| 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 | 33.8 | Very low | 36.8 | Very low | 225 Ų | 225 | 159.6 Ų | 159.6 | 100% | 1.108 | 79% | 0.794 | S | S | * | * | 0 | 121.6 | 0 | -80 | 75.2 | 175 | 0 | 0 | 107.6 | |||||
| 2 | V | 32.9 | Very low | 37 | Very low | 112 Ų | 112 | 153.2 Ų | 153.2 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | 74.2 | 100.1 | 71.5 | 172.4 | 0 | 0 | 0 | 0 | 109 | |||||
| 3 | F | 37.2 | Very low | 37.8 | Very low | 187 Ų | 187 | 151.6 Ų | 151.6 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | 60.6 | 144.8 | 94.7 | -52.6 | -58.9 | 0 | 0 | 0 | 112.7 | |||||
| 4 | L | 37.3 | Very low | 37.9 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | cis | -127.9 | -171.4 | 8.7 | -61.7 | 74.7 | 0 | 0 | 0 | 108.9 | ||||
| 5 | W | 39.1 | Very low | 38 | Very low | 219 Ų | 219 | 152.5 Ų | 152.5 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | cis | -155.3 | 149 | -11.4 | -124.6 | 9 | 0 | 0 | 0 | 107.5 | ||||
| 6 | D | 39.5 | Very low | 38.4 | Very low | 130 Ų | 130 | 158.3 Ų | 158.3 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | 53.8 | 117 | 94.2 | -166.8 | 27.7 | 0 | 0 | 0 | 118.6 | |||||
| 7 | A | 37.6 | Very low | 38.1 | Very low | 91 Ų | 91 | 162.6 Ų | 162.6 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -172.4 | 111.7 | 140.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 8 | K | 35.3 | Very low | 38.4 | Very low | 188 Ų | 188 | 160 Ų | 160 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | 73 | 97.3 | 128.4 | -161.4 | 172.6 | -175.5 | 177.4 | 0 | 122.7 | |||||
| 9 | Y | 32.6 | Very low | 38.5 | Very low | 227 Ų | 227 | 157.7 Ų | 157.7 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | 81.8 | 152.7 | 131.9 | -127.3 | -95.7 | 0 | 0 | 0 | 122.1 | ||||
| 10 | D | 39.9 | Very low | 38.7 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -106.8 | 150.9 | -166.5 | 174.5 | 46.7 | 0 | 0 | 0 | 113.6 | ||||
| 11 | P | 39.6 | Very low | 38.3 | Very low | 119 Ų | 119 | 154.2 Ų | 154.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -136.3 | 132.1 | 133.1 | 36.4 | -23.9 | 0 | 0 | 0 | 115 | ||||
| 12 | A | 39.1 | Very low | 38.4 | Very low | 82 Ų | 82 | 150.2 Ų | 150.2 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 146.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 13 | P | 47.4 | Very low | 38.4 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84 | 140.7 | 176.3 | 33.4 | -34.9 | 0 | 0 | 0 | 113.7 | ||
| 14 | G | 39.1 | Very low | 38.5 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -89 | 142.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 15 | R | 40.3 | Very low | 38.3 | Very low | 242 Ų | 242 | 147.7 Ų | 147.7 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | 31.7 | 104.8 | 154.9 | -66.7 | -176.5 | 176.7 | -114 | -0.5 | 118.7 | ||||
| 16 | R | 43.4 | Very low | 38.1 | Very low | 245 Ų | 245 | 143.1 Ų | 143.1 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -71.1 | 148.2 | 146.6 | -76.3 | -177.7 | 173.1 | 174.5 | -2 | 110.4 | ||||
| 17 | Y | 34.4 | Very low | 37.6 | Very low | 231 Ų | 231 | 140.9 Ų | 140.9 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -87.9 | 145.6 | 164.7 | -108.2 | -100.9 | 0 | 0 | 0 | 110.4 | ||||
| 18 | T | 43 | Very low | 37.3 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 71% | 0.712 | 82% | 0.817 | S | S | * | * | trans | -137.9 | 126.2 | 173.9 | -44.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 19 | P | 40.3 | Very low | 37.2 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 142.2 | 175.7 | 30.9 | -33.6 | 0 | 0 | 0 | 111 | ||
| 20 | P | 42.2 | Very low | 37.4 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -85 | 137.9 | -179.3 | 32.9 | -33.8 | 0 | 0 | 0 | 112.6 | ||
| 21 | S | 31.1 | Very low | 37.1 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -77 | 148.9 | 162.8 | -52.7 | 0 | 0 | 0 | 0 | 110.6 | ||
| 22 | T | 34 | Very low | 36.9 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 86% | 0.859 | 83% | 0.831 | S | S | * | * | trans | -120.5 | 130.1 | 172.3 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 23 | S | 34.3 | Very low | 36.6 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | trans | -141.3 | 159.6 | 167 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 24 | L | 38.5 | Very low | 36.1 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 92% | 0.916 | 84% | 0.837 | S | S | * | * | trans | -84.6 | 149.6 | -159.4 | -64.5 | 73.8 | 0 | 0 | 0 | 114.1 | ||||
| 25 | A | 33.8 | Very low | 36.6 | Very low | 90 Ų | 90 | 144.3 Ų | 144.3 | 74% | 0.744 | 84% | 0.836 | S | S | * | * | trans | -160.6 | 131.3 | 139.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 26 | S | 33.9 | Very low | 36.1 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | 27.1 | 135.4 | 146.8 | 59.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 27 | G | 29.5 | Very low | 35.4 | Very low | 82 Ų | 82 | 132.6 Ų | 132.6 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | -162.8 | -24.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 28 | G | 31.6 | Very low | 35.4 | Very low | 78 Ų | 78 | 126.6 Ų | 126.6 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | 49.9 | 126.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 29 | K | 33.4 | Very low | 35.2 | Very low | 184 Ų | 184 | 129.8 Ų | 129.8 | 80% | 0.8 | 83% | 0.831 | S | S | * | * | trans | -159 | 128.2 | 136.7 | -127.1 | -176 | 178.8 | -175 | 0 | 115.5 | ||||
| 30 | M | 36.4 | Very low | 34.7 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 79% | 0.788 | 84% | 0.836 | S | S | * | * | trans | 23.4 | 120 | 151.4 | 73.5 | -156.1 | -150.4 | 0 | 0 | 121.9 | ||||
| 31 | A | 34.8 | Very low | 34.7 | Very low | 110 Ų | 110 | 132 Ų | 132 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | -161.4 | 147.9 | 128.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 32 | E | 34.2 | Very low | 34.7 | Very low | 197 Ų | 197 | 129.8 Ų | 129.8 | 92% | 0.921 | 84% | 0.836 | S | S | * | * | trans | -122.7 | 123 | -168.6 | 178.6 | -175.9 | 159.9 | 0 | 0 | 110.9 | ||||
| 33 | A | 33.8 | Very low | 35 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 79% | 0.793 | 84% | 0.838 | S | S | * | * | trans | -165.8 | 98.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 34 | L | 36.8 | Very low | 34.9 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 88% | 0.88 | 84% | 0.836 | S | S | * | * | trans | -137.8 | 147.4 | 154.1 | -78.8 | -178.7 | 0 | 0 | 0 | 105.4 | ||||
| 35 | P | 48.4 | Very low | 34.8 | Very low | 113 Ų | 113 | 121.1 Ų | 121.1 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | cis | -134.9 | -160.3 | 49.5 | 40.8 | -20.7 | 0 | 0 | 0 | 111.7 | ||||
| 36 | L | 30.4 | Very low | 35 | Very low | 166 Ų | 166 | 122 Ų | 122 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | cis | -147.2 | 159.1 | 9.1 | -165.6 | 69.6 | 0 | 0 | 0 | 109 | ||||
| 37 | G | 28.3 | Very low | 35.5 | Very low | 75 Ų | 75 | 121.6 Ų | 121.6 | 77% | 0.773 | 83% | 0.826 | S | S | * | * | trans | -81.1 | 163 | -169.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 38 | A | 35.1 | Very low | 36.1 | Very low | 106 Ų | 106 | 124.4 Ų | 124.4 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | trans | -147.7 | 137.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 39 | Q | 37.9 | Very low | 36.5 | Very low | 182 Ų | 182 | 124.7 Ų | 124.7 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -75 | 141.9 | 176.3 | 154.7 | -167.2 | -24.7 | 0 | 0 | 111.5 | ||||
| 40 | E | 29.7 | Very low | 37 | Very low | 182 Ų | 182 | 124.4 Ų | 124.4 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | -164.4 | 148.3 | 149 | -104.2 | -71.3 | 77.1 | 0 | 0 | 109.3 | ||||
| 41 | A | 42.8 | Very low | 36.9 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -100.8 | 92.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 42 | G | 31.3 | Very low | 37.5 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -92.4 | 125.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G44 | G42-G44 PolarHBondContact O-N 3.33Š| ||
| 43 | G | 40.5 | Very low | 38.5 | Very low | 89 Ų | 89 | 121.8 Ų | 121.8 | 92% | 0.918 | 78% | 0.778 | S | S | * | * | trans | -72.9 | 113.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 44 | G | 31.2 | Very low | 39.1 | Very low | 76 Ų | 76 | 119.1 Ų | 119.1 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | -104.6 | 112.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G42 A46 | G42-G44 PolarHBondContact O-N 3.33Å; G44-A46 PolarHBondContact O-N 2.83Å | ||
| 45 | A | 37.9 | Very low | 39.5 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | trans | -72.7 | 125 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | V47 | A45-V47 HydrophobicContact CB-CG2 4.14Å; A45-V47 PolarHBondContact O-N 3.45Å | ||
| 46 | A | 36.8 | Very low | 40.1 | Very low | 109 Ų | 109 | 114.8 Ų | 114.8 | 90% | 0.901 | 73% | 0.727 | S | S | * | * | trans | -74.3 | 60.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G44 | G44-A46 PolarHBondContact O-N 2.83Š| ||
| 47 | V | 45.2 | Very low | 42 | Very low | 115 Ų | 115 | 109 Ų | 109 | 70% | 0.697 | 71% | 0.706 | S | S | * | * | trans | -132.3 | 75.5 | -173.8 | -173.1 | 0 | 0 | 0 | 0 | 110.9 | A45 | A45-V47 HydrophobicContact CB-CG2 4.14Å; A45-V47 PolarHBondContact O-N 3.45Å | ||
| 48 | M | 42.3 | Very low | 44.1 | Very low | 142 Ų | 142 | 107 Ų | 107 | 70% | 0.7 | 68% | 0.678 | S | S | * | * | trans | -150.8 | 41.8 | 153.6 | -154.5 | 56.2 | 72.7 | 0 | 0 | 113.7 | K50 | M48-K50 PolarHBondContact O-N 3.37Š| ||
| 49 | G | 39.3 | Very low | 45.8 | Very low | 84 Ų | 84 | 105.4 Ų | 105.4 | 87% | 0.866 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -84.1 | 20.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 50 | K | 44 | Very low | 47.6 | Very low | 177 Ų | 177 | 100.9 Ų | 100.9 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | trans | -144 | 77.3 | -175 | -66.9 | -173.7 | -178.8 | -178.8 | 0 | 110 | M48 R52 | M48-K50 PolarHBondContact O-N 3.37Å; K50-R52 PolarHBondContact O-N 3.33Å | ||
| 51 | F | 34.4 | Very low | 49.8 | Very low | 164 Ų | 164 | 92.7 Ų | 92.7 | 72% | 0.719 | 61% | 0.606 | S | S | * | * | trans | -56.6 | 129.3 | 164 | -101.7 | -96.6 | 0 | 0 | 0 | 108.8 | H56 | F51-H56 AromaticContact CD1-CE1 3.78Å; F51-H56 AromaticContact CD1-NE2 3.57Å | ||
| 52 | R | 47.6 | Very low | 51.4 | Low | 189 Ų | 189 | 90 Ų | 90 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | trans | -85.5 | 122.3 | -176.7 | -62.1 | -179 | -174.2 | 170.6 | 1.5 | 108.2 | K50 A54 D55 | K50-R52 PolarHBondContact O-N 3.33Å; R52-A54 HydrophobicContact CB-CB 4.02Å; R52-A54 PolarHBondContact O-N 2.99Å; R52-D55 PolarHBondContact O-N 2.77Å; R52-D55 VanDerWaalsContact O-N 3.16Å | ||
| 53 | I | 55.2 | Low | 53.2 | Low | 59 Ų | 59 | 90.1 Ų | 90.1 | 30% | 0.303 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -54 | -22 | 171.5 | -65.3 | 166.3 | 0 | 0 | 0 | 111.6 | D55 H56 V61 L101 Q134 | I53-D55 PolarHBondContact O-N 3.2Å; I53-D55 VanDerWaalsContact O-N 3.16Å; I53-H56 PolarHBondContact O-N 2.77Å; I53-H56 VanDerWaalsContact O-N 3.15Å; I53-V61 HydrophobicContact CG2-CG2 4.46Å; I53-L101 HydrophobicContact CG2-CD2 4.42Å; I53-Q134 HydrophobicContact CB-CB 4.5Å; I53-Q134 HydrophobicContact CB-CG 4.3Å; I53-Q134 HydrophobicContact CD1-CB 4.27Å; I53-Q134 HydrophobicContact CG2-CB 4.34Å; I53-Q134 HydrophobicContact CG2-CG 4.48Å |
| 54 | A | 45.5 | Very low | 54.7 | Low | 40 Ų | 40 | 90.8 Ų | 90.8 | 33% | 0.331 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -50.7 | -28.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | R52 L101 D103 | R52-A54 HydrophobicContact CB-CB 4.02Å; R52-A54 PolarHBondContact O-N 2.99Å; A54-L101 WeakPolarHBondContact CA-O 3.34Å; A54-D103 WeakPolarHBondContact CB-OD1 3.27Å |
| 55 | D | 46.1 | Very low | 56.8 | Low | 153 Ų | 153 | 91.3 Ų | 91.3 | 82% | 0.818 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -108.5 | -7.9 | -179.4 | -144.8 | 18.9 | 0 | 0 | 0 | 112.5 | R52 I53 G57 | R52-D55 PolarHBondContact O-N 2.77Å; R52-D55 VanDerWaalsContact O-N 3.16Å; I53-D55 PolarHBondContact O-N 3.2Å; I53-D55 VanDerWaalsContact O-N 3.16Å; D55-G57 PolarHBondContact O-N 2.98Å |
| 56 | H | 60.4 | Low | 58.5 | Low | 38 Ų | 38 | 92.3 Ų | 92.3 | 18% | 0.176 | 53% | 0.529 | C | S | . | . | S | Bend | trans | -82.3 | 99.4 | 178.3 | -70.3 | -52.1 | 0 | 0 | 0 | 110.4 | F51 I53 E60 V61 | F51-H56 AromaticContact CD1-CE1 3.78Å; F51-H56 AromaticContact CD1-NE2 3.57Å; I53-H56 PolarHBondContact O-N 2.77Å; I53-H56 VanDerWaalsContact O-N 3.15Å; H56-E60 WeakPolarHBondContact CA-OE2 3.48Å; H56-E60 HydrophobicContact CB-CB 4.49Å; H56-E60 IonicContact CE1-OE1 3.63Å; H56-E60 IonicContact CE1-OE2 3.76Å; H56-E60 IonicContact CG-OE2 3.77Å; H56-E60 IonicContact ND1-OE1 2.71Å; H56-E60 PolarHBondContact ND1-OE1 3.15Å; H56-E60 VanDerWaalsContact ND1-OE1 3.16Å; H56-E60 IonicContact ND1-OE2 3.1Å; H56-E60 PolarHBondContact ND1-OE2 3.22Å; H56-V61 HydrophobicContact CB-CG2 3.91Å |
| 57 | G | 70.3 | Confident | 60.4 | Low | 43 Ų | 43 | 90 Ų | 90 | 44% | 0.443 | 52% | 0.516 | S | S | . | . | trans | -60.5 | 158.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D55 A59 E60 | D55-G57 PolarHBondContact O-N 2.98Å; G57-A59 PolarHBondContact O-N 3.36Å; G57-E60 PolarHBondContact O-N 2.92Å | ||
| 58 | M | 72.1 | Confident | 62.5 | Low | 34 Ų | 34 | 86.6 Ų | 86.6 | 17% | 0.167 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -37.4 | -27 | 179 | -98.6 | -72 | -161.2 | 0 | 0 | 117.5 | I62 K71 P75 L78 L101 | M58-I62 WeakPolarHBondContact O-CD1 3.49Å; M58-I62 VanDerWaalsContact O-CG1 3.29Å; M58-I62 WeakPolarHBondContact O-CG1 3.33Å; M58-K71 HydrophobicContact CE-CB 4.29Å; M58-K71 HydrophobicContact CE-CD 4.27Å; M58-K71 HydrophobicContact CE-CG 4.05Å; M58-K71 HydrophobicContact SD-CD 3.95Å; M58-K71 HydrophobicContact SD-CG 3.84Å; M58-P75 VanDerWaalsContact CE-O 3.29Å; M58-P75 WeakPolarHBondContact CE-O 3.27Å; M58-L78 HydrophobicContact CE-CD2 4.09Å; M58-L78 HydrophobicContact CE-CG 4.48Å; M58-L78 HydrophobicContact SD-CD1 4.39Å; M58-L78 HydrophobicContact SD-CD2 3.4Å; M58-L78 WeakPolarHBondContact SD-CD2 3.5Å; M58-L78 HydrophobicContact SD-CG 3.81Å; M58-L101 HydrophobicContact CB-CD1 4.13Å; M58-L101 HydrophobicContact CG-CD1 3.48Å; M58-L101 VanDerWaalsContact CG-CD1 3.48Å; M58-L101 HydrophobicContact SD-CD1 3.84Å |
| 59 | A | 71.1 | Confident | 64.9 | Low | 73 Ų | 73 | 80.5 Ų | 80.5 | 60% | 0.603 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -34.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G57 I62 S63 | G57-A59 PolarHBondContact O-N 3.36Å; A59-I62 PolarHBondContact O-N 3.14Å; A59-S63 PolarHBondContact O-N 3.16Å; A59-S63 PolarHBondContact O-OG 2.82Å |
| 60 | E | 76 | Confident | 67.5 | Low | 86 Ų | 86 | 78.4 Ų | 78.4 | 40% | 0.402 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.6 | -47.6 | -172.3 | -165.4 | 170.7 | -167.8 | 0 | 0 | 111.2 | H56 G57 I62 S63 D64 | H56-E60 WeakPolarHBondContact CA-OE2 3.48Å; H56-E60 HydrophobicContact CB-CB 4.49Å; H56-E60 IonicContact CE1-OE1 3.63Å; H56-E60 IonicContact CE1-OE2 3.76Å; H56-E60 IonicContact CG-OE2 3.77Å; H56-E60 IonicContact ND1-OE1 2.71Å; H56-E60 PolarHBondContact ND1-OE1 3.15Å; H56-E60 VanDerWaalsContact ND1-OE1 3.16Å; H56-E60 IonicContact ND1-OE2 3.1Å; H56-E60 PolarHBondContact ND1-OE2 3.22Å; G57-E60 PolarHBondContact O-N 2.92Å; E60-I62 PolarHBondContact O-N 2.79Å; E60-I62 VanDerWaalsContact O-N 3.14Å; E60-S63 WeakPolarHBondContact CA-OG 3.46Å; E60-S63 WeakPolarHBondContact O-CA 3.49Å; E60-S63 PolarHBondContact O-N 3.16Å; E60-S63 PolarHBondContact O-OG 2.7Å; E60-D64 PolarHBondContact O-N 2.98Å |
| 61 | V | 75.9 | Confident | 69.9 | Low | 11 Ų | 11 | 75.1 Ų | 75.1 | 7% | 0.067 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.3 | -24.6 | 173.6 | -176.8 | 0 | 0 | 0 | 0 | 112.2 | I53 H56 L69 L78 V99 L101 | I53-V61 HydrophobicContact CG2-CG2 4.46Å; H56-V61 HydrophobicContact CB-CG2 3.91Å; V61-L69 HydrophobicContact CG1-CD1 4.07Å; V61-L78 HydrophobicContact CB-CD1 3.98Å; V61-L78 HydrophobicContact CG1-CD1 3.75Å; V61-V99 HydrophobicContact CG1-CG1 4.17Å; V61-L101 HydrophobicContact CB-CD2 4.3Å; V61-L101 HydrophobicContact CG2-CD2 3.79Å |
| 62 | I | 77.3 | Confident | 72.8 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 23% | 0.231 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -79.4 | -35.9 | 171.6 | -67.9 | 177.9 | 0 | 0 | 0 | 111.6 | M58 A59 E60 D64 H65 P66 K71 L78 | M58-I62 WeakPolarHBondContact O-CD1 3.49Å; M58-I62 VanDerWaalsContact O-CG1 3.29Å; M58-I62 WeakPolarHBondContact O-CG1 3.33Å; A59-I62 PolarHBondContact O-N 3.14Å; E60-I62 PolarHBondContact O-N 2.79Å; E60-I62 VanDerWaalsContact O-N 3.14Å; I62-D64 VanDerWaalsContact C-N 3.35Å; I62-H65 CarbonylContact O-C 3.26Å; I62-H65 VanDerWaalsContact O-C 3.26Å; I62-H65 PolarHBondContact O-N 3.16Å; I62-P66 VanDerWaalsContact O-CA 3.31Å; I62-P66 WeakPolarHBondContact O-CA 3.47Å; I62-K71 HydrophobicContact CD1-CD 4.39Å; I62-K71 VanDerWaalsContact CD1-CE 3.49Å; I62-K71 HydrophobicContact CD1-CG 4Å; I62-L78 HydrophobicContact CD1-CD2 3.87Å; I62-L78 HydrophobicContact CG1-CD1 3.99Å; I62-L78 HydrophobicContact CG1-CD2 4.04Å |
| 63 | S | 68.5 | Low | 75.1 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70.9 | -27.6 | 175.3 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | A59 E60 H65 P66 | A59-S63 PolarHBondContact O-N 3.16Å; A59-S63 PolarHBondContact O-OG 2.82Å; E60-S63 WeakPolarHBondContact CA-OG 3.46Å; E60-S63 WeakPolarHBondContact O-CA 3.49Å; E60-S63 PolarHBondContact O-N 3.16Å; E60-S63 PolarHBondContact O-OG 2.7Å; S63-H65 VanDerWaalsContact C-N 3.34Å; S63-P66 WeakPolarHBondContact O-CD 3.41Å |
| 64 | D | 72.2 | Confident | 77 | Confident | 102 Ų | 102 | 61.9 Ų | 61.9 | 55% | 0.545 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.8 | -32.9 | 172.6 | -66.5 | -20.1 | 0 | 0 | 0 | 112.4 | E60 I62 P66 | E60-D64 PolarHBondContact O-N 2.98Å; I62-D64 VanDerWaalsContact C-N 3.35Å; D64-P66 VanDerWaalsContact C-CD 3.46Å; D64-P66 WeakPolarHBondContact O-CD 3.35Å |
| 65 | H | 75.2 | Confident | 79.2 | Confident | 87 Ų | 87 | 64.5 Ų | 64.5 | 40% | 0.403 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -127.8 | 60.6 | -175.7 | -65 | 78.7 | 0 | 0 | 0 | 111.3 | I62 S63 G67 E68 L69 | I62-H65 CarbonylContact O-C 3.26Å; I62-H65 VanDerWaalsContact O-C 3.26Å; I62-H65 PolarHBondContact O-N 3.16Å; S63-H65 VanDerWaalsContact C-N 3.34Å; H65-G67 PolarHBondContact O-N 3.13Å; H65-G67 VanDerWaalsContact O-N 3.08Å; H65-E68 HydrophobicContact CB-CB 4.31Å; H65-E68 IonicContact CD2-OE2 3.81Å; H65-E68 PolarHBondContact O-N 3.03Å; H65-E68 VanDerWaalsContact O-N 3.09Å; H65-L69 HydrophobicContact CB-CD1 4.23Å; H65-L69 HydrophobicContact CB-CG 4.35Å |
| 66 | P | 73.1 | Confident | 81.5 | Confident | 108 Ų | 108 | 60.3 Ų | 60.3 | 70% | 0.701 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 113.5 | -166.7 | 26.5 | -34.4 | 0 | 0 | 0 | 111.4 | I62 S63 D64 | I62-P66 VanDerWaalsContact O-CA 3.31Å; I62-P66 WeakPolarHBondContact O-CA 3.47Å; S63-P66 WeakPolarHBondContact O-CD 3.41Å; D64-P66 VanDerWaalsContact C-CD 3.46Å; D64-P66 WeakPolarHBondContact O-CD 3.35Å |
| 67 | G | 77.3 | Confident | 83.2 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 63% | 0.629 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -4.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | H65 | H65-G67 PolarHBondContact O-N 3.13Å; H65-G67 VanDerWaalsContact O-N 3.08Å |
| 68 | E | 88 | Confident | 84.4 | Confident | 44 Ų | 44 | 56.4 Ų | 56.4 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -35.3 | 169.4 | -153.3 | -153 | 131.4 | 0 | 0 | 111.4 | H65 S80 V81 K97 | H65-E68 HydrophobicContact CB-CB 4.31Å; H65-E68 IonicContact CD2-OE2 3.81Å; H65-E68 PolarHBondContact O-N 3.03Å; H65-E68 VanDerWaalsContact O-N 3.09Å; E68-S80 CarbonylContact O-C 3.55Å; E68-S80 VanDerWaalsContact O-CA 3.31Å; E68-S80 WeakPolarHBondContact O-CA 3.34Å; E68-V81 PolarHBondContact O-N 3.26Å; E68-K97 WeakPolarHBondContact OE1-CD 3.39Å; E68-K97 WeakPolarHBondContact OE1-CE 3.39Å; E68-K97 IonicContact OE1-NZ 2.79Å; E68-K97 PolarHBondContact OE1-NZ 3.36Å; E68-K97 IonicContact OE2-NZ 3.85Å; E68-K97 PolarHBondContact OE2-NZ 2.63Å |
| 69 | L | 92.9 | Very high | 85.6 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 145.9 | -173 | -60.9 | 179.1 | 0 | 0 | 0 | 113.2 | V61 H65 L78 C79 V99 | V61-L69 HydrophobicContact CG1-CD1 4.07Å; H65-L69 HydrophobicContact CB-CD1 4.23Å; H65-L69 HydrophobicContact CB-CG 4.35Å; L69-L78 HydrophobicContact CB-CB 4.49Å; L69-L78 HydrophobicContact CD1-CB 4.47Å; L69-L78 HydrophobicContact CD1-CD1 4.15Å; L69-C79 CarbonylContact C-O 3.57Å; L69-C79 WeakPolarHBondContact CA-O 3.14Å; L69-V99 HydrophobicContact CD1-CG2 4.05Å; L69-V99 HydrophobicContact CD2-CG2 4.01Å |
| 70 | V | 94.6 | Very high | 86.8 | Confident | 41 Ų | 41 | 51.4 Ų | 51.4 | 25% | 0.248 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.6 | 175.8 | 62.2 | 0 | 0 | 0 | 0 | 111 | L78 C79 V81 Y169 | V70-L78 WeakPolarHBondContact O-CA 3.44Å; V70-C79 WeakPolarHBondContact CG1-O 3.4Å; V70-C79 PolarHBondContact N-O 3.03Å; V70-C79 PolarHBondContact O-N 3.32Å; V70-V81 HydrophobicContact CB-CG2 3.91Å; V70-V81 HydrophobicContact CG1-CG2 4.1Å; V70-Y169 HydrophobicContact CG1-CD1 4.4Å; V70-Y169 HydrophobicContact CG1-CE1 3.74Å; V70-Y169 HydrophobicContact CG1-CE2 4.28Å |
| 71 | K | 94.1 | Very high | 87.8 | Confident | 108 Ų | 108 | 50.2 Ų | 50.2 | 47% | 0.47 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136 | 177.9 | -60.2 | -173.6 | 173.9 | -178.9 | 0 | 111.1 | M58 I62 L78 | M58-K71 HydrophobicContact CE-CB 4.29Å; M58-K71 HydrophobicContact CE-CD 4.27Å; M58-K71 HydrophobicContact CE-CG 4.05Å; M58-K71 HydrophobicContact SD-CD 3.95Å; M58-K71 HydrophobicContact SD-CG 3.84Å; I62-K71 HydrophobicContact CD1-CD 4.39Å; I62-K71 VanDerWaalsContact CD1-CE 3.49Å; I62-K71 HydrophobicContact CD1-CG 4Å; K71-L78 HydrophobicContact CB-CD2 4.39Å; K71-L78 HydrophobicContact CG-CD2 3.73Å |
| 72 | T | 96.4 | Very high | 88.9 | Confident | 16 Ų | 16 | 50.1 Ų | 50.1 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | trans | -79.3 | -176.9 | 163.9 | 65.7 | 0 | 0 | 0 | 0 | 110 | S74 F77 C79 I157 A167 | T72-S74 PolarHBondContact O-N 2.95Å; T72-S74 PolarHBondContact OG1-N 2.84Å; T72-S74 PolarHBondContact OG1-O 2.79Å; T72-F77 HydrophobicContact CG2-CB 4.34Å; T72-F77 PolarHBondContact N-O 3.48Å; T72-F77 PolarHBondContact OG1-O 2.66Å; T72-C79 HydrophobicContact CG2-CB 4.44Å; T72-I157 HydrophobicContact CG2-CD1 4.44Å; T72-A167 HydrophobicContact CG2-CB 4.08Å | ||
| 73 | D | 95.8 | Very high | 89.9 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -67.5 | -16.9 | 166.5 | 64 | -4.7 | 0 | 0 | 0 | 113.7 | A167 T168 | D73-A167 WeakPolarHBondContact OD1-CA 3.39Å; D73-T168 PolarHBondContact N-O 3.41Å; D73-T168 VanDerWaalsContact N-O 3.12Å; D73-T168 PolarHBondContact OD1-N 3.2Å; D73-T168 WeakPolarHBondContact OD2-CB 3.45Å; D73-T168 PolarHBondContact OD2-OG1 2.89Å |
| 74 | S | 94.1 | Very high | 91.2 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -95.6 | 133.2 | -178.3 | -177.4 | 0 | 0 | 0 | 0 | 111.6 | T72 N76 F77 | T72-S74 PolarHBondContact O-N 2.95Å; T72-S74 PolarHBondContact OG1-N 2.84Å; T72-S74 PolarHBondContact OG1-O 2.79Å; S74-N76 PolarHBondContact O-N 2.9Å; S74-N76 VanDerWaalsContact O-N 3.15Å; S74-F77 PolarHBondContact O-N 2.94Å; S74-F77 WeakPolarHBondContact OG-CD2 3.31Å |
| 75 | P | 92.4 | Very high | 92.5 | Very high | 95 Ų | 95 | 48.4 Ų | 48.4 | 62% | 0.617 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -15 | -178.8 | 29.1 | -36.2 | 0 | 0 | 0 | 113.6 | M58 | M58-P75 VanDerWaalsContact CE-O 3.29Å; M58-P75 WeakPolarHBondContact CE-O 3.27Å |
| 76 | N | 93.8 | Very high | 93.6 | Very high | 64 Ų | 64 | 46.1 Ų | 46.1 | 34% | 0.342 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -10.6 | -175.3 | -62.4 | -7 | 0 | 0 | 0 | 113.4 | S74 L101 Q165 | S74-N76 PolarHBondContact O-N 2.9Å; S74-N76 VanDerWaalsContact O-N 3.15Å; N76-L101 PolarHBondContact O-N 3.25Å; N76-Q165 PolarHBondContact ND2-OE1 3.4Å |
| 77 | F | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 125.1 | -165.5 | -61 | -69.1 | 0 | 0 | 0 | 114.1 | T72 S74 L98 T100 I104 V159 Q165 A167 | T72-F77 HydrophobicContact CG2-CB 4.34Å; T72-F77 PolarHBondContact N-O 3.48Å; T72-F77 PolarHBondContact OG1-O 2.66Å; S74-F77 PolarHBondContact O-N 2.94Å; S74-F77 WeakPolarHBondContact OG-CD2 3.31Å; F77-L98 HydrophobicContact CB-CD1 4.12Å; F77-L98 HydrophobicContact CD1-CD1 4.41Å; F77-L98 HydrophobicContact CD1-CD2 3.95Å; F77-L98 HydrophobicContact CD1-CG 4.24Å; F77-L98 HydrophobicContact CE1-CD2 4.36Å; F77-T100 HydrophobicContact CD1-CG2 3.83Å; F77-T100 HydrophobicContact CE1-CG2 3.62Å; F77-I104 HydrophobicContact CE1-CD1 3.72Å; F77-I104 HydrophobicContact CZ-CD1 3.79Å; F77-V159 HydrophobicContact CD1-CG2 4.38Å; F77-V159 HydrophobicContact CE1-CB 4.46Å; F77-V159 HydrophobicContact CE1-CG2 3.76Å; F77-V159 HydrophobicContact CZ-CB 4.27Å; F77-V159 HydrophobicContact CZ-CG2 3.9Å; F77-Q165 HydrophobicContact CE2-CB 3.9Å; F77-Q165 HydrophobicContact CZ-CB 4.01Å; F77-A167 HydrophobicContact CB-CB 4.02Å; F77-A167 HydrophobicContact CD2-CB 3.81Å; F77-A167 HydrophobicContact CG-CB 4.16Å |
| 78 | L | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 149.1 | 166.8 | -68.1 | 173.8 | 0 | 0 | 0 | 109.3 | M58 V61 I62 L69 V70 K71 L98 V99 L101 | M58-L78 HydrophobicContact CE-CD2 4.09Å; M58-L78 HydrophobicContact CE-CG 4.48Å; M58-L78 HydrophobicContact SD-CD1 4.39Å; M58-L78 HydrophobicContact SD-CD2 3.4Å; M58-L78 WeakPolarHBondContact SD-CD2 3.5Å; M58-L78 HydrophobicContact SD-CG 3.81Å; V61-L78 HydrophobicContact CB-CD1 3.98Å; V61-L78 HydrophobicContact CG1-CD1 3.75Å; I62-L78 HydrophobicContact CD1-CD2 3.87Å; I62-L78 HydrophobicContact CG1-CD1 3.99Å; I62-L78 HydrophobicContact CG1-CD2 4.04Å; L69-L78 HydrophobicContact CB-CB 4.49Å; L69-L78 HydrophobicContact CD1-CB 4.47Å; L69-L78 HydrophobicContact CD1-CD1 4.15Å; V70-L78 WeakPolarHBondContact O-CA 3.44Å; K71-L78 HydrophobicContact CB-CD2 4.39Å; K71-L78 HydrophobicContact CG-CD2 3.73Å; L78-L98 CarbonylContact O-C 3.59Å; L78-L98 WeakPolarHBondContact O-CD1 3.45Å; L78-V99 HydrophobicContact CB-CB 4.22Å; L78-V99 PolarHBondContact N-O 3.11Å; L78-V99 PolarHBondContact O-N 3.1Å; L78-L101 HydrophobicContact CD1-CD2 4.45Å |
| 79 | C | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 163.3 | 173.1 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | L69 V70 T72 F96 K97 L98 I157 Y169 | L69-C79 CarbonylContact C-O 3.57Å; L69-C79 WeakPolarHBondContact CA-O 3.14Å; V70-C79 WeakPolarHBondContact CG1-O 3.4Å; V70-C79 PolarHBondContact N-O 3.03Å; V70-C79 PolarHBondContact O-N 3.32Å; T72-C79 HydrophobicContact CG2-CB 4.44Å; C79-F96 HydrophobicContact CB-CE2 3.89Å; C79-F96 HydrophobicContact CB-CZ 3.72Å; C79-K97 CarbonylContact C-O 3.56Å; C79-K97 WeakPolarHBondContact CA-O 3.5Å; C79-K97 WeakPolarHBondContact CB-O 3.38Å; C79-L98 HydrophobicContact CB-CD1 4.09Å; C79-I157 HydrophobicContact CB-CD1 4.23Å; C79-Y169 VanDerWaalsContact SG-CD1 3.51Å |
| 80 | S | 96.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 138.1 | 178.2 | -59.6 | 0 | 0 | 0 | 0 | 112 | E68 L82 F96 K97 | E68-S80 CarbonylContact O-C 3.55Å; E68-S80 VanDerWaalsContact O-CA 3.31Å; E68-S80 WeakPolarHBondContact O-CA 3.34Å; S80-L82 PolarHBondContact O-N 2.85Å; S80-F96 WeakPolarHBondContact O-CE2 3.31Å; S80-K97 PolarHBondContact N-O 2.68Å; S80-K97 WeakPolarHBondContact OG-CB 3.27Å; S80-K97 PolarHBondContact OG-N 3.38Å |
| 81 | V | 96.9 | Very high | 96.7 | Very high | 61 Ų | 61 | 52.5 Ų | 52.5 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 128.7 | 169.6 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | E68 V70 | E68-V81 PolarHBondContact O-N 3.26Å; V70-V81 HydrophobicContact CB-CG2 3.91Å; V70-V81 HydrophobicContact CG1-CG2 4.1Å |
| 82 | L | 97.9 | Very high | 96.9 | Very high | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -99.8 | 150.2 | 177.6 | -73.2 | 174.5 | 0 | 0 | 0 | 111.8 | S80 T84 L92 F96 F143 L155 Y169 A172 I173 | S80-L82 PolarHBondContact O-N 2.85Å; L82-T84 PolarHBondContact O-N 3.39Å; L82-L92 HydrophobicContact CD2-CD1 3.67Å; L82-L92 HydrophobicContact CD2-CD2 4.04Å; L82-L92 HydrophobicContact CD2-CG 4.49Å; L82-F96 HydrophobicContact CD1-CD2 4.26Å; L82-F96 HydrophobicContact CD1-CE2 4.1Å; L82-F96 HydrophobicContact CD2-CD2 3.8Å; L82-F96 HydrophobicContact CD2-CE2 4.42Å; L82-F96 HydrophobicContact CG-CD2 4.03Å; L82-F96 HydrophobicContact CG-CE2 4.17Å; L82-F143 HydrophobicContact CD1-CZ 4.19Å; L82-L155 HydrophobicContact CD1-CD1 3.47Å; L82-L155 VanDerWaalsContact CD1-CD1 3.47Å; L82-Y169 HydrophobicContact CB-CE1 4.4Å; L82-Y169 HydrophobicContact CD1-CE1 4.33Å; L82-Y169 HydrophobicContact CG-CE1 4.36Å; L82-A172 HydrophobicContact CD1-CB 4.28Å; L82-I173 HydrophobicContact CB-CB 4.4Å; L82-I173 HydrophobicContact CB-CD1 4.34Å; L82-I173 HydrophobicContact CD1-CB 4.49Å; L82-I173 HydrophobicContact CD1-CG2 4.25Å |
| 83 | P | 97.6 | Very high | 96.9 | Very high | 30 Ų | 30 | 51.2 Ų | 51.2 | 20% | 0.195 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -58.7 | 130.3 | 171.4 | -22 | 32.9 | 0 | 0 | 0 | 110.7 | H85 W86 P93 I173 | P83-H85 PolarHBondContact O-N 3.09Å; P83-W86 HydrophobicContact CB-CE3 3.93Å; P83-W86 HydrophobicContact CG-CD2 4.36Å; P83-W86 HydrophobicContact CG-CE3 4Å; P83-W86 HydrophobicContact CG-CZ3 4.45Å; P83-P93 HydrophobicContact CG-CG 3.58Å; P83-I173 WeakPolarHBondContact O-CD1 3.37Å; P83-I173 VanDerWaalsContact O-CG1 3.25Å; P83-I173 WeakPolarHBondContact O-CG1 3.5Å |
| 84 | T | 97.7 | Very high | 96.8 | Very high | 120 Ų | 120 | 50.8 Ų | 50.8 | 74% | 0.736 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -58.5 | -24.5 | -179.4 | 59.4 | 0 | 0 | 0 | 0 | 113.2 | L82 K174 | L82-T84 PolarHBondContact O-N 3.39Å; T84-K174 WeakPolarHBondContact O-CB 3.44Å; T84-K174 PolarHBondContact O-N 2.76Å; T84-K174 VanDerWaalsContact O-N 3.09Å |
| 85 | H | 98.5 | Very high | 96.9 | Very high | 39 Ų | 39 | 51.7 Ų | 51.7 | 18% | 0.181 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 130 | 173.6 | -174.7 | -178.8 | 0 | 0 | 0 | 109 | P83 K174 T176 G179 P180 | P83-H85 PolarHBondContact O-N 3.09Å; H85-K174 CarbonylContact C-O 3.19Å; H85-K174 VanDerWaalsContact CA-O 3.31Å; H85-K174 WeakPolarHBondContact CA-O 3.27Å; H85-K174 VanDerWaalsContact CD2-CE 3.43Å; H85-K174 WeakPolarHBondContact CD2-CE 3.42Å; H85-K174 PolarHBondContact CD2-O 3.32Å; H85-K174 WeakPolarHBondContact ND1-CE 3.48Å; H85-K174 PolarHBondContact ND1-NZ 2.68Å; H85-T176 PolarHBondContact NE2-OG1 3.08Å; H85-G179 PolarHBondContact CE1-O 3.29Å; H85-G179 WeakPolarHBondContact NE2-CA 3.43Å; H85-G179 PolarHBondContact NE2-O 3.01Å; H85-P180 HydrophobicContact CB-CG 4.18Å; H85-P180 WeakPolarHBondContact O-CD 3.38Å; H85-P180 WeakPolarHBondContact O-CG 3.43Å |
| 86 | W | 98.6 | Very high | 97.1 | Very high | 39 Ų | 39 | 47.2 Ų | 47.2 | 15% | 0.148 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 167.3 | 174.6 | -156.1 | -119.4 | 0 | 0 | 0 | 113.7 | P83 K90 T91 L92 P93 I173 K174 I175 T176 G179 | P83-W86 HydrophobicContact CB-CE3 3.93Å; P83-W86 HydrophobicContact CG-CD2 4.36Å; P83-W86 HydrophobicContact CG-CE3 4Å; P83-W86 HydrophobicContact CG-CZ3 4.45Å; W86-K90 HydrophobicContact CH2-CD 4.5Å; W86-K90 HydrophobicContact CZ2-CD 3.77Å; W86-K90 VanDerWaalsContact CZ2-CE 3.42Å; W86-K90 HydrophobicContact CZ2-CG 4.12Å; W86-K90 PolarHBondContact NE1-O 2.86Å; W86-T91 WeakPolarHBondContact CZ2-O 3.35Å; W86-T91 PolarHBondContact NE1-O 3.16Å; W86-T91 VanDerWaalsContact NE1-O 3.07Å; W86-L92 HydrophobicContact CG-CD2 4.36Å; W86-P93 HydrophobicContact CH2-CB 4.1Å; W86-P93 HydrophobicContact CH2-CG 4.02Å; W86-P93 HydrophobicContact CZ2-CG 4.41Å; W86-P93 HydrophobicContact CZ3-CG 4.25Å; W86-I173 HydrophobicContact CB-CD1 3.83Å; W86-I173 HydrophobicContact CB-CG1 4.41Å; W86-K174 PolarHBondContact N-O 2.85Å; W86-I175 HydrophobicContact CB-CD1 3.85Å; W86-T176 PolarHBondContact O-N 2.77Å; W86-G179 WeakPolarHBondContact O-CA 3.36Å |
| 87 | R | 98.5 | Very high | 97.3 | Very high | 131 Ų | 131 | 46.5 Ų | 46.5 | 49% | 0.494 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.1 | 178.1 | -173.2 | 171.2 | -176 | -163.1 | -10 | 110.6 | K90 T176 V177 D178 | R87-K90 HydrophobicContact CB-CB 3.99Å; R87-K90 HydrophobicContact CB-CD 4.1Å; R87-K90 HydrophobicContact CG-CB 4.4Å; R87-K90 PolarHBondContact O-N 2.92Å; R87-T176 CarbonylContact C-O 3.55Å; R87-T176 WeakPolarHBondContact CA-O 3.47Å; R87-V177 VanDerWaalsContact CG-O 3.3Å; R87-V177 WeakPolarHBondContact CG-O 3.15Å; R87-V177 PolarHBondContact NE-O 3.4Å; R87-D178 WeakPolarHBondContact CD-O 3.4Å |
| 88 | C | 98.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 20% | 0.203 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 143.1 | 176.7 | 63.3 | 0 | 0 | 0 | 0 | 112.3 | K90 F143 V144 I175 T176 | C88-K90 PolarHBondContact O-N 2.89Å; C88-F143 CarbonylContact C-O 3.08Å; C88-F143 WeakPolarHBondContact CA-O 3.16Å; C88-V144 WeakPolarHBondContact CB-O 3.49Å; C88-I175 HydrophobicContact CB-CG2 3.66Å; C88-T176 PolarHBondContact N-O 3.36Å |
| 89 | N | 98.4 | Very high | 97.4 | Very high | 71 Ų | 71 | 47 Ų | 47 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 12.5 | -176.8 | -156.7 | 11.5 | 0 | 0 | 0 | 115.6 | R125 R142 F143 V144 | N89-R125 WeakPolarHBondContact OD1-CD 3.47Å; N89-R125 PolarHBondContact OD1-NH1 2.92Å; N89-R142 VanDerWaalsContact O-CD 3.28Å; N89-R142 WeakPolarHBondContact O-CD 3.38Å; N89-R142 PolarHBondContact O-NH1 2.77Å; N89-F143 PolarHBondContact N-O 3.44Å; N89-V144 HydrophobicContact CB-CG2 4.29Å |
| 90 | K | 98.1 | Very high | 97.3 | Very high | 109 Ų | 109 | 47 Ų | 47 | 47% | 0.474 | 25% | 0.251 | S | S | . | . | trans | -92.8 | 130.3 | 170.1 | -174.5 | -179.1 | 167.5 | 62.9 | 0 | 109.7 | W86 R87 C88 | W86-K90 HydrophobicContact CH2-CD 4.5Å; W86-K90 HydrophobicContact CZ2-CD 3.77Å; W86-K90 VanDerWaalsContact CZ2-CE 3.42Å; W86-K90 HydrophobicContact CZ2-CG 4.12Å; W86-K90 PolarHBondContact NE1-O 2.86Å; R87-K90 HydrophobicContact CB-CB 3.99Å; R87-K90 HydrophobicContact CB-CD 4.1Å; R87-K90 HydrophobicContact CG-CB 4.4Å; R87-K90 PolarHBondContact O-N 2.92Å; C88-K90 PolarHBondContact O-N 2.89Å | ||
| 91 | T | 98.1 | Very high | 97.1 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | trans | -43.3 | 135.4 | 167 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | W86 D140 R142 | W86-T91 WeakPolarHBondContact CZ2-O 3.35Å; W86-T91 PolarHBondContact NE1-O 3.16Å; W86-T91 VanDerWaalsContact NE1-O 3.07Å; T91-D140 WeakPolarHBondContact CA-OD1 3.46Å; T91-D140 WeakPolarHBondContact CB-OD1 3.31Å; T91-D140 WeakPolarHBondContact CG2-OD1 3.05Å; T91-D140 PolarHBondContact OG1-OD1 2.79Å; T91-R142 VanDerWaalsContact OG1-CZ 3.23Å; T91-R142 PolarHBondContact OG1-NE 2.83Å; T91-R142 PolarHBondContact OG1-NH2 2.86Å | ||
| 92 | L | 98.1 | Very high | 96.6 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | trans | -65.4 | 152.4 | 174.9 | -69 | 169 | 0 | 0 | 0 | 111.2 | L82 W86 I94 F96 L141 F143 I173 | L82-L92 HydrophobicContact CD2-CD1 3.67Å; L82-L92 HydrophobicContact CD2-CD2 4.04Å; L82-L92 HydrophobicContact CD2-CG 4.49Å; W86-L92 HydrophobicContact CG-CD2 4.36Å; L92-I94 VanDerWaalsContact CB-O 3.27Å; L92-I94 WeakPolarHBondContact CB-O 3.21Å; L92-I94 PolarHBondContact O-N 3.2Å; L92-F96 HydrophobicContact CD1-CB 4.22Å; L92-L141 HydrophobicContact CD1-CB 4.23Å; L92-L141 HydrophobicContact CD1-CD2 4.33Å; L92-L141 HydrophobicContact CD1-CG 4.37Å; L92-F143 HydrophobicContact CD1-CE2 4.29Å; L92-F143 HydrophobicContact CD2-CD2 4.47Å; L92-F143 HydrophobicContact CD2-CE2 4.22Å; L92-I173 HydrophobicContact CD2-CD1 4.2Å | ||
| 93 | P | 96 | Very high | 96.3 | Very high | 84 Ų | 84 | 52 Ų | 52 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -71 | -23.1 | 179.6 | 30.3 | -34 | 0 | 0 | 0 | 112.7 | P83 W86 | P83-P93 HydrophobicContact CG-CG 3.58Å; W86-P93 HydrophobicContact CH2-CB 4.1Å; W86-P93 HydrophobicContact CH2-CG 4.02Å; W86-P93 HydrophobicContact CZ2-CG 4.41Å; W86-P93 HydrophobicContact CZ3-CG 4.25Å |
| 94 | I | 94.2 | Very high | 96.2 | Very high | 90 Ų | 90 | 51 Ų | 51 | 46% | 0.462 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -126.7 | 139.1 | 174.3 | -58.8 | 175.8 | 0 | 0 | 0 | 106.8 | L92 F96 | L92-I94 VanDerWaalsContact CB-O 3.27Å; L92-I94 WeakPolarHBondContact CB-O 3.21Å; L92-I94 PolarHBondContact O-N 3.2Å; I94-F96 PolarHBondContact O-N 3.31Å |
| 95 | A | 95.2 | Very high | 96.2 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | trans | -69.6 | 121.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | K97 | A95-K97 PolarHBondContact O-N 2.9Š| ||
| 96 | F | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | trans | -63.3 | 131.8 | -178.9 | -173.9 | -107 | 0 | 0 | 0 | 111.3 | C79 S80 L82 L92 I94 V112 F138 L141 I157 | C79-F96 HydrophobicContact CB-CE2 3.89Å; C79-F96 HydrophobicContact CB-CZ 3.72Å; S80-F96 WeakPolarHBondContact O-CE2 3.31Å; L82-F96 HydrophobicContact CD1-CD2 4.26Å; L82-F96 HydrophobicContact CD1-CE2 4.1Å; L82-F96 HydrophobicContact CD2-CD2 3.8Å; L82-F96 HydrophobicContact CD2-CE2 4.42Å; L82-F96 HydrophobicContact CG-CD2 4.03Å; L82-F96 HydrophobicContact CG-CE2 4.17Å; L92-F96 HydrophobicContact CD1-CB 4.22Å; I94-F96 PolarHBondContact O-N 3.31Å; F96-V112 HydrophobicContact CD1-CG2 4.4Å; F96-V112 HydrophobicContact CE1-CG2 3.81Å; F96-F138 HydrophobicContact CB-CB 4.47Å; F96-F138 AromaticContact CD1-CD2 3.54Å; F96-F138 HydrophobicContact CD1-CD2 3.54Å; F96-F138 AromaticContact CD1-CE2 3.85Å; F96-F138 HydrophobicContact CD1-CE2 3.85Å; F96-F138 HydrophobicContact CD1-CG 4.05Å; F96-F138 HydrophobicContact CE1-CD2 4.17Å; F96-F138 HydrophobicContact CE1-CE2 4Å; F96-F138 WeakPolarHBondContact O-CB 3.32Å; F96-F138 WeakPolarHBondContact O-CD2 3.29Å; F96-F138 PolarHBondContact O-N 3.18Å; F96-L141 HydrophobicContact CB-CB 4.44Å; F96-L141 HydrophobicContact CB-CD2 3.77Å; F96-L141 HydrophobicContact CD1-CD2 3.64Å; F96-L141 HydrophobicContact CE1-CD2 4.42Å; F96-L141 HydrophobicContact CG-CD2 3.79Å; F96-I157 HydrophobicContact CE1-CD1 4.4Å; F96-I157 HydrophobicContact CZ-CD1 3.95Å | ||
| 97 | K | 97.3 | Very high | 96 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 21% | 0.213 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147.2 | 174.8 | -54.9 | 168 | -172.7 | 165.1 | 0 | 109.4 | E68 C79 S80 A95 V135 A136 | E68-K97 WeakPolarHBondContact OE1-CD 3.39Å; E68-K97 WeakPolarHBondContact OE1-CE 3.39Å; E68-K97 IonicContact OE1-NZ 2.79Å; E68-K97 PolarHBondContact OE1-NZ 3.36Å; E68-K97 IonicContact OE2-NZ 3.85Å; E68-K97 PolarHBondContact OE2-NZ 2.63Å; C79-K97 CarbonylContact C-O 3.56Å; C79-K97 WeakPolarHBondContact CA-O 3.5Å; C79-K97 WeakPolarHBondContact CB-O 3.38Å; S80-K97 PolarHBondContact N-O 2.68Å; S80-K97 WeakPolarHBondContact OG-CB 3.27Å; S80-K97 PolarHBondContact OG-N 3.38Å; A95-K97 PolarHBondContact O-N 2.9Å; K97-V135 HydrophobicContact CB-CG1 4.2Å; K97-V135 HydrophobicContact CG-CG1 4.42Å; K97-A136 CarbonylContact C-O 3.59Å; K97-A136 WeakPolarHBondContact CA-O 3.4Å |
| 98 | L | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 135.4 | 153 | -172 | 76.7 | 0 | 0 | 0 | 107.5 | F77 L78 C79 V110 V135 A136 F138 I157 V159 | F77-L98 HydrophobicContact CB-CD1 4.12Å; F77-L98 HydrophobicContact CD1-CD1 4.41Å; F77-L98 HydrophobicContact CD1-CD2 3.95Å; F77-L98 HydrophobicContact CD1-CG 4.24Å; F77-L98 HydrophobicContact CE1-CD2 4.36Å; L78-L98 CarbonylContact O-C 3.59Å; L78-L98 WeakPolarHBondContact O-CD1 3.45Å; C79-L98 HydrophobicContact CB-CD1 4.09Å; L98-V110 HydrophobicContact CD2-CG1 3.78Å; L98-V110 HydrophobicContact CD2-CG2 4.28Å; L98-V135 CarbonylContact O-C 3.57Å; L98-V135 WeakPolarHBondContact O-CA 3.28Å; L98-A136 HydrophobicContact CB-CB 4.28Å; L98-A136 PolarHBondContact N-O 3.39Å; L98-A136 PolarHBondContact O-N 2.8Å; L98-F138 HydrophobicContact CB-CE2 4.44Å; L98-I157 HydrophobicContact CD1-CD1 3.97Å; L98-I157 HydrophobicContact CD1-CG2 4.08Å; L98-I157 HydrophobicContact CD2-CG2 3.99Å; L98-V159 HydrophobicContact CD2-CG2 3.49Å; L98-V159 VanDerWaalsContact CD2-CG2 3.49Å |
| 99 | V | 96.4 | Very high | 96 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.7 | 175.2 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | V61 L69 L78 Q134 V135 | V61-V99 HydrophobicContact CG1-CG1 4.17Å; L69-V99 HydrophobicContact CD1-CG2 4.05Å; L69-V99 HydrophobicContact CD2-CG2 4.01Å; L78-V99 HydrophobicContact CB-CB 4.22Å; L78-V99 PolarHBondContact N-O 3.11Å; L78-V99 PolarHBondContact O-N 3.1Å; V99-Q134 WeakPolarHBondContact CA-O 3.49Å; V99-V135 HydrophobicContact CG1-CG2 4.28Å; V99-V135 HydrophobicContact CG2-CG1 4.33Å; V99-V135 HydrophobicContact CG2-CG2 4.13Å |
| 100 | T | 95.1 | Very high | 96 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 130.2 | -173.3 | 66.9 | 0 | 0 | 0 | 0 | 110.1 | F77 I104 I131 Q134 | F77-T100 HydrophobicContact CD1-CG2 3.83Å; F77-T100 HydrophobicContact CE1-CG2 3.62Å; T100-I104 HydrophobicContact CG2-CD1 4.15Å; T100-I131 HydrophobicContact CG2-CD1 3.81Å; T100-I131 HydrophobicContact CG2-CG1 4.43Å; T100-Q134 PolarHBondContact N-O 2.92Å; T100-Q134 PolarHBondContact O-NE2 3.34Å; T100-Q134 WeakPolarHBondContact OG1-CA 3.44Å; T100-Q134 VanDerWaalsContact OG1-CD 3.29Å; T100-Q134 PolarHBondContact OG1-NE2 3.12Å; T100-Q134 PolarHBondContact OG1-O 2.96Å |
| 101 | L | 91.7 | Very high | 96.1 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -91.1 | -46.8 | -179.7 | -58.5 | -177.9 | 0 | 0 | 0 | 111.8 | I53 A54 M58 V61 N76 L78 | I53-L101 HydrophobicContact CG2-CD2 4.42Å; A54-L101 WeakPolarHBondContact CA-O 3.34Å; M58-L101 HydrophobicContact CB-CD1 4.13Å; M58-L101 HydrophobicContact CG-CD1 3.48Å; M58-L101 VanDerWaalsContact CG-CD1 3.48Å; M58-L101 HydrophobicContact SD-CD1 3.84Å; V61-L101 HydrophobicContact CB-CD2 4.3Å; V61-L101 HydrophobicContact CG2-CD2 3.79Å; N76-L101 PolarHBondContact O-N 3.25Å; L78-L101 HydrophobicContact CD1-CD2 4.45Å |
| 102 | G | 88.1 | Confident | 96.1 | Very high | 34 Ų | 34 | 40 Ų | 40 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -69.7 | 146.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I104 Q134 | G102-I104 PolarHBondContact O-N 3.3Å; G102-Q134 PolarHBondContact O-NE2 3.15Å |
| 103 | D | 91.5 | Very high | 96.1 | Very high | 126 Ų | 126 | 43.5 Ų | 43.5 | 67% | 0.674 | 26% | 0.264 | S | S | * | . | trans | -56.2 | 117.1 | 179 | -72.8 | -54.6 | 0 | 0 | 0 | 111.7 | A54 | A54-D103 WeakPolarHBondContact CB-OD1 3.27Š| ||
| 104 | I | 95.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.046 | 24% | 0.239 | C | C | . | . | trans | -130.6 | 124.6 | 176.4 | -67.2 | 178.2 | 0 | 0 | 0 | 108.4 | F77 T100 G102 D106 T108 I131 Q134 V159 T161 | F77-I104 HydrophobicContact CE1-CD1 3.72Å; F77-I104 HydrophobicContact CZ-CD1 3.79Å; T100-I104 HydrophobicContact CG2-CD1 4.15Å; G102-I104 PolarHBondContact O-N 3.3Å; I104-D106 PolarHBondContact O-N 2.85Å; I104-T108 HydrophobicContact CG2-CG2 3.83Å; I104-I131 HydrophobicContact CB-CD1 4.28Å; I104-I131 HydrophobicContact CG2-CD1 3.49Å; I104-I131 VanDerWaalsContact CG2-CD1 3.49Å; I104-Q134 PolarHBondContact O-OE1 3.17Å; I104-V159 HydrophobicContact CD1-CG1 4.11Å; I104-V159 HydrophobicContact CG2-CG1 4.39Å; I104-T161 HydrophobicContact CB-CG2 4.48Å; I104-T161 HydrophobicContact CD1-CG2 4.07Å; I104-T161 HydrophobicContact CG1-CG2 4.02Å; I104-T161 HydrophobicContact CG2-CG2 3.75Å | ||
| 105 | P | 96.1 | Very high | 96.4 | Very high | 93 Ų | 93 | 36 Ų | 36 | 60% | 0.604 | 23% | 0.225 | S | C | * | . | trans | -64.8 | 138 | -170.9 | 23.7 | -32.7 | 0 | 0 | 0 | 112.7 | T108 | P105-T108 VanDerWaalsContact O-CB 3.27Å; P105-T108 WeakPolarHBondContact O-CB 3.49Å; P105-T108 PolarHBondContact O-N 2.81Å; P105-T108 VanDerWaalsContact O-N 3.11Å; P105-T108 PolarHBondContact O-OG1 2.85Å | ||
| 106 | D | 97 | Very high | 96.6 | Very high | 86 Ų | 86 | 35.5 Ų | 35.5 | 46% | 0.46 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 138.8 | 170 | -84.4 | 24 | 0 | 0 | 0 | 111.2 | I104 I131 K132 N133 | I104-D106 PolarHBondContact O-N 2.85Å; D106-I131 WeakPolarHBondContact CA-O 3.27Å; D106-K132 WeakPolarHBondContact OD1-CA 3.43Å; D106-K132 WeakPolarHBondContact OD2-CA 3.29Å; D106-K132 VanDerWaalsContact OD2-CG 3.27Å; D106-K132 WeakPolarHBondContact OD2-CG 3.27Å; D106-N133 VanDerWaalsContact CG-N 3.35Å; D106-N133 PolarHBondContact OD1-N 3.27Å; D106-N133 PolarHBondContact OD2-N 2.88Å |
| 107 | G | 97.5 | Very high | 96.6 | Very high | 50 Ų | 50 | 42.1 Ų | 42.1 | 52% | 0.515 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -14.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L109 V130 I131 | G107-L109 PolarHBondContact O-N 2.88Å; G107-V130 VanDerWaalsContact CA-CG1 3.47Å; G107-I131 PolarHBondContact N-O 3.38Å |
| 108 | T | 98.4 | Very high | 96.5 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | trans | -59.6 | 127.2 | 174.4 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | I104 P105 I131 V159 T161 | I104-T108 HydrophobicContact CG2-CG2 3.83Å; P105-T108 VanDerWaalsContact O-CB 3.27Å; P105-T108 WeakPolarHBondContact O-CB 3.49Å; P105-T108 PolarHBondContact O-N 2.81Å; P105-T108 VanDerWaalsContact O-N 3.11Å; P105-T108 PolarHBondContact O-OG1 2.85Å; T108-I131 HydrophobicContact CG2-CD1 4.14Å; T108-I131 PolarHBondContact O-N 3Å; T108-V159 HydrophobicContact CG2-CG1 3.82Å; T108-T161 HydrophobicContact CG2-CG2 4.23Å | ||
| 109 | L | 98.4 | Very high | 96.5 | Very high | 87 Ų | 87 | 47.3 Ų | 47.3 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 149.5 | 177.5 | -70.1 | 170.8 | 0 | 0 | 0 | 111.7 | G107 T128 V130 F160 | G107-L109 PolarHBondContact O-N 2.88Å; L109-T128 HydrophobicContact CD2-CG2 4.24Å; L109-V130 HydrophobicContact CD2-CG2 4.12Å; L109-F160 HydrophobicContact CB-CB 4.2Å; L109-F160 HydrophobicContact CB-CD2 4.05Å; L109-F160 HydrophobicContact CB-CG 4.34Å; L109-F160 WeakPolarHBondContact O-CD2 3.17Å; L109-F160 PolarHBondContact O-N 2.88Å |
| 110 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 134.5 | 169.8 | -172.4 | 0 | 0 | 0 | 0 | 109 | L98 T128 A129 I131 A136 F138 I157 T158 V159 | L98-V110 HydrophobicContact CD2-CG1 3.78Å; L98-V110 HydrophobicContact CD2-CG2 4.28Å; V110-T128 CarbonylContact O-C 3.46Å; V110-T128 WeakPolarHBondContact O-CA 3.5Å; V110-A129 PolarHBondContact N-O 2.83Å; V110-A129 PolarHBondContact O-N 3.06Å; V110-I131 HydrophobicContact CG2-CD1 3.77Å; V110-I131 HydrophobicContact CG2-CG1 3.64Å; V110-A136 HydrophobicContact CB-CB 4.12Å; V110-A136 HydrophobicContact CG2-CB 3.65Å; V110-F138 HydrophobicContact CB-CZ 4.15Å; V110-F138 HydrophobicContact CG1-CE2 4.45Å; V110-F138 HydrophobicContact CG1-CZ 3.79Å; V110-I157 HydrophobicContact CG1-CG2 3.64Å; V110-T158 CarbonylContact C-O 3.56Å; V110-T158 VanDerWaalsContact CA-O 3.27Å; V110-T158 WeakPolarHBondContact CA-O 3.43Å; V110-V159 HydrophobicContact CG1-CG2 4.14Å; V110-V159 HydrophobicContact CG2-CG1 4.28Å; V110-V159 HydrophobicContact CG2-CG2 4.13Å |
| 111 | T | 98.6 | Very high | 96.7 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 20% | 0.202 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 155 | 168 | 61 | 0 | 0 | 0 | 0 | 111.8 | A127 T128 I157 T158 F160 | T111-A127 CarbonylContact C-O 3.59Å; T111-A127 VanDerWaalsContact CA-O 3.27Å; T111-A127 WeakPolarHBondContact CA-O 3.28Å; T111-T128 HydrophobicContact CG2-CG2 4.06Å; T111-I157 CarbonylContact O-C 3.57Å; T111-I157 WeakPolarHBondContact O-CA 3.27Å; T111-T158 PolarHBondContact N-O 3Å; T111-T158 PolarHBondContact O-N 2.96Å; T111-F160 HydrophobicContact CG2-CE2 3.82Å; T111-F160 HydrophobicContact CG2-CZ 4.33Å; T111-F160 WeakPolarHBondContact OG1-CE2 3.43Å |
| 112 | V | 98.7 | Very high | 97 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.03 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 134.1 | 169.2 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | F96 L124 A127 F138 L155 I157 | F96-V112 HydrophobicContact CD1-CG2 4.4Å; F96-V112 HydrophobicContact CE1-CG2 3.81Å; V112-L124 HydrophobicContact CB-CD1 4.47Å; V112-L124 HydrophobicContact CG1-CD1 4.07Å; V112-L124 WeakPolarHBondContact O-CD1 3.4Å; V112-A127 PolarHBondContact N-O 2.88Å; V112-F138 HydrophobicContact CB-CE1 4.49Å; V112-F138 HydrophobicContact CG2-CD1 4.45Å; V112-F138 HydrophobicContact CG2-CE1 3.66Å; V112-F138 HydrophobicContact CG2-CE2 4.31Å; V112-F138 HydrophobicContact CG2-CZ 3.58Å; V112-L155 HydrophobicContact CG1-CB 4.32Å; V112-L155 HydrophobicContact CG1-CD1 4.27Å; V112-L155 HydrophobicContact CG1-CD2 4.48Å; V112-I157 HydrophobicContact CG2-CG1 4.38Å; V112-I157 HydrophobicContact CG2-CG2 4.25Å |
| 113 | M | 98.7 | Very high | 97.5 | Very high | 86 Ų | 86 | 64.3 Ų | 64.3 | 42% | 0.424 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 153.9 | 163.3 | -61.9 | -178.6 | -68.3 | 0 | 0 | 108.7 | L155 T156 | M113-L155 CarbonylContact O-C 3.53Å; M113-L155 VanDerWaalsContact O-CA 3.27Å; M113-L155 WeakPolarHBondContact O-CA 3.38Å; M113-T156 HydrophobicContact CE-CG2 4.04Å; M113-T156 PolarHBondContact N-O 2.95Å; M113-T156 PolarHBondContact O-N 3.38Å |
| 114 | A | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.017 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 131.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | A122 L124 F143 F153 T154 L155 | A114-A122 HydrophobicContact CB-CB 4.37Å; A114-A122 WeakPolarHBondContact O-CB 3.48Å; A114-A122 PolarHBondContact O-N 3.2Å; A114-L124 HydrophobicContact CB-CD1 4.12Å; A114-L124 HydrophobicContact CB-CD2 3.98Å; A114-L124 HydrophobicContact CB-CG 4.39Å; A114-F143 HydrophobicContact CB-CD1 4.19Å; A114-F143 HydrophobicContact CB-CE1 3.96Å; A114-F153 HydrophobicContact CB-CB 4.15Å; A114-F153 HydrophobicContact CB-CD1 4.47Å; A114-F153 HydrophobicContact CB-CD2 4.1Å; A114-F153 HydrophobicContact CB-CG 4.02Å; A114-T154 WeakPolarHBondContact CA-O 3.19Å; A114-L155 HydrophobicContact CB-CD2 3.54Å |
| 115 | G | 98.4 | Very high | 97.9 | Very high | 16 Ų | 16 | 64 Ų | 64 | 17% | 0.165 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 158.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N119 Y120 T154 | G115-N119 WeakPolarHBondContact CA-O 3.49Å; G115-Y120 WeakPolarHBondContact CA-O 3.22Å; G115-T154 PolarHBondContact N-O 3.36Å; G115-T154 PolarHBondContact O-N 3.22Å |
| 116 | N | 98.3 | Very high | 98 | Very high | 26 Ų | 26 | 62.8 Ų | 62.8 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -162.2 | -177.5 | 164.5 | 67.9 | 18.9 | 0 | 0 | 0 | 110.4 | E118 N119 Y120 S147 S152 | N116-E118 PolarHBondContact O-N 3.4Å; N116-E118 VanDerWaalsContact O-N 3.15Å; N116-E118 WeakPolarHBondContact OD1-CB 3.45Å; N116-E118 PolarHBondContact OD1-N 2.83Å; N116-N119 PolarHBondContact N-O 2.81Å; N116-N119 CarbonylContact O-C 3.09Å; N116-N119 PolarHBondContact O-N 2.94Å; N116-N119 VanDerWaalsContact O-O 3.11Å; N116-N119 PolarHBondContact OD1-N 3.31Å; N116-Y120 PolarHBondContact O-N 3.01Å; N116-S147 PolarHBondContact ND2-O 3.08Å; N116-S152 PolarHBondContact ND2-O 3.06Å |
| 117 | D | 97.3 | Very high | 98.1 | Very high | 140 Ų | 140 | 59.6 Ų | 59.6 | 75% | 0.749 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.7 | -179.1 | 14.5 | -75.7 | 0 | 0 | 0 | 116 | K151 | D117-K151 WeakPolarHBondContact OD2-CE 3.38Å; D117-K151 IonicContact OD2-NZ 3.72Å; D117-K151 PolarHBondContact OD2-NZ 3.36Å |
| 118 | E | 96.4 | Very high | 98.1 | Very high | 113 Ų | 113 | 61.2 Ų | 61.2 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -27.2 | 172.9 | -52.5 | -91.7 | 119.5 | 0 | 0 | 112 | N116 K151 | N116-E118 PolarHBondContact O-N 3.4Å; N116-E118 VanDerWaalsContact O-N 3.15Å; N116-E118 WeakPolarHBondContact OD1-CB 3.45Å; N116-E118 PolarHBondContact OD1-N 2.83Å; E118-K151 HydrophobicContact CG-CD 3.35Å; E118-K151 WeakPolarHBondContact OE1-CE 3.21Å; E118-K151 IonicContact OE1-NZ 2.68Å; E118-K151 PolarHBondContact OE1-NZ 3.14Å |
| 119 | N | 97.1 | Very high | 98.1 | Very high | 44 Ų | 44 | 60.8 Ų | 60.8 | 24% | 0.235 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -157.2 | 89.1 | -165.9 | -174.6 | -1.3 | 0 | 0 | 0 | 108.2 | G115 N116 S121 A122 R146 F153 | G115-N119 WeakPolarHBondContact CA-O 3.49Å; N116-N119 PolarHBondContact N-O 2.81Å; N116-N119 CarbonylContact O-C 3.09Å; N116-N119 PolarHBondContact O-N 2.94Å; N116-N119 VanDerWaalsContact O-O 3.11Å; N116-N119 PolarHBondContact OD1-N 3.31Å; N119-S121 VanDerWaalsContact C-N 3.3Å; N119-S121 PolarHBondContact O-N 2.95Å; N119-S121 PolarHBondContact OD1-O 3.15Å; N119-A122 WeakPolarHBondContact ND2-CB 3.36Å; N119-R146 PolarHBondContact ND2-O 3.14Å; N119-F153 HydrophobicContact CB-CE1 4.2Å |
| 120 | Y | 97.4 | Very high | 98.1 | Very high | 218 Ų | 218 | 60.3 Ų | 60.3 | 86% | 0.855 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -57.6 | -38.5 | -170.3 | 174.4 | -102.1 | 0 | 0 | 0 | 113.4 | G115 N116 | G115-Y120 WeakPolarHBondContact CA-O 3.22Å; N116-Y120 PolarHBondContact O-N 3.01Å |
| 121 | S | 97.8 | Very high | 98.1 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 51% | 0.51 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -143.7 | 106.2 | 172.7 | -171.6 | 0 | 0 | 0 | 0 | 109.1 | N119 | N119-S121 VanDerWaalsContact C-N 3.3Å; N119-S121 PolarHBondContact O-N 2.95Å; N119-S121 PolarHBondContact OD1-O 3.15Å |
| 122 | A | 98.1 | Very high | 98 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | trans | -82.8 | 141.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A114 N119 L124 F153 | A114-A122 HydrophobicContact CB-CB 4.37Å; A114-A122 WeakPolarHBondContact O-CB 3.48Å; A114-A122 PolarHBondContact O-N 3.2Å; N119-A122 WeakPolarHBondContact ND2-CB 3.36Å; A122-L124 PolarHBondContact O-N 3.07Å; A122-F153 HydrophobicContact CB-CD1 4.42Å; A122-F153 HydrophobicContact CB-CE1 3.56Å; A122-F153 HydrophobicContact CB-CE2 3.95Å; A122-F153 HydrophobicContact CB-CZ 3.26Å | ||
| 123 | E | 98.2 | Very high | 97.9 | Very high | 121 Ų | 121 | 71 Ų | 71 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | trans | -59.5 | 125.2 | 173.3 | -171.5 | -160.4 | 149.1 | 0 | 0 | 111.1 | V144 G145 | E123-V144 HydrophobicContact CB-CB 4.11Å; E123-V144 HydrophobicContact CG-CB 3.99Å; E123-V144 HydrophobicContact CG-CG1 4.45Å; E123-V144 HydrophobicContact CG-CG2 4.47Å; E123-V144 WeakPolarHBondContact O-CA 3.47Å; E123-V144 PolarHBondContact O-N 2.94Å; E123-V144 WeakPolarHBondContact OE1-CG1 3.37Å; E123-V144 WeakPolarHBondContact OE2-CG1 3.3Å; E123-G145 PolarHBondContact O-N 3.01Å | ||
| 124 | L | 98.6 | Very high | 97.7 | Very high | 31 Ų | 31 | 67.9 Ų | 67.9 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 151 | 175.3 | -58.5 | -176.9 | 0 | 0 | 0 | 110.1 | V112 A114 A122 A127 R142 F143 | V112-L124 HydrophobicContact CB-CD1 4.47Å; V112-L124 HydrophobicContact CG1-CD1 4.07Å; V112-L124 WeakPolarHBondContact O-CD1 3.4Å; A114-L124 HydrophobicContact CB-CD1 4.12Å; A114-L124 HydrophobicContact CB-CD2 3.98Å; A114-L124 HydrophobicContact CB-CG 4.39Å; A122-L124 PolarHBondContact O-N 3.07Å; L124-A127 HydrophobicContact CB-CB 3.7Å; L124-A127 HydrophobicContact CD1-CB 4Å; L124-R142 CarbonylContact C-O 3.17Å; L124-R142 WeakPolarHBondContact CA-O 3.25Å; L124-F143 HydrophobicContact CD2-CB 4.16Å; L124-F143 HydrophobicContact CD2-CD1 3.27Å; L124-F143 HydrophobicContact CD2-CE1 3.75Å; L124-F143 HydrophobicContact CD2-CG 3.91Å |
| 125 | R | 98.5 | Very high | 97.5 | Very high | 96 Ų | 96 | 69.9 Ų | 69.9 | 36% | 0.362 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 141.4 | 169.7 | -66.4 | 176.2 | 64.9 | -144 | -5.4 | 109.6 | N89 A127 R142 V144 | N89-R125 WeakPolarHBondContact OD1-CD 3.47Å; N89-R125 PolarHBondContact OD1-NH1 2.92Å; R125-A127 VanDerWaalsContact C-N 3.26Å; R125-A127 PolarHBondContact O-N 2.71Å; R125-R142 HydrophobicContact CB-CB 4.3Å; R125-R142 PolarHBondContact N-O 2.94Å; R125-R142 PolarHBondContact O-N 2.88Å; R125-V144 HydrophobicContact CG-CG2 3.72Å |
| 126 | N | 98.1 | Very high | 97.5 | Very high | 69 Ų | 69 | 69.1 Ų | 69.1 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 55.2 | 41.4 | -178.7 | -50.2 | -8.6 | 0 | 0 | 0 | 112.5 | T128 N139 D140 | N126-T128 PolarHBondContact O-N 2.82Å; N126-N139 WeakPolarHBondContact CB-O 3.1Å; N126-N139 PolarHBondContact ND2-O 3.09Å; N126-D140 PolarHBondContact ND2-O 2.88Å |
| 127 | A | 98.2 | Very high | 97.5 | Very high | 19 Ų | 19 | 76 Ų | 76 | 16% | 0.157 | 37% | 0.374 | C | S | . | . | trans | -81.5 | 11.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T111 V112 L124 R125 L141 | T111-A127 CarbonylContact C-O 3.59Å; T111-A127 VanDerWaalsContact CA-O 3.27Å; T111-A127 WeakPolarHBondContact CA-O 3.28Å; V112-A127 PolarHBondContact N-O 2.88Å; L124-A127 HydrophobicContact CB-CB 3.7Å; L124-A127 HydrophobicContact CD1-CB 4Å; R125-A127 VanDerWaalsContact C-N 3.26Å; R125-A127 PolarHBondContact O-N 2.71Å; A127-L141 HydrophobicContact CB-CD1 4.26Å | ||
| 128 | T | 98.6 | Very high | 97.5 | Very high | 83 Ų | 83 | 69.4 Ų | 69.4 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.1 | 179.8 | -50.1 | 0 | 0 | 0 | 0 | 109.3 | L109 V110 T111 N126 | L109-T128 HydrophobicContact CD2-CG2 4.24Å; V110-T128 CarbonylContact O-C 3.46Å; V110-T128 WeakPolarHBondContact O-CA 3.5Å; T111-T128 HydrophobicContact CG2-CG2 4.06Å; N126-T128 PolarHBondContact O-N 2.82Å |
| 129 | A | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 70 Ų | 70 | 7% | 0.066 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 173.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V110 A136 F138 | V110-A129 PolarHBondContact N-O 2.83Å; V110-A129 PolarHBondContact O-N 3.06Å; A129-A136 HydrophobicContact CB-CB 4.03Å; A129-F138 HydrophobicContact CB-CD1 3.65Å; A129-F138 HydrophobicContact CB-CD2 3.81Å; A129-F138 HydrophobicContact CB-CE1 3.63Å; A129-F138 HydrophobicContact CB-CE2 3.81Å; A129-F138 HydrophobicContact CB-CG 3.74Å; A129-F138 HydrophobicContact CB-CZ 3.71Å |
| 130 | V | 98.3 | Very high | 97.6 | Very high | 76 Ų | 76 | 69.9 Ų | 69.9 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.8 | 177.6 | -176.6 | 0 | 0 | 0 | 0 | 107.7 | G107 L109 A136 | G107-V130 VanDerWaalsContact CA-CG1 3.47Å; L109-V130 HydrophobicContact CD2-CG2 4.12Å; V130-A136 WeakPolarHBondContact O-CA 3.33Å |
| 131 | I | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 130.7 | 171.1 | -70.8 | 169.7 | 0 | 0 | 0 | 109.1 | T100 I104 D106 G107 T108 V110 A136 V159 | T100-I131 HydrophobicContact CG2-CD1 3.81Å; T100-I131 HydrophobicContact CG2-CG1 4.43Å; I104-I131 HydrophobicContact CB-CD1 4.28Å; I104-I131 HydrophobicContact CG2-CD1 3.49Å; I104-I131 VanDerWaalsContact CG2-CD1 3.49Å; D106-I131 WeakPolarHBondContact CA-O 3.27Å; G107-I131 PolarHBondContact N-O 3.38Å; T108-I131 HydrophobicContact CG2-CD1 4.14Å; T108-I131 PolarHBondContact O-N 3Å; V110-I131 HydrophobicContact CG2-CD1 3.77Å; V110-I131 HydrophobicContact CG2-CG1 3.64Å; I131-A136 HydrophobicContact CG1-CB 3.82Å; I131-V159 HydrophobicContact CD1-CG1 3.68Å |
| 132 | K | 97.1 | Very high | 97.7 | Very high | 144 Ų | 144 | 58.8 Ų | 58.8 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 129.5 | 168.8 | -170 | -179.8 | -178 | 173.1 | 0 | 109.5 | D106 Q134 V135 | D106-K132 WeakPolarHBondContact OD1-CA 3.43Å; D106-K132 WeakPolarHBondContact OD2-CA 3.29Å; D106-K132 VanDerWaalsContact OD2-CG 3.27Å; D106-K132 WeakPolarHBondContact OD2-CG 3.27Å; K132-Q134 VanDerWaalsContact C-N 3.34Å; K132-Q134 PolarHBondContact O-N 2.91Å; K132-V135 PolarHBondContact N-O 2.72Å; K132-V135 PolarHBondContact O-N 3.44Å; K132-V135 VanDerWaalsContact O-O 3.04Å |
| 133 | N | 94.6 | Very high | 97.7 | Very high | 118 Ų | 118 | 58.6 Ų | 58.6 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 53.8 | -174.2 | -60.6 | -31.1 | 0 | 0 | 0 | 112.1 | D106 V135 | D106-N133 VanDerWaalsContact CG-N 3.35Å; D106-N133 PolarHBondContact OD1-N 3.27Å; D106-N133 PolarHBondContact OD2-N 2.88Å; N133-V135 PolarHBondContact O-N 2.87Å; N133-V135 VanDerWaalsContact O-N 3.13Å |
| 134 | Q | 94.8 | Very high | 97.7 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 12.6 | -177.6 | -59.9 | -70.1 | 107.2 | 0 | 0 | 115.8 | I53 V99 T100 G102 I104 K132 | I53-Q134 HydrophobicContact CB-CB 4.5Å; I53-Q134 HydrophobicContact CB-CG 4.3Å; I53-Q134 HydrophobicContact CD1-CB 4.27Å; I53-Q134 HydrophobicContact CG2-CB 4.34Å; I53-Q134 HydrophobicContact CG2-CG 4.48Å; V99-Q134 WeakPolarHBondContact CA-O 3.49Å; T100-Q134 PolarHBondContact N-O 2.92Å; T100-Q134 PolarHBondContact O-NE2 3.34Å; T100-Q134 WeakPolarHBondContact OG1-CA 3.44Å; T100-Q134 VanDerWaalsContact OG1-CD 3.29Å; T100-Q134 PolarHBondContact OG1-NE2 3.12Å; T100-Q134 PolarHBondContact OG1-O 2.96Å; G102-Q134 PolarHBondContact O-NE2 3.15Å; I104-Q134 PolarHBondContact O-OE1 3.17Å; K132-Q134 VanDerWaalsContact C-N 3.34Å; K132-Q134 PolarHBondContact O-N 2.91Å |
| 135 | V | 96.1 | Very high | 97.7 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 26% | 0.261 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 124.7 | -179.9 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | K97 L98 V99 K132 N133 | K97-V135 HydrophobicContact CB-CG1 4.2Å; K97-V135 HydrophobicContact CG-CG1 4.42Å; L98-V135 CarbonylContact O-C 3.57Å; L98-V135 WeakPolarHBondContact O-CA 3.28Å; V99-V135 HydrophobicContact CG1-CG2 4.28Å; V99-V135 HydrophobicContact CG2-CG1 4.33Å; V99-V135 HydrophobicContact CG2-CG2 4.13Å; K132-V135 PolarHBondContact N-O 2.72Å; K132-V135 PolarHBondContact O-N 3.44Å; K132-V135 VanDerWaalsContact O-O 3.04Å; N133-V135 PolarHBondContact O-N 2.87Å; N133-V135 VanDerWaalsContact O-N 3.13Å |
| 136 | A | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 106.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K97 L98 V110 A129 V130 I131 F138 | K97-A136 CarbonylContact C-O 3.59Å; K97-A136 WeakPolarHBondContact CA-O 3.4Å; L98-A136 HydrophobicContact CB-CB 4.28Å; L98-A136 PolarHBondContact N-O 3.39Å; L98-A136 PolarHBondContact O-N 2.8Å; V110-A136 HydrophobicContact CB-CB 4.12Å; V110-A136 HydrophobicContact CG2-CB 3.65Å; A129-A136 HydrophobicContact CB-CB 4.03Å; V130-A136 WeakPolarHBondContact O-CA 3.33Å; I131-A136 HydrophobicContact CG1-CB 3.82Å; A136-F138 HydrophobicContact CB-CE2 4.38Å |
| 137 | R | 97.5 | Very high | 97.7 | Very high | 172 Ų | 172 | 52.4 Ų | 52.4 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.2 | 177 | -175.8 | -177.7 | 179.8 | -140.4 | 1.8 | 110.4 | ||
| 138 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -81.6 | 129.1 | 178.4 | -66.1 | -103.4 | 0 | 0 | 0 | 110.4 | F96 L98 V110 V112 A129 A136 D140 L141 | F96-F138 HydrophobicContact CB-CB 4.47Å; F96-F138 AromaticContact CD1-CD2 3.54Å; F96-F138 HydrophobicContact CD1-CD2 3.54Å; F96-F138 AromaticContact CD1-CE2 3.85Å; F96-F138 HydrophobicContact CD1-CE2 3.85Å; F96-F138 HydrophobicContact CD1-CG 4.05Å; F96-F138 HydrophobicContact CE1-CD2 4.17Å; F96-F138 HydrophobicContact CE1-CE2 4Å; F96-F138 WeakPolarHBondContact O-CB 3.32Å; F96-F138 WeakPolarHBondContact O-CD2 3.29Å; F96-F138 PolarHBondContact O-N 3.18Å; L98-F138 HydrophobicContact CB-CE2 4.44Å; V110-F138 HydrophobicContact CB-CZ 4.15Å; V110-F138 HydrophobicContact CG1-CE2 4.45Å; V110-F138 HydrophobicContact CG1-CZ 3.79Å; V112-F138 HydrophobicContact CB-CE1 4.49Å; V112-F138 HydrophobicContact CG2-CD1 4.45Å; V112-F138 HydrophobicContact CG2-CE1 3.66Å; V112-F138 HydrophobicContact CG2-CE2 4.31Å; V112-F138 HydrophobicContact CG2-CZ 3.58Å; A129-F138 HydrophobicContact CB-CD1 3.65Å; A129-F138 HydrophobicContact CB-CD2 3.81Å; A129-F138 HydrophobicContact CB-CE1 3.63Å; A129-F138 HydrophobicContact CB-CE2 3.81Å; A129-F138 HydrophobicContact CB-CG 3.74Å; A129-F138 HydrophobicContact CB-CZ 3.71Å; A136-F138 HydrophobicContact CB-CE2 4.38Å; F138-D140 PolarHBondContact O-N 2.78Å; F138-L141 HydrophobicContact CB-CB 4.03Å | ||
| 139 | N | 97.4 | Very high | 97.6 | Very high | 126 Ų | 126 | 59.9 Ų | 59.9 | 67% | 0.674 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -83.3 | 102 | -179.9 | -171.1 | -79 | 0 | 0 | 0 | 109.8 | N126 L141 | N126-N139 WeakPolarHBondContact CB-O 3.1Å; N126-N139 PolarHBondContact ND2-O 3.09Å; N139-L141 PolarHBondContact O-N 2.91Å |
| 140 | D | 97.3 | Very high | 97.4 | Very high | 42 Ų | 42 | 62.8 Ų | 62.8 | 23% | 0.225 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 52.2 | 52.6 | 178.2 | -177.5 | 38 | 0 | 0 | 0 | 113.2 | T91 N126 F138 R142 | T91-D140 WeakPolarHBondContact CA-OD1 3.46Å; T91-D140 WeakPolarHBondContact CB-OD1 3.31Å; T91-D140 WeakPolarHBondContact CG2-OD1 3.05Å; T91-D140 PolarHBondContact OG1-OD1 2.79Å; N126-D140 PolarHBondContact ND2-O 2.88Å; F138-D140 PolarHBondContact O-N 2.78Å; D140-R142 VanDerWaalsContact CG-NE 3.3Å; D140-R142 VanDerWaalsContact O-CG 3.31Å; D140-R142 WeakPolarHBondContact O-CG 3.45Å; D140-R142 PolarHBondContact O-N 2.9Å; D140-R142 IonicContact OD1-CZ 3.76Å; D140-R142 IonicContact OD1-NE 2.74Å; D140-R142 PolarHBondContact OD1-NE 3.36Å; D140-R142 VanDerWaalsContact OD1-NE 3.1Å; D140-R142 IonicContact OD1-NH2 3.5Å; D140-R142 IonicContact OD2-CZ 2.75Å; D140-R142 IonicContact OD2-NE 2.75Å; D140-R142 PolarHBondContact OD2-NE 2.82Å; D140-R142 IonicContact OD2-NH2 3.57Å; D140-R142 PolarHBondContact OD2-NH2 2.84Å |
| 141 | L | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | trans | -55.4 | 126.1 | 171.1 | 176.6 | 65.3 | 0 | 0 | 0 | 109.9 | L92 F96 A127 F138 N139 F143 | L92-L141 HydrophobicContact CD1-CB 4.23Å; L92-L141 HydrophobicContact CD1-CD2 4.33Å; L92-L141 HydrophobicContact CD1-CG 4.37Å; F96-L141 HydrophobicContact CB-CB 4.44Å; F96-L141 HydrophobicContact CB-CD2 3.77Å; F96-L141 HydrophobicContact CD1-CD2 3.64Å; F96-L141 HydrophobicContact CE1-CD2 4.42Å; F96-L141 HydrophobicContact CG-CD2 3.79Å; A127-L141 HydrophobicContact CB-CD1 4.26Å; F138-L141 HydrophobicContact CB-CB 4.03Å; N139-L141 PolarHBondContact O-N 2.91Å; L141-F143 HydrophobicContact CD2-CZ 4.49Å | ||
| 142 | R | 98.6 | Very high | 97.4 | Very high | 56 Ų | 56 | 64.3 Ų | 64.3 | 21% | 0.211 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 142.3 | 175.7 | -43 | -165.8 | -171.5 | -171.2 | 2.5 | 112.6 | N89 T91 L124 R125 D140 | N89-R142 VanDerWaalsContact O-CD 3.28Å; N89-R142 WeakPolarHBondContact O-CD 3.38Å; N89-R142 PolarHBondContact O-NH1 2.77Å; T91-R142 VanDerWaalsContact OG1-CZ 3.23Å; T91-R142 PolarHBondContact OG1-NE 2.83Å; T91-R142 PolarHBondContact OG1-NH2 2.86Å; L124-R142 CarbonylContact C-O 3.17Å; L124-R142 WeakPolarHBondContact CA-O 3.25Å; R125-R142 HydrophobicContact CB-CB 4.3Å; R125-R142 PolarHBondContact N-O 2.94Å; R125-R142 PolarHBondContact O-N 2.88Å; D140-R142 VanDerWaalsContact CG-NE 3.3Å; D140-R142 VanDerWaalsContact O-CG 3.31Å; D140-R142 WeakPolarHBondContact O-CG 3.45Å; D140-R142 PolarHBondContact O-N 2.9Å; D140-R142 IonicContact OD1-CZ 3.76Å; D140-R142 IonicContact OD1-NE 2.74Å; D140-R142 PolarHBondContact OD1-NE 3.36Å; D140-R142 VanDerWaalsContact OD1-NE 3.1Å; D140-R142 IonicContact OD1-NH2 3.5Å; D140-R142 IonicContact OD2-CZ 2.75Å; D140-R142 IonicContact OD2-NE 2.75Å; D140-R142 PolarHBondContact OD2-NE 2.82Å; D140-R142 IonicContact OD2-NH2 3.57Å; D140-R142 PolarHBondContact OD2-NH2 2.84Å |
| 143 | F | 98.8 | Very high | 97.5 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 116.8 | 171.7 | -59.7 | -93.9 | 0 | 0 | 0 | 109.7 | L82 C88 N89 L92 A114 L124 L141 F153 L155 I173 I175 | L82-F143 HydrophobicContact CD1-CZ 4.19Å; C88-F143 CarbonylContact C-O 3.08Å; C88-F143 WeakPolarHBondContact CA-O 3.16Å; N89-F143 PolarHBondContact N-O 3.44Å; L92-F143 HydrophobicContact CD1-CE2 4.29Å; L92-F143 HydrophobicContact CD2-CD2 4.47Å; L92-F143 HydrophobicContact CD2-CE2 4.22Å; A114-F143 HydrophobicContact CB-CD1 4.19Å; A114-F143 HydrophobicContact CB-CE1 3.96Å; L124-F143 HydrophobicContact CD2-CB 4.16Å; L124-F143 HydrophobicContact CD2-CD1 3.27Å; L124-F143 HydrophobicContact CD2-CE1 3.75Å; L124-F143 HydrophobicContact CD2-CG 3.91Å; L141-F143 HydrophobicContact CD2-CZ 4.49Å; F143-F153 HydrophobicContact CD1-CD2 4.1Å; F143-F153 HydrophobicContact CD1-CE2 4.35Å; F143-L155 HydrophobicContact CE1-CD2 3.65Å; F143-L155 HydrophobicContact CZ-CD1 4.28Å; F143-L155 HydrophobicContact CZ-CD2 4.09Å; F143-I173 HydrophobicContact CD1-CG2 4.41Å; F143-I173 HydrophobicContact CD2-CD1 4.15Å; F143-I173 HydrophobicContact CE1-CG2 3.89Å; F143-I173 HydrophobicContact CE2-CD1 3.94Å; F143-I173 HydrophobicContact CE2-CG2 4.27Å; F143-I173 HydrophobicContact CZ-CG2 3.82Å; F143-I175 HydrophobicContact CB-CB 4.45Å; F143-I175 HydrophobicContact CB-CD1 3.6Å; F143-I175 HydrophobicContact CB-CG1 3.61Å; F143-I175 HydrophobicContact CB-CG2 4.08Å; F143-I175 HydrophobicContact CD1-CD1 4.49Å; F143-I175 HydrophobicContact CD1-CG1 4.21Å; F143-I175 HydrophobicContact CD2-CD1 3.9Å; F143-I175 HydrophobicContact CD2-CG1 4.48Å; F143-I175 HydrophobicContact CG-CD1 3.74Å; F143-I175 HydrophobicContact CG-CG1 3.85Å |
| 144 | V | 98.5 | Very high | 97.7 | Very high | 33 Ų | 33 | 53.1 Ų | 53.1 | 20% | 0.2 | 26% | 0.263 | C | S | . | . | trans | -96.4 | -45.5 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | C88 N89 E123 R125 | C88-V144 WeakPolarHBondContact CB-O 3.49Å; N89-V144 HydrophobicContact CB-CG2 4.29Å; E123-V144 HydrophobicContact CB-CB 4.11Å; E123-V144 HydrophobicContact CG-CB 3.99Å; E123-V144 HydrophobicContact CG-CG1 4.45Å; E123-V144 HydrophobicContact CG-CG2 4.47Å; E123-V144 WeakPolarHBondContact O-CA 3.47Å; E123-V144 PolarHBondContact O-N 2.94Å; E123-V144 WeakPolarHBondContact OE1-CG1 3.37Å; E123-V144 WeakPolarHBondContact OE2-CG1 3.3Å; R125-V144 HydrophobicContact CG-CG2 3.72Å | ||
| 145 | G | 97.8 | Very high | 97.9 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 13% | 0.134 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -60.2 | 145.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E123 F153 I175 | E123-G145 PolarHBondContact O-N 3.01Å; G145-F153 WeakPolarHBondContact O-CE2 3.47Å; G145-F153 WeakPolarHBondContact O-CZ 3.36Å; G145-I175 WeakPolarHBondContact O-CG2 3.46Å |
| 146 | R | 98.4 | Very high | 98 | Very high | 141 Ų | 141 | 52.3 Ų | 52.3 | 53% | 0.532 | 26% | 0.26 | S | S | . | . | trans | -93.6 | 148.2 | 177.8 | -67.9 | 168 | 56.6 | -169.9 | -5.3 | 110.7 | N119 F153 | N119-R146 PolarHBondContact ND2-O 3.14Å; R146-F153 WeakPolarHBondContact O-CZ 3.38Å | ||
| 147 | S | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -95.2 | 6.8 | -175.5 | 66.7 | 0 | 0 | 0 | 0 | 115 | N116 K151 K174 I175 | N116-S147 PolarHBondContact ND2-O 3.08Å; S147-K151 WeakPolarHBondContact CB-O 3.37Å; S147-K151 WeakPolarHBondContact O-CB 3.41Å; S147-K151 PolarHBondContact OG-O 3.2Å; S147-K174 WeakPolarHBondContact OG-CA 3.48Å; S147-I175 PolarHBondContact N-O 2.84Å; S147-I175 PolarHBondContact OG-N 3.28Å | ||
| 148 | G | 97.3 | Very high | 98.1 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | trans | 90.2 | 178.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.6 | G150 | G148-G150 PolarHBondContact O-N 3.03Š| ||
| 149 | R | 96.3 | Very high | 98.1 | Very high | 244 Ų | 244 | 45.1 Ų | 45.1 | 92% | 0.921 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -83.9 | 113.4 | 178.7 | -178.3 | -178.7 | 173.9 | 109.1 | -0.5 | 109.9 | K151 | R149-K151 PolarHBondContact O-N 3.09Š|
| 150 | G | 95.8 | Very high | 98.1 | Very high | 68 Ų | 68 | 44 Ų | 44 | 70% | 0.701 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 78 | -4.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | G148 | G148-G150 PolarHBondContact O-N 3.03Š|
| 151 | K | 98.1 | Very high | 98.1 | Very high | 72 Ų | 72 | 43.3 Ų | 43.3 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -96.4 | 142.6 | 176.7 | -72.6 | 177 | 172.1 | -168.3 | 0 | 111.3 | D117 E118 S147 R149 K174 | D117-K151 WeakPolarHBondContact OD2-CE 3.38Å; D117-K151 IonicContact OD2-NZ 3.72Å; D117-K151 PolarHBondContact OD2-NZ 3.36Å; E118-K151 HydrophobicContact CG-CD 3.35Å; E118-K151 WeakPolarHBondContact OE1-CE 3.21Å; E118-K151 IonicContact OE1-NZ 2.68Å; E118-K151 PolarHBondContact OE1-NZ 3.14Å; S147-K151 WeakPolarHBondContact CB-O 3.37Å; S147-K151 WeakPolarHBondContact O-CB 3.41Å; S147-K151 PolarHBondContact OG-O 3.2Å; R149-K151 PolarHBondContact O-N 3.09Å; K151-K174 WeakPolarHBondContact O-CG 3.48Å |
| 152 | S | 98.6 | Very high | 98 | Very high | 37 Ų | 37 | 51 Ų | 51 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 158 | 170.9 | -63.9 | 0 | 0 | 0 | 0 | 110.8 | N116 R171 I173 | N116-S152 PolarHBondContact ND2-O 3.06Å; S152-R171 VanDerWaalsContact CB-O 3.27Å; S152-R171 WeakPolarHBondContact CB-O 3.22Å; S152-R171 PolarHBondContact OG-O 2.99Å; S152-I173 CarbonylContact C-O 3.54Å; S152-I173 WeakPolarHBondContact CA-O 3.34Å |
| 153 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 147.3 | 160.4 | -67.7 | -51.3 | 0 | 0 | 0 | 111 | A114 N119 A122 F143 G145 R146 L155 R171 A172 I173 I175 | A114-F153 HydrophobicContact CB-CB 4.15Å; A114-F153 HydrophobicContact CB-CD1 4.47Å; A114-F153 HydrophobicContact CB-CD2 4.1Å; A114-F153 HydrophobicContact CB-CG 4.02Å; N119-F153 HydrophobicContact CB-CE1 4.2Å; A122-F153 HydrophobicContact CB-CD1 4.42Å; A122-F153 HydrophobicContact CB-CE1 3.56Å; A122-F153 HydrophobicContact CB-CE2 3.95Å; A122-F153 HydrophobicContact CB-CZ 3.26Å; F143-F153 HydrophobicContact CD1-CD2 4.1Å; F143-F153 HydrophobicContact CD1-CE2 4.35Å; G145-F153 WeakPolarHBondContact O-CE2 3.47Å; G145-F153 WeakPolarHBondContact O-CZ 3.36Å; R146-F153 WeakPolarHBondContact O-CZ 3.38Å; F153-L155 HydrophobicContact CB-CD2 4.35Å; F153-R171 CarbonylContact O-C 3.59Å; F153-R171 VanDerWaalsContact O-CA 3.27Å; F153-R171 WeakPolarHBondContact O-CA 3.02Å; F153-A172 PolarHBondContact O-N 3.32Å; F153-I173 HydrophobicContact CB-CG2 4.48Å; F153-I173 PolarHBondContact N-O 3.16Å; F153-I175 HydrophobicContact CD2-CB 4.41Å; F153-I175 HydrophobicContact CD2-CG1 3.87Å; F153-I175 HydrophobicContact CE2-CB 3.92Å; F153-I175 HydrophobicContact CE2-CG1 3.77Å |
| 154 | T | 98.6 | Very high | 97.9 | Very high | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.172 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 141.1 | 153.1 | -77.4 | 0 | 0 | 0 | 0 | 107.9 | A114 G115 T168 Y169 Q170 R171 | A114-T154 WeakPolarHBondContact CA-O 3.19Å; G115-T154 PolarHBondContact N-O 3.36Å; G115-T154 PolarHBondContact O-N 3.22Å; T154-T168 HydrophobicContact CG2-CG2 3.36Å; T154-Y169 WeakPolarHBondContact CA-O 3.23Å; T154-Q170 VanDerWaalsContact CG2-OE1 3.29Å; T154-Q170 WeakPolarHBondContact OG1-CA 3.28Å; T154-Q170 PolarHBondContact OG1-OE1 2.82Å; T154-R171 PolarHBondContact OG1-N 3.04Å |
| 155 | L | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 134.9 | 175.4 | -50 | -173.8 | 0 | 0 | 0 | 110.7 | L82 V112 M113 A114 F143 F153 T168 Y169 A172 I173 | L82-L155 HydrophobicContact CD1-CD1 3.47Å; L82-L155 VanDerWaalsContact CD1-CD1 3.47Å; V112-L155 HydrophobicContact CG1-CB 4.32Å; V112-L155 HydrophobicContact CG1-CD1 4.27Å; V112-L155 HydrophobicContact CG1-CD2 4.48Å; M113-L155 CarbonylContact O-C 3.53Å; M113-L155 VanDerWaalsContact O-CA 3.27Å; M113-L155 WeakPolarHBondContact O-CA 3.38Å; A114-L155 HydrophobicContact CB-CD2 3.54Å; F143-L155 HydrophobicContact CE1-CD2 3.65Å; F143-L155 HydrophobicContact CZ-CD1 4.28Å; F143-L155 HydrophobicContact CZ-CD2 4.09Å; F153-L155 HydrophobicContact CB-CD2 4.35Å; L155-T168 CarbonylContact O-C 3.56Å; L155-T168 VanDerWaalsContact O-CA 3.28Å; L155-T168 WeakPolarHBondContact O-CA 3.45Å; L155-T168 VanDerWaalsContact O-CG2 3.23Å; L155-T168 WeakPolarHBondContact O-CG2 3.38Å; L155-Y169 HydrophobicContact CD1-CD1 4.49Å; L155-Y169 PolarHBondContact N-O 2.91Å; L155-Y169 PolarHBondContact O-N 2.95Å; L155-A172 HydrophobicContact CD1-CB 4.19Å; L155-A172 HydrophobicContact CG-CB 3.97Å; L155-I173 HydrophobicContact CD2-CG2 4.39Å |
| 156 | T | 98.6 | Very high | 97.8 | Very high | 47 Ų | 47 | 61 Ų | 61 | 29% | 0.288 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117 | 169.7 | -54.2 | 0 | 0 | 0 | 0 | 107.6 | M113 V166 | M113-T156 HydrophobicContact CE-CG2 4.04Å; M113-T156 PolarHBondContact N-O 2.95Å; M113-T156 PolarHBondContact O-N 3.38Å; T156-V166 HydrophobicContact CG2-CG1 3.57Å |
| 157 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.3 | -176.9 | -45.3 | 177.2 | 0 | 0 | 0 | 107.6 | T72 C79 F96 L98 V110 T111 V112 V166 A167 | T72-I157 HydrophobicContact CG2-CD1 4.44Å; C79-I157 HydrophobicContact CB-CD1 4.23Å; F96-I157 HydrophobicContact CE1-CD1 4.4Å; F96-I157 HydrophobicContact CZ-CD1 3.95Å; L98-I157 HydrophobicContact CD1-CD1 3.97Å; L98-I157 HydrophobicContact CD1-CG2 4.08Å; L98-I157 HydrophobicContact CD2-CG2 3.99Å; V110-I157 HydrophobicContact CG1-CG2 3.64Å; T111-I157 CarbonylContact O-C 3.57Å; T111-I157 WeakPolarHBondContact O-CA 3.27Å; V112-I157 HydrophobicContact CG2-CG1 4.38Å; V112-I157 HydrophobicContact CG2-CG2 4.25Å; I157-V166 CarbonylContact O-C 3.53Å; I157-V166 WeakPolarHBondContact O-CA 3.1Å; I157-A167 WeakPolarHBondContact CA-O 3.27Å; I157-A167 WeakPolarHBondContact CB-O 3.46Å; I157-A167 PolarHBondContact N-O 3.19Å; I157-A167 PolarHBondContact O-N 2.81Å |
| 158 | T | 98.5 | Very high | 97.8 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.6 | -178.2 | -57.1 | 0 | 0 | 0 | 0 | 109.6 | V110 T111 F160 V166 | V110-T158 CarbonylContact C-O 3.56Å; V110-T158 VanDerWaalsContact CA-O 3.27Å; V110-T158 WeakPolarHBondContact CA-O 3.43Å; T111-T158 PolarHBondContact N-O 3Å; T111-T158 PolarHBondContact O-N 2.96Å; T158-F160 HydrophobicContact CG2-CD2 4.21Å; T158-F160 HydrophobicContact CG2-CE1 4.25Å; T158-F160 HydrophobicContact CG2-CE2 3.74Å; T158-F160 HydrophobicContact CG2-CZ 3.77Å; T158-V166 HydrophobicContact CG2-CG2 4.4Å |
| 159 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.5 | 175.1 | -175.9 | 0 | 0 | 0 | 0 | 108.5 | F77 L98 I104 T108 V110 I131 T161 P164 Q165 | F77-V159 HydrophobicContact CD1-CG2 4.38Å; F77-V159 HydrophobicContact CE1-CB 4.46Å; F77-V159 HydrophobicContact CE1-CG2 3.76Å; F77-V159 HydrophobicContact CZ-CB 4.27Å; F77-V159 HydrophobicContact CZ-CG2 3.9Å; L98-V159 HydrophobicContact CD2-CG2 3.49Å; L98-V159 VanDerWaalsContact CD2-CG2 3.49Å; I104-V159 HydrophobicContact CD1-CG1 4.11Å; I104-V159 HydrophobicContact CG2-CG1 4.39Å; T108-V159 HydrophobicContact CG2-CG1 3.82Å; V110-V159 HydrophobicContact CG1-CG2 4.14Å; V110-V159 HydrophobicContact CG2-CG1 4.28Å; V110-V159 HydrophobicContact CG2-CG2 4.13Å; I131-V159 HydrophobicContact CD1-CG1 3.68Å; V159-T161 HydrophobicContact CG1-CG2 4.27Å; V159-T161 PolarHBondContact O-N 2.93Å; V159-P164 WeakPolarHBondContact O-CA 3.48Å; V159-Q165 HydrophobicContact CB-CB 4.44Å; V159-Q165 PolarHBondContact N-O 2.94Å; V159-Q165 PolarHBondContact O-N 2.71Å |
| 160 | F | 98.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 45% | 0.452 | 29% | 0.288 | S | S | . | . | trans | -86.1 | 51.2 | -170.1 | -68.4 | -97.9 | 0 | 0 | 0 | 112.5 | L109 T111 T158 | L109-F160 HydrophobicContact CB-CB 4.2Å; L109-F160 HydrophobicContact CB-CD2 4.05Å; L109-F160 HydrophobicContact CB-CG 4.34Å; L109-F160 WeakPolarHBondContact O-CD2 3.17Å; L109-F160 PolarHBondContact O-N 2.88Å; T111-F160 HydrophobicContact CG2-CE2 3.82Å; T111-F160 HydrophobicContact CG2-CZ 4.33Å; T111-F160 WeakPolarHBondContact OG1-CE2 3.43Å; T158-F160 HydrophobicContact CG2-CD2 4.21Å; T158-F160 HydrophobicContact CG2-CE1 4.25Å; T158-F160 HydrophobicContact CG2-CE2 3.74Å; T158-F160 HydrophobicContact CG2-CZ 3.77Å | ||
| 161 | T | 97.3 | Very high | 98 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 17% | 0.172 | 29% | 0.291 | C | S | . | . | trans | -68.5 | 176.3 | 161.4 | 47.6 | 0 | 0 | 0 | 0 | 110.8 | I104 T108 V159 P163 P164 Q165 | I104-T161 HydrophobicContact CB-CG2 4.48Å; I104-T161 HydrophobicContact CD1-CG2 4.07Å; I104-T161 HydrophobicContact CG1-CG2 4.02Å; I104-T161 HydrophobicContact CG2-CG2 3.75Å; T108-T161 HydrophobicContact CG2-CG2 4.23Å; V159-T161 HydrophobicContact CG1-CG2 4.27Å; V159-T161 PolarHBondContact O-N 2.93Å; T161-P163 VanDerWaalsContact C-C 3.42Å; T161-P163 CarbonylContact C-O 3.54Å; T161-P163 WeakPolarHBondContact CB-O 3.45Å; T161-P163 CarbonylContact O-C 3.56Å; T161-P163 PolarHBondContact OG1-O 2.66Å; T161-P164 VanDerWaalsContact O-CA 3.28Å; T161-P164 WeakPolarHBondContact O-CA 3.31Å; T161-Q165 PolarHBondContact OG1-NE2 3.06Å; T161-Q165 VanDerWaalsContact OG1-NE2 3.09Å | ||
| 162 | N | 95.8 | Very high | 98 | Very high | 164 Ų | 164 | 53 Ų | 53 | 88% | 0.877 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -119.3 | 107.8 | 168.8 | -172.1 | 12.6 | 0 | 0 | 0 | 109.7 | ||
| 163 | P | 96.7 | Very high | 98 | Very high | 100 Ų | 100 | 51.2 Ų | 51.2 | 65% | 0.649 | 27% | 0.266 | S | S | * | . | S | Bend | cis | -68.3 | 158.8 | -2 | 30.6 | -36.5 | 0 | 0 | 0 | 112.8 | T161 | T161-P163 VanDerWaalsContact C-C 3.42Å; T161-P163 CarbonylContact C-O 3.54Å; T161-P163 WeakPolarHBondContact CB-O 3.45Å; T161-P163 CarbonylContact O-C 3.56Å; T161-P163 PolarHBondContact OG1-O 2.66Å |
| 164 | P | 97.8 | Very high | 98 | Very high | 83 Ų | 83 | 54 Ų | 54 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | trans | -63.5 | 140.4 | 174.6 | -22.8 | 34.3 | 0 | 0 | 0 | 111.7 | V159 T161 | V159-P164 WeakPolarHBondContact O-CA 3.48Å; T161-P164 VanDerWaalsContact O-CA 3.28Å; T161-P164 WeakPolarHBondContact O-CA 3.31Å | ||
| 165 | Q | 97.5 | Very high | 98 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 146.1 | 175.5 | -73.2 | 173.2 | 87.8 | 0 | 0 | 110.3 | N76 F77 V159 T161 | N76-Q165 PolarHBondContact ND2-OE1 3.4Å; F77-Q165 HydrophobicContact CE2-CB 3.9Å; F77-Q165 HydrophobicContact CZ-CB 4.01Å; V159-Q165 HydrophobicContact CB-CB 4.44Å; V159-Q165 PolarHBondContact N-O 2.94Å; V159-Q165 PolarHBondContact O-N 2.71Å; T161-Q165 PolarHBondContact OG1-NE2 3.06Å; T161-Q165 VanDerWaalsContact OG1-NE2 3.09Å |
| 166 | V | 97.9 | Very high | 98 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 140.5 | 177.4 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | T156 I157 T158 | T156-V166 HydrophobicContact CG2-CG1 3.57Å; I157-V166 CarbonylContact O-C 3.53Å; I157-V166 WeakPolarHBondContact O-CA 3.1Å; T158-V166 HydrophobicContact CG2-CG2 4.4Å |
| 167 | A | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 139.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | T72 D73 F77 I157 | T72-A167 HydrophobicContact CG2-CB 4.08Å; D73-A167 WeakPolarHBondContact OD1-CA 3.39Å; F77-A167 HydrophobicContact CB-CB 4.02Å; F77-A167 HydrophobicContact CD2-CB 3.81Å; F77-A167 HydrophobicContact CG-CB 4.16Å; I157-A167 WeakPolarHBondContact CA-O 3.27Å; I157-A167 WeakPolarHBondContact CB-O 3.46Å; I157-A167 PolarHBondContact N-O 3.19Å; I157-A167 PolarHBondContact O-N 2.81Å |
| 168 | T | 98.3 | Very high | 97.8 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.8 | -171.7 | -34.5 | 0 | 0 | 0 | 0 | 111.3 | D73 T154 L155 | D73-T168 PolarHBondContact N-O 3.41Å; D73-T168 VanDerWaalsContact N-O 3.12Å; D73-T168 PolarHBondContact OD1-N 3.2Å; D73-T168 WeakPolarHBondContact OD2-CB 3.45Å; D73-T168 PolarHBondContact OD2-OG1 2.89Å; T154-T168 HydrophobicContact CG2-CG2 3.36Å; L155-T168 CarbonylContact O-C 3.56Å; L155-T168 VanDerWaalsContact O-CA 3.28Å; L155-T168 WeakPolarHBondContact O-CA 3.45Å; L155-T168 VanDerWaalsContact O-CG2 3.23Å; L155-T168 WeakPolarHBondContact O-CG2 3.38Å |
| 169 | Y | 98.1 | Very high | 97.7 | Very high | 34 Ų | 34 | 58.1 Ų | 58.1 | 13% | 0.133 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 96.9 | 170.4 | -172.8 | -178.5 | 0 | 0 | 0 | 109.1 | V70 C79 L82 T154 L155 A172 | V70-Y169 HydrophobicContact CG1-CD1 4.4Å; V70-Y169 HydrophobicContact CG1-CE1 3.74Å; V70-Y169 HydrophobicContact CG1-CE2 4.28Å; C79-Y169 VanDerWaalsContact SG-CD1 3.51Å; L82-Y169 HydrophobicContact CB-CE1 4.4Å; L82-Y169 HydrophobicContact CD1-CE1 4.33Å; L82-Y169 HydrophobicContact CG-CE1 4.36Å; T154-Y169 WeakPolarHBondContact CA-O 3.23Å; L155-Y169 HydrophobicContact CD1-CD1 4.49Å; L155-Y169 PolarHBondContact N-O 2.91Å; L155-Y169 PolarHBondContact O-N 2.95Å; Y169-A172 HydrophobicContact CD1-CB 3.56Å; Y169-A172 HydrophobicContact CD2-CB 3.69Å; Y169-A172 HydrophobicContact CE1-CB 3.7Å; Y169-A172 HydrophobicContact CE2-CB 3.82Å; Y169-A172 HydrophobicContact CG-CB 3.54Å |
| 170 | Q | 97.9 | Very high | 97.7 | Very high | 110 Ų | 110 | 61.7 Ų | 61.7 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 130.4 | -174.6 | -67 | -67.4 | -11.6 | 0 | 0 | 112.8 | T154 A172 | T154-Q170 VanDerWaalsContact CG2-OE1 3.29Å; T154-Q170 WeakPolarHBondContact OG1-CA 3.28Å; T154-Q170 PolarHBondContact OG1-OE1 2.82Å; Q170-A172 PolarHBondContact O-N 3.28Å; Q170-A172 VanDerWaalsContact O-N 3.14Å |
| 171 | R | 97.4 | Very high | 97.5 | Very high | 199 Ų | 199 | 63.7 Ų | 63.7 | 75% | 0.751 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.5 | 23.7 | 177.1 | -57.5 | 179.2 | -68.5 | -133.9 | -1.9 | 115.2 | S152 F153 T154 I173 | S152-R171 VanDerWaalsContact CB-O 3.27Å; S152-R171 WeakPolarHBondContact CB-O 3.22Å; S152-R171 PolarHBondContact OG-O 2.99Å; F153-R171 CarbonylContact O-C 3.59Å; F153-R171 VanDerWaalsContact O-CA 3.27Å; F153-R171 WeakPolarHBondContact O-CA 3.02Å; T154-R171 PolarHBondContact OG1-N 3.04Å; R171-I173 PolarHBondContact O-N 3.43Å |
| 172 | A | 98 | Very high | 97.3 | Very high | 6 Ų | 6 | 69.5 Ų | 69.5 | 5% | 0.05 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.9 | -44 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L82 F153 L155 Y169 Q170 | L82-A172 HydrophobicContact CD1-CB 4.28Å; F153-A172 PolarHBondContact O-N 3.32Å; L155-A172 HydrophobicContact CD1-CB 4.19Å; L155-A172 HydrophobicContact CG-CB 3.97Å; Y169-A172 HydrophobicContact CD1-CB 3.56Å; Y169-A172 HydrophobicContact CD2-CB 3.69Å; Y169-A172 HydrophobicContact CE1-CB 3.7Å; Y169-A172 HydrophobicContact CE2-CB 3.82Å; Y169-A172 HydrophobicContact CG-CB 3.54Å; Q170-A172 PolarHBondContact O-N 3.28Å; Q170-A172 VanDerWaalsContact O-N 3.14Å |
| 173 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 133.6 | -167.4 | -176.8 | 158.2 | 0 | 0 | 0 | 113.5 | L82 P83 W86 L92 F143 S152 F153 L155 R171 I175 | L82-I173 HydrophobicContact CB-CB 4.4Å; L82-I173 HydrophobicContact CB-CD1 4.34Å; L82-I173 HydrophobicContact CD1-CB 4.49Å; L82-I173 HydrophobicContact CD1-CG2 4.25Å; P83-I173 WeakPolarHBondContact O-CD1 3.37Å; P83-I173 VanDerWaalsContact O-CG1 3.25Å; P83-I173 WeakPolarHBondContact O-CG1 3.5Å; W86-I173 HydrophobicContact CB-CD1 3.83Å; W86-I173 HydrophobicContact CB-CG1 4.41Å; L92-I173 HydrophobicContact CD2-CD1 4.2Å; F143-I173 HydrophobicContact CD1-CG2 4.41Å; F143-I173 HydrophobicContact CD2-CD1 4.15Å; F143-I173 HydrophobicContact CE1-CG2 3.89Å; F143-I173 HydrophobicContact CE2-CD1 3.94Å; F143-I173 HydrophobicContact CE2-CG2 4.27Å; F143-I173 HydrophobicContact CZ-CG2 3.82Å; S152-I173 CarbonylContact C-O 3.54Å; S152-I173 WeakPolarHBondContact CA-O 3.34Å; F153-I173 HydrophobicContact CB-CG2 4.48Å; F153-I173 PolarHBondContact N-O 3.16Å; L155-I173 HydrophobicContact CD2-CG2 4.39Å; R171-I173 PolarHBondContact O-N 3.43Å; I173-I175 HydrophobicContact CD1-CD1 3.66Å; I173-I175 HydrophobicContact CG1-CD1 3.58Å; I173-I175 HydrophobicContact CG1-CG1 4.14Å |
| 174 | K | 98.6 | Very high | 96.8 | Very high | 59 Ų | 59 | 72.8 Ų | 72.8 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.3 | 171.2 | 175.2 | -176.8 | 73.4 | -163.4 | 0 | 110.6 | T84 H85 W86 S147 K151 T176 | T84-K174 WeakPolarHBondContact O-CB 3.44Å; T84-K174 PolarHBondContact O-N 2.76Å; T84-K174 VanDerWaalsContact O-N 3.09Å; H85-K174 CarbonylContact C-O 3.19Å; H85-K174 VanDerWaalsContact CA-O 3.31Å; H85-K174 WeakPolarHBondContact CA-O 3.27Å; H85-K174 VanDerWaalsContact CD2-CE 3.43Å; H85-K174 WeakPolarHBondContact CD2-CE 3.42Å; H85-K174 PolarHBondContact CD2-O 3.32Å; H85-K174 WeakPolarHBondContact ND1-CE 3.48Å; H85-K174 PolarHBondContact ND1-NZ 2.68Å; W86-K174 PolarHBondContact N-O 2.85Å; S147-K174 WeakPolarHBondContact OG-CA 3.48Å; K151-K174 WeakPolarHBondContact O-CG 3.48Å; K174-T176 HydrophobicContact CG-CG2 4.39Å |
| 175 | I | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 80.4 Ų | 80.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.1 | -175 | -59.9 | -64.2 | 0 | 0 | 0 | 111.5 | W86 C88 F143 G145 S147 F153 I173 | W86-I175 HydrophobicContact CB-CD1 3.85Å; C88-I175 HydrophobicContact CB-CG2 3.66Å; F143-I175 HydrophobicContact CB-CB 4.45Å; F143-I175 HydrophobicContact CB-CD1 3.6Å; F143-I175 HydrophobicContact CB-CG1 3.61Å; F143-I175 HydrophobicContact CB-CG2 4.08Å; F143-I175 HydrophobicContact CD1-CD1 4.49Å; F143-I175 HydrophobicContact CD1-CG1 4.21Å; F143-I175 HydrophobicContact CD2-CD1 3.9Å; F143-I175 HydrophobicContact CD2-CG1 4.48Å; F143-I175 HydrophobicContact CG-CD1 3.74Å; F143-I175 HydrophobicContact CG-CG1 3.85Å; G145-I175 WeakPolarHBondContact O-CG2 3.46Å; S147-I175 PolarHBondContact N-O 2.84Å; S147-I175 PolarHBondContact OG-N 3.28Å; F153-I175 HydrophobicContact CD2-CB 4.41Å; F153-I175 HydrophobicContact CD2-CG1 3.87Å; F153-I175 HydrophobicContact CE2-CB 3.92Å; F153-I175 HydrophobicContact CE2-CG1 3.77Å; I173-I175 HydrophobicContact CD1-CD1 3.66Å; I173-I175 HydrophobicContact CG1-CD1 3.58Å; I173-I175 HydrophobicContact CG1-CG1 4.14Å |
| 176 | T | 98.3 | Very high | 94.9 | Very high | 30 Ų | 30 | 86 Ų | 86 | 18% | 0.184 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 168.6 | 177.9 | 75.2 | 0 | 0 | 0 | 0 | 112.5 | H85 W86 R87 C88 K174 D178 G179 | H85-T176 PolarHBondContact NE2-OG1 3.08Å; W86-T176 PolarHBondContact O-N 2.77Å; R87-T176 CarbonylContact C-O 3.55Å; R87-T176 WeakPolarHBondContact CA-O 3.47Å; C88-T176 PolarHBondContact N-O 3.36Å; K174-T176 HydrophobicContact CG-CG2 4.39Å; T176-D178 VanDerWaalsContact C-N 3.3Å; T176-D178 PolarHBondContact O-N 2.86Å; T176-G179 PolarHBondContact OG1-N 3Å |
| 177 | V | 98 | Very high | 93.6 | Very high | 72 Ų | 72 | 93.3 Ų | 93.3 | 44% | 0.436 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -62.3 | -35.6 | -179.4 | -178.9 | 0 | 0 | 0 | 0 | 113 | R87 | R87-V177 VanDerWaalsContact CG-O 3.3Å; R87-V177 WeakPolarHBondContact CG-O 3.15Å; R87-V177 PolarHBondContact NE-O 3.4Å |
| 178 | D | 96.3 | Very high | 91.8 | Very high | 74 Ų | 74 | 101.3 Ų | 101.3 | 40% | 0.396 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -90.2 | -35.6 | 179.6 | -73.7 | 12.1 | 0 | 0 | 0 | 112.1 | R87 T176 R181 | R87-D178 WeakPolarHBondContact CD-O 3.4Å; T176-D178 VanDerWaalsContact C-N 3.3Å; T176-D178 PolarHBondContact O-N 2.86Å; D178-R181 HydrophobicContact CB-CB 4.43Å; D178-R181 IonicContact OD1-NH1 3.89Å; D178-R181 WeakPolarHBondContact OD2-CD 3.39Å; D178-R181 IonicContact OD2-CZ 2.82Å; D178-R181 IonicContact OD2-NE 3.16Å; D178-R181 IonicContact OD2-NH1 2.7Å; D178-R181 PolarHBondContact OD2-NH1 3.04Å |
| 179 | G | 96.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 107.5 Ų | 107.5 | 4% | 0.041 | 48% | 0.483 | C | S | . | . | trans | 71.9 | -157.5 | -162.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | H85 W86 T176 | H85-G179 PolarHBondContact CE1-O 3.29Å; H85-G179 WeakPolarHBondContact NE2-CA 3.43Å; H85-G179 PolarHBondContact NE2-O 3.01Å; W86-G179 WeakPolarHBondContact O-CA 3.36Å; T176-G179 PolarHBondContact OG1-N 3Å | ||
| 180 | P | 96.8 | Very high | 87.8 | Confident | 75 Ų | 75 | 112.9 Ų | 112.9 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -55.2 | 135.4 | 162.4 | -21.6 | 33.4 | 0 | 0 | 0 | 109.8 | H85 | H85-P180 HydrophobicContact CB-CG 4.18Å; H85-P180 WeakPolarHBondContact O-CD 3.38Å; H85-P180 WeakPolarHBondContact O-CG 3.43Å |
| 181 | R | 95.1 | Very high | 85.8 | Confident | 146 Ų | 146 | 113 Ų | 113 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | trans | -152.1 | 144.9 | -175.8 | -176.3 | 176.1 | -177.6 | 168.5 | 9.7 | 110.1 | D178 | D178-R181 HydrophobicContact CB-CB 4.43Å; D178-R181 IonicContact OD1-NH1 3.89Å; D178-R181 WeakPolarHBondContact OD2-CD 3.39Å; D178-R181 IonicContact OD2-CZ 2.82Å; D178-R181 IonicContact OD2-NE 3.16Å; D178-R181 IonicContact OD2-NH1 2.7Å; D178-R181 PolarHBondContact OD2-NH1 3.04Å | ||
| 182 | E | 92.4 | Very high | 83.2 | Confident | 149 Ų | 149 | 111.4 Ų | 111.4 | 70% | 0.696 | 52% | 0.518 | S | S | * | . | trans | -63.3 | 146.6 | -179.2 | -59.3 | 63.7 | -133.5 | 0 | 0 | 111 | R184 | E182-R184 PolarHBondContact O-N 3.3Å; E182-R184 VanDerWaalsContact O-N 3.08Å | ||
| 183 | P | 93.1 | Very high | 80.9 | Confident | 127 Ų | 127 | 117.1 Ų | 117.1 | 83% | 0.825 | 55% | 0.552 | S | S | * | * | trans | -54 | 117.2 | 171.1 | -26.1 | 35.3 | 0 | 0 | 0 | 111.3 | R185 | P183-R185 PolarHBondContact O-N 3.36Å; P183-R185 VanDerWaalsContact O-N 3.14Å | ||
| 184 | R | 88.8 | Confident | 78.7 | Confident | 207 Ų | 207 | 126.3 Ų | 126.3 | 78% | 0.781 | 59% | 0.592 | S | S | * | * | trans | -65.2 | 115.8 | 179.6 | -64.9 | -171.2 | -63 | 164 | 1 | 109.4 | E182 H186 | E182-R184 PolarHBondContact O-N 3.3Å; E182-R184 VanDerWaalsContact O-N 3.08Å; R184-H186 PolarHBondContact O-N 3.06Å | ||
| 185 | R | 83.9 | Confident | 76.3 | Confident | 243 Ų | 243 | 129 Ų | 129 | 92% | 0.917 | 62% | 0.615 | S | S | * | * | trans | -54.5 | 135.1 | 174.1 | -66 | -176.9 | -178.7 | -118.7 | 0.7 | 109.9 | P183 R187 | P183-R185 PolarHBondContact O-N 3.36Å; P183-R185 VanDerWaalsContact O-N 3.14Å; R185-R187 PolarHBondContact O-N 3.48Å | ||
| 186 | H | 72.9 | Confident | 74.1 | Confident | 171 Ų | 171 | 132.8 Ų | 132.8 | 79% | 0.792 | 66% | 0.655 | S | S | * | * | trans | -69.2 | 98.6 | 177.1 | -178.5 | -81.8 | 0 | 0 | 0 | 109.7 | R184 Q188 | R184-H186 PolarHBondContact O-N 3.06Å; H186-Q188 PolarHBondContact O-N 2.75Å | ||
| 187 | R | 70.9 | Confident | 72.1 | Confident | 230 Ų | 230 | 136.9 Ų | 136.9 | 87% | 0.868 | 69% | 0.685 | S | S | * | * | trans | -59.2 | 110.5 | 173.2 | 172.1 | 172.7 | 168.1 | 163.3 | -4.8 | 108.5 | R185 K189 | R185-R187 PolarHBondContact O-N 3.48Å; R187-K189 PolarHBondContact O-N 3.36Å | ||
| 188 | Q | 59.3 | Low | 70.2 | Confident | 169 Ų | 169 | 138.6 Ų | 138.6 | 79% | 0.79 | 69% | 0.691 | S | S | * | * | trans | -55.9 | 130.3 | 167.8 | -76.3 | 173.6 | -35 | 0 | 0 | 108.7 | H186 L190 | H186-Q188 PolarHBondContact O-N 2.75Å; Q188-L190 PolarHBondContact O-N 2.75Å; Q188-L190 VanDerWaalsContact O-N 3.16Å | ||
| 189 | K | 56.5 | Low | 68.6 | Low | 153 Ų | 153 | 138.6 Ų | 138.6 | 67% | 0.665 | 70% | 0.701 | S | S | * | * | trans | -80.4 | 94.8 | 179.4 | -176 | 176.6 | -177.1 | -74.9 | 0 | 107.2 | R187 D191 | R187-K189 PolarHBondContact O-N 3.36Å; K189-D191 IonicContact NZ-OD1 2.62Å; K189-D191 PolarHBondContact NZ-OD1 3.04Å; K189-D191 IonicContact NZ-OD2 2.64Å; K189-D191 PolarHBondContact NZ-OD2 3.3Å; K189-D191 PolarHBondContact O-N 3.15Å | ||
| 190 | L | 55.7 | Low | 66.7 | Low | 147 Ų | 147 | 146.9 Ų | 146.9 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | -67.3 | 102.8 | 165.7 | -172.5 | 148.8 | 0 | 0 | 0 | 106.9 | Q188 E192 | Q188-L190 PolarHBondContact O-N 2.75Å; Q188-L190 VanDerWaalsContact O-N 3.16Å; L190-E192 HydrophobicContact CD2-CB 3.85Å | ||
| 191 | D | 55.5 | Low | 65.1 | Low | 113 Ų | 113 | 145.9 Ų | 145.9 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | trans | -86.5 | 101.7 | 169.8 | -89.3 | -42.8 | 0 | 0 | 0 | 109 | K189 | K189-D191 IonicContact NZ-OD1 2.62Å; K189-D191 PolarHBondContact NZ-OD1 3.04Å; K189-D191 IonicContact NZ-OD2 2.64Å; K189-D191 PolarHBondContact NZ-OD2 3.3Å; K189-D191 PolarHBondContact O-N 3.15Å | ||
| 192 | E | 43.9 | Very low | 63.5 | Low | 165 Ų | 165 | 142.5 Ų | 142.5 | 77% | 0.771 | 72% | 0.724 | S | S | * | * | trans | -134.4 | 93.4 | 160.3 | -165.2 | 174.4 | 177.4 | 0 | 0 | 108.4 | L190 K194 | L190-E192 HydrophobicContact CD2-CB 3.85Å; E192-K194 PolarHBondContact O-N 2.72Å | ||
| 193 | V | 48.8 | Very low | 62.1 | Low | 125 Ų | 125 | 144.5 Ų | 144.5 | 76% | 0.758 | 73% | 0.725 | S | S | * | * | trans | -82.7 | 104.4 | 175.1 | 176.9 | 0 | 0 | 0 | 0 | 107.8 | P195 | V193-P195 VanDerWaalsContact O-CD 3.27Å; V193-P195 WeakPolarHBondContact O-CD 3.19Å | ||
| 194 | K | 53.2 | Low | 60.9 | Low | 194 Ų | 194 | 143.7 Ų | 143.7 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | trans | -86.2 | 109.4 | 168.2 | -172.5 | 169.6 | -175.6 | 171.6 | 0 | 109.5 | E192 | E192-K194 PolarHBondContact O-N 2.72Š| ||
| 195 | P | 47.1 | Very low | 60.2 | Low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 69% | 0.693 | S | S | * | * | trans | -74.1 | 148.6 | 177.8 | 31.6 | -35 | 0 | 0 | 0 | 111.1 | V193 | V193-P195 VanDerWaalsContact O-CD 3.27Å; V193-P195 WeakPolarHBondContact O-CD 3.19Å | ||
| 196 | G | 52.9 | Low | 59.4 | Low | 81 Ų | 81 | 130.5 Ų | 130.5 | 84% | 0.835 | 68% | 0.675 | S | S | * | * | S | Bend | trans | 94.6 | 71.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 197 | S | 55.4 | Low | 59.4 | Low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | trans | 174 | 81.1 | 134.7 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 198 | L | 58.3 | Low | 59.5 | Low | 108 Ų | 108 | 121.9 Ų | 121.9 | 57% | 0.565 | 65% | 0.648 | S | S | * | * | trans | -130.4 | 129.1 | 176.7 | -52.5 | 171 | 0 | 0 | 0 | 107.9 | S201 D202 | L198-S201 VanDerWaalsContact CD2-CB 3.5Å; L198-D202 VanDerWaalsContact C-OD2 3.25Å; L198-D202 VanDerWaalsContact CB-CG 3.48Å; L198-D202 WeakPolarHBondContact CB-OD1 3.27Å; L198-D202 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 199 | A | 63.8 | Low | 60.1 | Low | 73 Ų | 73 | 119.3 Ų | 119.3 | 60% | 0.603 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -162.4 | -48.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 200 | F | 56.7 | Low | 60.6 | Low | 179 Ų | 179 | 116.6 Ų | 116.6 | 79% | 0.785 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81.7 | -40.5 | 163.8 | -97.2 | -90.7 | 0 | 0 | 0 | 111.9 | D202 R203 L204 | F200-D202 VanDerWaalsContact C-N 3.28Å; F200-D202 PolarHBondContact O-N 3.44Å; F200-R203 PolarHBondContact O-N 3.27Å; F200-L204 PolarHBondContact O-N 3.35Å |
| 201 | S | 62 | Low | 61.1 | Low | 54 Ų | 54 | 119.6 Ų | 119.6 | 38% | 0.378 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -58.6 | -38.6 | 177.2 | -167.5 | 0 | 0 | 0 | 0 | 112.1 | L198 L204 T205 | L198-S201 VanDerWaalsContact CD2-CB 3.5Å; S201-L204 PolarHBondContact O-N 2.74Å; S201-T205 WeakPolarHBondContact O-CB 3.33Å; S201-T205 PolarHBondContact O-N 3.39Å; S201-T205 PolarHBondContact O-OG1 3.31Å |
| 202 | D | 62 | Low | 61.4 | Low | 75 Ų | 75 | 121.3 Ų | 121.3 | 40% | 0.401 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.7 | -41.6 | 178.6 | -66.9 | -38.1 | 0 | 0 | 0 | 112.5 | L198 F200 L204 T205 E206 | L198-D202 VanDerWaalsContact C-OD2 3.25Å; L198-D202 VanDerWaalsContact CB-CG 3.48Å; L198-D202 WeakPolarHBondContact CB-OD1 3.27Å; L198-D202 WeakPolarHBondContact CB-OD2 3.47Å; F200-D202 VanDerWaalsContact C-N 3.28Å; F200-D202 PolarHBondContact O-N 3.44Å; D202-L204 PolarHBondContact O-N 2.8Å; D202-T205 CarbonylContact O-C 3.49Å; D202-T205 PolarHBondContact O-N 3.42Å; D202-E206 VanDerWaalsContact O-CB 3.24Å; D202-E206 WeakPolarHBondContact O-CB 3.4Å; D202-E206 PolarHBondContact O-N 3.47Å |
| 203 | R | 63.3 | Low | 62.1 | Low | 190 Ų | 190 | 115.9 Ų | 115.9 | 72% | 0.717 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.8 | -35.9 | 177.3 | -68.1 | -173.3 | 178.4 | -148.1 | -1.2 | 112.8 | F200 L207 | F200-R203 PolarHBondContact O-N 3.27Å; R203-L207 WeakPolarHBondContact O-CB 3.07Å; R203-L207 PolarHBondContact O-N 3.17Å |
| 204 | L | 67.6 | Low | 62.5 | Low | 111 Ų | 111 | 114.5 Ų | 114.5 | 58% | 0.581 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.9 | -40.6 | 172.4 | -69.3 | 174.5 | 0 | 0 | 0 | 111.3 | F200 S201 D202 E206 L207 E208 | F200-L204 PolarHBondContact O-N 3.35Å; S201-L204 PolarHBondContact O-N 2.74Å; D202-L204 PolarHBondContact O-N 2.8Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-L207 PolarHBondContact O-N 3.39Å; L204-E208 PolarHBondContact O-N 2.77Å |
| 205 | T | 75.4 | Confident | 62.8 | Low | 57 Ų | 57 | 112.2 Ų | 112.2 | 35% | 0.35 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.2 | -37.3 | 175.8 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | S201 D202 E208 Q209 | S201-T205 WeakPolarHBondContact O-CB 3.33Å; S201-T205 PolarHBondContact O-N 3.39Å; S201-T205 PolarHBondContact O-OG1 3.31Å; D202-T205 CarbonylContact O-C 3.49Å; D202-T205 PolarHBondContact O-N 3.42Å; T205-E208 CarbonylContact O-C 3.36Å; T205-E208 PolarHBondContact O-N 3.24Å; T205-Q209 WeakPolarHBondContact O-CB 3.4Å; T205-Q209 VanDerWaalsContact O-CG 3.23Å; T205-Q209 WeakPolarHBondContact O-CG 3.46Å; T205-Q209 PolarHBondContact O-N 2.89Å |
| 206 | E | 67.3 | Low | 63.5 | Low | 116 Ų | 116 | 116.3 Ų | 116.3 | 54% | 0.542 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.8 | -43.6 | 173.9 | -176.7 | 176 | -150.7 | 0 | 0 | 110.9 | D202 L204 E208 Q209 L210 | D202-E206 VanDerWaalsContact O-CB 3.24Å; D202-E206 WeakPolarHBondContact O-CB 3.4Å; D202-E206 PolarHBondContact O-N 3.47Å; L204-E206 VanDerWaalsContact C-N 3.34Å; E206-E208 PolarHBondContact O-N 3.48Å; E206-Q209 CarbonylContact O-C 3.5Å; E206-Q209 WeakPolarHBondContact O-CA 3.23Å; E206-Q209 WeakPolarHBondContact O-CB 3.47Å; E206-Q209 PolarHBondContact O-N 2.64Å; E206-Q209 VanDerWaalsContact O-N 3.08Å; E206-L210 HydrophobicContact CG-CD1 4.19Å; E206-L210 WeakPolarHBondContact O-CD1 3.34Å; E206-L210 PolarHBondContact O-N 2.86Å |
| 207 | L | 72.9 | Confident | 63.3 | Low | 111 Ų | 111 | 117.6 Ų | 117.6 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.8 | -37.5 | 174.6 | -171.3 | 62.9 | 0 | 0 | 0 | 112.4 | R203 L204 L210 R211 | R203-L207 WeakPolarHBondContact O-CB 3.07Å; R203-L207 PolarHBondContact O-N 3.17Å; L204-L207 PolarHBondContact O-N 3.39Å; L207-L210 PolarHBondContact O-N 3.08Å; L207-R211 PolarHBondContact O-N 3.48Å |
| 208 | E | 71.8 | Confident | 62.7 | Low | 109 Ų | 109 | 118 Ų | 118 | 51% | 0.509 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.3 | -36.3 | 168.3 | -82.2 | -159.3 | -154.5 | 0 | 0 | 112.8 | L204 T205 E206 R211 R212 | L204-E208 PolarHBondContact O-N 2.77Å; T205-E208 CarbonylContact O-C 3.36Å; T205-E208 PolarHBondContact O-N 3.24Å; E206-E208 PolarHBondContact O-N 3.48Å; E208-R211 WeakPolarHBondContact O-CB 3.2Å; E208-R211 PolarHBondContact O-N 3.4Å; E208-R212 WeakPolarHBondContact O-CG 3.45Å; E208-R212 PolarHBondContact O-N 3.05Å; E208-R212 IonicContact OE2-CZ 3.16Å; E208-R212 IonicContact OE2-NH2 2.8Å; E208-R212 PolarHBondContact OE2-NH2 3.29Å |
| 209 | Q | 71.6 | Confident | 62 | Low | 115 Ų | 115 | 118 Ų | 118 | 54% | 0.537 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.9 | -36 | 175.2 | -78.6 | -178.9 | 40.3 | 0 | 0 | 111.3 | T205 E206 R211 R212 S213 | T205-Q209 WeakPolarHBondContact O-CB 3.4Å; T205-Q209 VanDerWaalsContact O-CG 3.23Å; T205-Q209 WeakPolarHBondContact O-CG 3.46Å; T205-Q209 PolarHBondContact O-N 2.89Å; E206-Q209 CarbonylContact O-C 3.5Å; E206-Q209 WeakPolarHBondContact O-CA 3.23Å; E206-Q209 WeakPolarHBondContact O-CB 3.47Å; E206-Q209 PolarHBondContact O-N 2.64Å; E206-Q209 VanDerWaalsContact O-N 3.08Å; Q209-R211 VanDerWaalsContact C-N 3.31Å; Q209-R211 PolarHBondContact O-N 2.62Å; Q209-R212 CarbonylContact O-C 3.55Å; Q209-R212 WeakPolarHBondContact O-CA 3.34Å; Q209-R212 WeakPolarHBondContact O-CB 3.45Å; Q209-R212 PolarHBondContact O-N 3.17Å; Q209-S213 WeakPolarHBondContact O-CB 3.35Å; Q209-S213 PolarHBondContact O-N 3.38Å; Q209-S213 PolarHBondContact O-OG 2.73Å |
| 210 | L | 66.8 | Low | 61 | Low | 96 Ų | 96 | 120.2 Ų | 120.2 | 50% | 0.503 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -58.1 | -41.3 | 173.6 | -102.2 | 67 | 0 | 0 | 0 | 111.8 | E206 L207 R212 S213 S214 | E206-L210 HydrophobicContact CG-CD1 4.19Å; E206-L210 WeakPolarHBondContact O-CD1 3.34Å; E206-L210 PolarHBondContact O-N 2.86Å; L207-L210 PolarHBondContact O-N 3.08Å; L210-R212 PolarHBondContact O-N 3.43Å; L210-S213 WeakPolarHBondContact CA-OG 3.17Å; L210-S213 PolarHBondContact O-N 3.14Å; L210-S213 PolarHBondContact O-OG 2.95Å; L210-S214 WeakPolarHBondContact O-CB 3.24Å; L210-S214 PolarHBondContact O-N 3.42Å |
| 211 | R | 66.2 | Low | 60.2 | Low | 209 Ų | 209 | 120.2 Ų | 120.2 | 79% | 0.789 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.6 | -28.5 | 171 | -68.4 | -79.5 | -159.9 | 145.5 | 6.2 | 113 | L207 E208 Q209 | L207-R211 PolarHBondContact O-N 3.48Å; E208-R211 WeakPolarHBondContact O-CB 3.2Å; E208-R211 PolarHBondContact O-N 3.4Å; Q209-R211 VanDerWaalsContact C-N 3.31Å; Q209-R211 PolarHBondContact O-N 2.62Å |
| 212 | R | 62.7 | Low | 58.9 | Low | 149 Ų | 149 | 125.1 Ų | 125.1 | 56% | 0.562 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -96.9 | -17.9 | -177.6 | -60.9 | 172.2 | -164.6 | -164.4 | 9.2 | 113.9 | E208 Q209 L210 | E208-R212 WeakPolarHBondContact O-CG 3.45Å; E208-R212 PolarHBondContact O-N 3.05Å; E208-R212 IonicContact OE2-CZ 3.16Å; E208-R212 IonicContact OE2-NH2 2.8Å; E208-R212 PolarHBondContact OE2-NH2 3.29Å; Q209-R212 CarbonylContact O-C 3.55Å; Q209-R212 WeakPolarHBondContact O-CA 3.34Å; Q209-R212 WeakPolarHBondContact O-CB 3.45Å; Q209-R212 PolarHBondContact O-N 3.17Å; L210-R212 PolarHBondContact O-N 3.43Å |
| 213 | S | 57.7 | Low | 57.7 | Low | 52 Ų | 52 | 130 Ų | 130 | 36% | 0.364 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -98.4 | -34.1 | 179.2 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | Q209 L210 I215 R216 V217 | Q209-S213 WeakPolarHBondContact O-CB 3.35Å; Q209-S213 PolarHBondContact O-N 3.38Å; Q209-S213 PolarHBondContact O-OG 2.73Å; L210-S213 WeakPolarHBondContact CA-OG 3.17Å; L210-S213 PolarHBondContact O-N 3.14Å; L210-S213 PolarHBondContact O-OG 2.95Å; S213-I215 PolarHBondContact O-N 3.22Å; S213-I215 VanDerWaalsContact O-N 3.14Å; S213-R216 CarbonylContact O-C 3.6Å; S213-R216 WeakPolarHBondContact O-CA 3.42Å; S213-R216 PolarHBondContact O-N 2.72Å; S213-V217 PolarHBondContact O-N 2.78Å |
| 214 | S | 57.8 | Low | 56.3 | Low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -54 | -32.9 | 172.4 | 171.1 | 0 | 0 | 0 | 0 | 112.8 | L210 R216 | L210-S214 WeakPolarHBondContact O-CB 3.24Å; L210-S214 PolarHBondContact O-N 3.42Å; S214-R216 PolarHBondContact O-N 2.79Å |
| 215 | I | 60.7 | Low | 54.8 | Low | 146 Ų | 146 | 131.7 Ų | 131.7 | 75% | 0.749 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -73.9 | -11.8 | 175.5 | -66 | 171.7 | 0 | 0 | 0 | 112.8 | S213 | S213-I215 PolarHBondContact O-N 3.22Å; S213-I215 VanDerWaalsContact O-N 3.14Å |
| 216 | R | 61.6 | Low | 52.8 | Low | 201 Ų | 201 | 136.5 Ų | 136.5 | 76% | 0.758 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -119 | 6.9 | -176.2 | -79.9 | -170.6 | -84.8 | -162.7 | -2.5 | 114.9 | S213 S214 | S213-R216 CarbonylContact O-C 3.6Å; S213-R216 WeakPolarHBondContact O-CA 3.42Å; S213-R216 PolarHBondContact O-N 2.72Å; S214-R216 PolarHBondContact O-N 2.79Å |
| 217 | V | 47.1 | Very low | 51.1 | Low | 108 Ų | 108 | 139.4 Ų | 139.4 | 66% | 0.655 | 69% | 0.692 | S | S | * | * | trans | -104.9 | 70.3 | 173.3 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | S213 | S213-V217 PolarHBondContact O-N 2.78Š| ||
| 218 | T | 44.6 | Very low | 49 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 76% | 0.761 | 70% | 0.7 | S | S | * | * | trans | -97.9 | 113 | 147.1 | 49.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 219 | P | 43.5 | Very low | 47.1 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 133.9 | -177.2 | -23.8 | 33.8 | 0 | 0 | 0 | 111.5 | ||
| 220 | P | 41.9 | Very low | 45.1 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 138.4 | 166.9 | 28.9 | -33.1 | 0 | 0 | 0 | 109.2 | N222 | P220-N222 PolarHBondContact O-N 3.37Š|
| 221 | H | 39.1 | Very low | 43.5 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 122.1 | 175.9 | -122 | -21 | 0 | 0 | 0 | 109.5 | H223 | H221-H223 PolarHBondContact O-N 3.28Š|
| 222 | N | 36.3 | Very low | 41.9 | Very low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | -62.8 | 106.8 | 171 | -108.5 | 6.9 | 0 | 0 | 0 | 109.7 | P220 H224 | P220-N222 PolarHBondContact O-N 3.37Å; N222-H224 PolarHBondContact O-N 3.47Å | ||
| 223 | H | 35.2 | Very low | 40.4 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 82% | 0.824 | 74% | 0.744 | S | S | * | * | trans | -84.3 | 99.7 | 162.8 | -95.7 | 32.8 | 0 | 0 | 0 | 109.1 | H221 H225 | H221-H223 PolarHBondContact O-N 3.28Å; H223-H225 PolarHBondContact O-N 3.02Å | ||
| 224 | H | 35.4 | Very low | 39.1 | Very low | 169 Ų | 169 | 144 Ų | 144 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | -78.1 | 98.3 | 176.4 | -175.3 | 79.9 | 0 | 0 | 0 | 109.5 | N222 | N222-H224 PolarHBondContact O-N 3.47Š| ||
| 225 | H | 36.3 | Very low | 37.8 | Very low | 167 Ų | 167 | 144.6 Ų | 144.6 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -94.7 | 118.8 | 173.7 | -160.5 | 56.1 | 0 | 0 | 0 | 110 | H223 | H223-H225 PolarHBondContact O-N 3.02Š| ||
| 226 | Q | 32.9 | Very low | 36.6 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -70.8 | 139.7 | 173.2 | -64.9 | 174.3 | -17.9 | 0 | 0 | 110.1 | ||||
| 227 | Q | 30.2 | Very low | 35.2 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -134.5 | 153.8 | 150.8 | -76.7 | -160.6 | -12.3 | 0 | 0 | 110.6 | ||||
| 228 | S | 29.3 | Very low | 34.5 | Very low | 109 Ų | 109 | 142.4 Ų | 142.4 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -78.2 | 156.6 | -164.4 | -176.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 229 | V | 32.8 | Very low | 33.7 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -48.6 | 137.9 | 163 | -99.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 230 | N | 29.5 | Very low | 33.1 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -149.5 | 150.7 | 133.3 | -143.8 | -2.4 | 0 | 0 | 0 | 110.3 | ||||
| 231 | S | 32.6 | Very low | 32.6 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 59% | 0.594 | 80% | 0.795 | S | S | * | * | trans | -97.6 | 148.3 | -175.1 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 232 | H | 32.3 | Very low | 32.2 | Very low | 162 Ų | 162 | 143.5 Ų | 143.5 | 75% | 0.75 | 80% | 0.799 | S | S | * | * | 174.9 | 124.3 | 120.1 | -90.6 | -66.4 | 0 | 0 | 0 | 113.5 | |||||
| 233 | Q | 32.5 | Very low | 31.9 | Very low | 168 Ų | 168 | 141 Ų | 141 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | 50.4 | 109.1 | 146.4 | -60.7 | -175.4 | 11.2 | 0 | 0 | 122.3 | ||||
| 234 | S | 28.8 | Very low | 31.7 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | 64.8 | 104.7 | 118 | -52 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 235 | A | 31.6 | Very low | 32 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -138.8 | 143.2 | 138.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 236 | V | 35.1 | Very low | 32.4 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -117.8 | 145.5 | -174.6 | 168.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 237 | L | 32.6 | Very low | 32.5 | Very low | 154 Ų | 154 | 135 Ų | 135 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -173.8 | 117.8 | 134 | -99.6 | 168.8 | 0 | 0 | 0 | 113.4 | ||||
| 238 | T | 31.8 | Very low | 32.7 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 41.6 | 112.1 | 147.7 | 53.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 239 | S | 28.8 | Very low | 32.9 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -81.1 | 155.8 | 145.3 | 50.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 240 | A | 30.8 | Very low | 32.9 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | trans | -123.9 | 119.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 241 | T | 29.9 | Very low | 32.9 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | trans | -102.8 | 136.9 | 172.5 | -57.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 242 | F | 31 | Very low | 32.8 | Very low | 208 Ų | 208 | 130.8 Ų | 130.8 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | trans | -124.7 | 135.8 | 172.4 | -128.2 | -87.3 | 0 | 0 | 0 | 111 | ||||
| 243 | S | 30.1 | Very low | 32.7 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -105.6 | 151.8 | -172.5 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 244 | S | 31.6 | Very low | 32.6 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -116.1 | 136.1 | 172.9 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 245 | P | 42.4 | Very low | 32.8 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -86.5 | 151.7 | -179.6 | 34.3 | -34.9 | 0 | 0 | 0 | 113.1 | ||||
| 246 | P | 43.9 | Very low | 33 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -100.7 | 144.5 | 174.1 | 36.9 | -31.4 | 0 | 0 | 0 | 113.1 | ||||
| 247 | H | 34.9 | Very low | 33.1 | Very low | 198 Ų | 198 | 136.6 Ų | 136.6 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | -145.4 | 156.9 | 159.5 | -87.2 | -75.4 | 0 | 0 | 0 | 110.1 | ||||
| 248 | S | 34.8 | Very low | 33 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | trans | -148.7 | 154.1 | -160.4 | 52.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 249 | G | 32.4 | Very low | 33.2 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 102.8 | 155.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 250 | L | 33 | Very low | 33.3 | Very low | 160 Ų | 160 | 137 Ų | 137 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | cis | -166.8 | 161.5 | -13 | -123.5 | 178.7 | 0 | 0 | 0 | 109.9 | ||||
| 251 | T | 29.6 | Very low | 33.7 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 65.7 | 155.9 | 174.7 | 84 | 0 | 0 | 0 | 0 | 117 | ||||
| 252 | A | 31.1 | Very low | 34 | Very low | 89 Ų | 89 | 136.2 Ų | 136.2 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | cis | -144.2 | 138.5 | 3.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 253 | D | 30.6 | Very low | 34.2 | Very low | 155 Ų | 155 | 137.2 Ų | 137.2 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | 56.4 | 149.1 | 143.2 | -126.1 | -62.3 | 0 | 0 | 0 | 126.1 | ||||
| 254 | S | 29.2 | Very low | 34.3 | Very low | 77 Ų | 77 | 138.2 Ų | 138.2 | 54% | 0.538 | 80% | 0.797 | S | S | . | * | trans | 80 | 98 | 148.2 | -82.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 255 | R | 33.8 | Very low | 34.3 | Very low | 224 Ų | 224 | 143.2 Ų | 143.2 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | 97.1 | 122.5 | 118.1 | -71.7 | 170.7 | -166.4 | -111.3 | -1.6 | 121.6 | |||||
| 256 | Q | 35 | Very low | 33.9 | Very low | 180 Ų | 180 | 143.8 Ų | 143.8 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | 72.9 | 116 | 137 | -65.3 | -88.2 | -89.5 | 0 | 0 | 119 | ||||
| 257 | I | 37.3 | Very low | 33.4 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -76.5 | 134.4 | 164.1 | -61.3 | 160.8 | 0 | 0 | 0 | 108.4 | ||||
| 258 | Q | 31.8 | Very low | 33.3 | Very low | 186 Ų | 186 | 140.5 Ų | 140.5 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -137.8 | 143.2 | 161.6 | -166.8 | 165.9 | -8.8 | 0 | 0 | 110.7 | ||||
| 259 | S | 35.3 | Very low | 33.2 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 149.2 | -169.2 | 51.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 260 | S | 30.4 | Very low | 34 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 143.6 | 174.3 | -45.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 261 | P | 40.7 | Very low | 33.9 | Very low | 92 Ų | 92 | 149.6 Ų | 149.6 | 60% | 0.597 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 142.8 | 166.4 | 32.6 | -33.3 | 0 | 0 | 0 | 111.3 | ||
| 262 | S | 34.9 | Very low | 34.1 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 131.1 | 171.1 | -58.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 263 | W | 35.8 | Very low | 34.1 | Very low | 229 Ų | 229 | 149.3 Ų | 149.3 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -103.2 | 114 | 176.3 | -42.4 | -63.9 | 0 | 0 | 0 | 111.3 | ||||
| 264 | S | 32.5 | Very low | 34.4 | Very low | 125 Ų | 125 | 150.6 Ų | 150.6 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -77.5 | 147.5 | 164.4 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 265 | Y | 31.3 | Very low | 34.6 | Very low | 223 Ų | 223 | 154.9 Ų | 154.9 | 88% | 0.875 | 79% | 0.793 | S | S | * | * | trans | -122.3 | 117.2 | 178.4 | -174.1 | -86.8 | 0 | 0 | 0 | 111.2 | ||||
| 266 | D | 34.4 | Very low | 34.5 | Very low | 130 Ų | 130 | 150.6 Ų | 150.6 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -152.9 | 157 | 161.6 | -167.7 | 22.9 | 0 | 0 | 0 | 110.6 | ||||
| 267 | Q | 32.5 | Very low | 34.6 | Very low | 154 Ų | 154 | 147.6 Ų | 147.6 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 66.2 | 90.4 | 168.6 | -44.6 | -153.4 | 11.9 | 0 | 0 | 121 | ||||
| 268 | S | 32.8 | Very low | 34.6 | Very low | 88 Ų | 88 | 145.3 Ų | 145.3 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | 58 | 125.8 | 106.4 | -55.5 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 269 | Y | 32.5 | Very low | 34.7 | Very low | 221 Ų | 221 | 141.7 Ų | 141.7 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | 74.7 | 171.4 | 151.9 | -61 | -55.5 | 0 | 0 | 0 | 118.7 | ||||
| 270 | P | 49.2 | Very low | 34.5 | Very low | 104 Ų | 104 | 143.3 Ų | 143.3 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | -140.1 | 144.5 | -64.6 | 39.7 | -24.1 | 0 | 0 | 0 | 115.4 | |||||
| 271 | Y | 31 | Very low | 34.5 | Very low | 222 Ų | 222 | 145.3 Ų | 145.3 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | -154 | 112.2 | 156.7 | -102.9 | -89.9 | 0 | 0 | 0 | 108.4 | ||||
| 272 | L | 35 | Very low | 33.9 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | 85.7 | 120.2 | 85 | -171.7 | 71 | 0 | 0 | 0 | 113.8 | |||||
| 273 | G | 30.9 | Very low | 33.6 | Very low | 72 Ų | 72 | 147.5 Ų | 147.5 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -142.2 | 127.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 274 | Q | 36.4 | Very low | 33.5 | Very low | 182 Ų | 182 | 141 Ų | 141 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -84.7 | 138.4 | -174.3 | -61.2 | 174.5 | -71.2 | 0 | 0 | 111.8 | ||||
| 275 | I | 33.3 | Very low | 34.3 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 86% | 0.862 | 77% | 0.771 | S | S | * | * | trans | -135 | 136.2 | 155.4 | -56.7 | -177.7 | 0 | 0 | 0 | 108.2 | ||||
| 276 | T | 32.3 | Very low | 34.3 | Very low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -74 | 140.7 | -169.4 | -45.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 277 | T | 37.3 | Very low | 34.1 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 144.4 | 165.5 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 278 | P | 35.9 | Very low | 35 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 122 | 160.7 | 33.5 | -25.8 | 0 | 0 | 0 | 110.8 | ||
| 279 | T | 33.3 | Very low | 35 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -125 | 118.5 | 171.5 | -63.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 280 | V | 31.9 | Very low | 35.1 | Very low | 140 Ų | 140 | 135.4 Ų | 135.4 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -137.7 | 99.5 | 170.9 | -176 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 281 | H | 30.9 | Very low | 34.3 | Very low | 153 Ų | 153 | 135 Ų | 135 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | trans | -15.2 | 155.7 | 142.9 | -68.9 | -69.7 | 0 | 0 | 0 | 117.4 | ||||
| 282 | T | 28.4 | Very low | 34.4 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 68% | 0.681 | 78% | 0.778 | S | S | * | * | cis | -173 | 145.9 | -0.3 | -98.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 283 | T | 29 | Very low | 34.4 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -164 | 145.8 | 142.5 | 21.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 284 | A | 33.7 | Very low | 34.5 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -123.1 | -171.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 285 | P | 48.1 | Very low | 34.4 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -129.9 | -171.4 | -9.1 | 42.3 | -26.6 | 0 | 0 | 0 | 112.9 | ||||
| 286 | L | 30.9 | Very low | 34.6 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | -178 | 146 | 129 | -99.2 | 166.9 | 0 | 0 | 0 | 112.5 | |||||
| 287 | S | 31.7 | Very low | 34.6 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -157.6 | 152 | 172.2 | -54.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 288 | P | 51 | Low | 34.4 | Very low | 133 Ų | 133 | 127.7 Ų | 127.7 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | -147.4 | 176.1 | 84.9 | 35.2 | -16 | 0 | 0 | 0 | 114 | |||||
| 289 | G | 32.5 | Very low | 34.3 | Very low | 65 Ų | 65 | 132.7 Ų | 132.7 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | cis | 151.5 | -170.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 290 | R | 34.3 | Very low | 34.4 | Very low | 237 Ų | 237 | 135 Ų | 135 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | trans | 74.3 | 157.1 | 170.8 | -46.7 | -175.2 | 79 | -146.6 | 4.6 | 117.6 | ||||
| 291 | S | 32.2 | Very low | 34.4 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | 164.3 | 124.7 | -58.4 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 292 | S | 34.3 | Very low | 34.5 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 175.6 | 128.1 | 152.1 | 51.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 293 | L | 34.9 | Very low | 35.5 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 94% | 0.942 | 79% | 0.792 | S | S | * | * | trans | 54.9 | 154.1 | 136.8 | -52.4 | 172.1 | 0 | 0 | 0 | 120.5 | ||||
| 294 | G | 31.6 | Very low | 35.6 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | cis | 177.3 | 159.2 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 295 | D | 35.5 | Very low | 35.7 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | -69.3 | 153.9 | -170.7 | -80.4 | -67.5 | 0 | 0 | 0 | 117.2 | ||||
| 296 | L | 36.2 | Very low | 35.1 | Very low | 176 Ų | 176 | 134.7 Ų | 134.7 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | -147.2 | 135.5 | 141.7 | -104.4 | -179.7 | 0 | 0 | 0 | 113.1 | ||||
| 297 | S | 33.8 | Very low | 35.7 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -97.6 | 172.1 | 177.1 | -111.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 298 | S | 32.7 | Very low | 35.6 | Very low | 79 Ų | 79 | 136.2 Ų | 136.2 | 55% | 0.552 | 79% | 0.788 | S | S | * | * | cis | -172.3 | 179 | -2.3 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 299 | R | 33.7 | Very low | 34.7 | Very low | 229 Ų | 229 | 132.8 Ų | 132.8 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 78.5 | 145.5 | 163.2 | -59.6 | 151.5 | -168.4 | -101.8 | -4 | 114.6 | ||||
| 300 | L | 34.9 | Very low | 35.4 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | cis | -130.2 | 170.6 | 32.4 | -75.7 | 159.3 | 0 | 0 | 0 | 115.8 | ||||
| 301 | T | 33.1 | Very low | 36 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | trans | -26.9 | 157.5 | 166.3 | 48.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 302 | G | 31.6 | Very low | 36.7 | Very low | 68 Ų | 68 | 136.1 Ų | 136.1 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | cis | -175.1 | -171.4 | 16 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 303 | P | 50.3 | Low | 37.1 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | trans | -114.1 | 172.8 | -142 | 42.2 | -37.8 | 0 | 0 | 0 | 118.7 | ||||
| 304 | D | 30.9 | Very low | 37 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 67.4 | 146.9 | 161 | -61.1 | -42.3 | 0 | 0 | 0 | 118 | ||||
| 305 | L | 35.1 | Very low | 37.2 | Very low | 168 Ų | 168 | 141 Ų | 141 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | cis | -131.8 | 154.9 | 28.1 | -68.2 | 156.2 | 0 | 0 | 0 | 114.6 | ||||
| 306 | T | 36.1 | Very low | 37.2 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | trans | -89.1 | 177 | 156.6 | 61.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 307 | P | 43.4 | Very low | 37.2 | Very low | 96 Ų | 96 | 140.4 Ų | 140.4 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | cis | -143.4 | 179.7 | 12.2 | 43.1 | -23.9 | 0 | 0 | 0 | 117.2 | ||||
| 308 | F | 30.6 | Very low | 37.9 | Very low | 211 Ų | 211 | 141.2 Ų | 141.2 | 93% | 0.925 | 77% | 0.771 | S | S | * | * | trans | 55.6 | 153 | 167.9 | -61.1 | -72.8 | 0 | 0 | 0 | 117.2 | ||||
| 309 | G | 31.6 | Very low | 37.9 | Very low | 61 Ų | 61 | 147.1 Ų | 147.1 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | cis | -177.4 | 177 | -0.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | P311 | G309-P311 WeakPolarHBondContact O-CD 3.39Š| ||
| 310 | D | 45.8 | Very low | 37.7 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -69.1 | 127.1 | -179.7 | 176.7 | 11.9 | 0 | 0 | 0 | 112.7 | R312 | D310-R312 PolarHBondContact OD1-N 3.39Š| ||
| 311 | P | 48.1 | Very low | 37.5 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -115.8 | 59.9 | 171.3 | 39.8 | -25.2 | 0 | 0 | 0 | 113 | G309 | G309-P311 WeakPolarHBondContact O-CD 3.39Š| ||
| 312 | R | 46.7 | Very low | 37.8 | Very low | 215 Ų | 215 | 140.6 Ų | 140.6 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -60.4 | 134.6 | 140.7 | -63.3 | -173.2 | 82.6 | 122.2 | 0 | 107.6 | D310 | D310-R312 PolarHBondContact OD1-N 3.39Š| ||
| 313 | M | 41.8 | Very low | 38 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 93% | 0.931 | 79% | 0.786 | S | S | * | * | trans | 89.9 | 94.7 | -175.7 | -49.6 | -111.9 | -175.7 | 0 | 0 | 115.2 | ||||
| 314 | A | 33.1 | Very low | 37.5 | Very low | 99 Ų | 99 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -149.3 | 78.1 | 161 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 315 | L | 36.8 | Very low | 37.8 | Very low | 172 Ų | 172 | 144.5 Ų | 144.5 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -150.3 | 87.7 | 172.2 | -165.1 | 78.2 | 0 | 0 | 0 | 111.1 | ||||
| 316 | E | 34.2 | Very low | 38.3 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 62% | 0.617 | 79% | 0.787 | S | S | * | * | trans | -141.7 | 119.9 | 177.4 | -91.8 | -78 | -135.3 | 0 | 0 | 112.1 | ||||
| 317 | R | 36.3 | Very low | 38.4 | Very low | 198 Ų | 198 | 142.7 Ų | 142.7 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | trans | 65.5 | 161.6 | 160.7 | -67.8 | 172.9 | -170.5 | 87.1 | 29.9 | 119.5 | ||||
| 318 | P | 48.2 | Very low | 37.9 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | cis | -123.5 | -176.6 | -14 | 21.5 | 2.4 | 0 | 0 | 0 | 114.7 | ||||
| 319 | F | 32.6 | Very low | 38.1 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | trans | -88.1 | 155.9 | -168.8 | -75.8 | -100.7 | 0 | 0 | 0 | 116.9 | ||||
| 320 | S | 29.8 | Very low | 38.4 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -168.2 | 151.9 | 135.7 | -80.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 321 | S | 31.8 | Very low | 37.7 | Very low | 98 Ų | 98 | 150 Ų | 150 | 69% | 0.685 | 81% | 0.809 | S | S | * | * | cis | -169.7 | 102.3 | -21.7 | 52.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 322 | L | 38 | Very low | 37.3 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | 63.9 | 169.6 | 165.3 | -55.7 | 174.3 | 0 | 0 | 0 | 117.7 | ||||
| 323 | P | 37 | Very low | 37.2 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | cis | -117.6 | 177.4 | -18.1 | 38.4 | -25.1 | 0 | 0 | 0 | 113.5 | ||||
| 324 | S | 40.1 | Very low | 37 | Very low | 112 Ų | 112 | 148.8 Ų | 148.8 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -117 | 144.6 | 175.2 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 325 | L | 37.6 | Very low | 37.6 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | trans | -140.4 | 160.4 | 171.2 | -82.8 | 177.5 | 0 | 0 | 0 | 110.6 | ||||
| 326 | P | 44.2 | Very low | 37.5 | Very low | 111 Ų | 111 | 150.7 Ų | 150.7 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -107.6 | 163.6 | -132.8 | 39.2 | -38.5 | 0 | 0 | 0 | 117.1 | ||||
| 327 | D | 39.3 | Very low | 37.5 | Very low | 144 Ų | 144 | 155 Ų | 155 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -70.4 | 137.7 | 164.1 | -179.7 | 16.3 | 0 | 0 | 0 | 111.4 | ||||
| 328 | S | 32.5 | Very low | 38 | Very low | 110 Ų | 110 | 151.1 Ų | 151.1 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -160.8 | 147.7 | 170.8 | -86.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 329 | R | 35.6 | Very low | 37.9 | Very low | 222 Ų | 222 | 150.8 Ų | 150.8 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -101 | 148.9 | -167 | -77.1 | 168 | -88.4 | -174.8 | -7.7 | 112.8 | ||||
| 330 | F | 35.9 | Very low | 38.2 | Very low | 202 Ų | 202 | 147.9 Ų | 147.9 | 89% | 0.886 | 81% | 0.811 | S | S | * | * | trans | 44.5 | 115.4 | 154 | -87 | -95.2 | 0 | 0 | 0 | 119.4 | ||||
| 331 | S | 32 | Very low | 38.5 | Very low | 129 Ų | 129 | 145.9 Ų | 145.9 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -161.3 | 157.3 | 130.8 | -89.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 332 | N | 39.7 | Very low | 38.7 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | trans | -112.9 | 124.2 | -171.5 | -179 | 5.9 | 0 | 0 | 0 | 110.4 | R334 | N332-R334 PolarHBondContact O-N 3.22Š| ||
| 333 | P | 45.6 | Very low | 38.4 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -89.8 | 103 | 178 | 33.1 | -30.5 | 0 | 0 | 0 | 112.1 | ||||
| 334 | R | 36.3 | Very low | 38.3 | Very low | 220 Ų | 220 | 145.7 Ų | 145.7 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | trans | -76.7 | 142.9 | 167.1 | -174.8 | 174.1 | 178.9 | 163.6 | -1.8 | 110.1 | N332 | N332-R334 PolarHBondContact O-N 3.22Š| ||
| 335 | V | 46.2 | Very low | 37.7 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | -45.6 | 134 | -176.4 | -77 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 336 | H | 34.9 | Very low | 37.4 | Very low | 181 Ų | 181 | 148.1 Ų | 148.1 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | trans | -144.1 | 124.6 | 163.4 | -87.3 | -91 | 0 | 0 | 0 | 111.1 | ||||
| 337 | Y | 34.2 | Very low | 36.9 | Very low | 223 Ų | 223 | 148 Ų | 148 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | trans | -91.8 | 173.9 | 151.8 | -80.2 | -89.1 | 0 | 0 | 0 | 107.9 | ||||
| 338 | P | 45.8 | Very low | 36.8 | Very low | 115 Ų | 115 | 147 Ų | 147 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | cis | -129.1 | -147.3 | 10.9 | 45.5 | -26.5 | 0 | 0 | 0 | 110.5 | ||||
| 339 | P | 47.5 | Very low | 36.9 | Very low | 118 Ų | 118 | 148.5 Ų | 148.5 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | cis | -129.5 | -171.3 | -13.3 | 40.5 | -21.9 | 0 | 0 | 0 | 115.3 | ||||
| 340 | T | 39.1 | Very low | 36.9 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | trans | -63.4 | 145 | 178.2 | 50.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 341 | G | 35.8 | Very low | 36.9 | Very low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 173.5 | 138 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 342 | A | 35.3 | Very low | 37.6 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | trans | 63.6 | 152 | 167.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 343 | A | 32.9 | Very low | 37.3 | Very low | 79 Ų | 79 | 142.1 Ų | 142.1 | 65% | 0.653 | 80% | 0.795 | S | S | * | * | trans | -116.6 | 165 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 344 | F | 33 | Very low | 36.7 | Very low | 196 Ų | 196 | 140.8 Ų | 140.8 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | -178.9 | 146.1 | 116.5 | -93.9 | -61.6 | 0 | 0 | 0 | 112.6 | |||||
| 345 | T | 28.2 | Very low | 36.6 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 63% | 0.632 | 79% | 0.792 | S | S | * | * | trans | 31.4 | 123.5 | 146.5 | -45.2 | 0 | 0 | 0 | 0 | 120.8 | T347 | T345-T347 HydrophobicContact CG2-CG2 4.24Š| ||
| 346 | Y | 31 | Very low | 36 | Very low | 232 Ų | 232 | 136.1 Ų | 136.1 | 91% | 0.91 | 79% | 0.794 | S | S | * | * | trans | -124.8 | 138.1 | 138.4 | -96.1 | -86.3 | 0 | 0 | 0 | 110.5 | ||||
| 347 | T | 33.4 | Very low | 36.1 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | trans | -93.5 | 139.3 | 177.2 | 39.6 | 0 | 0 | 0 | 0 | 110.9 | T345 | T345-T347 HydrophobicContact CG2-CG2 4.24Š| ||
| 348 | P | 37.1 | Very low | 36.5 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -82.9 | 114.1 | 168.3 | 31.6 | -30.3 | 0 | 0 | 0 | 110.1 | ||||
| 349 | T | 34.6 | Very low | 35.8 | Very low | 141 Ų | 141 | 129 Ų | 129 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -78.4 | 132.9 | 165.9 | 34.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 350 | H | 37.1 | Very low | 35.5 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -139.4 | 130.2 | -176.8 | -161.6 | -79.6 | 0 | 0 | 0 | 109.5 | ||||
| 351 | N | 34.8 | Very low | 35.4 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 84% | 0.84 | 79% | 0.793 | S | S | * | * | trans | -160.7 | 158.3 | 169.4 | -116.2 | 1.2 | 0 | 0 | 0 | 110 | ||||
| 352 | P | 46.6 | Very low | 35.4 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 59% | 0.591 | 80% | 0.798 | S | S | * | * | -135.1 | 169.5 | -124.4 | 38.9 | -21 | 0 | 0 | 0 | 115.8 | |||||
| 353 | V | 33.9 | Very low | 35.6 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | trans | -133.6 | 134 | 152.9 | 177.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 354 | S | 32.7 | Very low | 35.8 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | -94.6 | 142.2 | -174.2 | -54 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 355 | N | 33.8 | Very low | 35.9 | Very low | 170 Ų | 170 | 133 Ų | 133 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | 172.9 | 142.8 | 116 | -86.2 | -14.7 | 0 | 0 | 0 | 111.6 | |||||
| 356 | G | 34.9 | Very low | 36.2 | Very low | 81 Ų | 81 | 136.4 Ų | 136.4 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 129.8 | 95.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 357 | A | 36.4 | Very low | 36.4 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -87.2 | 146.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 358 | I | 43.2 | Very low | 36.5 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | -163.3 | 133.8 | 128.4 | -95.9 | 148 | 0 | 0 | 0 | 107.4 | |||||
| 359 | S | 31.2 | Very low | 36.2 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -101 | 150.5 | 175.7 | 50.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 360 | I | 40 | Very low | 36.1 | Very low | 170 Ų | 170 | 132 Ų | 132 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -159.4 | 154.5 | 147.4 | -102.3 | 147.4 | 0 | 0 | 0 | 108.3 | ||||
| 361 | T | 36.7 | Very low | 35.9 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -104.6 | 164.1 | -150.3 | -50.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 362 | M | 37.3 | Very low | 35.8 | Very low | 177 Ų | 177 | 126.2 Ų | 126.2 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -53.3 | 156.6 | 174.6 | -44.7 | 173.1 | -170.5 | 0 | 0 | 114.6 | ||||
| 363 | A | 38.7 | Very low | 35.5 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -154.6 | 134.1 | 131 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 364 | T | 36.5 | Very low | 35.3 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -108.9 | 138.3 | 171.8 | -64.1 | 0 | 0 | 0 | 0 | 109.3 | M366 | T364-M366 HydrophobicContact CG2-CG 4.2Š| ||
| 365 | A | 36.8 | Very low | 35.5 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -138.9 | 138.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 366 | M | 34.1 | Very low | 35.5 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -133.5 | 132.7 | -174.7 | -67 | -91.5 | -160.1 | 0 | 0 | 109.6 | T364 | T364-M366 HydrophobicContact CG2-CG 4.2Š| ||
| 367 | A | 34.8 | Very low | 35.7 | Very low | 90 Ų | 90 | 144.6 Ų | 144.6 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -171.7 | 123.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 368 | T | 34.3 | Very low | 36.3 | Very low | 132 Ų | 132 | 147.8 Ų | 147.8 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | 34.3 | 136.1 | 133.5 | 64.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 369 | T | 32.4 | Very low | 36.5 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | cis | -151.8 | 148.4 | 22.1 | 44.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 370 | Q | 32.5 | Very low | 37.3 | Very low | 170 Ų | 170 | 145.8 Ų | 145.8 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 51.2 | 138.8 | 138.3 | -65.6 | -169.7 | -2 | 0 | 0 | 125 | ||||
| 371 | T | 32.3 | Very low | 37.9 | Very low | 139 Ų | 139 | 143.6 Ų | 143.6 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | 74.3 | 143.4 | 152.9 | 55.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 372 | G | 32.7 | Very low | 37.9 | Very low | 68 Ų | 68 | 148.4 Ų | 148.4 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | 97.2 | 98.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 373 | R | 40 | Very low | 38.7 | Very low | 225 Ų | 225 | 146 Ų | 146 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | trans | -76.4 | 139.9 | 166.5 | -66.3 | -178.4 | -179.5 | -124 | 3.9 | 110.9 | ||||
| 374 | Y | 31 | Very low | 38.6 | Very low | 233 Ų | 233 | 145.6 Ų | 145.6 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | trans | -138.8 | 158.6 | 156.3 | -79.5 | -73.2 | 0 | 0 | 0 | 111.6 | ||||
| 375 | H | 36.3 | Very low | 38.5 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | -128.8 | 146.6 | -172.7 | -99.7 | -86.9 | 0 | 0 | 0 | 111.2 | ||||
| 376 | T | 34.2 | Very low | 38.6 | Very low | 117 Ų | 117 | 147.5 Ų | 147.5 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | trans | 64.5 | 126 | 147 | -53.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 377 | Y | 38.3 | Very low | 39.4 | Very low | 234 Ų | 234 | 144 Ų | 144 | 92% | 0.918 | 79% | 0.791 | S | S | * | * | trans | -76.2 | 148.5 | 171.3 | -69.1 | -99.9 | 0 | 0 | 0 | 112.8 | ||||
| 378 | L | 48.5 | Very low | 39.4 | Very low | 163 Ų | 163 | 148.1 Ų | 148.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -142.7 | 138.1 | 165.9 | -95.5 | 155.3 | 0 | 0 | 0 | 109.4 | ||||
| 379 | P | 47.9 | Very low | 39.3 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 161 | 178.8 | 33.7 | -34.9 | 0 | 0 | 0 | 113.3 | ||
| 380 | P | 48.7 | Very low | 39.2 | Very low | 119 Ų | 119 | 149.9 Ų | 149.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 160 | -176 | 33.2 | -36.7 | 0 | 0 | 0 | 114.5 | ||
| 381 | P | 52.6 | Low | 39.2 | Very low | 124 Ų | 124 | 150 Ų | 150 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 166.2 | -177.7 | 37 | -36.7 | 0 | 0 | 0 | 114.9 | ||
| 382 | Y | 36.4 | Very low | 39.1 | Very low | 229 Ų | 229 | 150.6 Ų | 150.6 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 151.5 | 170.6 | -71.3 | -92.6 | 0 | 0 | 0 | 112.6 | ||
| 383 | P | 54 | Low | 39 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 170.6 | 174.2 | 36.3 | -36.1 | 0 | 0 | 0 | 113.4 | ||
| 384 | A | 36.2 | Very low | 39.5 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -139.7 | 145.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 385 | N | 35 | Very low | 39.6 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | trans | 54.7 | 117.2 | 146.2 | -71.4 | 9.5 | 0 | 0 | 0 | 123.6 | ||||
| 386 | T | 38.2 | Very low | 39.5 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | 34 | 148.8 | 120.4 | 63.3 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 387 | P | 51.1 | Low | 39.2 | Very low | 101 Ų | 101 | 144 Ų | 144 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | cis | -152.9 | -176.1 | 41.4 | 39.5 | -16.5 | 0 | 0 | 0 | 118.2 | ||||
| 388 | H | 34.1 | Very low | 38.8 | Very low | 178 Ų | 178 | 139 Ų | 139 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | 153.6 | -174.9 | 138 | -82 | -64.4 | 0 | 0 | 0 | 114.1 | ||||
| 389 | Q | 32.7 | Very low | 38 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -149.9 | 122.1 | -140.4 | 170.2 | -168.1 | 9.3 | 0 | 0 | 112.6 | ||||
| 390 | A | 31.3 | Very low | 37.5 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | trans | -162.1 | 160.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 391 | Q | 31.1 | Very low | 37.9 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -76.5 | 179 | -166.2 | -59.3 | 169.9 | -47.6 | 0 | 0 | 118 | ||||
| 392 | N | 31.1 | Very low | 36.9 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | trans | 89.6 | 130.4 | 154.3 | -60.1 | -29.1 | 0 | 0 | 0 | 119.7 | ||||
| 393 | G | 30.8 | Very low | 36.7 | Very low | 70 Ų | 70 | 135.3 Ų | 135.3 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -114.9 | -144.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 394 | P | 51.1 | Low | 35.9 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | cis | -126.4 | 174.9 | -5.2 | 41.8 | -28.5 | 0 | 0 | 0 | 113.4 | ||||
| 395 | F | 32.5 | Very low | 35.7 | Very low | 214 Ų | 214 | 143 Ų | 143 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | trans | -147.4 | 147.3 | 153 | -103.4 | -78.2 | 0 | 0 | 0 | 111.3 | ||||
| 396 | Q | 33.9 | Very low | 35.7 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -111.4 | 178.6 | 168.2 | -50.7 | -171.9 | 1.6 | 0 | 0 | 108.5 | ||||
| 397 | S | 28.8 | Very low | 35.3 | Very low | 89 Ų | 89 | 145.1 Ų | 145.1 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | cis | -161 | -175.5 | 12.2 | -151.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 398 | T | 29.6 | Very low | 34.5 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 75.8 | 146.7 | 168.3 | 83.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 399 | S | 31.7 | Very low | 34.4 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | cis | -165.3 | 140.9 | -27.9 | 48.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 400 | S | 35.8 | Very low | 34.5 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -105.5 | -162.3 | 174.8 | -40.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 401 | P | 58 | Low | 34.5 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 61% | 0.61 | 78% | 0.778 | S | S | * | * | cis | -136.6 | -145.9 | -13.9 | 41.5 | -20.9 | 0 | 0 | 0 | 113.2 | ||||
| 402 | Y | 31.7 | Very low | 34.7 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | 94.6 | 144 | 167.5 | -60.4 | -65.9 | 0 | 0 | 0 | 117.8 | ||||
| 403 | H | 31.5 | Very low | 34.7 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | cis | -141.1 | 148.4 | 3.4 | -138.7 | -71.1 | 0 | 0 | 0 | 112.5 | ||||
| 404 | L | 38.1 | Very low | 34.7 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -99.7 | 164.5 | 166.9 | -82 | 169.5 | 0 | 0 | 0 | 111.1 | ||||
| 405 | Y | 32.5 | Very low | 33.7 | Very low | 226 Ų | 226 | 148.1 Ų | 148.1 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | trans | -126 | 134 | 162.9 | -107.6 | -90.3 | 0 | 0 | 0 | 111.7 | ||||
| 406 | Y | 35 | Very low | 33.6 | Very low | 213 Ų | 213 | 143.1 Ų | 143.1 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -83.8 | 178.2 | 170.5 | -88.5 | -90 | 0 | 0 | 0 | 110.4 | ||||
| 407 | S | 29.7 | Very low | 33.7 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | cis | -152.5 | 147.9 | 3.8 | -114.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 408 | A | 33.9 | Very low | 33.9 | Very low | 81 Ų | 81 | 148.3 Ų | 148.3 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | 75.8 | 120 | 57.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 409 | T | 32.6 | Very low | 34 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | 171.9 | 160.4 | 150.4 | 35.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 410 | T | 32.9 | Very low | 33.9 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | cis | -161.2 | 141.7 | -39.8 | -74.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 411 | G | 31.2 | Very low | 33.6 | Very low | 82 Ų | 82 | 144.2 Ų | 144.2 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | 172.6 | 95.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 412 | S | 35.5 | Very low | 32.4 | Very low | 105 Ų | 105 | 143.9 Ų | 143.9 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -125.4 | 135.4 | -171.1 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 413 | Y | 31.4 | Very low | 32.5 | Very low | 237 Ų | 237 | 138 Ų | 138 | 93% | 0.929 | 82% | 0.82 | S | S | * | * | trans | -142.3 | 117 | 159.7 | -92.7 | -81.8 | 0 | 0 | 0 | 110.7 | ||||
| 414 | Q | 31.1 | Very low | 32.7 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | trans | -93 | 168.1 | 144.7 | -61.4 | 179.2 | -88.2 | 0 | 0 | 106 | ||||
| 415 | F | 30.9 | Very low | 32.8 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | cis | -154.5 | 175.2 | 26.5 | 32.5 | -105.2 | 0 | 0 | 0 | 107.3 | ||||
| 416 | S | 29.6 | Very low | 33 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | cis | -147.3 | 166.9 | 29.8 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 417 | M | 35.5 | Very low | 33.1 | Very low | 176 Ų | 176 | 125 Ų | 125 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -85.5 | 156.8 | 165 | -64 | -169.3 | -82.7 | 0 | 0 | 111.6 | ||||
| 418 | M | 33 | Very low | 33.4 | Very low | 195 Ų | 195 | 129.5 Ų | 129.5 | 96% | 0.961 | 82% | 0.822 | S | S | * | * | trans | -156 | 161.7 | 132.2 | -128.7 | 58 | 176.9 | 0 | 0 | 108.8 | ||||
| 419 | A | 31.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 88% | 0.876 | 83% | 0.826 | S | S | * | * | trans | -114.9 | 160.3 | -149.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 420 | G | 30.3 | Very low | 34 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | 126.8 | 124.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 421 | G | 30.3 | Very low | 34.5 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | cis | 171.7 | 136 | -7.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 422 | G | 31.8 | Very low | 34.7 | Very low | 87 Ų | 87 | 136.7 Ų | 136.7 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | 77.2 | 152 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 423 | G | 33.2 | Very low | 34.7 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | cis | 177.6 | 167.4 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 424 | S | 36.2 | Very low | 35 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | 69.3 | 118.5 | -174.5 | -148.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 425 | S | 39.4 | Very low | 35.3 | Very low | 90 Ų | 90 | 132.4 Ų | 132.4 | 63% | 0.629 | 82% | 0.819 | S | S | * | * | trans | -67.2 | 162.7 | 147.1 | 51.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 426 | D | 37.4 | Very low | 35.9 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | -166.2 | 148.1 | 78.8 | -83.4 | -16.7 | 0 | 0 | 0 | 111.4 | |||||
| 427 | S | 37.5 | Very low | 36 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 82% | 0.824 | S | S | * | * | trans | -122.6 | 107.9 | 179.1 | 58.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 428 | H | 36.7 | Very low | 35.9 | Very low | 195 Ų | 195 | 127.9 Ų | 127.9 | 90% | 0.903 | 82% | 0.818 | S | S | * | * | trans | -143.3 | 154.7 | 167.5 | -95.4 | -50.4 | 0 | 0 | 0 | 114 | ||||
| 429 | S | 34.7 | Very low | 35.9 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -93 | 169.7 | -162.1 | -47.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 430 | P | 44 | Very low | 36.1 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 156.3 | -162.4 | 34.6 | -36.2 | 0 | 0 | 0 | 114.9 | ||
| 431 | P | 43.1 | Very low | 36.3 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 160.3 | 169.6 | 33.1 | -34.9 | 0 | 0 | 0 | 112.7 | ||
| 432 | R | 35 | Very low | 36.6 | Very low | 225 Ų | 225 | 128 Ų | 128 | 85% | 0.849 | 80% | 0.801 | S | S | * | * | trans | -119.6 | 136.4 | -171.4 | -179.5 | -169.2 | -72.5 | -169.4 | -2.5 | 111.6 | ||||
| 433 | I | 35.8 | Very low | 36.6 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | 21.1 | 124.8 | 153 | -50.1 | 168 | 0 | 0 | 0 | 118 | ||||
| 434 | L | 37.4 | Very low | 36.7 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -108.9 | 148 | 157 | -68.6 | 175.4 | 0 | 0 | 0 | 110.8 | ||||
| 435 | P | 38.5 | Very low | 36.6 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 145.5 | -179.9 | 35.2 | -33.9 | 0 | 0 | 0 | 113.3 | ||
| 436 | P | 42 | Very low | 36.5 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 157.5 | 162.9 | 34.8 | -32.7 | 0 | 0 | 0 | 111.9 | ||
| 437 | C | 33 | Very low | 36.3 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 164.8 | -175.6 | 41.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 438 | T | 32.9 | Very low | 35.9 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 171.5 | 172.9 | 59 | 0 | 0 | 0 | 0 | 110.8 | ||
| 439 | T | 33.9 | Very low | 36.7 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | cis | -167.8 | 162.5 | 26.6 | -25.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 440 | A | 35.4 | Very low | 36.4 | Very low | 85 Ų | 85 | 129.8 Ų | 129.8 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | trans | 64.6 | 127.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 441 | S | 33.8 | Very low | 36 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | 80.3 | 140.5 | 55.2 | -61.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 442 | T | 37.6 | Very low | 36.1 | Very low | 144 Ų | 144 | 131.4 Ų | 131.4 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | cis | -159.7 | -177.3 | 11.1 | -3.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 443 | G | 31.3 | Very low | 36 | Very low | 59 Ų | 59 | 127.2 Ų | 127.2 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | cis | 156.4 | 161.1 | -0.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 444 | S | 34.6 | Very low | 35.7 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 71.4 | 152.8 | 162.6 | -59.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 445 | S | 35.2 | Very low | 35.5 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | cis | -166.3 | 156.1 | -3.5 | -114.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 446 | L | 36.3 | Very low | 35.2 | Very low | 153 Ų | 153 | 132.2 Ų | 132.2 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | 58.4 | 123.7 | 145.4 | -60.5 | 166 | 0 | 0 | 0 | 123.5 | ||||
| 447 | L | 34.3 | Very low | 34.7 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | 164.2 | 160.8 | 109.9 | -83.4 | -176.3 | 0 | 0 | 0 | 114.5 | |||||
| 448 | H | 28.9 | Very low | 34.7 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | trans | -130.6 | -178.4 | 179.4 | -149.3 | -133.2 | 0 | 0 | 0 | 107.6 | ||||
| 449 | P | 53.6 | Low | 34.6 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | cis | -129.1 | -161.9 | 14.6 | 31.2 | -3.2 | 0 | 0 | 0 | 113 | ||||
| 450 | S | 28.3 | Very low | 34.6 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | cis | -159.7 | 166.2 | 28 | -56.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 451 | L | 35.6 | Very low | 34.5 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | -99.3 | 176.5 | 164.1 | -65.8 | 169.7 | 0 | 0 | 0 | 110.8 | ||||
| 452 | P | 45.8 | Very low | 34.5 | Very low | 133 Ų | 133 | 133 Ų | 133 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | -135.7 | -177.5 | 89.4 | 38.4 | -25.8 | 0 | 0 | 0 | 114.9 | |||||
| 453 | N | 31.1 | Very low | 34.2 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | -140 | 148.4 | -165.8 | 174.9 | 35.9 | 0 | 0 | 0 | 110 | ||||
| 454 | Q | 31.4 | Very low | 34.1 | Very low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -145 | 154.1 | 166.1 | -78.1 | -158.5 | -14.3 | 0 | 0 | 112.2 | ||||
| 455 | N | 32.4 | Very low | 34 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -157.3 | 128.2 | -163.6 | 157.9 | 103.9 | 0 | 0 | 0 | 110.2 | ||||
| 456 | E | 32.5 | Very low | 33.9 | Very low | 195 Ų | 195 | 139.1 Ų | 139.1 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | trans | -169.1 | 152.1 | 163.8 | -106.7 | 159 | 159.2 | 0 | 0 | 109.5 | ||||
| 457 | G | 30.2 | Very low | 33.7 | Very low | 67 Ų | 67 | 136.7 Ų | 136.7 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | cis | 159.1 | 41.8 | -6.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 458 | V | 33 | Very low | 33.6 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -145.6 | 143.1 | 177.5 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 459 | G | 30.6 | Very low | 33.7 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | 129.6 | 74.2 | -7.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 460 | V | 35.6 | Very low | 33.2 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -145.8 | 143 | 172.9 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 461 | E | 32.6 | Very low | 33.6 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -108.8 | -170.8 | 178.9 | -60.2 | -173.4 | 118.7 | 0 | 0 | 112.4 | ||||
| 462 | V | 33.5 | Very low | 33.5 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | 75.9 | 137.2 | 166.2 | -179.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 463 | E | 30.7 | Very low | 32.8 | Very low | 178 Ų | 178 | 135 Ų | 135 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | cis | -137.4 | 172.1 | 7.9 | -154 | 149.6 | 64.9 | 0 | 0 | 113.3 | ||||
| 464 | S | 30.8 | Very low | 32.9 | Very low | 88 Ų | 88 | 134.4 Ų | 134.4 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | trans | -94.5 | 141.7 | 170.3 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 465 | S | 31.6 | Very low | 33 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -159.6 | 154.6 | 155.5 | -93.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 466 | H | 32.9 | Very low | 33.1 | Very low | 167 Ų | 167 | 128 Ų | 128 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -96.5 | 146.4 | -157.8 | -64.9 | -100.7 | 0 | 0 | 0 | 115.3 | ||||
| 467 | S | 33 | Very low | 33.1 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | 2.4 | 136.1 | 151.2 | 57.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 468 | S | 31.1 | Very low | 33.6 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -175 | 147.5 | 106.7 | -78.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 469 | S | 32.3 | Very low | 33.7 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -102.3 | 164.1 | 172.8 | -49.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 470 | P | 43.1 | Very low | 34.1 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -124.7 | 168.3 | 136.2 | 36.9 | -30.3 | 0 | 0 | 0 | 113.1 | ||||
| 471 | T | 36.4 | Very low | 34.4 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -125.3 | 159.1 | -169.4 | -50.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 472 | N | 33.4 | Very low | 35.4 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | 70.7 | 147.5 | 178.9 | -70.2 | -25.3 | 0 | 0 | 0 | 114.4 | ||||
| 473 | M | 31.6 | Very low | 35.9 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | cis | -130.3 | 172.7 | 35.4 | -77.4 | -77.1 | -78.3 | 0 | 0 | 115.2 | ||||
| 474 | V | 33.3 | Very low | 36.2 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 76% | 0.758 | 82% | 0.82 | S | S | * | * | trans | -112 | 146.1 | -177.9 | 165.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 475 | A | 31.6 | Very low | 36.5 | Very low | 98 Ų | 98 | 148.8 Ų | 148.8 | 81% | 0.81 | 83% | 0.831 | S | S | * | * | trans | 66.2 | 121.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 476 | A | 34.5 | Very low | 36.7 | Very low | 103 Ų | 103 | 150.5 Ų | 150.5 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | trans | -150.4 | 143.6 | 135.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 477 | E | 34.4 | Very low | 36.9 | Very low | 189 Ų | 189 | 149.5 Ų | 149.5 | 88% | 0.883 | 83% | 0.834 | S | S | * | * | trans | -83.8 | 139.6 | 177.7 | -60.9 | 176.6 | 123.4 | 0 | 0 | 111 | ||||
| 478 | A | 39 | Very low | 37.2 | Very low | 104 Ų | 104 | 152.5 Ų | 152.5 | 86% | 0.86 | 84% | 0.842 | S | S | * | * | trans | -111.5 | 99.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 479 | V | 36.7 | Very low | 37.6 | Very low | 134 Ų | 134 | 154.9 Ų | 154.9 | 81% | 0.812 | 84% | 0.843 | S | S | * | * | trans | -78.2 | 139.3 | -177.1 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 480 | W | 38.4 | Very low | 38 | Very low | 239 Ų | 239 | 158 Ų | 158 | 91% | 0.905 | 85% | 0.848 | S | S | * | * | trans | -55.6 | 132.7 | 170.8 | -83.5 | 72.1 | 0 | 0 | 0 | 113 | ||||
| 481 | R | 40.9 | Very low | 37.6 | Very low | 238 Ų | 238 | 159.9 Ų | 159.9 | 90% | 0.898 | 85% | 0.847 | S | S | * | * | trans | -148.6 | 151.3 | 136 | -76.9 | -148.3 | 175.3 | -131.2 | -6.5 | 111.4 | ||||
| 482 | P | 54 | Low | 37.7 | Very low | 102 Ų | 102 | 163.2 Ų | 163.2 | 66% | 0.662 | 86% | 0.856 | S | S | * | * | trans | -95.3 | 164.3 | -178.2 | 38.5 | -35.8 | 0 | 0 | 0 | 113.2 | ||||
| 483 | Y | 44.3 | Very low | 38.1 | Very low | 312 Ų | 312 | 165.5 Ų | 165.5 | 100% | 1.224 | 87% | 0.866 | S | S | * | * | trans | -139.8 | 0 | 144 | -90.1 | -75.4 | 0 | 0 | 0 | 108.3 |
Retrieved 483 of 483 residues in 188.9 ms
(Link to these results)