContact CD1-CD2 3.79Å; Y323-W330 HydrophobicContact CD1-CE3 4.38Å; Y323-W330 AromaticContact CD1-CG 3.61Å; Y323-W330 HydrophobicContact CD1-CG 3.61Å; Y323-W330 AromaticContact CD1-NE1 3.98Å; Y323-W330 HydrophobicContact CE1-CB 4.05Å; Y323-W330 HydrophobicContact CE1-CD2 4.48Å; Y323-W330 HydrophobicContact CE1-CG 4.13Å; Y323-W330 HydrophobicContact CG-CD2 4.36Å; Y323-W330 PolarHBondContact O-NE1 3.17Å; Y323-W330 VanDerWaalsContact O-NE1 3.11Å |
| 324 | R | 91.7 | Very high | 93.5 | Very high | 145 Ų | 145 | 63.6 Ų | 63.6 | 55% | 0.547 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -78.6 | -37.8 | 174.2 | -62 | 174.1 | -166.8 | 172.9 | 9 | 112.5 | I317 K318 P321 Y322 | I317-R324 HydrophobicContact CG2-CG 3.92Å; I317-R324 VanDerWaalsContact O-CZ 3.31Å; I317-R324 PolarHBondContact O-NE 2.95Å; I317-R324 PolarHBondContact O-NH2 2.93Å; K318-R324 PolarHBondContact O-NH2 2.77Å; P321-R324 VanDerWaalsContact O-CB 3.23Å; P321-R324 WeakPolarHBondContact O-CB 3.37Å; P321-R324 WeakPolarHBondContact O-CG 3.35Å; P321-R324 PolarHBondContact O-N 2.89Å; Y322-R324 VanDerWaalsContact C-N 3.25Å; Y322-R324 PolarHBondContact O-N 3.25Å |
| 325 | T | 86.5 | Confident | 93.5 | Very high | 133 Ų | 133 | 65.6 Ų | 65.6 | 82% | 0.816 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -101 | -10.2 | -175.2 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 326 | C | 82.5 | Confident | 93.5 | Very high | 42 Ų | 42 | 66.9 Ų | 66.9 | 28% | 0.284 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -84.9 | 147.4 | 175.8 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | Y322 | Y322-C326 PolarHBondContact O-N 2.79Š|
| 327 | D | 87.3 | Confident | 93.5 | Very high | 126 Ų | 126 | 68.2 Ų | 68.2 | 67% | 0.674 | 33% | 0.334 | S | S | * | . | trans | -51.2 | 151.2 | 178.4 | -68.6 | -64.5 | 0 | 0 | 0 | 113.8 | S329 W330 | D327-S329 PolarHBondContact O-N 3.16Å; D327-S329 PolarHBondContact O-OG 2.71Å; D327-W330 PolarHBondContact O-N 2.74Å | ||
| 328 | K | 91.8 | Very high | 93.6 | Very high | 168 Ų | 168 | 65.6 Ų | 65.6 | 73% | 0.73 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 3.2 | 178.8 | -60.8 | 174.8 | -175 | 170.7 | 0 | 113.9 | W330 Q331 | K328-W330 VanDerWaalsContact C-N 3.27Å; K328-W330 PolarHBondContact O-N 2.77Å; K328-Q331 WeakPolarHBondContact O-CB 3.32Å; K328-Q331 PolarHBondContact O-N 2.96Å; K328-Q331 VanDerWaalsContact O-N 3.15Å |
| 329 | S | 92.7 | Very high | 93.6 | Very high | 56 Ų | 56 | 62.7 Ų | 62.7 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.4 | -37.8 | 172.3 | 59 | 0 | 0 | 0 | 0 | 112.4 | D327 Q331 N332 S333 | D327-S329 PolarHBondContact O-N 3.16Å; D327-S329 PolarHBondContact O-OG 2.71Å; S329-Q331 PolarHBondContact O-N 3.36Å; S329-N332 WeakPolarHBondContact O-CA 3.42Å; S329-N332 VanDerWaalsContact O-CB 3.28Å; S329-N332 WeakPolarHBondContact O-CB 3.33Å; S329-N332 PolarHBondContact O-N 3.35Å; S329-S333 PolarHBondContact O-N 3.34Å |
| 330 | W | 95.2 | Very high | 93.6 | Very high | 5 Ų | 5 | 64.4 Ų | 64.4 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.7 | -30.2 | 177.6 | 69.3 | -101.9 | 0 | 0 | 0 | 112.8 | Y291 Y313 I316 I317 Y323 D327 K328 N332 S333 I334 | Y291-W330 HydrophobicContact CE1-CB 4.33Å; Y313-W330 HydrophobicContact CD1-CH2 4.15Å; Y313-W330 AromaticContact CD1-CZ3 3.84Å; Y313-W330 HydrophobicContact CD1-CZ3 3.84Å; Y313-W330 HydrophobicContact CG-CH2 4.4Å; I316-W330 HydrophobicContact CB-CH2 4.44Å; I316-W330 HydrophobicContact CB-CZ3 4.3Å; I316-W330 HydrophobicContact CD1-CZ3 4.29Å; I316-W330 HydrophobicContact CG2-CH2 4.26Å; I316-W330 HydrophobicContact CG2-CZ3 4.04Å; I317-W330 HydrophobicContact CD1-CH2 4.15Å; I317-W330 HydrophobicContact CD1-CZ2 3.92Å; I317-W330 HydrophobicContact CG1-CH2 4.06Å; I317-W330 HydrophobicContact CG1-CZ2 3.86Å; Y323-W330 HydrophobicContact CD1-CB 4.04Å; Y323-W330 AromaticContact CD1-CD1 3.71Å; Y323-W330 AromaticContact CD1-CD2 3.79Å; Y323-W330 HydrophobicContact CD1-CD2 3.79Å; Y323-W330 HydrophobicContact CD1-CE3 4.38Å; Y323-W330 AromaticContact CD1-CG 3.61Å; Y323-W330 HydrophobicContact CD1-CG 3.61Å; Y323-W330 AromaticContact CD1-NE1 3.98Å; Y323-W330 HydrophobicContact CE1-CB 4.05Å; Y323-W330 HydrophobicContact CE1-CD2 4.48Å; Y323-W330 HydrophobicContact CE1-CG 4.13Å; Y323-W330 HydrophobicContact CG-CD2 4.36Å; Y323-W330 PolarHBondContact O-NE1 3.17Å; Y323-W330 VanDerWaalsContact O-NE1 3.11Å; D327-W330 PolarHBondContact O-N 2.74Å; K328-W330 VanDerWaalsContact C-N 3.27Å; K328-W330 PolarHBondContact O-N 2.77Å; W330-N332 PolarHBondContact O-N 3.09Å; W330-S333 WeakPolarHBondContact CA-OG 3.46Å; W330-S333 PolarHBondContact O-N 3.16Å; W330-S333 PolarHBondContact O-OG 3.27Å; W330-I334 HydrophobicContact CE3-CG1 3.92Å; W330-I334 HydrophobicContact CZ3-CG1 4.19Å; W330-I334 WeakPolarHBondContact O-CG1 3.27Å; W330-I334 PolarHBondContact O-N 3.16Å |
| 331 | Q | 96.8 | Very high | 93.6 | Very high | 40 Ų | 40 | 63 Ų | 63 | 19% | 0.187 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.7 | -27.6 | 174.9 | -59.8 | -175.7 | -3.7 | 0 | 0 | 111.7 | Y313 K328 S329 R335 | Y313-Q331 HydrophobicContact CD1-CB 4.3Å; Y313-Q331 HydrophobicContact CD1-CG 4Å; Y313-Q331 HydrophobicContact CE1-CB 3.67Å; Y313-Q331 HydrophobicContact CE1-CG 3.89Å; Y313-Q331 HydrophobicContact CE2-CB 4.48Å; Y313-Q331 HydrophobicContact CG-CG 4.37Å; K328-Q331 WeakPolarHBondContact O-CB 3.32Å; K328-Q331 PolarHBondContact O-N 2.96Å; K328-Q331 VanDerWaalsContact O-N 3.15Å; S329-Q331 PolarHBondContact O-N 3.36Å; Q331-R335 WeakPolarHBondContact O-CG 3.42Å; Q331-R335 PolarHBondContact O-N 3.38Å; Q331-R335 PolarHBondContact O-NH1 3.07Å; Q331-R335 VanDerWaalsContact O-NH1 3.15Å |
| 332 | N | 96.5 | Very high | 93.7 | Very high | 76 Ų | 76 | 70.5 Ų | 70.5 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.8 | -45.7 | 171.7 | -159.2 | 58.4 | 0 | 0 | 0 | 111.4 | S329 W330 I334 R335 H336 | S329-N332 WeakPolarHBondContact O-CA 3.42Å; S329-N332 VanDerWaalsContact O-CB 3.28Å; S329-N332 WeakPolarHBondContact O-CB 3.33Å; S329-N332 PolarHBondContact O-N 3.35Å; W330-N332 PolarHBondContact O-N 3.09Å; N332-I334 PolarHBondContact O-N 2.78Å; N332-R335 PolarHBondContact O-N 3.08Å; N332-R335 VanDerWaalsContact O-N 3.14Å; N332-R335 PolarHBondContact OD1-NH2 2.68Å; N332-H336 WeakPolarHBondContact O-CB 3.39Å; N332-H336 PolarHBondContact O-N 3.11Å |
| 333 | S | 96.7 | Very high | 93.8 | Very high | 17 Ų | 17 | 69.7 Ų | 69.7 | 12% | 0.119 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.5 | -30.9 | 176.3 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | Y291 S329 W330 N337 | Y291-S333 WeakPolarHBondContact CE2-OG 3.29Å; S329-S333 PolarHBondContact O-N 3.34Å; W330-S333 WeakPolarHBondContact CA-OG 3.46Å; W330-S333 PolarHBondContact O-N 3.16Å; W330-S333 PolarHBondContact O-OG 3.27Å; S333-N337 WeakPolarHBondContact O-CB 2.99Å; S333-N337 PolarHBondContact O-N 3.11Å; S333-N337 PolarHBondContact O-ND2 3.11Å |
| 334 | I | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.8 | -49.7 | 171.4 | -69.3 | -70.5 | 0 | 0 | 0 | 111.2 | Y291 I295 L309 I312 Y313 I316 W330 N332 H336 N337 L338 | Y291-I334 HydrophobicContact CD1-CD1 3.98Å; Y291-I334 HydrophobicContact CD1-CG1 4.43Å; Y291-I334 HydrophobicContact CG-CD1 4.4Å; I295-I334 HydrophobicContact CD1-CD1 4.03Å; I295-I334 HydrophobicContact CD1-CG2 4.3Å; I295-I334 HydrophobicContact CG1-CD1 3.83Å; I295-I334 HydrophobicContact CG1-CG2 4.33Å; L309-I334 HydrophobicContact CD1-CG2 4.24Å; I312-I334 HydrophobicContact CG2-CG2 3.95Å; Y313-I334 HydrophobicContact CD1-CG2 4.3Å; Y313-I334 HydrophobicContact CE1-CB 4.16Å; Y313-I334 HydrophobicContact CE1-CG2 3.88Å; I316-I334 HydrophobicContact CD1-CD1 3.5Å; I316-I334 VanDerWaalsContact CD1-CD1 3.5Å; I316-I334 HydrophobicContact CD1-CG1 4.17Å; W330-I334 HydrophobicContact CE3-CG1 3.92Å; W330-I334 HydrophobicContact CZ3-CG1 4.19Å; W330-I334 WeakPolarHBondContact O-CG1 3.27Å; W330-I334 PolarHBondContact O-N 3.16Å; N332-I334 PolarHBondContact O-N 2.78Å; I334-H336 VanDerWaalsContact C-N 3.33Å; I334-H336 PolarHBondContact O-N 2.72Å; I334-N337 PolarHBondContact O-N 2.87Å; I334-L338 HydrophobicContact CG2-CD1 4.18Å; I334-L338 WeakPolarHBondContact O-CG 3.34Å; I334-L338 PolarHBondContact O-N 2.94Å |
| 335 | R | 98 | Very high | 94.1 | Very high | 99 Ų | 99 | 65.5 Ų | 65.5 | 37% | 0.374 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -58 | -45.6 | 176.4 | -69.3 | -176.9 | -59.8 | -95.6 | 13.1 | 111.9 | L309 Y313 Q331 N332 N337 L338 S339 | L309-R335 HydrophobicContact CD1-CG 4.04Å; L309-R335 HydrophobicContact CD2-CG 3.96Å; Y313-R335 WeakPolarHBondContact OH-CG 3.21Å; Y313-R335 PolarHBondContact OH-NH1 2.84Å; Q331-R335 WeakPolarHBondContact O-CG 3.42Å; Q331-R335 PolarHBondContact O-N 3.38Å; Q331-R335 PolarHBondContact O-NH1 3.07Å; Q331-R335 VanDerWaalsContact O-NH1 3.15Å; N332-R335 PolarHBondContact O-N 3.08Å; N332-R335 VanDerWaalsContact O-N 3.14Å; N332-R335 PolarHBondContact OD1-NH2 2.68Å; R335-N337 PolarHBondContact O-N 3.17Å; R335-L338 PolarHBondContact O-N 2.86Å; R335-S339 PolarHBondContact O-N 2.85Å; R335-S339 VanDerWaalsContact O-N 3.14Å; R335-S339 PolarHBondContact O-OG 3.14Å |
| 336 | H | 96.6 | Very high | 94.6 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 33% | 0.333 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 175.2 | 165.4 | 91.2 | 0 | 0 | 0 | 112 | N332 I334 L338 S339 L340 | N332-H336 WeakPolarHBondContact O-CB 3.39Å; N332-H336 PolarHBondContact O-N 3.11Å; I334-H336 VanDerWaalsContact C-N 3.33Å; I334-H336 PolarHBondContact O-N 2.72Å; H336-L338 VanDerWaalsContact C-N 3.35Å; H336-L338 PolarHBondContact O-N 2.83Å; H336-S339 WeakPolarHBondContact CA-OG 3.41Å; H336-S339 PolarHBondContact O-N 2.86Å; H336-S339 PolarHBondContact O-OG 2.85Å; H336-L340 WeakPolarHBondContact NE2-CD1 3.33Å; H336-L340 VanDerWaalsContact O-CB 3.26Å; H336-L340 WeakPolarHBondContact O-CB 3.45Å; H336-L340 PolarHBondContact O-N 2.9Å |
| 337 | N | 97.1 | Very high | 95.1 | Very high | 27 Ų | 27 | 66 Ų | 66 | 14% | 0.144 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 178.6 | -88.2 | -101.8 | 0 | 0 | 0 | 112.7 | I295 S333 I334 R335 S339 L340 N341 F344 | I295-N337 HydrophobicContact CD1-CB 3.78Å; S333-N337 WeakPolarHBondContact O-CB 2.99Å; S333-N337 PolarHBondContact O-N 3.11Å; S333-N337 PolarHBondContact O-ND2 3.11Å; I334-N337 PolarHBondContact O-N 2.87Å; R335-N337 PolarHBondContact O-N 3.17Å; N337-S339 VanDerWaalsContact C-N 3.34Å; N337-L340 PolarHBondContact O-N 2.97Å; N337-N341 PolarHBondContact O-N 3.04Å; N337-N341 PolarHBondContact O-ND2 2.84Å; N337-F344 WeakPolarHBondContact O-CD2 3.38Å |
| 338 | L | 96.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.2 | -36 | 174 | -71.4 | 167.4 | 0 | 0 | 0 | 112.5 | I295 L309 I312 I334 R335 H336 F344 W360 | I295-L338 HydrophobicContact CD1-CD2 4.13Å; I295-L338 HydrophobicContact CD1-CG 4.01Å; I295-L338 HydrophobicContact CG2-CD2 3.68Å; L309-L338 HydrophobicContact CD1-CD1 3.63Å; I312-L338 HydrophobicContact CD1-CD1 4.05Å; I312-L338 HydrophobicContact CD1-CD2 4.14Å; I334-L338 HydrophobicContact CG2-CD1 4.18Å; I334-L338 WeakPolarHBondContact O-CG 3.34Å; I334-L338 PolarHBondContact O-N 2.94Å; R335-L338 PolarHBondContact O-N 2.86Å; H336-L338 VanDerWaalsContact C-N 3.35Å; H336-L338 PolarHBondContact O-N 2.83Å; L338-F344 HydrophobicContact CD2-CB 4.05Å; L338-F344 HydrophobicContact CD2-CD1 4.42Å; L338-F344 HydrophobicContact CD2-CD2 4.11Å; L338-F344 HydrophobicContact CD2-CG 3.95Å; L338-W360 HydrophobicContact CB-CD2 4.32Å; L338-W360 HydrophobicContact CB-CE3 4.17Å; L338-W360 HydrophobicContact CB-CH2 3.93Å; L338-W360 HydrophobicContact CB-CZ2 4.1Å; L338-W360 HydrophobicContact CB-CZ3 3.97Å; L338-W360 HydrophobicContact CD1-CD2 4.23Å; L338-W360 HydrophobicContact CD1-CG 4.36Å; L338-W360 HydrophobicContact CD1-CZ2 4.49Å; L338-W360 HydrophobicContact CD2-CB 4.24Å; L338-W360 HydrophobicContact CD2-CD2 3.87Å; L338-W360 HydrophobicContact CD2-CE3 3.92Å; L338-W360 HydrophobicContact CD2-CG 4.02Å; L338-W360 HydrophobicContact CG-CD2 4.37Å; L338-W360 WeakPolarHBondContact O-CZ3 3.48Å |
| 339 | S | 95.5 | Very high | 95.5 | Very high | 94 Ų | 94 | 59.9 Ų | 59.9 | 66% | 0.657 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -82.7 | -26.3 | 175.9 | 49.4 | 0 | 0 | 0 | 0 | 114.9 | R335 H336 N337 | R335-S339 PolarHBondContact O-N 2.85Å; R335-S339 VanDerWaalsContact O-N 3.14Å; R335-S339 PolarHBondContact O-OG 3.14Å; H336-S339 WeakPolarHBondContact CA-OG 3.41Å; H336-S339 PolarHBondContact O-N 2.86Å; H336-S339 PolarHBondContact O-OG 2.85Å; N337-S339 VanDerWaalsContact C-N 3.34Å |
| 340 | L | 93.6 | Very high | 95.4 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 53% | 0.529 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -79.8 | -40.9 | -176.2 | -178.6 | 153.2 | 0 | 0 | 0 | 112.3 | H336 N337 | H336-L340 WeakPolarHBondContact NE2-CD1 3.33Å; H336-L340 VanDerWaalsContact O-CB 3.26Å; H336-L340 WeakPolarHBondContact O-CB 3.45Å; H336-L340 PolarHBondContact O-N 2.9Å; N337-L340 PolarHBondContact O-N 2.97Å |
| 341 | N | 94.3 | Very high | 95.1 | Very high | 17 Ų | 17 | 69.5 Ų | 69.5 | 9% | 0.091 | 35% | 0.345 | C | S | . | . | trans | -94 | 112.9 | -171.1 | -65.9 | -81.4 | 0 | 0 | 0 | 111.1 | N337 Y343 F344 | N337-N341 PolarHBondContact O-N 3.04Å; N337-N341 PolarHBondContact O-ND2 2.84Å; N341-Y343 HydrophobicContact CB-CD1 4.04Å; N341-Y343 HydrophobicContact CB-CD2 4.29Å; N341-Y343 HydrophobicContact CB-CE1 3.59Å; N341-Y343 HydrophobicContact CB-CE2 3.89Å; N341-Y343 HydrophobicContact CB-CG 4.36Å; N341-Y343 VanDerWaalsContact CB-CZ 3.5Å; N341-Y343 VanDerWaalsContact CG-OH 3.24Å; N341-Y343 PolarHBondContact O-N 3.43Å; N341-Y343 WeakPolarHBondContact OD1-CE1 3.31Å; N341-Y343 PolarHBondContact OD1-OH 2.97Å; N341-F344 HydrophobicContact CB-CD2 3.73Å; N341-F344 HydrophobicContact CB-CE2 3.95Å; N341-F344 PolarHBondContact O-N 3.39Å | ||
| 342 | R | 93.5 | Very high | 94.7 | Very high | 196 Ų | 196 | 74.2 Ų | 74.2 | 74% | 0.74 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -19.9 | -178.7 | -66.9 | -177.1 | -179.5 | 163.2 | 1 | 115.1 | F344 L430 | R342-F344 VanDerWaalsContact C-N 3.33Å; R342-L430 PolarHBondContact NH1-O 3.45Å |
| 343 | Y | 94.9 | Very high | 94.1 | Very high | 41 Ų | 41 | 76.3 Ų | 76.3 | 16% | 0.161 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -6.6 | 178.5 | 54.8 | -101.4 | 0 | 0 | 0 | 114.6 | A292 N341 D363 C366 L370 | A292-Y343 WeakPolarHBondContact CB-OH 3.42Å; N341-Y343 HydrophobicContact CB-CD1 4.04Å; N341-Y343 HydrophobicContact CB-CD2 4.29Å; N341-Y343 HydrophobicContact CB-CE1 3.59Å; N341-Y343 HydrophobicContact CB-CE2 3.89Å; N341-Y343 HydrophobicContact CB-CG 4.36Å; N341-Y343 VanDerWaalsContact CB-CZ 3.5Å; N341-Y343 VanDerWaalsContact CG-OH 3.24Å; N341-Y343 PolarHBondContact O-N 3.43Å; N341-Y343 WeakPolarHBondContact OD1-CE1 3.31Å; N341-Y343 PolarHBondContact OD1-OH 2.97Å; Y343-D363 PolarHBondContact O-N 2.89Å; Y343-C366 WeakPolarHBondContact CB-SG 3.44Å; Y343-L370 HydrophobicContact CD2-CD1 3.43Å; Y343-L370 VanDerWaalsContact CD2-CD1 3.43Å; Y343-L370 HydrophobicContact CD2-CD2 3.99Å; Y343-L370 HydrophobicContact CD2-CG 4.39Å; Y343-L370 HydrophobicContact CE1-CD2 4.5Å; Y343-L370 HydrophobicContact CE2-CD1 4.11Å; Y343-L370 HydrophobicContact CE2-CD2 3.88Å; Y343-L370 HydrophobicContact CG-CD1 3.75Å; Y343-L370 HydrophobicContact CG-CD2 4.34Å |
| 344 | F | 96.2 | Very high | 93.6 | Very high | 9 Ų | 9 | 81.7 Ų | 81.7 | 4% | 0.039 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 104.8 | 166.1 | -63.3 | -50.2 | 0 | 0 | 0 | 109.5 | A292 I295 V296 I299 N337 L338 N341 R342 W360 L362 | A292-F344 HydrophobicContact CB-CE2 4.4Å; A292-F344 HydrophobicContact CB-CZ 4.36Å; I295-F344 HydrophobicContact CB-CE1 3.94Å; I295-F344 HydrophobicContact CB-CE2 4.31Å; I295-F344 HydrophobicContact CB-CZ 3.66Å; I295-F344 HydrophobicContact CD1-CE2 4Å; I295-F344 HydrophobicContact CD1-CZ 4.21Å; I295-F344 HydrophobicContact CG2-CD1 3.78Å; I295-F344 HydrophobicContact CG2-CE1 3.31Å; I295-F344 HydrophobicContact CG2-CE2 4.12Å; I295-F344 HydrophobicContact CG2-CG 4.38Å; I295-F344 HydrophobicContact CG2-CZ 3.5Å; V296-F344 HydrophobicContact CG2-CE1 3.87Å; V296-F344 HydrophobicContact CG2-CZ 4.1Å; I299-F344 HydrophobicContact CD1-CD1 4.13Å; I299-F344 HydrophobicContact CD1-CE1 4.4Å; N337-F344 WeakPolarHBondContact O-CD2 3.38Å; L338-F344 HydrophobicContact CD2-CB 4.05Å; L338-F344 HydrophobicContact CD2-CD1 4.42Å; L338-F344 HydrophobicContact CD2-CD2 4.11Å; L338-F344 HydrophobicContact CD2-CG 3.95Å; N341-F344 HydrophobicContact CB-CD2 3.73Å; N341-F344 HydrophobicContact CB-CE2 3.95Å; N341-F344 PolarHBondContact O-N 3.39Å; R342-F344 VanDerWaalsContact C-N 3.33Å; F344-W360 HydrophobicContact CB-CE3 4.21Å; F344-W360 HydrophobicContact CB-CZ3 4.5Å; F344-L362 HydrophobicContact CD1-CD2 3.85Å; F344-L362 HydrophobicContact CE1-CD2 3.74Å |
| 345 | V | 96 | Very high | 93.2 | Very high | 52 Ų | 52 | 83.4 Ų | 83.4 | 32% | 0.315 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 128.9 | -177.5 | -66.9 | 0 | 0 | 0 | 0 | 110.7 | I347 W360 G361 D363 | V345-I347 HydrophobicContact CG2-CD1 4.32Å; V345-I347 HydrophobicContact CG2-CG1 4.21Å; V345-I347 PolarHBondContact O-N 2.67Å; V345-W360 WeakPolarHBondContact O-CA 3.45Å; V345-G361 PolarHBondContact N-O 3.35Å; V345-G361 PolarHBondContact O-N 2.84Å; V345-D363 HydrophobicContact CG1-CB 4.09Å |
| 346 | K | 96.6 | Very high | 92.8 | Very high | 131 Ų | 131 | 88 Ų | 88 | 57% | 0.57 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 105.1 | 176.4 | -179.5 | -169 | 169.2 | -166.3 | 0 | 109.3 | N358 W360 | K346-N358 WeakPolarHBondContact CE-ND2 3.49Å; K346-N358 VanDerWaalsContact CE-OD1 3.27Å; K346-N358 WeakPolarHBondContact CE-OD1 3.21Å; K346-N358 HydrophobicContact CG-CB 3.9Å; K346-W360 HydrophobicContact CB-CE3 4.15Å; K346-W360 HydrophobicContact CB-CH2 4.09Å; K346-W360 HydrophobicContact CB-CZ3 3.86Å; K346-W360 HydrophobicContact CG-CH2 4.41Å; K346-W360 HydrophobicContact CG-CZ2 4.46Å |
| 347 | I | 94.7 | Very high | 92.6 | Very high | 55 Ų | 55 | 86.8 Ų | 86.8 | 28% | 0.282 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.1 | -177.2 | -61.4 | 168.2 | 0 | 0 | 0 | 109 | Q306 V345 F359 | Q306-I347 HydrophobicContact CB-CD1 4.13Å; V345-I347 HydrophobicContact CG2-CD1 4.32Å; V345-I347 HydrophobicContact CG2-CG1 4.21Å; V345-I347 PolarHBondContact O-N 2.67Å; I347-F359 HydrophobicContact CB-CB 3.95Å; I347-F359 HydrophobicContact CG2-CB 4.31Å; I347-F359 PolarHBondContact N-O 3.46Å; I347-F359 PolarHBondContact O-N 2.83Å |
| 348 | P | 94.4 | Very high | 92.5 | Very high | 98 Ų | 98 | 88.1 Ų | 88.1 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 150.6 | 174.9 | 30.1 | -34.5 | 0 | 0 | 0 | 110.7 | ||
| 349 | R | 93.1 | Very high | 92.5 | Very high | 68 Ų | 68 | 89.8 Ų | 89.8 | 26% | 0.257 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 150.9 | 172.2 | -67.4 | -175.3 | 176.9 | -96.3 | 2.9 | 110.8 | G355 K356 G357 F359 | R349-G355 VanDerWaalsContact CD-O 3.32Å; R349-G355 WeakPolarHBondContact CD-O 3.16Å; R349-G355 VanDerWaalsContact NE-C 3.35Å; R349-G355 PolarHBondContact NE-O 2.86Å; R349-G355 VanDerWaalsContact NE-O 3.09Å; R349-K356 PolarHBondContact NH2-O 3.24Å; R349-G357 WeakPolarHBondContact CD-O 3.38Å; R349-G357 PolarHBondContact NE-O 2.85Å; R349-F359 HydrophobicContact CG-CD2 3.96Å; R349-F359 HydrophobicContact CG-CE2 3.91Å |
| 350 | S | 90.1 | Very high | 92.6 | Very high | 68 Ų | 68 | 87.3 Ų | 87.3 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 150.8 | 162.1 | 54.1 | 0 | 0 | 0 | 0 | 110.4 | N352 E353 | S350-N352 PolarHBondContact O-N 2.91Å; S350-E353 PolarHBondContact O-N 3.09Å |
| 351 | Q | 88.3 | Confident | 92.7 | Very high | 194 Ų | 194 | 82.6 Ų | 82.6 | 91% | 0.907 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.6 | 178.3 | -175.5 | 170.8 | -11.5 | 0 | 0 | 112.8 | E353 | Q351-E353 VanDerWaalsContact C-N 3.32Å; Q351-E353 PolarHBondContact O-N 3.4Å |
| 352 | N | 87.7 | Confident | 92.8 | Very high | 140 Ų | 140 | 82.6 Ų | 82.6 | 75% | 0.749 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -19.8 | -178.4 | -56.8 | 6.2 | 0 | 0 | 0 | 113.1 | S350 P354 | S350-N352 PolarHBondContact O-N 2.91Å; N352-P354 WeakPolarHBondContact O-CD 3.45Å |
| 353 | E | 85.5 | Confident | 92.8 | Very high | 119 Ų | 119 | 75.4 Ų | 75.4 | 56% | 0.556 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -114.2 | 82.4 | -171.5 | -76.6 | -62.3 | 144.3 | 0 | 0 | 111.8 | S350 Q351 G355 | S350-E353 PolarHBondContact O-N 3.09Å; Q351-E353 VanDerWaalsContact C-N 3.32Å; Q351-E353 PolarHBondContact O-N 3.4Å; E353-G355 PolarHBondContact O-N 3.06Å |
| 354 | P | 84.8 | Confident | 92.7 | Very high | 131 Ų | 131 | 78.1 Ų | 78.1 | 85% | 0.851 | 43% | 0.428 | S | S | * | . | trans | -69.1 | 90.3 | -176.8 | 29 | -35.9 | 0 | 0 | 0 | 111.6 | N352 | N352-P354 WeakPolarHBondContact O-CD 3.45Š| ||
| 355 | G | 89.3 | Confident | 92.4 | Very high | 36 Ų | 36 | 83.3 Ų | 83.3 | 37% | 0.371 | 46% | 0.46 | S | S | . | . | trans | -134.3 | 153.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R349 E353 | R349-G355 VanDerWaalsContact CD-O 3.32Å; R349-G355 WeakPolarHBondContact CD-O 3.16Å; R349-G355 VanDerWaalsContact NE-C 3.35Å; R349-G355 PolarHBondContact NE-O 2.86Å; R349-G355 VanDerWaalsContact NE-O 3.09Å; E353-G355 PolarHBondContact O-N 3.06Å | ||
| 356 | K | 90.4 | Very high | 92.1 | Very high | 196 Ų | 196 | 81.6 Ų | 81.6 | 85% | 0.852 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -69.1 | 134.1 | 180 | -171.1 | 170.6 | -176.1 | 170.8 | 0 | 111.6 | R349 | R349-K356 PolarHBondContact NH2-O 3.24Š|
| 357 | G | 92.3 | Very high | 91.9 | Very high | 46 Ų | 46 | 76.6 Ų | 76.6 | 47% | 0.474 | 43% | 0.429 | S | S | . | . | S | Bend | trans | 70.6 | -171.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | R349 | R349-G357 WeakPolarHBondContact CD-O 3.38Å; R349-G357 PolarHBondContact NE-O 2.85Å |
| 358 | N | 95.3 | Very high | 91.7 | Very high | 55 Ų | 55 | 77.4 Ų | 77.4 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | trans | -107.1 | 162.6 | -178.5 | -66.1 | -109.4 | 0 | 0 | 0 | 109.8 | K346 | K346-N358 WeakPolarHBondContact CE-ND2 3.49Å; K346-N358 VanDerWaalsContact CE-OD1 3.27Å; K346-N358 WeakPolarHBondContact CE-OD1 3.21Å; K346-N358 HydrophobicContact CG-CB 3.9Å | ||
| 359 | F | 96.4 | Very high | 91.5 | Very high | 38 Ų | 38 | 78.6 Ų | 78.6 | 17% | 0.167 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 154.5 | 165.1 | -71.9 | -79.1 | 0 | 0 | 0 | 109.9 | Q306 T308 I347 R349 | Q306-F359 HydrophobicContact CB-CB 4.29Å; Q306-F359 HydrophobicContact CB-CD1 4.44Å; Q306-F359 HydrophobicContact CG-CD1 4.05Å; Q306-F359 HydrophobicContact CG-CG 4.41Å; T308-F359 HydrophobicContact CG2-CD1 3.77Å; T308-F359 HydrophobicContact CG2-CE1 3.71Å; T308-F359 HydrophobicContact CG2-CZ 4.43Å; I347-F359 HydrophobicContact CB-CB 3.95Å; I347-F359 HydrophobicContact CG2-CB 4.31Å; I347-F359 PolarHBondContact N-O 3.46Å; I347-F359 PolarHBondContact O-N 2.83Å; R349-F359 HydrophobicContact CG-CD2 3.96Å; R349-F359 HydrophobicContact CG-CE2 3.91Å |
| 360 | W | 97.3 | Very high | 91.4 | Very high | 43 Ų | 43 | 76.1 Ų | 76.1 | 16% | 0.163 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.2 | 171.8 | -67.4 | 92.2 | 0 | 0 | 0 | 108.7 | I299 Q306 L307 I312 L338 F344 V345 K346 | I299-W360 HydrophobicContact CD1-CB 4.38Å; Q306-W360 CarbonylContact C-O 3.6Å; Q306-W360 WeakPolarHBondContact CA-O 3.49Å; L307-W360 PolarHBondContact N-O 2.87Å; L307-W360 PolarHBondContact O-N 2.95Å; I312-W360 HydrophobicContact CD1-CB 4.31Å; L338-W360 HydrophobicContact CB-CD2 4.32Å; L338-W360 HydrophobicContact CB-CE3 4.17Å; L338-W360 HydrophobicContact CB-CH2 3.93Å; L338-W360 HydrophobicContact CB-CZ2 4.1Å; L338-W360 HydrophobicContact CB-CZ3 3.97Å; L338-W360 HydrophobicContact CD1-CD2 4.23Å; L338-W360 HydrophobicContact CD1-CG 4.36Å; L338-W360 HydrophobicContact CD1-CZ2 4.49Å; L338-W360 HydrophobicContact CD2-CB 4.24Å; L338-W360 HydrophobicContact CD2-CD2 3.87Å; L338-W360 HydrophobicContact CD2-CE3 3.92Å; L338-W360 HydrophobicContact CD2-CG 4.02Å; L338-W360 HydrophobicContact CG-CD2 4.37Å; L338-W360 WeakPolarHBondContact O-CZ3 3.48Å; F344-W360 HydrophobicContact CB-CE3 4.21Å; F344-W360 HydrophobicContact CB-CZ3 4.5Å; V345-W360 WeakPolarHBondContact O-CA 3.45Å; K346-W360 HydrophobicContact CB-CE3 4.15Å; K346-W360 HydrophobicContact CB-CH2 4.09Å; K346-W360 HydrophobicContact CB-CZ3 3.86Å; K346-W360 HydrophobicContact CG-CH2 4.41Å; K346-W360 HydrophobicContact CG-CZ2 4.46Å |
| 361 | G | 96 | Very high | 91.4 | Very high | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.01 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | -180 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V345 | V345-G361 PolarHBondContact N-O 3.35Å; V345-G361 PolarHBondContact O-N 2.84Å |
| 362 | L | 95.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.094 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 144.2 | 167.9 | -61.1 | 172.8 | 0 | 0 | 0 | 109.4 | V296 I299 F344 S364 E367 L370 | V296-L362 HydrophobicContact CG1-CD1 4.07Å; V296-L362 HydrophobicContact CG2-CD2 3.98Å; I299-L362 HydrophobicContact CB-CG 4.37Å; I299-L362 HydrophobicContact CD1-CD2 4.2Å; I299-L362 HydrophobicContact CD1-CG 4.46Å; I299-L362 HydrophobicContact CG2-CD1 4.39Å; I299-L362 HydrophobicContact CG2-CG 3.98Å; F344-L362 HydrophobicContact CD1-CD2 3.85Å; F344-L362 HydrophobicContact CE1-CD2 3.74Å; L362-S364 PolarHBondContact O-N 2.8Å; L362-E367 HydrophobicContact CB-CB 4.31Å; L362-E367 HydrophobicContact CB-CG 3.95Å; L362-E367 HydrophobicContact CD1-CG 3.76Å; L362-L370 HydrophobicContact CD2-CD1 4.22Å |
| 363 | D | 94.4 | Very high | 91.6 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 24% | 0.241 | 38% | 0.383 | C | S | . | . | trans | -64.6 | 129.3 | 167.8 | 162.8 | 53.9 | 0 | 0 | 0 | 110.7 | Y343 V345 V365 C366 E367 | Y343-D363 PolarHBondContact O-N 2.89Å; V345-D363 HydrophobicContact CG1-CB 4.09Å; D363-V365 VanDerWaalsContact C-N 3.25Å; D363-V365 PolarHBondContact O-N 2.85Å; D363-C366 PolarHBondContact O-N 2.83Å; D363-C366 PolarHBondContact O-SG 2.89Å; D363-C366 PolarHBondContact OD2-SG 3.49Å; D363-E367 PolarHBondContact O-N 2.97Å | ||
| 364 | S | 91.8 | Very high | 91.8 | Very high | 98 Ų | 98 | 62.8 Ų | 62.8 | 69% | 0.685 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -25.4 | -171.2 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | L362 C366 | L362-S364 PolarHBondContact O-N 2.8Å; S364-C366 VanDerWaalsContact C-N 3.31Å; S364-C366 PolarHBondContact O-N 2.78Å |
| 365 | V | 91 | Very high | 92.1 | Very high | 117 Ų | 117 | 62.6 Ų | 62.6 | 71% | 0.709 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -27.7 | 179.2 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | D363 | D363-V365 VanDerWaalsContact C-N 3.25Å; D363-V365 PolarHBondContact O-N 2.85Å |
| 366 | C | 89.2 | Confident | 92.1 | Very high | 17 Ų | 17 | 67.3 Ų | 67.3 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -9.5 | -177.7 | 59.9 | 0 | 0 | 0 | 0 | 115 | Y343 D363 S364 A368 K369 L370 | Y343-C366 WeakPolarHBondContact CB-SG 3.44Å; D363-C366 PolarHBondContact O-N 2.83Å; D363-C366 PolarHBondContact O-SG 2.89Å; D363-C366 PolarHBondContact OD2-SG 3.49Å; S364-C366 VanDerWaalsContact C-N 3.31Å; S364-C366 PolarHBondContact O-N 2.78Å; C366-A368 PolarHBondContact O-N 3.43Å; C366-K369 PolarHBondContact O-N 2.82Å; C366-K369 VanDerWaalsContact O-N 3.07Å; C366-L370 HydrophobicContact CB-CD1 4.25Å; C366-L370 HydrophobicContact CB-CG 4.45Å; C366-L370 WeakPolarHBondContact O-CG 3.25Å; C366-L370 PolarHBondContact O-N 3.09Å |
| 367 | E | 92 | Very high | 91.8 | Very high | 26 Ų | 26 | 64.2 Ų | 64.2 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -43.2 | -55.8 | -179 | -165.9 | -151.7 | 143.7 | 0 | 0 | 113.5 | K305 L362 D363 K369 L370 M371 | K305-E367 WeakPolarHBondContact CD-OE1 3.46Å; K305-E367 WeakPolarHBondContact CE-OE1 3.36Å; K305-E367 IonicContact NZ-OE1 3.59Å; K305-E367 PolarHBondContact NZ-OE1 3.49Å; K305-E367 IonicContact NZ-OE2 2.71Å; K305-E367 PolarHBondContact NZ-OE2 2.8Å; L362-E367 HydrophobicContact CB-CB 4.31Å; L362-E367 HydrophobicContact CB-CG 3.95Å; L362-E367 HydrophobicContact CD1-CG 3.76Å; D363-E367 PolarHBondContact O-N 2.97Å; E367-K369 VanDerWaalsContact C-N 3.32Å; E367-K369 PolarHBondContact O-N 3.37Å; E367-L370 PolarHBondContact O-N 2.6Å; E367-L370 VanDerWaalsContact O-N 3.15Å; E367-M371 HydrophobicContact CG-CE 4.03Å; E367-M371 WeakPolarHBondContact O-CG 3.34Å; E367-M371 PolarHBondContact O-N 3.4Å; E367-M371 WeakPolarHBondContact OE1-CE 3.06Å |
| 368 | A | 91.6 | Very high | 90.9 | Very high | 72 Ų | 72 | 69.6 Ų | 69.6 | 60% | 0.595 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59.8 | -39.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | C366 E372 | C366-A368 PolarHBondContact O-N 3.43Å; A368-E372 PolarHBondContact O-N 2.79Å |
| 369 | K | 89.9 | Confident | 89.7 | Confident | 123 Ų | 123 | 77.8 Ų | 77.8 | 54% | 0.535 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.9 | -45.5 | 176.5 | -63.9 | 177 | -177.7 | 172.7 | 0 | 110.3 | C366 E367 M371 E372 F373 | C366-K369 PolarHBondContact O-N 2.82Å; C366-K369 VanDerWaalsContact O-N 3.07Å; E367-K369 VanDerWaalsContact C-N 3.32Å; E367-K369 PolarHBondContact O-N 3.37Å; K369-M371 VanDerWaalsContact C-N 3.3Å; K369-M371 PolarHBondContact O-N 2.79Å; K369-E372 WeakPolarHBondContact O-CB 3.4Å; K369-E372 PolarHBondContact O-N 2.7Å; K369-E372 VanDerWaalsContact O-N 3.11Å; K369-F373 WeakPolarHBondContact O-CD2 3.36Å; K369-F373 PolarHBondContact O-N 2.81Å |
| 370 | L | 90 | Very high | 87.8 | Confident | 16 Ų | 16 | 79.4 Ų | 79.4 | 8% | 0.084 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 179 | -69.9 | 171.2 | 0 | 0 | 0 | 111.6 | V296 Y343 L362 C366 E367 F373 A374 | V296-L370 HydrophobicContact CG1-CB 4.07Å; V296-L370 HydrophobicContact CG2-CB 4.15Å; Y343-L370 HydrophobicContact CD2-CD1 3.43Å; Y343-L370 VanDerWaalsContact CD2-CD1 3.43Å; Y343-L370 HydrophobicContact CD2-CD2 3.99Å; Y343-L370 HydrophobicContact CD2-CG 4.39Å; Y343-L370 HydrophobicContact CE1-CD2 4.5Å; Y343-L370 HydrophobicContact CE2-CD1 4.11Å; Y343-L370 HydrophobicContact CE2-CD2 3.88Å; Y343-L370 HydrophobicContact CG-CD1 3.75Å; Y343-L370 HydrophobicContact CG-CD2 4.34Å; L362-L370 HydrophobicContact CD2-CD1 4.22Å; C366-L370 HydrophobicContact CB-CD1 4.25Å; C366-L370 HydrophobicContact CB-CG 4.45Å; C366-L370 WeakPolarHBondContact O-CG 3.25Å; C366-L370 PolarHBondContact O-N 3.09Å; E367-L370 PolarHBondContact O-N 2.6Å; E367-L370 VanDerWaalsContact O-N 3.15Å; L370-F373 CarbonylContact O-C 3.59Å; L370-F373 PolarHBondContact O-N 2.97Å; L370-A374 WeakPolarHBondContact O-CB 3.46Å; L370-A374 PolarHBondContact O-N 2.83Å |
| 371 | M | 90.3 | Very high | 85.7 | Confident | 66 Ų | 66 | 88.7 Ų | 88.7 | 33% | 0.325 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 173.8 | -71 | -168.5 | -67.8 | 0 | 0 | 112.5 | V296 S300 E367 K369 F373 A374 | V296-M371 HydrophobicContact CG1-CG 4.49Å; S300-M371 VanDerWaalsContact OG-CG 3.27Å; S300-M371 WeakPolarHBondContact OG-CG 3.49Å; S300-M371 PolarHBondContact OG-SD 3.2Å; E367-M371 HydrophobicContact CG-CE 4.03Å; E367-M371 WeakPolarHBondContact O-CG 3.34Å; E367-M371 PolarHBondContact O-N 3.4Å; E367-M371 WeakPolarHBondContact OE1-CE 3.06Å; K369-M371 VanDerWaalsContact C-N 3.3Å; K369-M371 PolarHBondContact O-N 2.79Å; M371-F373 VanDerWaalsContact C-N 3.33Å; M371-F373 PolarHBondContact O-N 3.26Å; M371-A374 VanDerWaalsContact O-CB 3.29Å; M371-A374 WeakPolarHBondContact O-CB 3.27Å; M371-A374 PolarHBondContact O-N 2.88Å |
| 372 | E | 89.8 | Confident | 82.8 | Confident | 108 Ų | 108 | 97 Ų | 97 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 175.1 | -157 | -157.4 | 150.2 | 0 | 0 | 112.5 | A368 K369 R376 | A368-E372 PolarHBondContact O-N 2.79Å; K369-E372 WeakPolarHBondContact O-CB 3.4Å; K369-E372 PolarHBondContact O-N 2.7Å; K369-E372 VanDerWaalsContact O-N 3.11Å; E372-R376 WeakPolarHBondContact O-CG 3.49Å; E372-R376 IonicContact OE1-CZ 2.72Å; E372-R376 IonicContact OE1-NE 2.76Å; E372-R376 IonicContact OE1-NH2 3.79Å; E372-R376 PolarHBondContact OE1-NH2 2.77Å |
| 373 | F | 90.1 | Very high | 80.3 | Confident | 66 Ų | 66 | 101.5 Ų | 101.5 | 29% | 0.289 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -79.9 | -16 | 175 | -69.3 | -71 | 0 | 0 | 0 | 114 | Q293 K369 L370 M371 F375 R376 | Q293-F373 PolarHBondContact NE2-O 2.73Å; K369-F373 WeakPolarHBondContact O-CD2 3.36Å; K369-F373 PolarHBondContact O-N 2.81Å; L370-F373 CarbonylContact O-C 3.59Å; L370-F373 PolarHBondContact O-N 2.97Å; M371-F373 VanDerWaalsContact C-N 3.33Å; M371-F373 PolarHBondContact O-N 3.26Å; F373-F375 VanDerWaalsContact C-N 3.35Å; F373-F375 PolarHBondContact O-N 3.34Å; F373-R376 PolarHBondContact O-N 2.88Å |
| 374 | A | 90.6 | Very high | 77.9 | Confident | 1 Ų | 1 | 103.8 Ų | 103.8 | 1% | 0.008 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -62 | -38.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | V296 Q297 L370 M371 | V296-A374 HydrophobicContact CB-CB 4.17Å; V296-A374 HydrophobicContact CG1-CB 3.73Å; Q297-A374 HydrophobicContact CG-CB 4Å; Q297-A374 PolarHBondContact NE2-O 3.42Å; L370-A374 WeakPolarHBondContact O-CB 3.46Å; L370-A374 PolarHBondContact O-N 2.83Å; M371-A374 VanDerWaalsContact O-CB 3.29Å; M371-A374 WeakPolarHBondContact O-CB 3.27Å; M371-A374 PolarHBondContact O-N 2.88Å |
| 375 | F | 90.6 | Very high | 74.9 | Confident | 127 Ų | 127 | 104.8 Ų | 104.8 | 56% | 0.557 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -2.8 | -178.4 | -60.2 | -79.1 | 0 | 0 | 0 | 113.8 | Y289 Q297 F373 Q377 | Y289-F375 WeakPolarHBondContact CE1-O 3.5Å; Q297-F375 HydrophobicContact CG-CD1 4.41Å; Q297-F375 HydrophobicContact CG-CE1 3.97Å; Q297-F375 HydrophobicContact CG-CZ 4.13Å; F373-F375 VanDerWaalsContact C-N 3.35Å; F373-F375 PolarHBondContact O-N 3.34Å; F375-Q377 PolarHBondContact O-N 2.88Å |
| 376 | R | 88.8 | Confident | 72.1 | Confident | 134 Ų | 134 | 105.4 Ų | 105.4 | 51% | 0.506 | 53% | 0.534 | S | S | . | . | trans | -73.1 | 101.4 | 175.2 | -72.5 | 177.9 | 177.6 | -138.2 | 3.1 | 109.9 | Q293 E372 F373 R378 | Q293-R376 PolarHBondContact NE2-O 3.42Å; E372-R376 WeakPolarHBondContact O-CG 3.49Å; E372-R376 IonicContact OE1-CZ 2.72Å; E372-R376 IonicContact OE1-NE 2.76Å; E372-R376 IonicContact OE1-NH2 3.79Å; E372-R376 PolarHBondContact OE1-NH2 2.77Å; F373-R376 PolarHBondContact O-N 2.88Å; R376-R378 PolarHBondContact O-N 2.86Å | ||
| 377 | Q | 84.6 | Confident | 69.6 | Low | 131 Ų | 131 | 108.9 Ų | 108.9 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 134.8 | 175.7 | -60.8 | -170.5 | 9.7 | 0 | 0 | 110.6 | P288 Y289 F375 R379 | P288-Q377 HydrophobicContact CB-CB 4.21Å; P288-Q377 HydrophobicContact CB-CG 4.44Å; P288-Q377 HydrophobicContact CG-CB 4.11Å; P288-Q377 HydrophobicContact CG-CG 3.8Å; Y289-Q377 HydrophobicContact CE1-CB 4.39Å; Y289-Q377 HydrophobicContact CE1-CG 3.83Å; F375-Q377 PolarHBondContact O-N 2.88Å; Q377-R379 PolarHBondContact O-N 2.89Å |
| 378 | R | 74.5 | Confident | 66.9 | Low | 159 Ų | 159 | 113.8 Ų | 113.8 | 60% | 0.6 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 119.5 | 173 | -74.5 | -174.3 | 165.5 | -167.6 | -4.7 | 108.6 | P288 S290 R376 G380 | P288-R378 PolarHBondContact O-N 2.88Å; S290-R378 VanDerWaalsContact CB-CZ 3.42Å; R376-R378 PolarHBondContact O-N 2.86Å; R378-G380 PolarHBondContact O-N 2.92Å; R378-G380 VanDerWaalsContact O-N 3.09Å |
| 379 | R | 69.5 | Low | 64.2 | Low | 227 Ų | 227 | 119.5 Ų | 119.5 | 86% | 0.857 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 121.7 | 166.4 | -68.1 | -176 | -177.5 | 175.4 | 2.5 | 107.6 | Q377 R381 | Q377-R379 PolarHBondContact O-N 2.89Å; R379-R381 PolarHBondContact O-N 2.77Å; R379-R381 VanDerWaalsContact O-N 3.1Å |
| 380 | G | 56.9 | Low | 61.9 | Low | 72 Ų | 72 | 122.4 Ų | 122.4 | 74% | 0.742 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 121.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | R378 H382 | R378-G380 PolarHBondContact O-N 2.92Å; R378-G380 VanDerWaalsContact O-N 3.09Å; G380-H382 PolarHBondContact O-N 3.11Å |
| 381 | R | 52.4 | Low | 59.5 | Low | 239 Ų | 239 | 132 Ų | 132 | 90% | 0.902 | 67% | 0.667 | S | S | * | * | trans | -61.6 | 112.2 | 171.5 | -72.8 | -173.2 | 179.8 | -174.1 | -0.4 | 106 | R379 P383 | R379-R381 PolarHBondContact O-N 2.77Å; R379-R381 VanDerWaalsContact O-N 3.1Å; R381-P383 VanDerWaalsContact O-N 3.15Å | ||
| 382 | H | 35.2 | Very low | 56.9 | Low | 176 Ų | 176 | 133.9 Ų | 133.9 | 82% | 0.815 | 69% | 0.693 | S | S | * | * | trans | -50.4 | 123.1 | -178.4 | -135.5 | -87 | 0 | 0 | 0 | 107.9 | G380 S384 | G380-H382 PolarHBondContact O-N 3.11Å; H382-S384 PolarHBondContact O-N 3.2Å | ||
| 383 | P | 42.5 | Very low | 54.3 | Low | 112 Ų | 112 | 133.3 Ų | 133.3 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | -60.4 | 117.5 | -178.9 | 23.7 | -32.2 | 0 | 0 | 0 | 107.8 | R381 C385 | R381-P383 VanDerWaalsContact O-N 3.15Å; P383-C385 PolarHBondContact O-N 3.28Å | ||
| 384 | S | 43.9 | Very low | 52 | Low | 93 Ų | 93 | 136.4 Ų | 136.4 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | trans | -73.2 | 99.9 | -171.2 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | H382 C386 | H382-S384 PolarHBondContact O-N 3.2Å; S384-C386 PolarHBondContact O-N 3.01Å | ||
| 385 | C | 30.4 | Very low | 49.6 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 52.1 | -14 | 159.3 | 50.7 | 0 | 0 | 0 | 0 | 121 | P383 A387 | P383-C385 PolarHBondContact O-N 3.28Å; C385-A387 VanDerWaalsContact C-N 3.28Å; C385-A387 PolarHBondContact O-N 3.09Å |
| 386 | C | 31.7 | Very low | 46.7 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -82.6 | 61.4 | -178.6 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | S384 | S384-C386 PolarHBondContact O-N 3.01Š| ||
| 387 | A | 35.9 | Very low | 44.2 | Very low | 90 Ų | 90 | 142.9 Ų | 142.9 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | -148.4 | 16.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | C385 | C385-A387 VanDerWaalsContact C-N 3.28Å; C385-A387 PolarHBondContact O-N 3.09Å | ||
| 388 | T | 35.9 | Very low | 42.1 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -140.1 | 41.5 | -175.5 | -26.6 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 389 | E | 35.1 | Very low | 40.2 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -105.6 | 68.5 | 169 | -72.4 | -167.2 | 156.4 | 0 | 0 | 112 | ||||
| 390 | Q | 42.3 | Very low | 38.8 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -166.9 | 135.8 | 160.9 | -106.3 | 154.5 | 32.3 | 0 | 0 | 109.1 | ||
| 391 | K | 38.5 | Very low | 37.9 | Very low | 217 Ų | 217 | 143.3 Ų | 143.3 | 94% | 0.943 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 70.9 | 65.4 | -175.2 | -53.4 | -177.6 | 178.7 | -177.7 | 0 | 116.7 | ||
| 392 | A | 35 | Very low | 37 | Very low | 106 Ų | 106 | 138 Ų | 138 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | -148 | 48.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 393 | A | 36.2 | Very low | 37.2 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -127.9 | 48.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 394 | T | 41.8 | Very low | 36.8 | Very low | 130 Ų | 130 | 136.2 Ų | 136.2 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -165.9 | 129.1 | 167.4 | 28.4 | 0 | 0 | 0 | 0 | 109 | ||
| 395 | N | 39.1 | Very low | 36.7 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | trans | 50.7 | 134.1 | 171.6 | -64.5 | -9 | 0 | 0 | 0 | 116.9 | ||||
| 396 | C | 31 | Very low | 36.9 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 74% | 0.743 | 83% | 0.829 | S | S | * | * | cis | -155.5 | 143.2 | 40.2 | -172.9 | 0 | 0 | 0 | 0 | 112 | S398 | C396-S398 PolarHBondContact O-N 2.94Š| ||
| 397 | S | 34.9 | Very low | 37 | Very low | 121 Ų | 121 | 144 Ų | 144 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | trans | -79.4 | 113.6 | 169.5 | -62.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 398 | S | 42.4 | Very low | 36.6 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 80% | 0.797 | 83% | 0.83 | S | S | * | * | trans | -151.8 | 102.1 | 166.6 | -80.2 | 0 | 0 | 0 | 0 | 112 | C396 | C396-S398 PolarHBondContact O-N 2.94Š| ||
| 399 | R | 34.2 | Very low | 36.6 | Very low | 234 Ų | 234 | 145.9 Ų | 145.9 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -78.9 | 127.6 | 170.5 | 165.4 | -151.4 | -76.7 | -174 | -5.8 | 108.9 | ||||
| 400 | T | 38.7 | Very low | 36.7 | Very low | 115 Ų | 115 | 147.8 Ų | 147.8 | 71% | 0.706 | 83% | 0.831 | S | S | * | * | 179.3 | 134.1 | 126.9 | 30.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 401 | T | 39.7 | Very low | 36.7 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | 58.1 | 139.2 | 143.7 | 56.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 402 | V | 33.6 | Very low | 36.7 | Very low | 127 Ų | 127 | 139 Ų | 139 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | -85.8 | 143.1 | 173.6 | -71.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 403 | A | 39 | Very low | 36.9 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -161.2 | 138.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 404 | N | 34.6 | Very low | 37.3 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -11.5 | 123.9 | 170.4 | -55.6 | -6.8 | 0 | 0 | 0 | 120.2 | ||||
| 405 | V | 40.9 | Very low | 37.4 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | trans | -138.9 | 71.7 | 138.8 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | H407 | V405-H407 PolarHBondContact O-N 3.06Š| ||
| 406 | E | 34.4 | Very low | 37.7 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | -91.3 | 80.8 | 170.9 | -72.8 | -160.3 | 142.9 | 0 | 0 | 111.4 | ||||
| 407 | H | 32.8 | Very low | 38.4 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -157.7 | 158.7 | 159.8 | -131.8 | -95.9 | 0 | 0 | 0 | 113.2 | V405 | V405-H407 PolarHBondContact O-N 3.06Š| ||
| 408 | C | 29.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 82% | 0.824 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 77.8 | 42.4 | 167.1 | -145.6 | 0 | 0 | 0 | 0 | 119.6 | ||
| 409 | T | 36.3 | Very low | 38.5 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 85% | 0.847 | 73% | 0.725 | S | S | * | * | trans | -131.2 | 26 | 170 | 52.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 410 | R | 37 | Very low | 38.7 | Very low | 233 Ų | 233 | 125.8 Ų | 125.8 | 88% | 0.879 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -113.3 | 0.1 | -174.3 | -111.3 | 176.4 | 74.7 | 160.5 | 0.4 | 118.8 | ||
| 411 | T | 40.7 | Very low | 38.9 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -113.4 | -11.4 | -174.3 | -30 | 0 | 0 | 0 | 0 | 114.5 | ||
| 412 | A | 38.6 | Very low | 39.1 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 65% | 0.653 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -89.3 | -29.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N414 | A412-N414 PolarHBondContact O-N 3.46Š|
| 413 | A | 40.5 | Very low | 39.6 | Very low | 57 Ų | 57 | 122 Ų | 122 | 47% | 0.471 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | -40.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K415 T416 | A413-K415 VanDerWaalsContact C-N 3.27Å; A413-K415 PolarHBondContact O-N 2.94Å; A413-T416 PolarHBondContact O-N 3.29Å |
| 414 | N | 43.3 | Very low | 40.1 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 64% | 0.642 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.9 | -28.9 | -170.2 | -62.4 | 8 | 0 | 0 | 0 | 113 | A412 T416 | A412-N414 PolarHBondContact O-N 3.46Å; N414-T416 VanDerWaalsContact C-N 3.28Å; N414-T416 PolarHBondContact O-N 3.07Å |
| 415 | K | 44.7 | Very low | 40.3 | Very low | 181 Ų | 181 | 117.4 Ų | 117.4 | 79% | 0.787 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.7 | -19.3 | 177.8 | -67.8 | -174.3 | 177.3 | -178.1 | 0 | 113.4 | A413 | A413-K415 VanDerWaalsContact C-N 3.27Å; A413-K415 PolarHBondContact O-N 2.94Å |
| 416 | T | 45.7 | Very low | 40.7 | Very low | 85 Ų | 85 | 114.5 Ų | 114.5 | 52% | 0.521 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -86.3 | -33.4 | 179 | -49.8 | 0 | 0 | 0 | 0 | 111.8 | A413 N414 L420 | A413-T416 PolarHBondContact O-N 3.29Å; N414-T416 VanDerWaalsContact C-N 3.28Å; N414-T416 PolarHBondContact O-N 3.07Å; T416-L420 HydrophobicContact CG2-CD1 4.28Å; T416-L420 WeakPolarHBondContact O-CG 3.39Å; T416-L420 PolarHBondContact O-N 2.8Å |
| 417 | V | 45.2 | Very low | 41.4 | Very low | 69 Ų | 69 | 112 Ų | 112 | 42% | 0.418 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.6 | -42.9 | 179.1 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | S419 L420 R421 | V417-S419 PolarHBondContact O-N 3.07Å; V417-L420 PolarHBondContact O-N 3.22Å; V417-L420 VanDerWaalsContact O-N 3.14Å; V417-R421 HydrophobicContact CG1-CG 4.47Å; V417-R421 WeakPolarHBondContact O-CG 3.49Å; V417-R421 PolarHBondContact O-N 3.47Å |
| 418 | E | 38.6 | Very low | 41.6 | Very low | 113 Ų | 113 | 107.7 Ų | 107.7 | 53% | 0.528 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.5 | -41.9 | 179.9 | -128.2 | 53.8 | -146.5 | 0 | 0 | 112.6 | L420 R421 S422 | E418-L420 PolarHBondContact O-N 3.2Å; E418-R421 PolarHBondContact O-N 3.11Å; E418-R421 IonicContact OE1-NH1 2.87Å; E418-R421 IonicContact OE2-NH1 3.85Å; E418-R421 PolarHBondContact OE2-NH1 3.03Å; E418-S422 PolarHBondContact O-N 2.82Å |
| 419 | S | 39.9 | Very low | 42.3 | Very low | 69 Ų | 69 | 110.8 Ų | 110.8 | 48% | 0.483 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.8 | -9.4 | 178.1 | -172.7 | 0 | 0 | 0 | 0 | 114.5 | V417 S422 | V417-S419 PolarHBondContact O-N 3.07Å; S419-S422 PolarHBondContact O-OG 3.26Å |
| 420 | L | 40.4 | Very low | 42.4 | Very low | 108 Ų | 108 | 107.7 Ų | 107.7 | 57% | 0.565 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -100.8 | -24.4 | 173.6 | -70.8 | 170.4 | 0 | 0 | 0 | 111.8 | T416 V417 E418 | T416-L420 HydrophobicContact CG2-CD1 4.28Å; T416-L420 WeakPolarHBondContact O-CG 3.39Å; T416-L420 PolarHBondContact O-N 2.8Å; V417-L420 PolarHBondContact O-N 3.22Å; V417-L420 VanDerWaalsContact O-N 3.14Å; E418-L420 PolarHBondContact O-N 3.2Å |
| 421 | R | 41 | Very low | 42.5 | Very low | 147 Ų | 147 | 101.6 Ų | 101.6 | 56% | 0.555 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65 | -40.9 | 171.5 | -77.2 | 170.4 | 166.1 | 165.9 | -7.7 | 112 | V417 E418 D423 V424 D425 | V417-R421 HydrophobicContact CG1-CG 4.47Å; V417-R421 WeakPolarHBondContact O-CG 3.49Å; V417-R421 PolarHBondContact O-N 3.47Å; E418-R421 PolarHBondContact O-N 3.11Å; E418-R421 IonicContact OE1-NH1 2.87Å; E418-R421 IonicContact OE2-NH1 3.85Å; E418-R421 PolarHBondContact OE2-NH1 3.03Å; R421-D423 VanDerWaalsContact C-N 3.28Å; R421-D423 PolarHBondContact O-N 2.81Å; R421-V424 PolarHBondContact O-N 3.45Å; R421-D425 WeakPolarHBondContact O-CB 3.36Å; R421-D425 PolarHBondContact O-N 2.89Å |
| 422 | S | 44.7 | Very low | 42.5 | Very low | 51 Ų | 51 | 100.5 Ų | 100.5 | 36% | 0.357 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -57.9 | -37.4 | 178.9 | 54.1 | 0 | 0 | 0 | 0 | 113.7 | E418 S419 V424 L426 | E418-S422 PolarHBondContact O-N 2.82Å; S419-S422 PolarHBondContact O-OG 3.26Å; S422-V424 VanDerWaalsContact C-N 3.34Å; S422-L426 PolarHBondContact O-N 3.43Å |
| 423 | D | 43.8 | Very low | 42.3 | Very low | 100 Ų | 100 | 104.4 Ų | 104.4 | 54% | 0.535 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.3 | -29.3 | -178.8 | -75.5 | 9.4 | 0 | 0 | 0 | 112.3 | R421 | R421-D423 VanDerWaalsContact C-N 3.28Å; R421-D423 PolarHBondContact O-N 2.81Å |
| 424 | V | 49.5 | Very low | 42.3 | Very low | 89 Ų | 89 | 110.8 Ų | 110.8 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -90.3 | -41.7 | -178.5 | 180 | 0 | 0 | 0 | 0 | 111.8 | R421 S422 L426 Q427 C428 | R421-V424 PolarHBondContact O-N 3.45Å; S422-V424 VanDerWaalsContact C-N 3.34Å; V424-L426 PolarHBondContact O-N 3.26Å; V424-Q427 PolarHBondContact O-N 2.56Å; V424-C428 PolarHBondContact O-N 3.18Å |
| 425 | D | 39.9 | Very low | 41.9 | Very low | 65 Ų | 65 | 109.4 Ų | 109.4 | 35% | 0.348 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.3 | -25.8 | -179.6 | -162.2 | 18.7 | 0 | 0 | 0 | 111.9 | R421 Q427 C428 R429 | R421-D425 WeakPolarHBondContact O-CB 3.36Å; R421-D425 PolarHBondContact O-N 2.89Å; D425-Q427 VanDerWaalsContact C-N 3.32Å; D425-Q427 PolarHBondContact O-N 2.99Å; D425-C428 PolarHBondContact O-N 3.5Å; D425-R429 PolarHBondContact O-N 3.28Å; D425-R429 VanDerWaalsContact O-N 3.11Å; D425-R429 WeakPolarHBondContact OD1-CG 3.28Å; D425-R429 IonicContact OD1-CZ 2.72Å; D425-R429 IonicContact OD1-NE 3.52Å; D425-R429 PolarHBondContact OD1-NE 3.06Å; D425-R429 IonicContact OD1-NH2 3.24Å; D425-R429 IonicContact OD2-CZ 3.93Å; D425-R429 IonicContact OD2-NE 2.63Å; D425-R429 PolarHBondContact OD2-NE 2.89Å; D425-R429 IonicContact OD2-NH2 2.73Å; D425-R429 PolarHBondContact OD2-NH2 3.14Å |
| 426 | L | 48.9 | Very low | 41.4 | Very low | 80 Ų | 80 | 105.4 Ų | 105.4 | 42% | 0.419 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.9 | -29.1 | 171.6 | -128.2 | 75.8 | 0 | 0 | 0 | 113.8 | S422 V424 | S422-L426 PolarHBondContact O-N 3.43Å; V424-L426 PolarHBondContact O-N 3.26Å |
| 427 | Q | 48.5 | Very low | 41.1 | Very low | 134 Ų | 134 | 110.1 Ų | 110.1 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -80.7 | -33.3 | 171.1 | -100.2 | 108.5 | 38.4 | 0 | 0 | 112.1 | V424 D425 | V424-Q427 PolarHBondContact O-N 2.56Å; D425-Q427 VanDerWaalsContact C-N 3.32Å; D425-Q427 PolarHBondContact O-N 2.99Å |
| 428 | C | 37.4 | Very low | 40.4 | Very low | 85 Ų | 85 | 112.6 Ų | 112.6 | 57% | 0.574 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -77 | -30.4 | -174.5 | -65.9 | 0 | 0 | 0 | 0 | 114.2 | V424 D425 | V424-C428 PolarHBondContact O-N 3.18Å; D425-C428 PolarHBondContact O-N 3.5Å |
| 429 | R | 42.7 | Very low | 40.4 | Very low | 188 Ų | 188 | 115.5 Ų | 115.5 | 71% | 0.709 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 2.5 | -175.5 | -63.4 | -170.1 | -167.6 | -147.8 | 12 | 115.9 | D425 | D425-R429 PolarHBondContact O-N 3.28Å; D425-R429 VanDerWaalsContact O-N 3.11Å; D425-R429 WeakPolarHBondContact OD1-CG 3.28Å; D425-R429 IonicContact OD1-CZ 2.72Å; D425-R429 IonicContact OD1-NE 3.52Å; D425-R429 PolarHBondContact OD1-NE 3.06Å; D425-R429 IonicContact OD1-NH2 3.24Å; D425-R429 IonicContact OD2-CZ 3.93Å; D425-R429 IonicContact OD2-NE 2.63Å; D425-R429 PolarHBondContact OD2-NE 2.89Å; D425-R429 IonicContact OD2-NH2 2.73Å; D425-R429 PolarHBondContact OD2-NH2 3.14Å |
| 430 | L | 38.7 | Very low | 40.1 | Very low | 72 Ų | 72 | 121.6 Ų | 121.6 | 38% | 0.377 | 65% | 0.65 | S | S | . | * | trans | -105.8 | 53.8 | -177.4 | -64.1 | 178.7 | 0 | 0 | 0 | 112.7 | R342 | R342-L430 PolarHBondContact NH1-O 3.45Š| ||
| 431 | T | 38.9 | Very low | 39.9 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 65% | 0.65 | 66% | 0.657 | S | S | * | * | trans | -118.1 | 99.2 | 163.5 | 51 | 0 | 0 | 0 | 0 | 108.9 | D433 | T431-D433 PolarHBondContact O-N 3.35Š| ||
| 432 | P | 42.7 | Very low | 39.6 | Very low | 113 Ų | 113 | 120.1 Ų | 120.1 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | trans | -70.6 | 120.7 | 175.3 | 28.5 | -32.5 | 0 | 0 | 0 | 109.6 | K434 | P432-K434 PolarHBondContact O-N 3Š| ||
| 433 | D | 32.9 | Very low | 39.4 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 86% | 0.856 | 68% | 0.679 | S | S | * | * | trans | -66.6 | 112.6 | 174 | -170.4 | -8.3 | 0 | 0 | 0 | 109.5 | T431 | T431-D433 PolarHBondContact O-N 3.35Š| ||
| 434 | K | 40.6 | Very low | 38.9 | Very low | 192 Ų | 192 | 126.9 Ų | 126.9 | 84% | 0.835 | 70% | 0.695 | S | S | * | * | trans | -111.8 | 83.1 | 178.1 | -89.8 | -158.9 | 170.3 | -169.1 | 0 | 111 | P432 | P432-K434 PolarHBondContact O-N 3Š| ||
| 435 | A | 36.2 | Very low | 38.4 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | trans | 44.3 | 109 | 139.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 436 | A | 33.9 | Very low | 38.1 | Very low | 96 Ų | 96 | 132.3 Ų | 132.3 | 79% | 0.793 | 73% | 0.733 | S | S | * | * | trans | -57.7 | 147.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 437 | Q | 38 | Very low | 37.4 | Very low | 184 Ų | 184 | 134.1 Ų | 134.1 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -131.9 | 131.8 | 138 | -73.8 | -158.7 | -1.8 | 0 | 0 | 109.6 | ||||
| 438 | P | 31 | Very low | 36.8 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -95 | 117.2 | -179.6 | 34.1 | -30.5 | 0 | 0 | 0 | 111.9 | ||||
| 439 | L | 39.7 | Very low | 36.8 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -123.5 | 154.1 | 161.3 | -78.8 | 175 | 0 | 0 | 0 | 110.8 | ||||
| 440 | K | 32.7 | Very low | 36.1 | Very low | 198 Ų | 198 | 135 Ų | 135 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -100.5 | 146.9 | -156 | -55.7 | 171 | -176.1 | 174 | 0 | 111.9 | ||||
| 441 | S | 35.9 | Very low | 35.7 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | 139.1 | 122.6 | 128.2 | 75.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 442 | D | 34.4 | Very low | 35.5 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 64% | 0.642 | 81% | 0.812 | S | S | * | * | trans | 68 | 114.1 | 130.9 | -74.2 | 37.4 | 0 | 0 | 0 | 123.4 | ||||
| 443 | K | 40.6 | Very low | 34.9 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 74% | 0.739 | 82% | 0.816 | S | S | * | * | trans | 97.6 | 109.9 | 130.5 | -69.8 | 170.2 | 177 | 112.7 | 0 | 119.9 | ||||
| 444 | S | 34 | Very low | 34.7 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | trans | 57.9 | 109.2 | 141.6 | 57.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 445 | G | 38.1 | Very low | 34.6 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -173.6 | 73.5 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 446 | Q | 34.6 | Very low | 34.4 | Very low | 190 Ų | 190 | 138.7 Ų | 138.7 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -86.1 | 125 | -170.5 | -148.3 | 152.2 | -6.2 | 0 | 0 | 111.4 | ||||
| 447 | C | 33.2 | Very low | 34.5 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -143.2 | 133.9 | 169.2 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 448 | N | 35.9 | Very low | 34.3 | Very low | 150 Ų | 150 | 141.5 Ų | 141.5 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -105 | 79 | -165.4 | -68.6 | -20.2 | 0 | 0 | 0 | 112.5 | ||||
| 449 | V | 37.9 | Very low | 34.7 | Very low | 138 Ų | 138 | 142 Ų | 142 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | trans | -143.5 | 88.2 | 167.6 | -171.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 450 | C | 29.2 | Very low | 34.5 | Very low | 137 Ų | 137 | 140.9 Ų | 140.9 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | trans | 175.9 | 95.6 | 148.5 | -106.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 451 | A | 29.5 | Very low | 34.5 | Very low | 98 Ų | 98 | 139.9 Ų | 139.9 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -152.7 | 101.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 452 | V | 33.4 | Very low | 34.6 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | S | Bend | trans | 172.3 | 140.1 | 150.5 | 142.6 | 0 | 0 | 0 | 0 | 109.1 | ||
| 453 | V | 31.1 | Very low | 34.7 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 80% | 0.8 | 82% | 0.824 | S | S | * | * | S | Bend | trans | 64.4 | 84.4 | -174.8 | -164.2 | 0 | 0 | 0 | 0 | 116.4 | ||
| 454 | S | 29.6 | Very low | 34.4 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 83% | 0.828 | S | S | * | * | trans | -175.4 | 91.2 | 138.4 | -82.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 455 | T | 36.7 | Very low | 34.5 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | trans | -147.3 | 141.4 | 164.6 | 46.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 456 | F | 33.8 | Very low | 34.3 | Very low | 200 Ų | 200 | 142 Ų | 142 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | 61.9 | 133.7 | -176.7 | -54.4 | -84.2 | 0 | 0 | 0 | 114.3 | ||||
| 457 | V | 35.9 | Very low | 34.4 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | cis | -137.1 | 140.8 | 23.6 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 458 | K | 33.1 | Very low | 34.4 | Very low | 207 Ų | 207 | 142.5 Ų | 142.5 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | trans | -164.7 | 116.8 | 157.5 | -122.2 | -170.9 | 179.8 | -165.2 | 0 | 111.7 | ||||
| 459 | T | 38.4 | Very low | 34.1 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -155.5 | 141.5 | 159.3 | 43.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 460 | D | 36.3 | Very low | 33.9 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -61.2 | 145.2 | -176.2 | -55.7 | -81.1 | 0 | 0 | 0 | 112.3 | ||||
| 461 | E | 33.5 | Very low | 34 | Very low | 177 Ų | 177 | 142.4 Ų | 142.4 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | 60.8 | 94.6 | 65.1 | -169 | 176 | 149.2 | 0 | 0 | 114 | |||||
| 462 | S | 37.9 | Very low | 34.3 | Very low | 122 Ų | 122 | 145.3 Ų | 145.3 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -167.1 | 124.3 | 149.9 | -86.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 463 | A | 35.6 | Very low | 34.4 | Very low | 89 Ų | 89 | 142.5 Ų | 142.5 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 35.8 | 109.9 | 150 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 464 | S | 34.9 | Very low | 34.6 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | 54.1 | 123.1 | 118 | -51.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 465 | K | 35.8 | Very low | 34.9 | Very low | 197 Ų | 197 | 147.5 Ų | 147.5 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | 160 | 130.5 | 90.6 | -169.5 | 166.1 | -177 | 179.3 | 0 | 114.8 | |||||
| 466 | V | 34.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 69% | 0.685 | 77% | 0.77 | S | S | * | * | trans | 68.3 | 103.9 | 154 | 170.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 467 | E | 35.6 | Very low | 34.8 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 62% | 0.617 | 76% | 0.759 | S | S | * | * | 58.1 | 132.9 | 127.7 | -55 | -152.6 | 158.6 | 0 | 0 | 126.3 | |||||
| 468 | R | 32.9 | Very low | 34.8 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | 46.5 | 120.8 | 131.8 | -60.2 | 176 | 179 | 127.7 | 5.6 | 119.6 | ||||
| 469 | F | 31.5 | Very low | 35 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | -155.5 | 179.5 | 89.5 | -123.4 | -94.4 | 0 | 0 | 0 | 111.7 | |||||
| 470 | V | 32.8 | Very low | 35 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -137.4 | 152.9 | -163 | 159.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 471 | S | 31.6 | Very low | 34.8 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 86.7 | 158.6 | 159 | -90.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 472 | L | 36.1 | Very low | 34.8 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | trans | 82.8 | 134 | 171.9 | -52.4 | -176.1 | 0 | 0 | 0 | 116.8 | ||||
| 473 | S | 34.6 | Very low | 34.7 | Very low | 82 Ų | 82 | 138.2 Ų | 138.2 | 57% | 0.573 | 73% | 0.733 | S | S | * | * | cis | -170.9 | 145.9 | -21.3 | -122 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 474 | R | 35.8 | Very low | 34.6 | Very low | 208 Ų | 208 | 139.2 Ų | 139.2 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | trans | 67 | 157.1 | 147.2 | -65.9 | 168.9 | -176.6 | -148.8 | 1.9 | 117.1 | ||||
| 475 | Q | 35.8 | Very low | 34.8 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | cis | -157.9 | 162.8 | -8.2 | -123 | 160.9 | -40 | 0 | 0 | 109.8 | ||||
| 476 | S | 34.6 | Very low | 34.5 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | trans | 33.9 | 137 | 151.6 | 59.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 477 | D | 33.9 | Very low | 34.5 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 65% | 0.647 | 73% | 0.73 | S | S | * | * | cis | -175.7 | 176 | 17.5 | -114.7 | 4.3 | 0 | 0 | 0 | 107.8 | ||||
| 478 | R | 36.3 | Very low | 34.1 | Very low | 210 Ų | 210 | 139.5 Ų | 139.5 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | cis | -151.1 | -175.5 | 2 | -147.4 | 169 | -94.9 | -152 | -13.1 | 110.3 | ||||
| 479 | L | 37.6 | Very low | 34.2 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | trans | -133.7 | 174.7 | 168.2 | -90 | 171.2 | 0 | 0 | 0 | 107.8 | ||||
| 480 | P | 38.1 | Very low | 34 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | cis | -149.4 | 163.8 | 31.1 | 42.9 | -21.7 | 0 | 0 | 0 | 120.5 | ||||
| 481 | N | 32.3 | Very low | 34 | Very low | 124 Ų | 124 | 138 Ų | 138 | 66% | 0.663 | 75% | 0.748 | S | S | * | * | trans | 26.1 | 131.3 | 134 | -42.7 | -21.8 | 0 | 0 | 0 | 121.1 | ||||
| 482 | T | 32.2 | Very low | 34 | Very low | 141 Ų | 141 | 137.2 Ų | 137.2 | 87% | 0.865 | 74% | 0.742 | S | S | * | * | -178 | 162.3 | 99.4 | 27.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 483 | P | 36.3 | Very low | 33.6 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -129.2 | 170 | -171.5 | 42.7 | -28.6 | 0 | 0 | 0 | 117.5 | ||||
| 484 | S | 32.8 | Very low | 33.6 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | 73.9 | 172.6 | 157.2 | -57.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 485 | P | 40.4 | Very low | 33.5 | Very low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | -137 | -174.2 | -60 | 41.7 | -26.9 | 0 | 0 | 0 | 114.6 | |||||
| 486 | L | 27.7 | Very low | 33.9 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 72.4 | 133.8 | 163.3 | -66.8 | 169.1 | 0 | 0 | 0 | 120.2 | ||||
| 487 | V | 35.7 | Very low | 34.1 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | -178 | 144.1 | 117.9 | 146.4 | 0 | 0 | 0 | 0 | 109.7 | I489 | V487-I489 HydrophobicContact CG1-CG1 4.38Š| |||
| 488 | M | 26.9 | Very low | 34.1 | Very low | 183 Ų | 183 | 135.5 Ų | 135.5 | 90% | 0.901 | 76% | 0.759 | S | S | * | * | trans | -97.9 | 137 | 169.9 | -68.1 | -171 | -63.1 | 0 | 0 | 111.4 | ||||
| 489 | I | 34.7 | Very low | 34.3 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | -138.5 | 132 | 151.5 | -58.4 | -177.8 | 0 | 0 | 0 | 108.1 | V487 | V487-I489 HydrophobicContact CG1-CG1 4.38Š| ||
| 490 | A | 27.2 | Very low | 34.2 | Very low | 91 Ų | 91 | 137.7 Ų | 137.7 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -110.7 | 143.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 491 | R | 32.9 | Very low | 34.2 | Very low | 230 Ų | 230 | 143.4 Ų | 143.4 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | trans | -162.1 | 109.8 | 161.2 | -114.9 | 163.9 | -178.6 | 124.3 | 2.4 | 113.8 | ||||
| 492 | S | 31 | Very low | 34.2 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | trans | 33.6 | 123.2 | 135.8 | 60.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 493 | N | 28.9 | Very low | 34.5 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | 61.9 | 121 | 130.2 | -52 | -0.9 | 0 | 0 | 0 | 120 | ||||
| 494 | V | 35.2 | Very low | 34.3 | Very low | 140 Ų | 140 | 148.6 Ų | 148.6 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | -177.9 | 149.6 | 114.1 | 146.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 495 | S | 33.4 | Very low | 34.5 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -144.2 | -177.7 | 176.1 | -52.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 496 | P | 43.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 147.6 Ų | 147.6 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | cis | -120.9 | -170.1 | -45.2 | 37.1 | -21.9 | 0 | 0 | 0 | 111 | ||||
| 497 | I | 39.6 | Very low | 34.9 | Very low | 162 Ų | 162 | 147 Ų | 147 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -169.8 | 107.5 | 154.4 | -98.8 | 145 | 0 | 0 | 0 | 108.5 | ||||
| 498 | D | 33.6 | Very low | 35.2 | Very low | 96 Ų | 96 | 147 Ų | 147 | 51% | 0.513 | 75% | 0.752 | S | S | . | * | 44 | 119.7 | 102 | -168.2 | 14.5 | 0 | 0 | 0 | 117.4 | K500 | D498-K500 PolarHBondContact OD1-N 3.06Å; D498-K500 IonicContact OD2-NZ 3.16Å; D498-K500 PolarHBondContact OD2-NZ 2.87Å | |||
| 499 | R | 40.6 | Very low | 35.8 | Very low | 244 Ų | 244 | 146 Ų | 146 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | trans | -155.9 | 87.3 | 141.9 | -107.3 | 166.8 | -161.6 | -159.8 | 4.1 | 113.2 | ||||
| 500 | K | 35.7 | Very low | 35.9 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | 6.3 | 139.8 | 122.7 | -91.4 | 161 | -171.9 | 129.9 | 0 | 116.1 | D498 | D498-K500 PolarHBondContact OD1-N 3.06Å; D498-K500 IonicContact OD2-NZ 3.16Å; D498-K500 PolarHBondContact OD2-NZ 2.87Å | |||
| 501 | R | 37.4 | Very low | 36.6 | Very low | 226 Ų | 226 | 147.9 Ų | 147.9 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | cis | -156.2 | 149.2 | 35.5 | -62.9 | -173.3 | -175.6 | 178.8 | -0.2 | 109.4 | ||||
| 502 | R | 33.5 | Very low | 36.9 | Very low | 217 Ų | 217 | 145 Ų | 145 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | 76.7 | 115.7 | 61.9 | -111.7 | -162.6 | 169.7 | -156.1 | -0.9 | 115.8 | |||||
| 503 | L | 37.4 | Very low | 37.4 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 67% | 0.665 | 75% | 0.748 | S | S | * | * | trans | 71.5 | 148.6 | 137.7 | -67.3 | 172.9 | 0 | 0 | 0 | 120.4 | ||||
| 504 | D | 33.3 | Very low | 37.8 | Very low | 142 Ų | 142 | 144.7 Ų | 144.7 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | cis | -169.9 | -179.8 | -15.5 | -155.6 | -4.4 | 0 | 0 | 0 | 111.6 | ||||
| 505 | S | 35.5 | Very low | 38 | Very low | 81 Ų | 81 | 146.5 Ų | 146.5 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | trans | 88.1 | 114.1 | 142.3 | -143.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 506 | T | 40.8 | Very low | 38.3 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | 64.3 | 155.8 | 127.4 | 61.8 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 507 | D | 37.3 | Very low | 38.1 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | cis | -164.9 | 176.9 | 13.1 | -141.3 | -23.9 | 0 | 0 | 0 | 116.5 | ||||
| 508 | L | 40.7 | Very low | 38.2 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | trans | 76.3 | 112.4 | 149.6 | -64.6 | 165.7 | 0 | 0 | 0 | 124 | ||||
| 509 | L | 39.3 | Very low | 38.4 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | 57.7 | 146.4 | 130.7 | -54.9 | 177.9 | 0 | 0 | 0 | 123 | ||||
| 510 | G | 36.8 | Very low | 38.2 | Very low | 65 Ų | 65 | 137.9 Ų | 137.9 | 67% | 0.67 | 74% | 0.743 | S | S | * | * | cis | 153.3 | 153.4 | -13.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 511 | R | 42.6 | Very low | 38.5 | Very low | 217 Ų | 217 | 137.2 Ų | 137.2 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | trans | 68 | 155 | 168.6 | -58.1 | 178.5 | 174.5 | 165.3 | -1.1 | 115.6 | ||||
| 512 | F | 39.5 | Very low | 38.5 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | cis | -150.6 | 177.2 | 16.2 | -91.6 | -53.8 | 0 | 0 | 0 | 108.4 | ||||
| 513 | L | 40.3 | Very low | 38.8 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | cis | -155.3 | 135.7 | -10.9 | -102.2 | 167.4 | 0 | 0 | 0 | 105 | ||||
| 514 | S | 38.1 | Very low | 39 | Very low | 91 Ų | 91 | 137.9 Ų | 137.9 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | 67 | 113.9 | 86.2 | -163.8 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 515 | Q | 39.9 | Very low | 39.2 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | 177.4 | 144.8 | 111 | -94.4 | 174.5 | 97.2 | 0 | 0 | 114.9 | |||||
| 516 | S | 38.4 | Very low | 39.5 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | 37.3 | 131.4 | 158.4 | 53.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 517 | A | 39.5 | Very low | 39.2 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | 81.1 | 157 | 27.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 518 | P | 42.4 | Very low | 39.3 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -144 | -166.9 | -39.8 | 39.7 | -20.5 | 0 | 0 | 0 | 115.7 | ||||
| 519 | S | 37.6 | Very low | 39.3 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | 99.4 | 164.6 | 148.7 | 82.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 520 | S | 36.1 | Very low | 39.2 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -144.6 | 165.1 | -173.1 | -38 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 521 | P | 43 | Very low | 39.1 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -149.2 | -153.7 | 133.9 | 37.9 | -18.7 | 0 | 0 | 0 | 116.3 | ||||
| 522 | K | 37.5 | Very low | 39.1 | Very low | 199 Ų | 199 | 137.5 Ų | 137.5 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | trans | -128 | 177 | -154.2 | -57.1 | 171.4 | 177.4 | 174.3 | 0 | 115 | ||||
| 523 | R | 38.7 | Very low | 38.9 | Very low | 222 Ų | 222 | 138.6 Ų | 138.6 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | 94.2 | 156.9 | 164.1 | -58 | -171.9 | 177.7 | -153.3 | 1.3 | 115.4 | ||||
| 524 | H | 41 | Very low | 38.5 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | cis | -139.8 | 178 | 22.4 | -138.9 | -84.9 | 0 | 0 | 0 | 114.8 | ||||
| 525 | A | 38.2 | Very low | 38 | Very low | 84 Ų | 84 | 141.3 Ų | 141.3 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | trans | -149.5 | 161.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 526 | Q | 41 | Very low | 37.8 | Very low | 183 Ų | 183 | 139.6 Ų | 139.6 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -164.5 | 131.7 | 162.3 | -97.7 | 155.1 | -8 | 0 | 0 | 107.2 | ||||
| 527 | R | 35.2 | Very low | 37.5 | Very low | 230 Ų | 230 | 140.3 Ų | 140.3 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | 65.8 | 136.6 | 64.4 | -86.7 | -169.4 | 172.5 | -148.7 | -0.9 | 113.6 | |||||
| 528 | L | 40 | Very low | 37.2 | Very low | 144 Ų | 144 | 143.8 Ų | 143.8 | 75% | 0.754 | 81% | 0.811 | S | S | * | * | cis | -147.2 | 167.7 | 43.4 | -71.1 | 162.9 | 0 | 0 | 0 | 115.9 | ||||
| 529 | S | 39.3 | Very low | 36.9 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | 16.2 | 148.2 | 153.5 | 56.5 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 530 | G | 37.5 | Very low | 37.1 | Very low | 85 Ų | 85 | 146.1 Ų | 146.1 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | cis | 139.1 | 146.9 | -5.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 531 | G | 35.6 | Very low | 37.3 | Very low | 80 Ų | 80 | 148.9 Ų | 148.9 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | 118.8 | 129.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 532 | P | 43.3 | Very low | 36.9 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | trans | -111.1 | 170.6 | 173.5 | 40.8 | -33 | 0 | 0 | 0 | 113.7 | ||||
| 533 | F | 35 | Very low | 36.8 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -171.9 | 132.6 | 140.1 | -109.8 | -67.1 | 0 | 0 | 0 | 116.1 | ||||
| 534 | N | 31.1 | Very low | 36.5 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | 30.7 | 155.5 | 151.4 | -71.8 | 3.8 | 0 | 0 | 0 | 127.9 | ||||
| 535 | I | 27.4 | Very low | 36 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | trans | -76.1 | 146.2 | 169.7 | -63.7 | 153.5 | 0 | 0 | 0 | 112.3 | ||||
| 536 | T | 35.4 | Very low | 35.6 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -140.8 | 149.8 | 144.9 | -44.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 537 | T | 31.7 | Very low | 35.3 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -101.3 | 153.2 | 178.3 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 538 | D | 35.2 | Very low | 35 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -154 | 162 | 138.8 | -142.2 | -20.5 | 0 | 0 | 0 | 112 | ||||
| 539 | E | 35.8 | Very low | 34.7 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -104.7 | 150.8 | 176.9 | -70.2 | -170.2 | 77.1 | 0 | 0 | 112.3 | ||||
| 540 | S | 40.4 | Very low | 34.6 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | 166 | 141.3 | 125.8 | 44.4 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 541 | D | 40.7 | Very low | 34.7 | Very low | 171 Ų | 171 | 144.7 Ų | 144.7 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | trans | 54 | 158.8 | 156.1 | -75.6 | -31.2 | 0 | 0 | 0 | 121.3 | ||||
| 542 | G | 34.4 | Very low | 35.5 | Very low | 60 Ų | 60 | 146.6 Ų | 146.6 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | cis | 168.6 | 92.1 | -7.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 543 | R | 36 | Very low | 35.2 | Very low | 224 Ų | 224 | 146.8 Ų | 146.8 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | 73.1 | 122.3 | 158.3 | -63.9 | -178.7 | 175.8 | -172 | 1 | 121 | ||||
| 544 | Q | 32.4 | Very low | 35.2 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | 92.3 | 150.5 | 125.7 | -77 | 179.7 | 18.7 | 0 | 0 | 123 | |||||
| 545 | R | 31.3 | Very low | 35.4 | Very low | 211 Ų | 211 | 145.4 Ų | 145.4 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | 76.3 | 109.6 | 162.6 | -75.6 | -173.2 | 121.2 | 117 | -2.7 | 120.3 | ||||
| 546 | L | 28.7 | Very low | 35.9 | Very low | 142 Ų | 142 | 143.5 Ų | 143.5 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | 66.5 | 158.6 | 137.1 | -51.7 | 172.6 | 0 | 0 | 0 | 115.3 | ||||
| 547 | Q | 34.8 | Very low | 35.8 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | cis | -151.1 | 156.8 | 17 | -161 | 167.2 | -69.1 | 0 | 0 | 110.1 | ||||
| 548 | L | 29.5 | Very low | 36.1 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -86.1 | 124.5 | 169.8 | -77.1 | 167.6 | 0 | 0 | 0 | 110.4 | ||||
| 549 | C | 34.2 | Very low | 36.3 | Very low | 108 Ų | 108 | 139 Ų | 139 | 73% | 0.73 | 78% | 0.779 | S | S | * | * | trans | -142.5 | 153.6 | 162.5 | -85.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 550 | P | 37.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -94.7 | 174.3 | -167.4 | 37.3 | -35.1 | 0 | 0 | 0 | 114.3 | ||||
| 551 | S | 39.8 | Very low | 36.6 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 148.3 | 175.2 | 34.9 | 0 | 0 | 0 | 0 | 113.5 | ||
| 552 | P | 51.2 | Low | 36.6 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 154.9 | -171.5 | 33.8 | -36.7 | 0 | 0 | 0 | 114.1 | ||
| 553 | P | 36.9 | Very low | 37 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -87 | 171.9 | 173.4 | 36.3 | -35.7 | 0 | 0 | 0 | 113.9 | ||
| 554 | S | 34.4 | Very low | 37.2 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -33.7 | 139.3 | 176.8 | 53.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 555 | F | 36.2 | Very low | 37.6 | Very low | 204 Ų | 204 | 128.4 Ų | 128.4 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | trans | -97.2 | 154.9 | 155.6 | -167.8 | -96.9 | 0 | 0 | 0 | 110.9 | ||||
| 556 | V | 36.9 | Very low | 38.1 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 65% | 0.648 | 77% | 0.769 | S | S | * | * | trans | -143.7 | 156.6 | -170.1 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 557 | S | 34.9 | Very low | 38.7 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | 113.5 | 166 | 148.3 | -154.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 558 | V | 36.7 | Very low | 38.8 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | 74.5 | 121.6 | 174.4 | -169.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 559 | A | 40.1 | Very low | 39.5 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | cis | -161.4 | 171.8 | -11.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 560 | S | 37 | Very low | 40.1 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -122.3 | 162 | 161 | -54.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 561 | P | 46.4 | Very low | 40.2 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | -149.9 | 175.7 | 117.3 | 41.4 | -26.7 | 0 | 0 | 0 | 115.6 | |||||
| 562 | D | 40.4 | Very low | 40.3 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 67.6 | 147 | 152.6 | -62.5 | -25.7 | 0 | 0 | 0 | 120.5 | ||||
| 563 | T | 43.1 | Very low | 39.9 | Very low | 114 Ų | 114 | 126 Ų | 126 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | cis | -155.9 | 153.2 | -0 | 10.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 564 | S | 40 | Very low | 40 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | 58.9 | 148.3 | 147.7 | -58 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 565 | A | 40.2 | Very low | 40.5 | Very low | 80 Ų | 80 | 130.6 Ų | 130.6 | 66% | 0.661 | 76% | 0.76 | S | S | * | * | cis | -168.1 | 151.4 | 15.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 566 | L | 41.4 | Very low | 41 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | 62.8 | 159 | 147.8 | -56.9 | 169.1 | 0 | 0 | 0 | 122.1 | ||||
| 567 | K | 40.9 | Very low | 41.2 | Very low | 179 Ų | 179 | 125.7 Ų | 125.7 | 78% | 0.778 | 76% | 0.759 | S | S | * | * | cis | -173.5 | 112.8 | -35.4 | -176.8 | 175.2 | -179.1 | -176.3 | 0 | 114.1 | ||||
| 568 | A | 38.7 | Very low | 41.6 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | trans | 56.7 | 175.9 | 146 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 569 | L | 43.1 | Very low | 41.8 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | 81 | 140.7 | 177.8 | -49.9 | 177 | 0 | 0 | 0 | 116.2 | ||||
| 570 | S | 46.7 | Very low | 42 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -160.4 | 175.4 | -11.5 | -111.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 571 | D | 40.3 | Very low | 42.2 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | -81.5 | -177.6 | -167 | -66.8 | -89.8 | 0 | 0 | 0 | 119.4 | ||||
| 572 | E | 41.6 | Very low | 42 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 85.3 | 147.8 | 161.1 | -72.6 | -159.7 | 53.3 | 0 | 0 | 119.7 | ||||
| 573 | S | 41.1 | Very low | 42.2 | Very low | 77 Ų | 77 | 135.7 Ų | 135.7 | 54% | 0.538 | 76% | 0.758 | S | S | . | * | cis | -155.4 | 153.1 | 4.9 | -137.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 574 | R | 40.4 | Very low | 41.9 | Very low | 220 Ų | 220 | 137.1 Ų | 137.1 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | 48.7 | 117.2 | 145.7 | -77.6 | 173.3 | 175 | 154.1 | 1.3 | 122 | ||||
| 575 | S | 45.4 | Very low | 41.9 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | 79.6 | 141.2 | 85 | 84.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 576 | T | 45.6 | Very low | 42 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | cis | -148.4 | 175.1 | 21.7 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 577 | G | 41.7 | Very low | 41.9 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | cis | 160.8 | 157.8 | -12.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 578 | K | 43.4 | Very low | 41.9 | Very low | 203 Ų | 203 | 132.6 Ų | 132.6 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | 71.9 | 146.6 | 167 | -62.8 | -167.9 | 176.6 | -180 | 0 | 118.5 | ||||
| 579 | L | 40.4 | Very low | 41.9 | Very low | 162 Ų | 162 | 133 Ų | 133 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | cis | -151 | 175.5 | -13.3 | -150.7 | 68 | 0 | 0 | 0 | 111.3 | ||||
| 580 | A | 44.6 | Very low | 42 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | trans | -86.9 | -165.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 581 | H | 41.2 | Very low | 41.8 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 82% | 0.815 | 75% | 0.752 | S | S | * | * | cis | -159.4 | -176 | 28.4 | -153.8 | -100.2 | 0 | 0 | 0 | 114.9 | ||||
| 582 | L | 42.9 | Very low | 42.3 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | trans | -84.7 | 162.3 | -163.6 | -80.2 | 150.4 | 0 | 0 | 0 | 118.7 | ||||
| 583 | K | 42.7 | Very low | 42.5 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 74% | 0.739 | 74% | 0.74 | S | S | * | * | trans | 72.6 | 160.9 | 146.4 | -77.1 | 170.6 | 167.4 | -101.6 | 0 | 119.4 | ||||
| 584 | E | 38.7 | Very low | 42.9 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | cis | -174.1 | 143.2 | -24 | 173.6 | 163.3 | -158.7 | 0 | 0 | 112 | ||||
| 585 | A | 39.4 | Very low | 43.4 | Very low | 84 Ų | 84 | 127.9 Ų | 127.9 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | trans | 68 | 163.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 586 | T | 40.9 | Very low | 43.3 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 74.6 | 90.8 | 157 | 36.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 587 | S | 40.1 | Very low | 43.7 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 76% | 0.758 | S | S | * | * | 66.2 | 138.5 | 114.2 | 63.3 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 588 | T | 41.3 | Very low | 44.2 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | 79.6 | 105.8 | 141.9 | 40.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 589 | A | 38.5 | Very low | 44.3 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | 81.9 | 151.1 | 120.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 590 | A | 44.6 | Very low | 45.2 | Very low | 85 Ų | 85 | 127.7 Ų | 127.7 | 70% | 0.702 | 76% | 0.755 | S | S | * | * | trans | 64.1 | 146.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 591 | D | 43.3 | Very low | 46 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 86% | 0.856 | 76% | 0.755 | S | S | * | * | cis | -165.8 | 179.1 | -22.4 | -94.9 | -32.1 | 0 | 0 | 0 | 106.6 | ||||
| 592 | S | 51.1 | Low | 46.7 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 60% | 0.601 | 75% | 0.753 | S | S | * | * | cis | -156.6 | -172.5 | 14.6 | 71.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 593 | N | 44.5 | Very low | 47.4 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | 26.7 | 138.2 | 143.2 | -51.9 | -33.7 | 0 | 0 | 0 | 120.7 | ||||
| 594 | T | 50.4 | Low | 47.6 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | -155.3 | 154.4 | 57.8 | 38.6 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 595 | E | 50 | Low | 48.1 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | 72 | 162.1 | 149.2 | -77.4 | -173.7 | 99.2 | 0 | 0 | 123 | ||||
| 596 | L | 44.2 | Very low | 48.6 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | trans | -130.9 | 157.4 | -153.7 | -72.7 | 143.2 | 0 | 0 | 0 | 112.1 | ||||
| 597 | T | 53.1 | Low | 49 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -154.4 | 161 | 145.3 | -3.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 598 | V | 51.9 | Low | 49.6 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 76% | 0.758 | 82% | 0.821 | S | S | * | * | trans | -119.2 | 138.2 | -145.9 | 173.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 599 | S | 45.8 | Very low | 50.1 | Low | 108 Ų | 108 | 133.2 Ų | 133.2 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | 7.5 | 132.2 | 156.4 | -48.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 600 | V | 60.2 | Low | 51 | Low | 136 Ų | 136 | 135.9 Ų | 135.9 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | trans | -139.6 | 113.9 | 135.8 | -178 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 601 | D | 60.4 | Low | 51.5 | Low | 118 Ų | 118 | 139.8 Ų | 139.8 | 63% | 0.631 | 84% | 0.835 | S | S | * | * | 59.8 | 134.1 | 88.3 | -131.7 | 30 | 0 | 0 | 0 | 112.9 | |||||
| 602 | K | 56.8 | Low | 52.1 | Low | 179 Ų | 179 | 138.1 Ų | 138.1 | 78% | 0.778 | 83% | 0.833 | S | S | * | * | cis | -162.2 | 149.3 | 4.2 | -157.3 | 176.3 | -139.1 | 71.2 | 0 | 108.6 | ||||
| 603 | G | 57.4 | Low | 52.2 | Low | 150 Ų | 150 | 142.8 Ų | 142.8 | 100% | 1.546 | 85% | 0.854 | S | S | * | * | trans | 158.2 | 0 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 |
Retrieved 603 of 603 residues in 74.2 ms
(Link to these results)