| 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 | 53.1 | Low | 234 Ų | 234 | 153.9 Ų | 153.9 | 100% | 1.153 | 83% | 0.829 | S | S | * | * | 0 | 113.5 | 0 | -75.1 | 148.9 | 83.9 | 0 | 0 | 107.2 | |||||
| 2 | N | 44.3 | Very low | 53.9 | Low | 157 Ų | 157 | 152.8 Ų | 152.8 | 84% | 0.84 | 83% | 0.831 | S | S | * | * | trans | -85.8 | 109.1 | -174.8 | -79.9 | -22.8 | 0 | 0 | 0 | 110.1 | K4 | N2-K4 PolarHBondContact O-N 3.23Š| ||
| 3 | S | 50.3 | Low | 52.9 | Low | 124 Ų | 124 | 154.6 Ų | 154.6 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -89.2 | 75.9 | 174.5 | -45.3 | 0 | 0 | 0 | 0 | 109.7 | G5 | S3-G5 PolarHBondContact O-N 2.91Š| ||
| 4 | K | 56.2 | Low | 53.1 | Low | 193 Ų | 193 | 152.6 Ų | 152.6 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -76.5 | 112.1 | 168.2 | -69.7 | -167.7 | 179.3 | -177.2 | 0 | 108 | N2 Q6 | N2-K4 PolarHBondContact O-N 3.23Å; K4-Q6 PolarHBondContact O-N 3.23Å | ||
| 5 | G | 57.5 | Low | 53.5 | Low | 64 Ų | 64 | 151.6 Ų | 151.6 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 133.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S3 Y7 | S3-G5 PolarHBondContact O-N 2.91Å; G5-Y7 PolarHBondContact O-N 2.97Å |
| 6 | Q | 58.9 | Low | 53.3 | Low | 190 Ų | 190 | 153.2 Ų | 153.2 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 127.5 | 172.5 | -73.2 | -87.8 | 10.3 | 0 | 0 | 109.4 | K4 | K4-Q6 PolarHBondContact O-N 3.23Š|
| 7 | Y | 48.2 | Very low | 53.6 | Low | 209 Ų | 209 | 150.2 Ų | 150.2 | 82% | 0.82 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 146.2 | 171.8 | -74.5 | -88.8 | 0 | 0 | 0 | 110.1 | G5 | G5-Y7 PolarHBondContact O-N 2.97Š|
| 8 | P | 57.5 | Low | 53.7 | Low | 123 Ų | 123 | 149.7 Ų | 149.7 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 136.2 | 175.3 | 26.1 | -31.7 | 0 | 0 | 0 | 110.7 | ||
| 9 | T | 61.4 | Low | 53.4 | Low | 136 Ų | 136 | 145 Ų | 145 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 136 | 175.6 | 46.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 10 | Q | 52.1 | Low | 53.1 | Low | 161 Ų | 161 | 145.1 Ų | 145.1 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 136.9 | 179.4 | -163.2 | -177.4 | 22.8 | 0 | 0 | 110.2 | ||
| 11 | P | 59.2 | Low | 52.9 | Low | 102 Ų | 102 | 142.6 Ų | 142.6 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 135.6 | 172.1 | 26.3 | -30.7 | 0 | 0 | 0 | 110.9 | ||
| 12 | T | 62 | Low | 53.6 | Low | 140 Ų | 140 | 137.8 Ų | 137.8 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 127.8 | 173.4 | -87.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 13 | Y | 40.9 | Very low | 53.6 | Low | 177 Ų | 177 | 139 Ų | 139 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 145.1 | 172 | -69.9 | -84.8 | 0 | 0 | 0 | 111.1 | V15 | Y13-V15 PolarHBondContact O-N 3.34Š|
| 14 | P | 56.5 | Low | 53.7 | Low | 127 Ų | 127 | 139.1 Ų | 139.1 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 127.2 | 174.4 | 24.8 | -29.2 | 0 | 0 | 0 | 110.6 | ||
| 15 | V | 58.3 | Low | 53.4 | Low | 137 Ų | 137 | 138.1 Ų | 138.1 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 127.5 | 172.6 | 177.2 | 0 | 0 | 0 | 0 | 108.6 | Y13 | Y13-V15 PolarHBondContact O-N 3.34Š|
| 16 | Q | 50.4 | Low | 53.3 | Low | 177 Ų | 177 | 139.3 Ų | 139.3 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 125.8 | 176.4 | -169.6 | 170.7 | -3 | 0 | 0 | 109.7 | ||
| 17 | P | 58.8 | Low | 53 | Low | 103 Ų | 103 | 137.8 Ų | 137.8 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 150.3 | 176.2 | 24.6 | -30.4 | 0 | 0 | 0 | 110.3 | G19 | P17-G19 PolarHBondContact O-N 3Š|
| 18 | P | 55 | Low | 53.5 | Low | 140 Ų | 140 | 135.8 Ų | 135.8 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -73.1 | 79.4 | 176.1 | 29.9 | -30.4 | 0 | 0 | 0 | 109.1 | ||||
| 19 | G | 47.9 | Very low | 53.4 | Low | 61 Ų | 61 | 136.2 Ų | 136.2 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | trans | -99.2 | 118.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109 | P17 | P17-G19 PolarHBondContact O-N 3Š| ||
| 20 | N | 46.6 | Very low | 53.3 | Low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -49.2 | 133.9 | 171.4 | -70.2 | -30.7 | 0 | 0 | 0 | 110.1 | V22 | N20-V22 PolarHBondContact O-N 3.4Š| ||
| 21 | P | 50.5 | Low | 54 | Low | 92 Ų | 92 | 137.3 Ų | 137.3 | 60% | 0.597 | 76% | 0.762 | S | S | * | * | trans | -67.3 | 101.3 | 171.2 | 27.2 | -31.2 | 0 | 0 | 0 | 108.3 | Y23 | P21-Y23 HydrophobicContact CB-CD2 4.09Å; P21-Y23 HydrophobicContact CB-CE2 3.66Å; P21-Y23 HydrophobicContact CG-CD2 4.38Å; P21-Y23 HydrophobicContact CG-CE2 3.71Å; P21-Y23 WeakPolarHBondContact O-CD2 2.93Å; P21-Y23 PolarHBondContact O-N 2.91Å | ||
| 22 | V | 52 | Low | 54.1 | Low | 134 Ų | 134 | 136.3 Ų | 136.3 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | trans | -74.7 | 86.7 | 161.7 | -177.4 | 0 | 0 | 0 | 0 | 105.8 | N20 | N20-V22 PolarHBondContact O-N 3.4Š| ||
| 23 | Y | 45.8 | Very low | 54.7 | Low | 183 Ų | 183 | 134.9 Ų | 134.9 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | trans | -60.1 | 129.5 | 161.2 | -63.4 | -83.9 | 0 | 0 | 0 | 107.2 | P21 Q25 | P21-Y23 HydrophobicContact CB-CD2 4.09Å; P21-Y23 HydrophobicContact CB-CE2 3.66Å; P21-Y23 HydrophobicContact CG-CD2 4.38Å; P21-Y23 HydrophobicContact CG-CE2 3.71Å; P21-Y23 WeakPolarHBondContact O-CD2 2.93Å; P21-Y23 PolarHBondContact O-N 2.91Å; Y23-Q25 PolarHBondContact O-N 2.85Å | ||
| 24 | P | 51.3 | Low | 56 | Low | 125 Ų | 125 | 131.5 Ų | 131.5 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | trans | -60.5 | 114.4 | 165.7 | 24.3 | -29.9 | 0 | 0 | 0 | 107.4 | T26 | P24-T26 PolarHBondContact O-N 2.72Š| ||
| 25 | Q | 50.2 | Low | 55.8 | Low | 173 Ų | 173 | 136.1 Ų | 136.1 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | trans | -59.3 | 132.1 | 170.5 | -91.6 | -155.5 | -47.2 | 0 | 0 | 109.5 | Y23 | Y23-Q25 PolarHBondContact O-N 2.85Š| ||
| 26 | T | 56 | Low | 55.9 | Low | 89 Ų | 89 | 135.7 Ų | 135.7 | 55% | 0.546 | 76% | 0.756 | S | S | . | * | trans | 52.9 | 83.3 | 149.4 | 60.8 | 0 | 0 | 0 | 0 | 116.1 | P24 H28 | P24-T26 PolarHBondContact O-N 2.72Å; T26-H28 VanDerWaalsContact C-N 3.32Å; T26-H28 PolarHBondContact O-N 3.18Å; T26-H28 PolarHBondContact O-ND1 3.09Å | ||
| 27 | L | 52.5 | Low | 56.6 | Low | 157 Ų | 157 | 133.8 Ų | 133.8 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -59.7 | 101.8 | 149.5 | -149.9 | 79.4 | 0 | 0 | 0 | 106.9 | L29 | L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 HydrophobicContact CB-CD1 4.2Å; L27-L29 HydrophobicContact CD2-CD1 3.86Å; L27-L29 HydrophobicContact CG-CD1 4.27Å; L27-L29 PolarHBondContact O-N 3.07Å | ||
| 28 | H | 58.1 | Low | 57 | Low | 167 Ų | 167 | 132.5 Ų | 132.5 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -67.4 | 92.8 | 172.8 | -75.4 | 84.7 | 0 | 0 | 0 | 107.7 | T26 | T26-H28 VanDerWaalsContact C-N 3.32Å; T26-H28 PolarHBondContact O-N 3.18Å; T26-H28 PolarHBondContact O-ND1 3.09Å | ||
| 29 | L | 56.1 | Low | 57.4 | Low | 133 Ų | 133 | 131.2 Ų | 131.2 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 133.3 | 166.2 | -91.8 | 75.8 | 0 | 0 | 0 | 108 | L27 Q31 | L27-L29 VanDerWaalsContact C-N 3.3Å; L27-L29 HydrophobicContact CB-CD1 4.2Å; L27-L29 HydrophobicContact CD2-CD1 3.86Å; L27-L29 HydrophobicContact CG-CD1 4.27Å; L27-L29 PolarHBondContact O-N 3.07Å; L29-Q31 PolarHBondContact O-N 3.01Å |
| 30 | P | 58.9 | Low | 58.1 | Low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 127.6 | 167.5 | -20.5 | 30.6 | 0 | 0 | 0 | 109.2 | A32 | P30-A32 PolarHBondContact O-N 3.45Š|
| 31 | Q | 67.9 | Low | 58.6 | Low | 194 Ų | 194 | 129 Ų | 129 | 91% | 0.907 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -59 | 127 | 168.2 | -97.3 | -176.5 | -37.1 | 0 | 0 | 108.2 | L29 | L29-Q31 PolarHBondContact O-N 3.01Š|
| 32 | A | 60.5 | Low | 58.6 | Low | 82 Ų | 82 | 134.5 Ų | 134.5 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58 | 139.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | P30 | P30-A32 PolarHBondContact O-N 3.45Š|
| 33 | P | 73.9 | Confident | 58.7 | Low | 109 Ų | 109 | 132.8 Ų | 132.8 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 141.2 | 175.8 | -21 | 29.8 | 0 | 0 | 0 | 110.1 | Y35 | P33-Y35 PolarHBondContact O-N 2.87Š|
| 34 | P | 68.3 | Low | 59.1 | Low | 106 Ų | 106 | 128.6 Ų | 128.6 | 69% | 0.688 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 128.5 | 171.5 | 22.3 | -30.8 | 0 | 0 | 0 | 109 | T36 | P34-T36 HydrophobicContact CB-CG2 4.44Å; P34-T36 HydrophobicContact CG-CG2 4.47Å; P34-T36 PolarHBondContact O-N 3.24Å |
| 35 | Y | 51.9 | Low | 59.1 | Low | 224 Ų | 224 | 128.7 Ų | 128.7 | 88% | 0.878 | 71% | 0.713 | S | S | * | * | trans | -66.2 | 97.6 | 172.7 | -92 | -91.2 | 0 | 0 | 0 | 108.2 | P33 | P33-Y35 PolarHBondContact O-N 2.87Š| ||
| 36 | T | 62 | Low | 59 | Low | 129 Ų | 129 | 130.5 Ų | 130.5 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | -95.9 | -5.9 | 178.1 | 54.1 | 0 | 0 | 0 | 0 | 113 | P34 | P34-T36 HydrophobicContact CB-CG2 4.44Å; P34-T36 HydrophobicContact CG-CG2 4.47Å; P34-T36 PolarHBondContact O-N 3.24Å | ||
| 37 | D | 64.8 | Low | 58.6 | Low | 137 Ų | 137 | 133.2 Ų | 133.2 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -102.3 | 120.6 | -178.4 | -149.1 | 35.7 | 0 | 0 | 0 | 110.4 | ||
| 38 | A | 66.8 | Low | 58.4 | Low | 75 Ų | 75 | 130.9 Ų | 130.9 | 62% | 0.62 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 138.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||
| 39 | P | 63.1 | Low | 57.9 | Low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 138 | 177.3 | 22.7 | -32.2 | 0 | 0 | 0 | 109.3 | A41 | P39-A41 PolarHBondContact O-N 3.45Š|
| 40 | P | 62.2 | Low | 57.4 | Low | 100 Ų | 100 | 129 Ų | 129 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 128.9 | -179.9 | -25.4 | 31.8 | 0 | 0 | 0 | 110.2 | Y42 | P40-Y42 PolarHBondContact O-N 3.46Š|
| 41 | A | 58.8 | Low | 56.6 | Low | 61 Ų | 61 | 128.6 Ų | 128.6 | 50% | 0.504 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 134.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | P39 S43 E44 | P39-A41 PolarHBondContact O-N 3.45Å; A41-S43 PolarHBondContact O-N 2.89Å; A41-E44 PolarHBondContact O-N 2.92Å |
| 42 | Y | 48.6 | Very low | 55.4 | Low | 207 Ų | 207 | 127.5 Ų | 127.5 | 81% | 0.812 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -25.2 | -175.8 | -127.9 | -95.6 | 0 | 0 | 0 | 113.3 | P40 | P40-Y42 PolarHBondContact O-N 3.46Š|
| 43 | S | 54.9 | Low | 54.4 | Low | 98 Ų | 98 | 129.4 Ų | 129.4 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -28.7 | 177.6 | -40.8 | 0 | 0 | 0 | 0 | 114.4 | A41 L45 Y46 | A41-S43 PolarHBondContact O-N 2.89Å; S43-L45 VanDerWaalsContact C-N 3.28Å; S43-L45 PolarHBondContact O-N 3.22Å; S43-Y46 PolarHBondContact O-N 2.9Å |
| 44 | E | 55.1 | Low | 53.1 | Low | 95 Ų | 95 | 128.2 Ų | 128.2 | 44% | 0.444 | 71% | 0.708 | S | S | . | * | G | 310 helix | trans | -74.7 | -19.6 | 179.9 | -73.8 | -77.6 | 113 | 0 | 0 | 112 | A41 Y46 R47 | A41-E44 PolarHBondContact O-N 2.92Å; E44-Y46 PolarHBondContact O-N 3.44Å; E44-R47 PolarHBondContact O-N 3.41Å; E44-R47 IonicContact OE1-CZ 3.91Å; E44-R47 IonicContact OE1-NE 3.4Å; E44-R47 PolarHBondContact OE1-NE 3.35Å |
| 45 | L | 51.5 | Low | 51.5 | Low | 128 Ų | 128 | 126.3 Ų | 126.3 | 67% | 0.67 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -69.4 | -10.6 | 175.2 | -69.6 | 169.1 | 0 | 0 | 0 | 113.8 | S43 | S43-L45 VanDerWaalsContact C-N 3.28Å; S43-L45 PolarHBondContact O-N 3.22Å |
| 46 | Y | 48.1 | Very low | 51.2 | Low | 211 Ų | 211 | 120.8 Ų | 120.8 | 83% | 0.827 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -108.9 | 10.7 | -178.5 | -120.1 | -88.5 | 0 | 0 | 0 | 113.6 | S43 E44 P48 | S43-Y46 PolarHBondContact O-N 2.9Å; E44-Y46 PolarHBondContact O-N 3.44Å; Y46-P48 VanDerWaalsContact O-CD 3.31Å; Y46-P48 WeakPolarHBondContact O-CD 3.31Å |
| 47 | R | 47.4 | Very low | 50 | Low | 146 Ų | 146 | 120 Ų | 120 | 55% | 0.551 | 70% | 0.697 | S | S | * | * | trans | -71 | 121.5 | 174.9 | -93.1 | -171.8 | 177.1 | -152.8 | -2.4 | 110.7 | E44 S49 F50 | E44-R47 PolarHBondContact O-N 3.41Å; E44-R47 IonicContact OE1-CZ 3.91Å; E44-R47 IonicContact OE1-NE 3.4Å; E44-R47 PolarHBondContact OE1-NE 3.35Å; R47-S49 PolarHBondContact O-N 3.12Å; R47-F50 HydrophobicContact CB-CD2 4.12Å; R47-F50 HydrophobicContact CB-CE2 4.43Å; R47-F50 PolarHBondContact O-N 3.39Å | ||
| 48 | P | 48.1 | Very low | 48.7 | Very low | 108 Ų | 108 | 120 Ų | 120 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -65.8 | -3.3 | 177.1 | -17.8 | 30.3 | 0 | 0 | 0 | 114.6 | Y46 F50 V51 | Y46-P48 VanDerWaalsContact O-CD 3.31Å; Y46-P48 WeakPolarHBondContact O-CD 3.31Å; P48-F50 VanDerWaalsContact C-N 3.3Å; P48-V51 WeakPolarHBondContact O-CG2 3.27Å |
| 49 | S | 47.7 | Very low | 47.5 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -80.8 | -8.9 | 177.9 | -56.8 | 0 | 0 | 0 | 0 | 113.6 | R47 | R47-S49 PolarHBondContact O-N 3.12Š|
| 50 | F | 44.4 | Very low | 46.5 | Very low | 155 Ų | 155 | 121.6 Ų | 121.6 | 68% | 0.68 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -98.6 | 2.6 | 177.2 | -69.9 | -74.4 | 0 | 0 | 0 | 114.3 | R47 P48 H52 | R47-F50 HydrophobicContact CB-CD2 4.12Å; R47-F50 HydrophobicContact CB-CE2 4.43Å; R47-F50 PolarHBondContact O-N 3.39Å; P48-F50 VanDerWaalsContact C-N 3.3Å; F50-H52 PolarHBondContact O-N 3.28Å |
| 51 | V | 43 | Very low | 45.4 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 70% | 0.703 | 72% | 0.716 | S | S | * | * | trans | -72.8 | 95.7 | 167.4 | -97 | 0 | 0 | 0 | 0 | 108.8 | P48 | P48-V51 WeakPolarHBondContact O-CG2 3.27Š| ||
| 52 | H | 41.3 | Very low | 44.6 | Very low | 170 Ų | 170 | 126.6 Ų | 126.6 | 79% | 0.787 | 72% | 0.719 | S | S | * | * | trans | -54.3 | 128.6 | 163.7 | -100.4 | -145.4 | 0 | 0 | 0 | 109.5 | F50 G54 | F50-H52 PolarHBondContact O-N 3.28Å; H52-G54 PolarHBondContact O-N 3.37Å | ||
| 53 | P | 40 | Very low | 44.1 | Very low | 123 Ų | 123 | 120 Ų | 120 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | trans | -66.1 | 120.3 | 169.6 | -5.2 | 19.5 | 0 | 0 | 0 | 108.3 | A55 | P53-A55 PolarHBondContact O-N 2.66Š| ||
| 54 | G | 47.7 | Very low | 43.6 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 87% | 0.866 | 71% | 0.708 | S | S | * | * | trans | 24.4 | 80.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | H52 | H52-G54 PolarHBondContact O-N 3.37Š| ||
| 55 | A | 34.1 | Very low | 43.2 | Very low | 66 Ų | 66 | 122.2 Ų | 122.2 | 55% | 0.545 | 72% | 0.719 | S | S | . | * | trans | -107.3 | 106.8 | 155.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | P53 T57 | P53-A55 PolarHBondContact O-N 2.66Å; A55-T57 VanDerWaalsContact C-N 3.29Å; A55-T57 HydrophobicContact CB-CG2 4.4Å; A55-T57 PolarHBondContact O-N 2.99Å | ||
| 56 | A | 46.3 | Very low | 43.3 | Very low | 108 Ų | 108 | 118.9 Ų | 118.9 | 89% | 0.893 | 71% | 0.706 | S | S | * | * | trans | -60.5 | 92.4 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 57 | T | 36.3 | Very low | 43.8 | Very low | 112 Ų | 112 | 109.9 Ų | 109.9 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | trans | -137.7 | 102.2 | 172.9 | 56.2 | 0 | 0 | 0 | 0 | 110.3 | A55 | A55-T57 VanDerWaalsContact C-N 3.29Å; A55-T57 HydrophobicContact CB-CG2 4.4Å; A55-T57 PolarHBondContact O-N 2.99Å | ||
| 58 | V | 36.5 | Very low | 44.4 | Very low | 136 Ų | 136 | 105.2 Ų | 105.2 | 82% | 0.824 | 67% | 0.669 | S | S | * | * | trans | -9.5 | 164.1 | 147.9 | -69.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 59 | P | 43 | Very low | 44.9 | Very low | 103 Ų | 103 | 103.8 Ų | 103.8 | 67% | 0.669 | 66% | 0.662 | S | S | * | * | cis | -116.5 | 160.4 | -49.2 | 33.9 | -19.6 | 0 | 0 | 0 | 110.3 | M61 | P59-M61 PolarHBondContact O-N 3.36Š| ||
| 60 | T | 41.3 | Very low | 45.6 | Very low | 121 Ų | 121 | 103.3 Ų | 103.3 | 74% | 0.742 | 65% | 0.651 | S | S | * | * | trans | -54.5 | 105 | 162.4 | -90.3 | 0 | 0 | 0 | 0 | 108.2 | S62 | T60-S62 WeakPolarHBondContact CG2-OG 3.15Å; T60-S62 PolarHBondContact O-N 2.9Å | ||
| 61 | M | 38.4 | Very low | 46.2 | Very low | 183 Ų | 183 | 101.9 Ų | 101.9 | 90% | 0.901 | 64% | 0.642 | S | S | * | * | trans | -73 | 67.7 | 162.2 | -82.1 | -165.3 | 163.7 | 0 | 0 | 107.9 | P59 A63 | P59-M61 PolarHBondContact O-N 3.36Å; M61-A63 PolarHBondContact O-N 3.38Å | ||
| 62 | S | 42.2 | Very low | 46.9 | Very low | 83 Ų | 83 | 101.5 Ų | 101.5 | 58% | 0.58 | 64% | 0.635 | S | S | * | * | trans | -65.8 | 120.8 | 148.3 | -69 | 0 | 0 | 0 | 0 | 104.6 | T60 A64 | T60-S62 WeakPolarHBondContact CG2-OG 3.15Å; T60-S62 PolarHBondContact O-N 2.9Å; S62-A64 PolarHBondContact O-N 2.95Å | ||
| 63 | A | 38.3 | Very low | 47.3 | Very low | 69 Ų | 69 | 97.2 Ų | 97.2 | 57% | 0.57 | 62% | 0.622 | S | S | * | * | trans | -44.3 | 118 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | M61 F65 | M61-A63 PolarHBondContact O-N 3.38Å; A63-F65 HydrophobicContact CB-CD2 4.13Å; A63-F65 HydrophobicContact CB-CE2 3.85Å; A63-F65 WeakPolarHBondContact O-CD2 3.12Å; A63-F65 PolarHBondContact O-N 3.36Å | ||
| 64 | A | 44.3 | Very low | 48.2 | Very low | 83 Ų | 83 | 95.5 Ų | 95.5 | 69% | 0.686 | 61% | 0.605 | S | S | * | * | trans | -70.6 | 75.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | S62 P66 | S62-A64 PolarHBondContact O-N 2.95Å; A64-P66 WeakPolarHBondContact O-CD 3.4Å | ||
| 65 | F | 46.2 | Very low | 48.7 | Very low | 155 Ų | 155 | 94.6 Ų | 94.6 | 68% | 0.68 | 59% | 0.589 | S | S | * | * | trans | -62.7 | 122.4 | 164.3 | -74.9 | -79.6 | 0 | 0 | 0 | 106.2 | A63 G67 A68 | A63-F65 HydrophobicContact CB-CD2 4.13Å; A63-F65 HydrophobicContact CB-CE2 3.85Å; A63-F65 WeakPolarHBondContact O-CD2 3.12Å; A63-F65 PolarHBondContact O-N 3.36Å; F65-G67 PolarHBondContact O-N 2.89Å; F65-G67 VanDerWaalsContact O-N 3.08Å; F65-A68 WeakPolarHBondContact O-CB 3.21Å; F65-A68 PolarHBondContact O-N 3.35Å | ||
| 66 | P | 53.9 | Low | 49.4 | Very low | 59 Ų | 59 | 95 Ų | 95 | 38% | 0.383 | 58% | 0.58 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.8 | 119.2 | 178.1 | -22.8 | 32.3 | 0 | 0 | 0 | 109.5 | A64 Y98 V104 | A64-P66 WeakPolarHBondContact O-CD 3.4Å; P66-Y98 HydrophobicContact CB-CD1 4.32Å; P66-V104 HydrophobicContact CB-CG2 3.78Å |
| 67 | G | 58.6 | Low | 49.7 | Very low | 22 Ų | 22 | 95.5 Ų | 95.5 | 23% | 0.227 | 58% | 0.577 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 94.2 | 13.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.9 | F65 S69 Y98 | F65-G67 PolarHBondContact O-N 2.89Å; F65-G67 VanDerWaalsContact O-N 3.08Å; G67-S69 PolarHBondContact O-N 3.23Å; G67-Y98 VanDerWaalsContact N-CE1 3.34Å |
| 68 | A | 60.8 | Low | 50.4 | Low | 47 Ų | 47 | 94.5 Ų | 94.5 | 39% | 0.388 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -64.9 | 127.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F65 L70 | F65-A68 WeakPolarHBondContact O-CB 3.21Å; F65-A68 PolarHBondContact O-N 3.35Å; A68-L70 PolarHBondContact O-N 3.21Å |
| 69 | S | 58.9 | Low | 51 | Low | 79 Ų | 79 | 93.4 Ų | 93.4 | 55% | 0.552 | 58% | 0.575 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.8 | 123.6 | 171.2 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | G67 | G67-S69 PolarHBondContact O-N 3.23Å |
| 70 | L | 62.2 | Low | 51.2 | Low | 95 Ų | 95 | 92.8 Ų | 92.8 | 50% | 0.497 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 142.6 | 171.9 | -70.6 | 164.5 | 0 | 0 | 0 | 109.1 | A68 V94 I97 | A68-L70 PolarHBondContact O-N 3.21Å; L70-V94 HydrophobicContact CB-CG1 3.73Å; L70-V94 WeakPolarHBondContact O-CA 3.45Å; L70-V94 WeakPolarHBondContact O-CB 3.33Å; L70-V94 PolarHBondContact O-N 2.98Å; L70-I97 HydrophobicContact CD1-CD1 3.75Å |
| 71 | Y | 57.6 | Low | 51.7 | Low | 126 Ų | 126 | 89.4 Ų | 89.4 | 49% | 0.494 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.1 | 177 | -153 | -131.5 | 0 | 0 | 0 | 108.9 | Y91 Y92 P93 | Y71-Y91 AromaticContact CD1-CD1 3.1Å; Y71-Y91 HydrophobicContact CD1-CD1 3.1Å; Y71-Y91 AromaticContact CD1-CE1 3.82Å; Y71-Y91 HydrophobicContact CD1-CE1 3.82Å; Y71-Y91 AromaticContact CD1-CG 3.6Å; Y71-Y91 HydrophobicContact CD1-CG 3.6Å; Y71-Y91 AromaticContact CE1-CD1 3.13Å; Y71-Y91 HydrophobicContact CE1-CD1 3.13Å; Y71-Y91 AromaticContact CE1-CD2 3.89Å; Y71-Y91 HydrophobicContact CE1-CD2 3.89Å; Y71-Y91 HydrophobicContact CE1-CE1 4.08Å; Y71-Y91 AromaticContact CE1-CG 3.02Å; Y71-Y91 HydrophobicContact CE1-CG 3.02Å; Y71-Y91 WeakPolarHBondContact CE2-O 3.5Å; Y71-Y91 HydrophobicContact CG-CD1 4.26Å; Y71-Y91 AromaticContact CZ-CG 3.87Å; Y71-Y91 WeakPolarHBondContact OH-CB 3.42Å; Y71-Y91 PolarHBondContact OH-O 3.17Å; Y71-Y92 WeakPolarHBondContact CD2-O 3.1Å; Y71-Y92 WeakPolarHBondContact CE2-O 3.21Å; Y71-P93 HydrophobicContact CD2-CB 4.44Å; Y71-P93 HydrophobicContact CE2-CB 4.36Å; Y71-P93 VanDerWaalsContact CE2-N 3.32Å |
| 72 | L | 56.3 | Low | 52.2 | Low | 108 Ų | 108 | 87.3 Ų | 87.3 | 57% | 0.565 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 120 | 180 | -76.8 | 158 | 0 | 0 | 0 | 109.1 | M74 Y92 V94 | L72-M74 PolarHBondContact O-N 3.23Å; L72-Y92 PolarHBondContact N-O 3.27Å; L72-Y92 PolarHBondContact O-N 3.24Å; L72-V94 HydrophobicContact CD1-CB 4.36Å; L72-V94 HydrophobicContact CD1-CG2 3.66Å |
| 73 | P | 50.6 | Low | 52.4 | Low | 80 Ų | 80 | 90 Ų | 90 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.4 | 122 | 170.2 | 28.2 | -30 | 0 | 0 | 0 | 109.2 | Y91 | P73-Y91 HydrophobicContact CB-CD1 4.21Å; P73-Y91 HydrophobicContact CB-CE1 3.85Å |
| 74 | M | 59.7 | Low | 53.2 | Low | 86 Ų | 86 | 91.3 Ų | 91.3 | 42% | 0.424 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.9 | 115.7 | 167.9 | 135.9 | 169.9 | 165.6 | 0 | 0 | 107.7 | L72 Q76 A90 Y92 | L72-M74 PolarHBondContact O-N 3.23Å; M74-Q76 HydrophobicContact CE-CG 3.74Å; M74-Q76 HydrophobicContact CG-CG 4.5Å; M74-Q76 PolarHBondContact O-N 2.9Å; M74-A90 PolarHBondContact N-O 3.21Å; M74-A90 PolarHBondContact O-N 3.41Å; M74-Y92 HydrophobicContact SD-CE2 4.04Å |
| 75 | A | 58 | Low | 53.2 | Low | 66 Ų | 66 | 90.9 Ų | 90.9 | 55% | 0.545 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.5 | 114.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | S77 M89 | A75-S77 PolarHBondContact O-N 2.93Å; A75-S77 VanDerWaalsContact O-N 3.09Å; A75-M89 HydrophobicContact CB-SD 4.28Å |
| 76 | Q | 48.7 | Very low | 53.6 | Low | 73 Ų | 73 | 90.3 Ų | 90.3 | 34% | 0.341 | 59% | 0.588 | S | S | . | * | trans | -71.2 | 103.7 | 169.4 | -71.8 | -173.6 | -42.3 | 0 | 0 | 107.8 | M74 V78 I87 A90 | M74-Q76 HydrophobicContact CE-CG 3.74Å; M74-Q76 HydrophobicContact CG-CG 4.5Å; M74-Q76 PolarHBondContact O-N 2.9Å; Q76-V78 VanDerWaalsContact C-N 3.26Å; Q76-V78 PolarHBondContact O-N 3.32Å; Q76-I87 VanDerWaalsContact O-CG2 3.27Å; Q76-I87 WeakPolarHBondContact O-CG2 3.47Å; Q76-A90 HydrophobicContact CG-CB 4.15Å | ||
| 77 | S | 52.3 | Low | 53.6 | Low | 120 Ų | 120 | 91.3 Ų | 91.3 | 84% | 0.839 | 59% | 0.589 | S | S | * | * | trans | -73.8 | 83.2 | 172.4 | 61.2 | 0 | 0 | 0 | 0 | 109.2 | A75 | A75-S77 PolarHBondContact O-N 2.93Å; A75-S77 VanDerWaalsContact O-N 3.09Å | ||
| 78 | V | 50.5 | Low | 53.3 | Low | 90 Ų | 90 | 94 Ų | 94 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | trans | -84.6 | 117.7 | 162.2 | -79.2 | 0 | 0 | 0 | 0 | 107.6 | Q76 V80 | Q76-V78 VanDerWaalsContact C-N 3.26Å; Q76-V78 PolarHBondContact O-N 3.32Å; V78-V80 HydrophobicContact CB-CG2 4.09Å; V78-V80 HydrophobicContact CG2-CG2 4.21Å; V78-V80 PolarHBondContact O-N 3.49Å | ||
| 79 | A | 50.1 | Low | 53.4 | Low | 113 Ų | 113 | 96.5 Ų | 96.5 | 93% | 0.934 | 61% | 0.607 | S | S | * | * | trans | -70.3 | 82.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 80 | V | 45.8 | Very low | 53.7 | Low | 90 Ų | 90 | 93.7 Ų | 93.7 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | trans | -105.5 | 126 | 175.1 | 169.6 | 0 | 0 | 0 | 0 | 107.3 | V78 | V78-V80 HydrophobicContact CB-CG2 4.09Å; V78-V80 HydrophobicContact CG2-CG2 4.21Å; V78-V80 PolarHBondContact O-N 3.49Å | ||
| 81 | G | 53.3 | Low | 53.6 | Low | 51 Ų | 51 | 95 Ų | 95 | 53% | 0.526 | 59% | 0.588 | S | S | . | * | trans | -58.5 | -178.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L83 | G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 2.67Å | ||
| 82 | P | 48.3 | Very low | 53.8 | Low | 139 Ų | 139 | 95.5 Ų | 95.5 | 90% | 0.903 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -69 | 83.6 | -161.8 | 29.9 | -35.4 | 0 | 0 | 0 | 112.1 | ||
| 83 | L | 46 | Very low | 53.9 | Low | 140 Ų | 140 | 95.2 Ų | 95.2 | 73% | 0.733 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -140.2 | 123.4 | 169.3 | -67.9 | 173.6 | 0 | 0 | 0 | 106 | G81 S85 | G81-L83 VanDerWaalsContact C-N 3.32Å; G81-L83 PolarHBondContact O-N 2.67Å; L83-S85 PolarHBondContact O-N 3.3Å; L83-S85 PolarHBondContact O-OG 2.94Å |
| 84 | G | 54.3 | Low | 54.8 | Low | 95 Ų | 95 | 93.7 Ų | 93.7 | 98% | 0.979 | 58% | 0.583 | S | S | * | * | trans | -52.6 | 114.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 85 | S | 44.6 | Very low | 55.2 | Low | 74 Ų | 74 | 93.9 Ų | 93.9 | 52% | 0.517 | 59% | 0.593 | S | S | . | * | trans | -138 | 110.3 | -172.3 | 48.5 | 0 | 0 | 0 | 0 | 110.5 | L83 I87 | L83-S85 PolarHBondContact O-N 3.3Å; L83-S85 PolarHBondContact O-OG 2.94Å; S85-I87 PolarHBondContact O-N 2.86Å | ||
| 86 | T | 54.3 | Low | 55.9 | Low | 144 Ų | 144 | 92.3 Ų | 92.3 | 88% | 0.883 | 58% | 0.577 | S | S | * | * | trans | -54 | 105 | 155.8 | -62.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 87 | I | 54.2 | Low | 57 | Low | 79 Ų | 79 | 92.9 Ų | 92.9 | 41% | 0.405 | 58% | 0.582 | S | S | . | * | trans | -63.9 | 125.6 | 176.8 | -58.6 | -170.3 | 0 | 0 | 0 | 107.5 | Q76 S85 M89 | Q76-I87 VanDerWaalsContact O-CG2 3.27Å; Q76-I87 WeakPolarHBondContact O-CG2 3.47Å; S85-I87 PolarHBondContact O-N 2.86Å; I87-M89 PolarHBondContact O-N 3.49Å; I87-M89 VanDerWaalsContact O-N 3.12Å | ||
| 88 | P | 53.3 | Low | 58.2 | Low | 78 Ų | 78 | 87.9 Ų | 87.9 | 51% | 0.506 | 55% | 0.545 | S | S | . | . | trans | -63.6 | 116.2 | 173.6 | 24.6 | -30.7 | 0 | 0 | 0 | 108.9 | A90 | P88-A90 PolarHBondContact O-N 3.06Š| ||
| 89 | M | 63.5 | Low | 59.3 | Low | 101 Ų | 101 | 86.3 Ų | 86.3 | 50% | 0.498 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 115.7 | 173.6 | -77.2 | -65.6 | -152.5 | 0 | 0 | 108.9 | A75 I87 Y91 | A75-M89 HydrophobicContact CB-SD 4.28Å; I87-M89 PolarHBondContact O-N 3.49Å; I87-M89 VanDerWaalsContact O-N 3.12Å; M89-Y91 HydrophobicContact CB-CD2 4.29Å; M89-Y91 HydrophobicContact CB-CE2 3.96Å; M89-Y91 WeakPolarHBondContact O-CD2 3.19Å |
| 90 | A | 64.4 | Low | 60.3 | Low | 19 Ų | 19 | 86.6 Ų | 86.6 | 16% | 0.157 | 53% | 0.529 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 153.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | M74 Q76 P88 Y92 | M74-A90 PolarHBondContact N-O 3.21Å; M74-A90 PolarHBondContact O-N 3.41Å; Q76-A90 HydrophobicContact CG-CB 4.15Å; P88-A90 PolarHBondContact O-N 3.06Å; A90-Y92 HydrophobicContact CB-CE2 4.29Å |
| 91 | Y | 59.8 | Low | 61.6 | Low | 122 Ų | 122 | 84.9 Ų | 84.9 | 48% | 0.478 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 104.2 | -141.4 | -113 | -26.1 | 0 | 0 | 0 | 102.1 | Y71 P73 M89 | Y71-Y91 AromaticContact CD1-CD1 3.1Å; Y71-Y91 HydrophobicContact CD1-CD1 3.1Å; Y71-Y91 AromaticContact CD1-CE1 3.82Å; Y71-Y91 HydrophobicContact CD1-CE1 3.82Å; Y71-Y91 AromaticContact CD1-CG 3.6Å; Y71-Y91 HydrophobicContact CD1-CG 3.6Å; Y71-Y91 AromaticContact CE1-CD1 3.13Å; Y71-Y91 HydrophobicContact CE1-CD1 3.13Å; Y71-Y91 AromaticContact CE1-CD2 3.89Å; Y71-Y91 HydrophobicContact CE1-CD2 3.89Å; Y71-Y91 HydrophobicContact CE1-CE1 4.08Å; Y71-Y91 AromaticContact CE1-CG 3.02Å; Y71-Y91 HydrophobicContact CE1-CG 3.02Å; Y71-Y91 WeakPolarHBondContact CE2-O 3.5Å; Y71-Y91 HydrophobicContact CG-CD1 4.26Å; Y71-Y91 AromaticContact CZ-CG 3.87Å; Y71-Y91 WeakPolarHBondContact OH-CB 3.42Å; Y71-Y91 PolarHBondContact OH-O 3.17Å; P73-Y91 HydrophobicContact CB-CD1 4.21Å; P73-Y91 HydrophobicContact CB-CE1 3.85Å; M89-Y91 HydrophobicContact CB-CD2 4.29Å; M89-Y91 HydrophobicContact CB-CE2 3.96Å; M89-Y91 WeakPolarHBondContact O-CD2 3.19Å |
| 92 | Y | 61.2 | Low | 62.7 | Low | 138 Ų | 138 | 83.5 Ų | 83.5 | 54% | 0.541 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.1 | -171.5 | -73.4 | -80.9 | 0 | 0 | 0 | 110.8 | Y71 L72 M74 A90 V94 | Y71-Y92 WeakPolarHBondContact CD2-O 3.1Å; Y71-Y92 WeakPolarHBondContact CE2-O 3.21Å; L72-Y92 PolarHBondContact N-O 3.27Å; L72-Y92 PolarHBondContact O-N 3.24Å; M74-Y92 HydrophobicContact SD-CE2 4.04Å; A90-Y92 HydrophobicContact CB-CE2 4.29Å; Y92-V94 PolarHBondContact O-N 3.34Å |
| 93 | P | 60 | Low | 64.1 | Low | 102 Ų | 102 | 81 Ų | 81 | 66% | 0.662 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 120.7 | 176.8 | 29.6 | -32.2 | 0 | 0 | 0 | 109.3 | Y71 | Y71-P93 HydrophobicContact CD2-CB 4.44Å; Y71-P93 HydrophobicContact CE2-CB 4.36Å; Y71-P93 VanDerWaalsContact CE2-N 3.32Å |
| 94 | V | 68.3 | Low | 65.7 | Low | 47 Ų | 47 | 74.7 Ų | 74.7 | 29% | 0.285 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 144.7 | 165.2 | 122.4 | 0 | 0 | 0 | 0 | 108.6 | L70 L72 Y92 I97 | L70-V94 HydrophobicContact CB-CG1 3.73Å; L70-V94 WeakPolarHBondContact O-CA 3.45Å; L70-V94 WeakPolarHBondContact O-CB 3.33Å; L70-V94 PolarHBondContact O-N 2.98Å; L72-V94 HydrophobicContact CD1-CB 4.36Å; L72-V94 HydrophobicContact CD1-CG2 3.66Å; Y92-V94 PolarHBondContact O-N 3.34Å; V94-I97 HydrophobicContact CG1-CD1 4.11Å |
| 95 | S | 68.6 | Low | 67 | Low | 90 Ų | 90 | 75.7 Ų | 75.7 | 63% | 0.629 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 152.4 | 176.8 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | I97 | S95-I97 PolarHBondContact O-N 3.45Å |
| 96 | P | 71.6 | Confident | 68.7 | Low | 33 Ų | 33 | 73.6 Ų | 73.6 | 21% | 0.214 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 130 | 176.7 | -26.6 | 34.6 | 0 | 0 | 0 | 111.8 | Y98 Q143 | P96-Y98 HydrophobicContact CB-CE2 4.05Å; P96-Q143 PolarHBondContact O-NE2 3.4Å |
| 97 | I | 72.5 | Confident | 69.9 | Low | 86 Ų | 86 | 74.7 Ų | 74.7 | 44% | 0.441 | 42% | 0.422 | S | S | . | . | trans | -105.5 | 126.6 | 173.2 | -74.9 | 162.7 | 0 | 0 | 0 | 108.6 | L70 V94 S95 | L70-I97 HydrophobicContact CD1-CD1 3.75Å; V94-I97 HydrophobicContact CG1-CD1 4.11Å; S95-I97 PolarHBondContact O-N 3.45Å | ||
| 98 | Y | 77.9 | Confident | 71 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 6% | 0.059 | 42% | 0.418 | C | S | . | . | trans | -106.1 | 109.7 | 174.7 | -59.1 | -79 | 0 | 0 | 0 | 107.5 | P66 G67 P96 V104 L139 A140 | P66-Y98 HydrophobicContact CB-CD1 4.32Å; G67-Y98 VanDerWaalsContact N-CE1 3.34Å; P96-Y98 HydrophobicContact CB-CE2 4.05Å; Y98-V104 HydrophobicContact CD1-CG2 3.28Å; Y98-V104 HydrophobicContact CE1-CB 4.48Å; Y98-V104 HydrophobicContact CE1-CG1 4.02Å; Y98-V104 HydrophobicContact CE1-CG2 3.58Å; Y98-V104 HydrophobicContact CG-CG2 4.2Å; Y98-L139 HydrophobicContact CE2-CB 4.01Å; Y98-A140 HydrophobicContact CD1-CB 4.05Å; Y98-A140 VanDerWaalsContact CD2-CA 3.49Å; Y98-A140 HydrophobicContact CD2-CB 3.9Å; Y98-A140 HydrophobicContact CE1-CB 4.04Å; Y98-A140 HydrophobicContact CE2-CB 3.92Å; Y98-A140 HydrophobicContact CG-CB 3.96Å | ||
| 99 | P | 74 | Confident | 72.2 | Confident | 56 Ų | 56 | 71 Ų | 71 | 36% | 0.364 | 42% | 0.419 | S | S | . | . | trans | -56.1 | 140.9 | 177.7 | -25.6 | 34.4 | 0 | 0 | 0 | 111.4 | G101 S102 | P99-G101 PolarHBondContact O-N 2.97Å; P99-S102 WeakPolarHBondContact O-CB 3.35Å; P99-S102 PolarHBondContact O-N 3.3Å; P99-S102 PolarHBondContact O-OG 3.4Å | ||
| 100 | P | 70.6 | Confident | 72.8 | Confident | 120 Ų | 120 | 67.9 Ų | 67.9 | 78% | 0.779 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 132.5 | 176.2 | -25.7 | 34 | 0 | 0 | 0 | 111.5 | S102 | P100-S102 VanDerWaalsContact C-N 3.25Å; P100-S102 PolarHBondContact O-N 3.45Å |
| 101 | G | 72.2 | Confident | 73.5 | Confident | 54 Ų | 54 | 70.7 Ų | 70.7 | 56% | 0.557 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | -0.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | P99 G144 | P99-G101 PolarHBondContact O-N 2.97Å; G101-G144 PolarHBondContact N-O 3.04Å |
| 102 | S | 76.9 | Confident | 74.1 | Confident | 21 Ų | 21 | 65.2 Ų | 65.2 | 15% | 0.147 | 39% | 0.394 | C | S | . | . | trans | -65 | 153.7 | 170.8 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | P99 P100 A145 N146 | P99-S102 WeakPolarHBondContact O-CB 3.35Å; P99-S102 PolarHBondContact O-N 3.3Å; P99-S102 PolarHBondContact O-OG 3.4Å; P100-S102 VanDerWaalsContact C-N 3.25Å; P100-S102 PolarHBondContact O-N 3.45Å; S102-A145 CarbonylContact O-C 3.58Å; S102-A145 WeakPolarHBondContact O-CA 3.37Å; S102-A145 WeakPolarHBondContact OG-CB 3.44Å; S102-N146 PolarHBondContact O-N 3.15Å | ||
| 103 | T | 77.4 | Confident | 74.6 | Confident | 86 Ų | 86 | 59.9 Ų | 59.9 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.6 | 171.4 | 32.8 | 0 | 0 | 0 | 0 | 110.5 | N146 L148 | T103-N146 CarbonylContact C-O 3.55Å; T103-N146 VanDerWaalsContact CA-O 3.24Å; T103-N146 WeakPolarHBondContact CA-O 3.44Å; T103-N146 HydrophobicContact CG2-CB 3.64Å; T103-L148 HydrophobicContact CG2-CD1 4.36Å |
| 104 | V | 79.2 | Confident | 75.3 | Confident | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.5 | 177.8 | 180 | 0 | 0 | 0 | 0 | 108.9 | P66 Y98 V106 A140 A145 N146 V147 L148 | P66-V104 HydrophobicContact CB-CG2 3.78Å; Y98-V104 HydrophobicContact CD1-CG2 3.28Å; Y98-V104 HydrophobicContact CE1-CB 4.48Å; Y98-V104 HydrophobicContact CE1-CG1 4.02Å; Y98-V104 HydrophobicContact CE1-CG2 3.58Å; Y98-V104 HydrophobicContact CG-CG2 4.2Å; V104-V106 HydrophobicContact CG1-CG2 4.01Å; V104-A140 HydrophobicContact CB-CB 4.09Å; V104-A140 HydrophobicContact CG1-CB 4.19Å; V104-A140 HydrophobicContact CG2-CB 3.79Å; V104-A145 HydrophobicContact CG2-CB 3.99Å; V104-N146 PolarHBondContact N-O 2.88Å; V104-V147 HydrophobicContact CB-CG2 4.45Å; V104-V147 CarbonylContact O-C 3.59Å; V104-V147 WeakPolarHBondContact O-CA 3.36Å; V104-L148 PolarHBondContact O-N 2.58Å |
| 105 | L | 82.4 | Confident | 75.4 | Confident | 116 Ų | 116 | 61.7 Ų | 61.7 | 61% | 0.607 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.7 | 172.3 | -172.4 | 143.2 | 0 | 0 | 0 | 109.7 | E107 L148 | L105-E107 HydrophobicContact CD2-CB 4.26Å; L105-L148 CarbonylContact C-O 3.48Å; L105-L148 VanDerWaalsContact CA-O 3.28Å; L105-L148 WeakPolarHBondContact CA-O 3.42Å |
| 106 | V | 80 | Confident | 75.5 | Confident | 29 Ų | 29 | 61.5 Ų | 61.5 | 18% | 0.176 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 107.1 | 174.8 | -176 | 0 | 0 | 0 | 0 | 108.3 | V104 A137 V147 L148 V149 T150 | V104-V106 HydrophobicContact CG1-CG2 4.01Å; V106-A137 HydrophobicContact CG1-CB 4.48Å; V106-A137 HydrophobicContact CG2-CB 3.92Å; V106-V147 HydrophobicContact CG2-CG1 3.93Å; V106-L148 PolarHBondContact N-O 2.9Å; V106-V149 HydrophobicContact CB-CB 4.44Å; V106-V149 HydrophobicContact CB-CG1 4.27Å; V106-V149 HydrophobicContact CB-CG2 3.93Å; V106-V149 HydrophobicContact CG1-CG1 4.46Å; V106-V149 HydrophobicContact CG2-CG2 4.34Å; V106-V149 CarbonylContact O-C 3.49Å; V106-V149 VanDerWaalsContact O-CA 3.29Å; V106-V149 WeakPolarHBondContact O-CA 3.5Å; V106-T150 PolarHBondContact O-N 2.99Å |
| 107 | E | 79.8 | Confident | 75.3 | Confident | 167 Ų | 167 | 62.6 Ų | 62.6 | 78% | 0.78 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 133.7 | -178.3 | -164.3 | 175.4 | 172.2 | 0 | 0 | 111.3 | L105 G109 T150 | L105-E107 HydrophobicContact CD2-CB 4.26Å; E107-G109 PolarHBondContact O-N 3.01Å; E107-T150 VanDerWaalsContact CA-OG1 3.27Å; E107-T150 WeakPolarHBondContact CA-OG1 3.5Å; E107-T150 WeakPolarHBondContact CG-OG1 3.39Å |
| 108 | G | 78.1 | Confident | 74.2 | Confident | 31 Ų | 31 | 64.2 Ų | 64.2 | 32% | 0.32 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 67.3 | 15 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y110 T150 | G108-Y110 VanDerWaalsContact C-N 3.26Å; G108-Y110 PolarHBondContact O-N 3.08Å; G108-T150 CarbonylContact C-O 3.34Å; G108-T150 VanDerWaalsContact CA-O 3.31Å; G108-T150 WeakPolarHBondContact CA-O 3.27Å; G108-T150 PolarHBondContact N-O 3.11Å; G108-T150 PolarHBondContact N-OG1 3.09Å |
| 109 | G | 76.9 | Confident | 73.1 | Confident | 50 Ų | 50 | 66.8 Ų | 66.8 | 52% | 0.515 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | -17.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E107 V149 T150 | E107-G109 PolarHBondContact O-N 3.01Å; G109-V149 VanDerWaalsContact CA-CG1 3.45Å; G109-T150 PolarHBondContact N-O 2.97Å |
| 110 | Y | 77.6 | Confident | 72.2 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 13% | 0.133 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 150.8 | 171.5 | -68.8 | -61.6 | 0 | 0 | 0 | 112.3 | G108 A114 F116 V149 T150 R152 | G108-Y110 VanDerWaalsContact C-N 3.26Å; G108-Y110 PolarHBondContact O-N 3.08Å; Y110-A114 HydrophobicContact CG-CB 4.42Å; Y110-F116 HydrophobicContact CD1-CE1 4.08Å; Y110-F116 AromaticContact CD1-CZ 3.97Å; Y110-F116 HydrophobicContact CD1-CZ 3.97Å; Y110-F116 AromaticContact CD2-CE1 3.63Å; Y110-F116 HydrophobicContact CD2-CE1 3.63Å; Y110-F116 HydrophobicContact CD2-CE2 4.13Å; Y110-F116 AromaticContact CD2-CZ 3.15Å; Y110-F116 HydrophobicContact CD2-CZ 3.15Å; Y110-F116 AromaticContact CE1-CE1 3.89Å; Y110-F116 HydrophobicContact CE1-CE1 3.89Å; Y110-F116 HydrophobicContact CE1-CZ 4.24Å; Y110-F116 HydrophobicContact CE2-CD1 4.42Å; Y110-F116 AromaticContact CE2-CE1 3.33Å; Y110-F116 HydrophobicContact CE2-CE1 3.33Å; Y110-F116 HydrophobicContact CE2-CE2 4.48Å; Y110-F116 AromaticContact CE2-CZ 3.39Å; Y110-F116 HydrophobicContact CE2-CZ 3.39Å; Y110-F116 AromaticContact CG-CE1 3.97Å; Y110-F116 HydrophobicContact CG-CE1 3.97Å; Y110-F116 AromaticContact CG-CZ 3.45Å; Y110-F116 HydrophobicContact CG-CZ 3.45Å; Y110-F116 VanDerWaalsContact CG-CZ 3.45Å; Y110-F116 AromaticContact CZ-CE1 3.53Å; Y110-F116 AromaticContact CZ-CZ 3.98Å; Y110-V149 HydrophobicContact CD2-CB 3.65Å; Y110-V149 HydrophobicContact CD2-CG1 3.46Å; Y110-V149 VanDerWaalsContact CD2-CG1 3.46Å; Y110-V149 WeakPolarHBondContact CD2-O 3.29Å; Y110-V149 HydrophobicContact CE2-CB 3.38Å; Y110-V149 HydrophobicContact CE2-CG1 3.7Å; Y110-V149 HydrophobicContact CE2-CG2 4.39Å; Y110-V149 WeakPolarHBondContact CE2-O 3.31Å; Y110-V149 HydrophobicContact CG-CG1 3.97Å; Y110-T150 PolarHBondContact N-O 3.05Å; Y110-T150 VanDerWaalsContact N-O 3.14Å; Y110-R152 WeakPolarHBondContact O-CG 3.43Å; Y110-R152 PolarHBondContact O-N 2.79Å |
| 111 | D | 78.6 | Confident | 71.3 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 42% | 0.417 | 44% | 0.435 | S | S | . | . | trans | -57.5 | 153.7 | 168.3 | -172.7 | -94 | 0 | 0 | 0 | 111.3 | G113 A114 Q151 R152 | D111-G113 PolarHBondContact O-N 3Å; D111-G113 WeakPolarHBondContact OD1-CA 3.49Å; D111-G113 PolarHBondContact OD1-N 2.75Å; D111-A114 VanDerWaalsContact O-CB 3.29Å; D111-A114 WeakPolarHBondContact O-CB 3.24Å; D111-A114 PolarHBondContact O-N 2.9Å; D111-A114 VanDerWaalsContact O-N 3.09Å; D111-Q151 PolarHBondContact O-OE1 3.25Å; D111-Q151 VanDerWaalsContact O-OE1 3.11Å; D111-R152 IonicContact OD2-CZ 2.97Å; D111-R152 IonicContact OD2-NE 3.04Å; D111-R152 PolarHBondContact OD2-NE 2.71Å; D111-R152 IonicContact OD2-NH1 3.92Å; D111-R152 IonicContact OD2-NH2 2.63Å; D111-R152 PolarHBondContact OD2-NH2 3.4Å | ||
| 112 | A | 72.9 | Confident | 70.4 | Confident | 8 Ų | 8 | 66 Ų | 66 | 7% | 0.066 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -16.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q151 R152 S161 | A112-Q151 PolarHBondContact O-OE1 3.22Å; A112-R152 HydrophobicContact CB-CG 3.77Å; A112-R152 WeakPolarHBondContact CB-O 3.36Å; A112-S161 PolarHBondContact O-OG 2.86Å |
| 113 | G | 71.5 | Confident | 69.4 | Low | 26 Ų | 26 | 67.6 Ų | 67.6 | 27% | 0.268 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -1.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D111 R115 S161 | D111-G113 PolarHBondContact O-N 3Å; D111-G113 WeakPolarHBondContact OD1-CA 3.49Å; D111-G113 PolarHBondContact OD1-N 2.75Å; G113-R115 PolarHBondContact O-N 3.27Å; G113-R115 PolarHBondContact O-NH1 3.35Å; G113-R115 VanDerWaalsContact O-NH1 3.15Å; G113-S161 WeakPolarHBondContact CA-OG 3.47Å |
| 114 | A | 74.2 | Confident | 68.8 | Low | 22 Ų | 22 | 68.6 Ų | 68.6 | 18% | 0.182 | 45% | 0.45 | C | S | . | . | trans | -61.6 | 138.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y110 D111 F116 Q151 | Y110-A114 HydrophobicContact CG-CB 4.42Å; D111-A114 VanDerWaalsContact O-CB 3.29Å; D111-A114 WeakPolarHBondContact O-CB 3.24Å; D111-A114 PolarHBondContact O-N 2.9Å; D111-A114 VanDerWaalsContact O-N 3.09Å; A114-F116 HydrophobicContact CB-CE2 4.21Å; A114-F116 HydrophobicContact CB-CZ 3.77Å; A114-Q151 HydrophobicContact CB-CG 4.41Å; A114-Q151 PolarHBondContact O-NE2 3.11Å; A114-Q151 VanDerWaalsContact O-NE2 3.13Å; A114-Q151 PolarHBondContact O-OE1 2.85Å | ||
| 115 | R | 70.2 | Confident | 68.5 | Low | 165 Ų | 165 | 69.5 Ų | 69.5 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | trans | -118.1 | 125.4 | -180 | -61.9 | -65.3 | 177.2 | -102.7 | 2 | 109.1 | G113 S161 | G113-R115 PolarHBondContact O-N 3.27Å; G113-R115 PolarHBondContact O-NH1 3.35Å; G113-R115 VanDerWaalsContact O-NH1 3.15Å; R115-S161 PolarHBondContact NH1-OG 3.21Å; R115-S161 VanDerWaalsContact NH2-CB 3.33Å; R115-S161 PolarHBondContact NH2-OG 3.03Å | ||
| 116 | F | 72 | Confident | 68.1 | Low | 86 Ų | 86 | 68 Ų | 68 | 38% | 0.377 | 45% | 0.452 | S | S | . | . | trans | -105 | 105.9 | 176.3 | -52.7 | -71.1 | 0 | 0 | 0 | 107.2 | Y110 A114 A120 Q151 | Y110-F116 HydrophobicContact CD1-CE1 4.08Å; Y110-F116 AromaticContact CD1-CZ 3.97Å; Y110-F116 HydrophobicContact CD1-CZ 3.97Å; Y110-F116 AromaticContact CD2-CE1 3.63Å; Y110-F116 HydrophobicContact CD2-CE1 3.63Å; Y110-F116 HydrophobicContact CD2-CE2 4.13Å; Y110-F116 AromaticContact CD2-CZ 3.15Å; Y110-F116 HydrophobicContact CD2-CZ 3.15Å; Y110-F116 AromaticContact CE1-CE1 3.89Å; Y110-F116 HydrophobicContact CE1-CE1 3.89Å; Y110-F116 HydrophobicContact CE1-CZ 4.24Å; Y110-F116 HydrophobicContact CE2-CD1 4.42Å; Y110-F116 AromaticContact CE2-CE1 3.33Å; Y110-F116 HydrophobicContact CE2-CE1 3.33Å; Y110-F116 HydrophobicContact CE2-CE2 4.48Å; Y110-F116 AromaticContact CE2-CZ 3.39Å; Y110-F116 HydrophobicContact CE2-CZ 3.39Å; Y110-F116 AromaticContact CG-CE1 3.97Å; Y110-F116 HydrophobicContact CG-CE1 3.97Å; Y110-F116 AromaticContact CG-CZ 3.45Å; Y110-F116 HydrophobicContact CG-CZ 3.45Å; Y110-F116 VanDerWaalsContact CG-CZ 3.45Å; Y110-F116 AromaticContact CZ-CE1 3.53Å; Y110-F116 AromaticContact CZ-CZ 3.98Å; A114-F116 HydrophobicContact CB-CE2 4.21Å; A114-F116 HydrophobicContact CB-CZ 3.77Å; F116-A120 HydrophobicContact CB-CB 3.7Å; F116-A120 HydrophobicContact CD1-CB 4.28Å; F116-A120 HydrophobicContact CG-CB 4.49Å; F116-Q151 HydrophobicContact CE2-CG 3.73Å; F116-Q151 HydrophobicContact CZ-CG 4.25Å | ||
| 117 | G | 66.6 | Low | 67.8 | Low | 55 Ų | 55 | 71.9 Ų | 71.9 | 57% | 0.567 | 48% | 0.478 | S | S | * | . | trans | -68.9 | 166.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | G119 A120 | G117-G119 PolarHBondContact O-N 3.15Å; G117-A120 VanDerWaalsContact O-CB 3.31Å; G117-A120 WeakPolarHBondContact O-CB 3.36Å; G117-A120 PolarHBondContact O-N 2.84Å | ||
| 118 | A | 49.6 | Very low | 67.8 | Low | 121 Ų | 121 | 66.3 Ų | 66.3 | 100% | 1 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 109.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 119 | G | 54.1 | Low | 68 | Low | 69 Ų | 69 | 68.4 Ų | 68.4 | 71% | 0.711 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.4 | -0.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G117 T121 | G117-G119 PolarHBondContact O-N 3.15Å; G119-T121 VanDerWaalsContact C-N 3.27Å; G119-T121 PolarHBondContact O-N 3.17Å |
| 120 | A | 54.8 | Low | 68.3 | Low | 49 Ų | 49 | 72.5 Ų | 72.5 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | trans | -68.7 | 85.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | F116 G117 | F116-A120 HydrophobicContact CB-CB 3.7Å; F116-A120 HydrophobicContact CD1-CB 4.28Å; F116-A120 HydrophobicContact CG-CB 4.49Å; G117-A120 VanDerWaalsContact O-CB 3.31Å; G117-A120 WeakPolarHBondContact O-CB 3.36Å; G117-A120 PolarHBondContact O-N 2.84Å | ||
| 121 | T | 52.6 | Low | 68.6 | Low | 113 Ų | 113 | 75.1 Ų | 75.1 | 69% | 0.693 | 52% | 0.518 | S | S | * | . | trans | -70.6 | 167.9 | 171.5 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | G119 G123 | G119-T121 VanDerWaalsContact C-N 3.27Å; G119-T121 PolarHBondContact O-N 3.17Å; T121-G123 PolarHBondContact O-N 2.68Å | ||
| 122 | A | 52.6 | Low | 68.8 | Low | 51 Ų | 51 | 74.7 Ų | 74.7 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 18.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | V147 | A122-V147 WeakPolarHBondContact CB-O 3.29Š|
| 123 | G | 55.8 | Low | 69 | Low | 55 Ų | 55 | 79.8 Ų | 79.8 | 57% | 0.567 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.7 | 9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T121 I125 | T121-G123 PolarHBondContact O-N 2.68Å; G123-I125 PolarHBondContact O-N 2.8Å; G123-I125 VanDerWaalsContact O-N 3.17Å |
| 124 | N | 64.9 | Low | 69.5 | Low | 106 Ų | 106 | 80.9 Ų | 80.9 | 57% | 0.567 | 56% | 0.556 | S | S | * | * | trans | -82.9 | 22.3 | 176.9 | -147.2 | 76.6 | 0 | 0 | 0 | 113.4 | P126 | N124-P126 WeakPolarHBondContact O-CD 3.35Š| ||
| 125 | I | 73.8 | Confident | 69.8 | Low | 28 Ų | 28 | 83.9 Ų | 83.9 | 14% | 0.144 | 57% | 0.569 | C | S | . | * | trans | -76.1 | 114.7 | 173 | -53.3 | -59.8 | 0 | 0 | 0 | 107.2 | G123 A137 Q138 V141 V149 | G123-I125 PolarHBondContact O-N 2.8Å; G123-I125 VanDerWaalsContact O-N 3.17Å; I125-A137 HydrophobicContact CD1-CB 4.03Å; I125-A137 HydrophobicContact CG1-CB 4.45Å; I125-A137 HydrophobicContact CG2-CB 4.18Å; I125-Q138 HydrophobicContact CG2-CB 4.47Å; I125-Q138 HydrophobicContact CG2-CG 3.49Å; I125-Q138 VanDerWaalsContact CG2-CG 3.49Å; I125-V141 HydrophobicContact CB-CG2 4.35Å; I125-V141 HydrophobicContact CG1-CG2 3.94Å; I125-V149 HydrophobicContact CD1-CB 4.31Å; I125-V149 HydrophobicContact CD1-CG2 3.43Å; I125-V149 VanDerWaalsContact CD1-CG2 3.43Å | ||
| 126 | P | 73.3 | Confident | 70.2 | Confident | 86 Ų | 86 | 78.4 Ų | 78.4 | 56% | 0.558 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 150.8 | 179.6 | 27.3 | -33.8 | 0 | 0 | 0 | 110.1 | N124 Q138 | N124-P126 WeakPolarHBondContact O-CD 3.35Å; P126-Q138 PolarHBondContact O-NE2 2.92Å |
| 127 | P | 74.9 | Confident | 70.6 | Confident | 110 Ų | 110 | 74.5 Ų | 74.5 | 71% | 0.714 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 153.4 | 173.3 | 26.3 | -34 | 0 | 0 | 0 | 111 | ||
| 128 | P | 78.9 | Confident | 71.3 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 32% | 0.318 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 136.5 | 175.9 | -20.9 | 30.4 | 0 | 0 | 0 | 111.2 | P134 Q138 | P128-P134 HydrophobicContact CB-CB 4.47Å; P128-P134 HydrophobicContact CB-CG 4.33Å; P128-P134 HydrophobicContact CG-CB 3.88Å; P128-P134 HydrophobicContact CG-CG 3.86Å; P128-Q138 HydrophobicContact CG-CB 4.41Å; P128-Q138 HydrophobicContact CG-CG 4.4Å |
| 129 | P | 81.6 | Confident | 72.9 | Confident | 75 Ų | 75 | 69.2 Ų | 69.2 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 146.3 | 171.6 | -22.1 | 32.5 | 0 | 0 | 0 | 111.3 | G131 C132 | P129-G131 PolarHBondContact O-N 3Å; P129-C132 HydrophobicContact CB-CB 4.12Å; P129-C132 HydrophobicContact CG-CB 4.35Å; P129-C132 PolarHBondContact O-N 2.9Å |
| 130 | P | 83.4 | Confident | 74 | Confident | 136 Ų | 136 | 66 Ų | 66 | 88% | 0.883 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 128.1 | 175 | -25.5 | 34.6 | 0 | 0 | 0 | 111.7 | C132 | P130-C132 VanDerWaalsContact C-N 3.26Å; P130-C132 PolarHBondContact O-N 3.01Å |
| 131 | G | 84.1 | Confident | 75.2 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 92% | 0.918 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -5.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P129 | P129-G131 PolarHBondContact O-N 3Š|
| 132 | C | 82.3 | Confident | 76.6 | Confident | 69 Ų | 69 | 67.7 Ų | 67.7 | 47% | 0.466 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -97.7 | 134.2 | 172.8 | -66.3 | 0 | 0 | 0 | 0 | 110.6 | P129 P130 | P129-C132 HydrophobicContact CB-CB 4.12Å; P129-C132 HydrophobicContact CG-CB 4.35Å; P129-C132 PolarHBondContact O-N 2.9Å; P130-C132 VanDerWaalsContact C-N 3.26Å; P130-C132 PolarHBondContact O-N 3.01Å |
| 133 | P | 79.1 | Confident | 78 | Confident | 115 Ų | 115 | 68.3 Ų | 68.3 | 75% | 0.747 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 145.5 | 172.8 | 26.7 | -32.9 | 0 | 0 | 0 | 110.5 | ||
| 134 | P | 80.4 | Confident | 78.9 | Confident | 50 Ų | 50 | 68 Ų | 68 | 33% | 0.325 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 143 | 177.3 | -21.5 | 32 | 0 | 0 | 0 | 112.4 | P128 Q138 L139 | P128-P134 HydrophobicContact CB-CB 4.47Å; P128-P134 HydrophobicContact CB-CG 4.33Å; P128-P134 HydrophobicContact CG-CB 3.88Å; P128-P134 HydrophobicContact CG-CG 3.86Å; P134-Q138 VanDerWaalsContact CA-OE1 3.31Å; P134-Q138 HydrophobicContact CB-CB 3.99Å; P134-L139 HydrophobicContact CB-CD2 3.89Å; P134-L139 HydrophobicContact CB-CG 4.04Å; P134-L139 HydrophobicContact CG-CD2 4.29Å |
| 135 | N | 80.8 | Confident | 79.6 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 171.4 | 173.3 | 73.6 | 22.5 | 0 | 0 | 0 | 111.9 | A137 Q138 L139 | N135-A137 VanDerWaalsContact C-N 3.29Å; N135-A137 PolarHBondContact O-N 3.26Å; N135-A137 WeakPolarHBondContact OD1-CB 3.24Å; N135-A137 PolarHBondContact OD1-N 3.37Å; N135-A137 VanDerWaalsContact OD1-N 3.15Å; N135-Q138 WeakPolarHBondContact O-CB 3.5Å; N135-Q138 PolarHBondContact O-N 3.06Å; N135-Q138 VanDerWaalsContact O-N 3.11Å; N135-Q138 WeakPolarHBondContact OD1-CB 3.43Å; N135-Q138 VanDerWaalsContact OD1-CG 3.24Å; N135-Q138 WeakPolarHBondContact OD1-CG 3.3Å; N135-Q138 PolarHBondContact OD1-N 2.78Å; N135-L139 WeakPolarHBondContact O-CG 3.37Å; N135-L139 PolarHBondContact O-N 2.79Å |
| 136 | A | 78.5 | Confident | 79.9 | Confident | 50 Ų | 50 | 66 Ų | 66 | 41% | 0.413 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.8 | -37.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A140 | A136-A140 VanDerWaalsContact O-CB 3.3Å; A136-A140 WeakPolarHBondContact O-CB 3.43Å; A136-A140 PolarHBondContact O-N 2.78Å |
| 137 | A | 81.5 | Confident | 80.1 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | V106 I125 N135 A140 V141 V147 V149 | V106-A137 HydrophobicContact CG1-CB 4.48Å; V106-A137 HydrophobicContact CG2-CB 3.92Å; I125-A137 HydrophobicContact CD1-CB 4.03Å; I125-A137 HydrophobicContact CG1-CB 4.45Å; I125-A137 HydrophobicContact CG2-CB 4.18Å; N135-A137 VanDerWaalsContact C-N 3.29Å; N135-A137 PolarHBondContact O-N 3.26Å; N135-A137 WeakPolarHBondContact OD1-CB 3.24Å; N135-A137 PolarHBondContact OD1-N 3.37Å; N135-A137 VanDerWaalsContact OD1-N 3.15Å; A137-A140 PolarHBondContact O-N 2.83Å; A137-V141 WeakPolarHBondContact O-CG2 3.35Å; A137-V141 PolarHBondContact O-N 3.39Å; A137-V147 HydrophobicContact CB-CG1 4.01Å; A137-V149 HydrophobicContact CB-CG2 4.26Å |
| 138 | Q | 80.6 | Confident | 80.5 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 7% | 0.065 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.2 | -44.2 | 178.5 | -70.6 | 164.1 | -20.2 | 0 | 0 | 111 | I125 P126 P128 P134 N135 A140 V141 M142 | I125-Q138 HydrophobicContact CG2-CB 4.47Å; I125-Q138 HydrophobicContact CG2-CG 3.49Å; I125-Q138 VanDerWaalsContact CG2-CG 3.49Å; P126-Q138 PolarHBondContact O-NE2 2.92Å; P128-Q138 HydrophobicContact CG-CB 4.41Å; P128-Q138 HydrophobicContact CG-CG 4.4Å; P134-Q138 VanDerWaalsContact CA-OE1 3.31Å; P134-Q138 HydrophobicContact CB-CB 3.99Å; N135-Q138 WeakPolarHBondContact O-CB 3.5Å; N135-Q138 PolarHBondContact O-N 3.06Å; N135-Q138 VanDerWaalsContact O-N 3.11Å; N135-Q138 WeakPolarHBondContact OD1-CB 3.43Å; N135-Q138 VanDerWaalsContact OD1-CG 3.24Å; N135-Q138 WeakPolarHBondContact OD1-CG 3.3Å; N135-Q138 PolarHBondContact OD1-N 2.78Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 3.14Å; Q138-V141 PolarHBondContact O-N 2.94Å; Q138-M142 WeakPolarHBondContact O-CB 3.42Å; Q138-M142 WeakPolarHBondContact O-CG 3.28Å; Q138-M142 PolarHBondContact O-N 3.46Å |
| 139 | L | 82.5 | Confident | 80.6 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 175.7 | -69.8 | 175.6 | 0 | 0 | 0 | 112 | Y98 P134 N135 M142 Q143 | Y98-L139 HydrophobicContact CE2-CB 4.01Å; P134-L139 HydrophobicContact CB-CD2 3.89Å; P134-L139 HydrophobicContact CB-CG 4.04Å; P134-L139 HydrophobicContact CG-CD2 4.29Å; N135-L139 WeakPolarHBondContact O-CG 3.37Å; N135-L139 PolarHBondContact O-N 2.79Å; L139-M142 PolarHBondContact O-N 3.24Å; L139-Q143 WeakPolarHBondContact O-CG 3.45Å; L139-Q143 PolarHBondContact O-N 3.26Å; L139-Q143 VanDerWaalsContact O-N 3.17Å |
| 140 | A | 78.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y98 V104 A136 A137 Q138 M142 Q143 G144 A145 V147 | Y98-A140 HydrophobicContact CD1-CB 4.05Å; Y98-A140 VanDerWaalsContact CD2-CA 3.49Å; Y98-A140 HydrophobicContact CD2-CB 3.9Å; Y98-A140 HydrophobicContact CE1-CB 4.04Å; Y98-A140 HydrophobicContact CE2-CB 3.92Å; Y98-A140 HydrophobicContact CG-CB 3.96Å; V104-A140 HydrophobicContact CB-CB 4.09Å; V104-A140 HydrophobicContact CG1-CB 4.19Å; V104-A140 HydrophobicContact CG2-CB 3.79Å; A136-A140 VanDerWaalsContact O-CB 3.3Å; A136-A140 WeakPolarHBondContact O-CB 3.43Å; A136-A140 PolarHBondContact O-N 2.78Å; A137-A140 PolarHBondContact O-N 2.83Å; Q138-A140 VanDerWaalsContact C-N 3.33Å; Q138-A140 PolarHBondContact O-N 3.14Å; A140-M142 PolarHBondContact O-N 3.13Å; A140-Q143 PolarHBondContact O-N 2.9Å; A140-G144 PolarHBondContact O-N 2.63Å; A140-A145 HydrophobicContact CB-CB 4.2Å; A140-A145 WeakPolarHBondContact O-CB 3.31Å; A140-A145 PolarHBondContact O-N 2.75Å; A140-V147 HydrophobicContact CB-CG2 3.49Å; A140-V147 VanDerWaalsContact CB-CG2 3.49Å |
| 141 | V | 79.4 | Confident | 80.3 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 175 | 172.7 | 0 | 0 | 0 | 0 | 111 | I125 A137 Q138 Q143 G144 V147 | I125-V141 HydrophobicContact CB-CG2 4.35Å; I125-V141 HydrophobicContact CG1-CG2 3.94Å; A137-V141 WeakPolarHBondContact O-CG2 3.35Å; A137-V141 PolarHBondContact O-N 3.39Å; Q138-V141 PolarHBondContact O-N 2.94Å; V141-Q143 PolarHBondContact O-N 3.17Å; V141-G144 PolarHBondContact O-N 3.06Å; V141-V147 HydrophobicContact CB-CG2 4.48Å; V141-V147 HydrophobicContact CG2-CB 4.04Å; V141-V147 HydrophobicContact CG2-CG2 3.52Å |
| 142 | M | 82.6 | Confident | 80.1 | Confident | 137 Ų | 137 | 56.6 Ų | 56.6 | 68% | 0.675 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.9 | -27.9 | 179.4 | -73 | 175.1 | 73.9 | 0 | 0 | 113 | Q138 L139 A140 | Q138-M142 WeakPolarHBondContact O-CB 3.42Å; Q138-M142 WeakPolarHBondContact O-CG 3.28Å; Q138-M142 PolarHBondContact O-N 3.46Å; L139-M142 PolarHBondContact O-N 3.24Å; A140-M142 PolarHBondContact O-N 3.13Å |
| 143 | Q | 80.4 | Confident | 79.7 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 30% | 0.304 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 5.5 | 179 | -65.3 | -179 | 30.6 | 0 | 0 | 113.5 | P96 L139 A140 V141 | P96-Q143 PolarHBondContact O-NE2 3.4Å; L139-Q143 WeakPolarHBondContact O-CG 3.45Å; L139-Q143 PolarHBondContact O-N 3.26Å; L139-Q143 VanDerWaalsContact O-N 3.17Å; A140-Q143 PolarHBondContact O-N 2.9Å; V141-Q143 PolarHBondContact O-N 3.17Å |
| 144 | G | 75.7 | Confident | 79 | Confident | 48 Ų | 48 | 58.8 Ų | 58.8 | 50% | 0.495 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 21.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G101 A140 V141 | G101-G144 PolarHBondContact N-O 3.04Å; A140-G144 PolarHBondContact O-N 2.63Å; V141-G144 PolarHBondContact O-N 3.06Å |
| 145 | A | 79.4 | Confident | 78 | Confident | 9 Ų | 9 | 60.6 Ų | 60.6 | 7% | 0.074 | 33% | 0.334 | C | S | . | . | trans | -83.1 | 148.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S102 V104 A140 | S102-A145 CarbonylContact O-C 3.58Å; S102-A145 WeakPolarHBondContact O-CA 3.37Å; S102-A145 WeakPolarHBondContact OG-CB 3.44Å; V104-A145 HydrophobicContact CG2-CB 3.99Å; A140-A145 HydrophobicContact CB-CB 4.2Å; A140-A145 WeakPolarHBondContact O-CB 3.31Å; A140-A145 PolarHBondContact O-N 2.75Å | ||
| 146 | N | 79.9 | Confident | 77 | Confident | 84 Ų | 84 | 66.6 Ų | 66.6 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 120.7 | 168.2 | -68.5 | -65.4 | 0 | 0 | 0 | 108.8 | S102 T103 V104 | S102-N146 PolarHBondContact O-N 3.15Å; T103-N146 CarbonylContact C-O 3.55Å; T103-N146 VanDerWaalsContact CA-O 3.24Å; T103-N146 WeakPolarHBondContact CA-O 3.44Å; T103-N146 HydrophobicContact CG2-CB 3.64Å; V104-N146 PolarHBondContact N-O 2.88Å |
| 147 | V | 78.5 | Confident | 76.1 | Confident | 3 Ų | 3 | 73.6 Ų | 73.6 | 2% | 0.018 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 117.5 | -177 | -169.8 | 0 | 0 | 0 | 0 | 111 | V104 V106 A122 A137 A140 V141 V149 | V104-V147 HydrophobicContact CB-CG2 4.45Å; V104-V147 CarbonylContact O-C 3.59Å; V104-V147 WeakPolarHBondContact O-CA 3.36Å; V106-V147 HydrophobicContact CG2-CG1 3.93Å; A122-V147 WeakPolarHBondContact CB-O 3.29Å; A137-V147 HydrophobicContact CB-CG1 4.01Å; A140-V147 HydrophobicContact CB-CG2 3.49Å; A140-V147 VanDerWaalsContact CB-CG2 3.49Å; V141-V147 HydrophobicContact CB-CG2 4.48Å; V141-V147 HydrophobicContact CG2-CB 4.04Å; V141-V147 HydrophobicContact CG2-CG2 3.52Å; V147-V149 HydrophobicContact CG1-CG2 3.55Å |
| 148 | L | 82.4 | Confident | 74.9 | Confident | 104 Ų | 104 | 79.6 Ų | 79.6 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 115.5 | 171.4 | -79.3 | 148.9 | 0 | 0 | 0 | 108.1 | T103 V104 L105 V106 | T103-L148 HydrophobicContact CG2-CD1 4.36Å; V104-L148 PolarHBondContact O-N 2.58Å; L105-L148 CarbonylContact C-O 3.48Å; L105-L148 VanDerWaalsContact CA-O 3.28Å; L105-L148 WeakPolarHBondContact CA-O 3.42Å; V106-L148 PolarHBondContact N-O 2.9Å |
| 149 | V | 81 | Confident | 73.7 | Confident | 22 Ų | 22 | 81.2 Ų | 81.2 | 13% | 0.133 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129.2 | -179.9 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | V106 G109 Y110 I125 A137 V147 | V106-V149 HydrophobicContact CB-CB 4.44Å; V106-V149 HydrophobicContact CB-CG1 4.27Å; V106-V149 HydrophobicContact CB-CG2 3.93Å; V106-V149 HydrophobicContact CG1-CG1 4.46Å; V106-V149 HydrophobicContact CG2-CG2 4.34Å; V106-V149 CarbonylContact O-C 3.49Å; V106-V149 VanDerWaalsContact O-CA 3.29Å; V106-V149 WeakPolarHBondContact O-CA 3.5Å; G109-V149 VanDerWaalsContact CA-CG1 3.45Å; Y110-V149 HydrophobicContact CD2-CB 3.65Å; Y110-V149 HydrophobicContact CD2-CG1 3.46Å; Y110-V149 VanDerWaalsContact CD2-CG1 3.46Å; Y110-V149 WeakPolarHBondContact CD2-O 3.29Å; Y110-V149 HydrophobicContact CE2-CB 3.38Å; Y110-V149 HydrophobicContact CE2-CG1 3.7Å; Y110-V149 HydrophobicContact CE2-CG2 4.39Å; Y110-V149 WeakPolarHBondContact CE2-O 3.31Å; Y110-V149 HydrophobicContact CG-CG1 3.97Å; I125-V149 HydrophobicContact CD1-CB 4.31Å; I125-V149 HydrophobicContact CD1-CG2 3.43Å; I125-V149 VanDerWaalsContact CD1-CG2 3.43Å; A137-V149 HydrophobicContact CB-CG2 4.26Å; V147-V149 HydrophobicContact CG1-CG2 3.55Å |
| 150 | T | 80.1 | Confident | 72.3 | Confident | 55 Ų | 55 | 79.7 Ų | 79.7 | 34% | 0.337 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 155.7 | 178.6 | 72.4 | 0 | 0 | 0 | 0 | 111 | V106 E107 G108 G109 Y110 | V106-T150 PolarHBondContact O-N 2.99Å; E107-T150 VanDerWaalsContact CA-OG1 3.27Å; E107-T150 WeakPolarHBondContact CA-OG1 3.5Å; E107-T150 WeakPolarHBondContact CG-OG1 3.39Å; G108-T150 CarbonylContact C-O 3.34Å; G108-T150 VanDerWaalsContact CA-O 3.31Å; G108-T150 WeakPolarHBondContact CA-O 3.27Å; G108-T150 PolarHBondContact N-O 3.11Å; G108-T150 PolarHBondContact N-OG1 3.09Å; G109-T150 PolarHBondContact N-O 2.97Å; Y110-T150 PolarHBondContact N-O 3.05Å; Y110-T150 VanDerWaalsContact N-O 3.14Å |
| 151 | Q | 78.3 | Confident | 71.4 | Confident | 71 Ų | 71 | 82 Ų | 82 | 33% | 0.332 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 144 | 172.4 | -65.8 | -171.6 | 56 | 0 | 0 | 110.3 | D111 A112 A114 F116 | D111-Q151 PolarHBondContact O-OE1 3.25Å; D111-Q151 VanDerWaalsContact O-OE1 3.11Å; A112-Q151 PolarHBondContact O-OE1 3.22Å; A114-Q151 HydrophobicContact CB-CG 4.41Å; A114-Q151 PolarHBondContact O-NE2 3.11Å; A114-Q151 VanDerWaalsContact O-NE2 3.13Å; A114-Q151 PolarHBondContact O-OE1 2.85Å; F116-Q151 HydrophobicContact CE2-CG 3.73Å; F116-Q151 HydrophobicContact CZ-CG 4.25Å |
| 152 | R | 79.5 | Confident | 70.1 | Confident | 92 Ų | 92 | 86 Ų | 86 | 35% | 0.347 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 144.2 | 169.8 | 71.2 | -171.1 | -175.1 | 153.4 | 1.9 | 109.4 | Y110 D111 A112 G154 | Y110-R152 WeakPolarHBondContact O-CG 3.43Å; Y110-R152 PolarHBondContact O-N 2.79Å; D111-R152 IonicContact OD2-CZ 2.97Å; D111-R152 IonicContact OD2-NE 3.04Å; D111-R152 PolarHBondContact OD2-NE 2.71Å; D111-R152 IonicContact OD2-NH1 3.92Å; D111-R152 IonicContact OD2-NH2 2.63Å; D111-R152 PolarHBondContact OD2-NH2 3.4Å; A112-R152 HydrophobicContact CB-CG 3.77Å; A112-R152 WeakPolarHBondContact CB-O 3.36Å; R152-G154 PolarHBondContact O-N 3.47Å |
| 153 | K | 74.2 | Confident | 68.7 | Low | 189 Ų | 189 | 82.7 Ų | 82.7 | 82% | 0.822 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 120.9 | 174.3 | -170.7 | 166.6 | -178.4 | 174.9 | 0 | 109 | ||
| 154 | G | 64.6 | Low | 67.1 | Low | 40 Ų | 40 | 82.7 Ų | 82.7 | 41% | 0.412 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 130 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | R152 | R152-G154 PolarHBondContact O-N 3.47Š|
| 155 | N | 60.5 | Low | 65.7 | Low | 88 Ų | 88 | 91 Ų | 91 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | trans | -112.4 | 148.9 | 168.9 | -78 | 39.6 | 0 | 0 | 0 | 109 | F157 M158 G159 | N155-F157 PolarHBondContact O-N 2.66Å; N155-M158 HydrophobicContact CB-CB 4.45Å; N155-M158 PolarHBondContact O-N 3.3Å; N155-G159 PolarHBondContact O-N 3.2Å | ||
| 156 | F | 58.3 | Low | 64.3 | Low | 210 Ų | 210 | 96.6 Ų | 96.6 | 92% | 0.921 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.2 | -178.1 | -156 | -94.5 | 0 | 0 | 0 | 113.4 | ||
| 157 | F | 59.2 | Low | 62.8 | Low | 198 Ų | 198 | 100.2 Ų | 100.2 | 87% | 0.868 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -20.3 | 177.2 | -62.8 | -79.7 | 0 | 0 | 0 | 114.8 | N155 | N155-F157 PolarHBondContact O-N 2.66Š|
| 158 | M | 56.8 | Low | 61.6 | Low | 131 Ų | 131 | 114.8 Ų | 114.8 | 65% | 0.645 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.3 | 7.2 | -173.9 | -74.7 | 179.6 | 66 | 0 | 0 | 113.3 | N155 | N155-M158 HydrophobicContact CB-CB 4.45Å; N155-M158 PolarHBondContact O-N 3.3Å |
| 159 | G | 56.5 | Low | 60.5 | Low | 47 Ų | 47 | 115.3 Ų | 115.3 | 49% | 0.485 | 61% | 0.605 | S | S | . | * | trans | 65.4 | 80.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N155 | N155-G159 PolarHBondContact O-N 3.2Š| ||
| 160 | G | 53.2 | Low | 59.5 | Low | 19 Ų | 19 | 120.2 Ų | 120.2 | 20% | 0.196 | 63% | 0.629 | C | S | . | * | trans | -92.1 | 118.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | D162 | G160-D162 PolarHBondContact O-N 3.47Š| ||
| 161 | S | 59.2 | Low | 58.3 | Low | 49 Ų | 49 | 123.8 Ų | 123.8 | 34% | 0.343 | 65% | 0.646 | S | S | . | * | S | Bend | trans | 50.4 | -27.5 | 159.4 | -86.5 | 0 | 0 | 0 | 0 | 122 | A112 G113 R115 G163 | A112-S161 PolarHBondContact O-OG 2.86Å; G113-S161 WeakPolarHBondContact CA-OG 3.47Å; R115-S161 PolarHBondContact NH1-OG 3.21Å; R115-S161 VanDerWaalsContact NH2-CB 3.33Å; R115-S161 PolarHBondContact NH2-OG 3.03Å; S161-G163 PolarHBondContact O-N 2.9Å |
| 162 | D | 52.9 | Low | 57.1 | Low | 145 Ų | 145 | 126.9 Ų | 126.9 | 78% | 0.775 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -103.2 | 80.3 | -169.7 | -61.1 | -58.2 | 0 | 0 | 0 | 108.5 | G160 G164 | G160-D162 PolarHBondContact O-N 3.47Å; D162-G164 VanDerWaalsContact C-N 3.34Å; D162-G164 PolarHBondContact O-N 3.47Å |
| 163 | G | 52.1 | Low | 55.7 | Low | 68 Ų | 68 | 129.1 Ų | 129.1 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | trans | 24.3 | 65 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116 | S161 Y165 | S161-G163 PolarHBondContact O-N 2.9Å; G163-Y165 PolarHBondContact O-N 3.4Å | ||
| 164 | G | 47.3 | Very low | 54.5 | Low | 65 Ų | 65 | 125.1 Ų | 125.1 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | trans | -61.8 | 120.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | D162 T166 | D162-G164 VanDerWaalsContact C-N 3.34Å; D162-G164 PolarHBondContact O-N 3.47Å; G164-T166 PolarHBondContact O-N 3.36Å | ||
| 165 | Y | 46.6 | Very low | 53.8 | Low | 222 Ų | 222 | 131.2 Ų | 131.2 | 87% | 0.871 | 69% | 0.694 | S | S | * | * | trans | -59.3 | 125.1 | 177.2 | -60.9 | -85.4 | 0 | 0 | 0 | 110.3 | G163 I167 | G163-Y165 PolarHBondContact O-N 3.4Å; Y165-I167 PolarHBondContact O-N 3.25Å | ||
| 166 | T | 49.9 | Very low | 53.3 | Low | 126 Ų | 126 | 134.5 Ų | 134.5 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | -76.5 | 111.8 | 163.5 | -46.9 | 0 | 0 | 0 | 0 | 107.8 | G164 | G164-T166 PolarHBondContact O-N 3.36Š| ||
| 167 | I | 47.8 | Very low | 52.9 | Low | 160 Ų | 160 | 128.3 Ų | 128.3 | 82% | 0.821 | 69% | 0.693 | S | S | * | * | trans | -81.1 | 121.8 | 158.3 | 46.2 | 172.8 | 0 | 0 | 0 | 107.1 | Y165 | Y165-I167 PolarHBondContact O-N 3.25Š| ||
| 168 | W | 52.8 | Low | 52.3 | Low | 309 Ų | 309 | 121.9 Ų | 121.9 | 100% | 1.17 | 68% | 0.677 | S | S | * | * | trans | -69.5 | 0 | 174.7 | 49.2 | 67.8 | 0 | 0 | 0 | 111.8 |
Retrieved 168 of 168 residues in 23.7 ms
(Link to these results)