| 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 | 40.8 | Very low | 41.6 | Very low | 238 Ų | 238 | 143.1 Ų | 143.1 | 100% | 1.172 | 84% | 0.835 | S | S | * | * | 0 | 103.1 | 0 | -81.8 | -173.3 | 164.1 | 0 | 0 | 108.3 | |||||
| 2 | L | 37.7 | Very low | 40.9 | Very low | 178 Ų | 178 | 137.5 Ų | 137.5 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | trans | -171.1 | 115.2 | 143.8 | -125.9 | 76 | 0 | 0 | 0 | 107 | ||||
| 3 | S | 39.8 | Very low | 40.4 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 82% | 0.823 | S | S | * | * | trans | -126.5 | 172 | 168.9 | -56.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 4 | P | 55 | Low | 39.8 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 83% | 0.829 | S | S | * | * | cis | -132.2 | -177.8 | -31.3 | 26.5 | -3.6 | 0 | 0 | 0 | 112.9 | ||||
| 5 | L | 42.1 | Very low | 39.4 | Very low | 152 Ų | 152 | 140.5 Ų | 140.5 | 80% | 0.796 | 83% | 0.83 | S | S | * | * | trans | -23.4 | 158.8 | 159.2 | -154.2 | 73.3 | 0 | 0 | 0 | 118.4 | ||||
| 6 | P | 51.1 | Low | 39.1 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 73% | 0.727 | 82% | 0.823 | S | S | * | * | -138.9 | 134 | 113.8 | 34.1 | -18.5 | 0 | 0 | 0 | 116 | |||||
| 7 | T | 38.6 | Very low | 39 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 73% | 0.73 | 83% | 0.826 | S | S | * | * | trans | 36 | 131.3 | 134.3 | 56.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 8 | G | 35.6 | Very low | 38.6 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | -67.6 | -159.4 | 171 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 9 | P | 45.6 | Very low | 38.5 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | cis | -145.7 | 175.6 | 42.6 | 39.3 | -17.5 | 0 | 0 | 0 | 118.3 | ||||
| 10 | L | 35.8 | Very low | 38.4 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | 20.2 | 128.5 | 149 | -67.6 | 161.1 | 0 | 0 | 0 | 121.6 | ||||
| 11 | E | 35.4 | Very low | 38.2 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | -170.3 | 150.8 | 126.9 | -109.5 | -64.7 | 124.9 | 0 | 0 | 111.6 | |||||
| 12 | A | 33.9 | Very low | 38 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 63% | 0.628 | 80% | 0.798 | S | S | * | * | trans | -86.4 | 159.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 13 | C | 33.3 | Very low | 38.3 | Very low | 131 Ų | 131 | 134.5 Ų | 134.5 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | -170.7 | 100.9 | 140.7 | -109.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 14 | F | 33 | Very low | 37.8 | Very low | 206 Ų | 206 | 138 Ų | 138 | 90% | 0.904 | 80% | 0.798 | S | S | * | * | trans | -68.3 | 127.1 | 152 | -103.3 | -101.7 | 0 | 0 | 0 | 107.7 | ||||
| 15 | S | 32.8 | Very low | 36.9 | Very low | 121 Ų | 121 | 141 Ų | 141 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -119.6 | 101.3 | 168.9 | -147 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 16 | I | 34.4 | Very low | 36.9 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 72% | 0.723 | 79% | 0.793 | S | S | * | * | trans | -71.2 | 127 | 164.3 | -73.1 | 162 | 0 | 0 | 0 | 107.2 | ||||
| 17 | Q | 38.9 | Very low | 36.5 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -106.3 | 100.6 | 168.5 | -162.1 | 156.2 | 58.6 | 0 | 0 | 109.7 | ||||
| 18 | S | 31.3 | Very low | 36.6 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | -63.8 | 132.6 | 166.7 | -28.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 19 | R | 37 | Very low | 36.7 | Very low | 241 Ų | 241 | 143 Ų | 143 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -122.7 | 116.6 | 161.3 | -158 | 179.2 | -76.8 | -139.4 | 1.3 | 108.7 | ||||
| 20 | T | 36.2 | Very low | 36.2 | Very low | 118 Ų | 118 | 145.6 Ų | 145.6 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -88.7 | 150.1 | -174.9 | 27 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 21 | S | 33.8 | Very low | 36 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 66.6 | 113.6 | 142.1 | 62.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 22 | S | 36.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -70.6 | 166.5 | 149.4 | -39.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 23 | P | 43.4 | Very low | 36.3 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | -152.9 | 162 | 98.2 | 35.9 | -15.9 | 0 | 0 | 0 | 118.7 | |||||
| 24 | M | 30.7 | Very low | 36.3 | Very low | 184 Ų | 184 | 143.5 Ų | 143.5 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | 62.4 | 106.1 | 149.2 | -77.1 | -144.6 | -106 | 0 | 0 | 125.1 | ||||
| 25 | E | 35.3 | Very low | 36.6 | Very low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | 46.1 | 166.7 | 115.3 | -117.5 | -174 | 76.8 | 0 | 0 | 125 | |||||
| 26 | P | 43.1 | Very low | 37.2 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 61% | 0.61 | 80% | 0.804 | S | S | * | * | -122.6 | -170.1 | -104.2 | 44.4 | -27.3 | 0 | 0 | 0 | 114.2 | |||||
| 27 | P | 42.6 | Very low | 37.1 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -124.2 | 136.2 | 155.1 | 16.9 | 4.3 | 0 | 0 | 0 | 115 | ||||
| 28 | I | 40.7 | Very low | 36.9 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | -83.2 | 154.4 | 167.6 | -63.8 | 164.1 | 0 | 0 | 0 | 109.7 | Q30 | I28-Q30 HydrophobicContact CG2-CG 4.21Š| ||
| 29 | P | 37.5 | Very low | 37.1 | Very low | 131 Ų | 131 | 137.3 Ų | 137.3 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | -127.4 | 152.3 | 125.4 | 4.8 | 16.7 | 0 | 0 | 0 | 114.5 | |||||
| 30 | Q | 33.8 | Very low | 36.9 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -87.8 | 160.4 | -169.7 | -59.4 | 166.2 | -31.1 | 0 | 0 | 113.7 | I28 | I28-Q30 HydrophobicContact CG2-CG 4.21Š| ||
| 31 | S | 32.4 | Very low | 36.8 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | 131.7 | 138.7 | 148.4 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 32 | A | 36.5 | Very low | 36.9 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | cis | -169.2 | 172.7 | -14.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 33 | P | 39.1 | Very low | 36.9 | Very low | 115 Ų | 115 | 139 Ų | 139 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | trans | -104 | 150.6 | -147.5 | 38.1 | -33.4 | 0 | 0 | 0 | 115.9 | ||||
| 34 | L | 33.3 | Very low | 36.5 | Very low | 180 Ų | 180 | 139.7 Ų | 139.7 | 94% | 0.942 | 81% | 0.813 | S | S | * | * | trans | -150.5 | 111.5 | 160.3 | -73.7 | 173.4 | 0 | 0 | 0 | 111.5 | ||||
| 35 | T | 39.5 | Very low | 36.7 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | -113.9 | 154.8 | 148.3 | 56.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 36 | P | 44.3 | Very low | 36.5 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | -142.9 | 167.9 | 87.6 | 32.7 | -13 | 0 | 0 | 0 | 115.8 | |||||
| 37 | S | 34 | Very low | 35.7 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | trans | -48.9 | 154.3 | -177.6 | -47.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 38 | S | 33.4 | Very low | 35.3 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | 171.5 | 156.9 | 107.7 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 39 | V | 35.5 | Very low | 34.9 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | trans | 100.8 | 102.8 | 159.1 | -165 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 40 | M | 33.8 | Very low | 34.6 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -72.9 | 147.9 | 165.6 | -55.4 | -154.7 | -60.1 | 0 | 0 | 112.1 | ||||
| 41 | V | 34.1 | Very low | 34.8 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -146.5 | 111.8 | 140.2 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 42 | Q | 35.8 | Very low | 34.7 | Very low | 185 Ų | 185 | 142.9 Ų | 142.9 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -115.6 | 133.6 | 160.4 | -110.5 | -159 | -3 | 0 | 0 | 107.5 | ||||
| 43 | P | 36.7 | Very low | 34.6 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | trans | -96 | 100.3 | 165.2 | 15.3 | 3 | 0 | 0 | 0 | 110.9 | ||||
| 44 | L | 35 | Very low | 34.3 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 72% | 0.723 | 82% | 0.817 | S | S | * | * | 16.1 | 120.1 | 128 | -133.3 | 166.9 | 0 | 0 | 0 | 118.1 | D46 | L44-D46 HydrophobicContact CD2-CB 3.88Š| |||
| 45 | L | 34.1 | Very low | 34.4 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -145.3 | 106.1 | 132.3 | -112.1 | 162.5 | 0 | 0 | 0 | 109.5 | ||||
| 46 | D | 31.1 | Very low | 34.2 | Very low | 110 Ų | 110 | 151.4 Ų | 151.4 | 59% | 0.588 | 81% | 0.81 | S | S | * | * | trans | -79.3 | 133.4 | 172.1 | -175.2 | 39.1 | 0 | 0 | 0 | 108.4 | L44 | L44-D46 HydrophobicContact CD2-CB 3.88Š| ||
| 47 | S | 27.7 | Very low | 33.9 | Very low | 118 Ų | 118 | 151 Ų | 151 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -157.2 | 85.7 | 154.9 | -83.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 48 | R | 34.3 | Very low | 34.3 | Very low | 221 Ų | 221 | 153.6 Ų | 153.6 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -69.1 | 126.2 | 161.2 | -62.7 | -155.7 | -159.5 | -167.2 | 9 | 109.7 | ||||
| 49 | M | 31.8 | Very low | 34.9 | Very low | 187 Ų | 187 | 154.1 Ų | 154.1 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -139 | 143.7 | 149.4 | -71.9 | -164.5 | 169.8 | 0 | 0 | 110.6 | ||||
| 50 | S | 30.2 | Very low | 35.7 | Very low | 121 Ų | 121 | 155.3 Ų | 155.3 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -83.9 | 131.3 | -148.2 | -32.1 | 0 | 0 | 0 | 0 | 113.8 | S52 | S50-S52 PolarHBondContact O-N 3.37Š| ||
| 51 | H | 37.6 | Very low | 36.7 | Very low | 191 Ų | 191 | 153.6 Ų | 153.6 | 88% | 0.884 | 80% | 0.804 | S | S | * | * | trans | -73 | 107.8 | 162 | -73.2 | 172.1 | 0 | 0 | 0 | 110.8 | ||||
| 52 | S | 31.5 | Very low | 37.3 | Very low | 112 Ų | 112 | 152.5 Ų | 152.5 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | 160.8 | 116.8 | 136.6 | -84.7 | 0 | 0 | 0 | 0 | 112.4 | S50 | S50-S52 PolarHBondContact O-N 3.37Š| ||
| 53 | R | 33.8 | Very low | 38.5 | Very low | 229 Ų | 229 | 150.3 Ų | 150.3 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | 173.4 | 118.7 | 117.4 | -102.9 | -170.1 | 164 | -165.1 | -2.8 | 113.1 | |||||
| 54 | L | 32 | Very low | 39.2 | Very low | 125 Ų | 125 | 152 Ų | 152 | 65% | 0.654 | 80% | 0.795 | S | S | * | * | trans | 50.8 | 116.9 | 134.6 | -84.4 | 108.9 | 0 | 0 | 0 | 122.2 | ||||
| 55 | Q | 36.3 | Very low | 39.8 | Very low | 167 Ų | 167 | 154.3 Ų | 154.3 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | 52 | 106 | 126.1 | -62.6 | -169.5 | 28.7 | 0 | 0 | 119.1 | |||||
| 56 | H | 34.4 | Very low | 40.4 | Very low | 182 Ų | 182 | 153.5 Ų | 153.5 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -141.1 | 132.6 | 138.8 | -84.2 | 78.6 | 0 | 0 | 0 | 108.6 | ||||
| 57 | P | 39.5 | Very low | 41 | Very low | 118 Ų | 118 | 157.6 Ų | 157.6 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | trans | -74.9 | 127.3 | 178.6 | 29 | -29.7 | 0 | 0 | 0 | 109.9 | T59 | P57-T59 PolarHBondContact O-N 3.35Š| ||
| 58 | L | 41 | Very low | 42.1 | Very low | 168 Ų | 168 | 158.5 Ų | 158.5 | 88% | 0.88 | 81% | 0.809 | S | S | * | * | trans | -74.2 | 106.8 | 172.6 | -71.8 | 168.5 | 0 | 0 | 0 | 108.9 | I60 | L58-I60 PolarHBondContact O-N 3.01Å; L58-I60 VanDerWaalsContact O-N 3.12Å | ||
| 59 | T | 46.1 | Very low | 42.5 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -68.3 | 102.4 | 170.8 | -45.2 | 0 | 0 | 0 | 0 | 108.9 | P57 L61 | P57-T59 PolarHBondContact O-N 3.35Å; T59-L61 PolarHBondContact O-N 3.24Å | ||
| 60 | I | 53.3 | Low | 43.4 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | trans | -74.9 | 112.3 | 170.1 | -61.9 | 164.6 | 0 | 0 | 0 | 107.1 | L58 | L58-I60 PolarHBondContact O-N 3.01Å; L58-I60 VanDerWaalsContact O-N 3.12Å | ||
| 61 | L | 53.9 | Low | 44.1 | Very low | 141 Ų | 141 | 150.9 Ų | 150.9 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -85 | 149.3 | 172 | -72.3 | 165.3 | 0 | 0 | 0 | 110.4 | T59 | T59-L61 PolarHBondContact O-N 3.24Š| ||
| 62 | P | 48 | Very low | 44.3 | Very low | 114 Ų | 114 | 148.7 Ų | 148.7 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | trans | -70.9 | 148.5 | -170.7 | -13.4 | 28.9 | 0 | 0 | 0 | 113.7 | D64 | P62-D64 PolarHBondContact O-N 3.42Š| ||
| 63 | I | 59.8 | Low | 44.7 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -70.9 | 15.6 | -173.2 | -58.8 | 165.2 | 0 | 0 | 0 | 113.6 | Q65 M66 | I63-Q65 VanDerWaalsContact C-N 3.35Å; I63-Q65 PolarHBondContact O-N 3.06Å; I63-M66 HydrophobicContact CG2-CE 3.98Å; I63-M66 HydrophobicContact CG2-SD 4.23Å |
| 64 | D | 51.6 | Low | 45.2 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 17.6 | -171.6 | -143.5 | 16 | 0 | 0 | 0 | 114.5 | P62 | P62-D64 PolarHBondContact O-N 3.42Š|
| 65 | Q | 47.1 | Very low | 45.7 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | 18.8 | 178.8 | -95.9 | -147.7 | -4.7 | 0 | 0 | 115.8 | I63 K67 | I63-Q65 VanDerWaalsContact C-N 3.35Å; I63-Q65 PolarHBondContact O-N 3.06Å; Q65-K67 VanDerWaalsContact C-N 3.29Å; Q65-K67 PolarHBondContact O-N 3.06Å |
| 66 | M | 47.4 | Very low | 46.1 | Very low | 156 Ų | 156 | 149.5 Ų | 149.5 | 77% | 0.768 | 78% | 0.777 | S | S | * | * | trans | -76.5 | 79.4 | 170.2 | 51 | 169.8 | -174.6 | 0 | 0 | 111.2 | I63 | I63-M66 HydrophobicContact CG2-CE 3.98Å; I63-M66 HydrophobicContact CG2-SD 4.23Å | ||
| 67 | K | 44.7 | Very low | 46.5 | Very low | 196 Ų | 196 | 148 Ų | 148 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -70 | 128.3 | 167.9 | -168.3 | 174.7 | -179.7 | -171.2 | 0 | 108.6 | Q65 S69 | Q65-K67 VanDerWaalsContact C-N 3.29Å; Q65-K67 PolarHBondContact O-N 3.06Å; K67-S69 PolarHBondContact O-N 2.72Å | ||
| 68 | T | 50.1 | Low | 46.2 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -61.3 | 95.1 | 179.1 | 54.2 | 0 | 0 | 0 | 0 | 111 | H70 | T68-H70 PolarHBondContact O-N 3.23Š| ||
| 69 | S | 42.4 | Very low | 46.2 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -78.6 | 105.9 | 158.9 | 56.6 | 0 | 0 | 0 | 0 | 107.3 | K67 V71 | K67-S69 PolarHBondContact O-N 2.72Å; S69-V71 PolarHBondContact O-N 2.96Å | ||
| 70 | H | 50.1 | Low | 45.4 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 75% | 0.75 | 77% | 0.767 | S | S | * | * | trans | -64.6 | 87.1 | 168.6 | -174 | -92.3 | 0 | 0 | 0 | 108.3 | T68 E72 | T68-H70 PolarHBondContact O-N 3.23Å; H70-E72 IonicContact CE1-OE2 3.4Å; H70-E72 PolarHBondContact CE1-OE2 3.14Å; H70-E72 PolarHBondContact O-N 3.2Å | ||
| 71 | V | 45.6 | Very low | 44.5 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 65% | 0.648 | 77% | 0.774 | S | S | * | * | trans | -81.3 | 101.1 | 165.4 | 159.7 | 0 | 0 | 0 | 0 | 106.1 | S69 | S69-V71 PolarHBondContact O-N 2.96Š| ||
| 72 | E | 41.8 | Very low | 43.7 | Very low | 144 Ų | 144 | 143 Ų | 143 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | trans | -68 | 123 | 164 | -163 | 157.9 | 124.8 | 0 | 0 | 107 | H70 D74 | H70-E72 IonicContact CE1-OE2 3.4Å; H70-E72 PolarHBondContact CE1-OE2 3.14Å; H70-E72 PolarHBondContact O-N 3.2Å; E72-D74 PolarHBondContact O-N 3.31Å; E72-D74 VanDerWaalsContact O-N 3.15Å | ||
| 73 | N | 39.7 | Very low | 43.2 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | trans | -78.2 | 95.3 | 174.5 | -76.5 | -65.8 | 0 | 0 | 0 | 108.2 | Y75 | N73-Y75 PolarHBondContact O-N 3.41Å; N73-Y75 VanDerWaalsContact O-N 3.11Å | ||
| 74 | D | 43.6 | Very low | 42 | Very low | 145 Ų | 145 | 143.8 Ų | 143.8 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -66.6 | 100.7 | 164.8 | -113.5 | -57.9 | 0 | 0 | 0 | 108.3 | E72 I76 | E72-D74 PolarHBondContact O-N 3.31Å; E72-D74 VanDerWaalsContact O-N 3.15Å; D74-I76 PolarHBondContact O-N 3.37Å | ||
| 75 | Y | 43.9 | Very low | 41.2 | Very low | 219 Ų | 219 | 143 Ų | 143 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 116.4 | 173.1 | -118.6 | -92.8 | 0 | 0 | 0 | 108.5 | N73 D77 | N73-Y75 PolarHBondContact O-N 3.41Å; N73-Y75 VanDerWaalsContact O-N 3.11Å; Y75-D77 PolarHBondContact O-N 3.15Å |
| 76 | I | 44 | Very low | 40.4 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 123.3 | 177.9 | -62.7 | -63.5 | 0 | 0 | 0 | 110.7 | D74 | D74-I76 PolarHBondContact O-N 3.37Š|
| 77 | D | 42.7 | Very low | 40.1 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 125 | 169.2 | -152.5 | -82.7 | 0 | 0 | 0 | 109.9 | Y75 | Y75-D77 PolarHBondContact O-N 3.15Š|
| 78 | N | 33.8 | Very low | 39.4 | Very low | 146 Ų | 146 | 136.3 Ų | 136.3 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 131.6 | -178.6 | -166.3 | 46 | 0 | 0 | 0 | 109.9 | ||
| 79 | P | 39.7 | Very low | 38.5 | Very low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 134.8 | -168.2 | 31.7 | -32.1 | 0 | 0 | 0 | 112.1 | ||
| 80 | G | 31 | Very low | 38 | Very low | 68 Ų | 68 | 144 Ų | 144 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 116.2 | 101.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 81 | L | 34 | Very low | 37.3 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | -172.2 | 130.5 | 110.9 | -89.2 | 163.1 | 0 | 0 | 0 | 108.8 | |||||
| 82 | A | 36.9 | Very low | 36.4 | Very low | 94 Ų | 94 | 147 Ų | 147 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 151.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 83 | P | 37.6 | Very low | 35.8 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 130.1 | 170.2 | 32.1 | -28.9 | 0 | 0 | 0 | 111.5 | ||
| 84 | T | 33.9 | Very low | 35.4 | Very low | 141 Ų | 141 | 142.5 Ų | 142.5 | 87% | 0.865 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 135.3 | 166.5 | 49.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 85 | T | 34.4 | Very low | 35.4 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 148.5 | 176.7 | 47.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 86 | G | 32.1 | Very low | 34.6 | Very low | 72 Ų | 72 | 140.4 Ų | 140.4 | 74% | 0.742 | 84% | 0.837 | S | S | * | * | trans | -64.3 | -160.8 | -173 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 87 | P | 40.6 | Very low | 34.1 | Very low | 127 Ų | 127 | 141 Ų | 141 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | -149.2 | 165.2 | 55.5 | 38.7 | -17.1 | 0 | 0 | 0 | 119.2 | |||||
| 88 | K | 30.2 | Very low | 33.6 | Very low | 201 Ų | 201 | 138 Ų | 138 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | 40.5 | 117.3 | 147.7 | -84.1 | -176.9 | 172.4 | 178.2 | 0 | 122.1 | ||||
| 89 | R | 31.1 | Very low | 33.6 | Very low | 254 Ų | 254 | 137 Ų | 137 | 96% | 0.958 | 84% | 0.838 | S | S | * | * | trans | -75.1 | 142.6 | 154.2 | -78.5 | -167.1 | 161.8 | -170.5 | -4.4 | 112.5 | ||||
| 90 | T | 30.7 | Very low | 33.2 | Very low | 145 Ų | 145 | 137.9 Ų | 137.9 | 89% | 0.89 | 84% | 0.842 | S | S | * | * | trans | -113.2 | 143.2 | 160.7 | -31 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 91 | R | 35 | Very low | 33.2 | Very low | 250 Ų | 250 | 140.4 Ų | 140.4 | 94% | 0.943 | 85% | 0.846 | S | S | * | * | trans | -83.8 | 143 | -169.7 | -175.9 | -175.6 | -159.6 | 168.1 | 4.6 | 112.2 | ||||
| 92 | G | 27.9 | Very low | 33.1 | Very low | 80 Ų | 80 | 136.4 Ų | 136.4 | 83% | 0.825 | 84% | 0.84 | S | S | * | * | trans | 162.8 | 132.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 93 | G | 28.1 | Very low | 32.6 | Very low | 85 Ų | 85 | 142.8 Ų | 142.8 | 88% | 0.876 | 84% | 0.844 | S | S | * | * | trans | 128.5 | 123.8 | 160 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 94 | A | 32.4 | Very low | 32 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | trans | -92.3 | -177.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 95 | P | 42.5 | Very low | 31.8 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | -92.9 | 152.2 | -154.4 | 38.2 | -35.6 | 0 | 0 | 0 | 114.9 | ||||
| 96 | E | 28.3 | Very low | 31.6 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | trans | -138 | 142 | 168.1 | -163.5 | 172 | 99.3 | 0 | 0 | 111.8 | ||||
| 97 | L | 33 | Very low | 31.4 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 85% | 0.848 | 83% | 0.833 | S | S | * | * | trans | -69.9 | 137.4 | -168.9 | -81 | 73.4 | 0 | 0 | 0 | 114.3 | ||||
| 98 | A | 32.1 | Very low | 31.2 | Very low | 88 Ų | 88 | 146.4 Ų | 146.4 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | trans | 14.8 | 147.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 99 | P | 33.8 | Very low | 31.4 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | -139.7 | 138.8 | 68.8 | 28.5 | -7.4 | 0 | 0 | 0 | 116.1 | |||||
| 100 | T | 31.7 | Very low | 31.6 | Very low | 134 Ų | 134 | 137 Ų | 137 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -67.9 | 133.5 | 166.4 | 30.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 101 | P | 30.3 | Very low | 31.8 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -88.4 | 134.2 | 158.7 | 30.6 | -24.3 | 0 | 0 | 0 | 110.1 | R103 | P101-R103 PolarHBondContact O-N 3.09Š| ||
| 102 | A | 31.9 | Very low | 31.8 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -55.3 | 115.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C104 | A102-C104 PolarHBondContact O-N 2.06Š| ||
| 103 | R | 26.7 | Very low | 32.3 | Very low | 228 Ų | 228 | 134.4 Ų | 134.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -69.5 | 115.6 | 166.7 | -165.9 | 176 | -176.7 | 157.8 | -0.7 | 107.3 | P101 D105 | P101-R103 PolarHBondContact O-N 3.09Å; R103-D105 PolarHBondContact O-N 2.84Å | ||
| 104 | C | 26.1 | Very low | 32.3 | Very low | 125 Ų | 125 | 136.1 Ų | 136.1 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -65.6 | 102.6 | 167.3 | -73.1 | 0 | 0 | 0 | 0 | 107.7 | A102 Q106 | A102-C104 PolarHBondContact O-N 2.06Å; C104-Q106 PolarHBondContact O-N 3.32Å | ||
| 105 | D | 28.3 | Very low | 32.4 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | trans | -78.6 | 109.7 | 168.8 | -160.5 | -77.8 | 0 | 0 | 0 | 107.9 | R103 | R103-D105 PolarHBondContact O-N 2.84Š| ||
| 106 | Q | 31.4 | Very low | 32.1 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -135.2 | 55.7 | 167.6 | -156 | 159.1 | 93.8 | 0 | 0 | 108 | C104 V108 | C104-Q106 PolarHBondContact O-N 3.32Å; Q106-V108 VanDerWaalsContact C-N 3.35Å; Q106-V108 PolarHBondContact O-N 3.01Å; Q106-V108 VanDerWaalsContact O-N 3.17Å | ||
| 107 | D | 27.1 | Very low | 32.2 | Very low | 135 Ų | 135 | 132.7 Ų | 132.7 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -81.6 | 82.6 | 168.5 | -86 | -53.2 | 0 | 0 | 0 | 109.5 | ||||
| 108 | V | 35.9 | Very low | 32.4 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | trans | -88.8 | 104.1 | 156.3 | 178 | 0 | 0 | 0 | 0 | 107.2 | Q106 H110 | Q106-V108 VanDerWaalsContact C-N 3.35Å; Q106-V108 PolarHBondContact O-N 3.01Å; Q106-V108 VanDerWaalsContact O-N 3.17Å; V108-H110 PolarHBondContact O-N 2.98Å | ||
| 109 | T | 35.2 | Very low | 32.6 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | -50.2 | 120.5 | -179.8 | -7.7 | 0 | 0 | 0 | 0 | 112.5 | H111 | T109-H111 HydrophobicContact CG2-CB 4.44Š| ||
| 110 | H | 35.7 | Very low | 32.5 | Very low | 148 Ų | 148 | 137.8 Ų | 137.8 | 69% | 0.685 | 76% | 0.759 | S | S | * | * | trans | -121.8 | 84.7 | 156.3 | -76.2 | -75.8 | 0 | 0 | 0 | 108.4 | V108 W112 | V108-H110 PolarHBondContact O-N 2.98Å; H110-W112 VanDerWaalsContact C-N 3.32Å; H110-W112 PolarHBondContact O-N 2.95Å | ||
| 111 | H | 34.9 | Very low | 32.5 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -87.8 | 23.9 | -171 | -149.8 | -70.1 | 0 | 0 | 0 | 114.5 | T109 | T109-H111 HydrophobicContact CG2-CB 4.44Š| ||
| 112 | W | 35.4 | Very low | 32.7 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 56% | 0.557 | 77% | 0.766 | S | S | * | * | trans | -142 | 23.8 | -170.1 | 78.2 | -83.6 | 0 | 0 | 0 | 117.9 | H110 W203 L210 | H110-W112 VanDerWaalsContact C-N 3.32Å; H110-W112 PolarHBondContact O-N 2.95Å; W112-W203 HydrophobicContact CH2-CZ2 4.27Å; W112-W203 AromaticContact CZ3-CZ2 3.69Å; W112-W203 HydrophobicContact CZ3-CZ2 3.69Å; W112-L210 HydrophobicContact CH2-CD1 4.01Å | ||
| 113 | I | 38 | Very low | 32.6 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 49% | 0.487 | 77% | 0.768 | S | S | . | * | trans | -128.9 | 77 | 172.8 | -47.9 | 179.1 | 0 | 0 | 0 | 110.1 | F115 | I113-F115 HydrophobicContact CG2-CD2 3.45Å; I113-F115 VanDerWaalsContact CG2-CD2 3.45Å; I113-F115 HydrophobicContact CG2-CE2 3.38Å | ||
| 114 | S | 28.2 | Very low | 33 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | -91.9 | 111.1 | 159.7 | -69.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 115 | F | 33.2 | Very low | 33.3 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 69% | 0.689 | 77% | 0.768 | S | S | * | * | trans | -88.8 | 102.2 | 171.5 | -92 | -84.3 | 0 | 0 | 0 | 109.4 | I113 | I113-F115 HydrophobicContact CG2-CD2 3.45Å; I113-F115 VanDerWaalsContact CG2-CD2 3.45Å; I113-F115 HydrophobicContact CG2-CE2 3.38Å | ||
| 116 | S | 36.5 | Very low | 33.8 | Very low | 120 Ų | 120 | 133.9 Ų | 133.9 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -130.7 | 90.7 | 161.7 | 48.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 117 | G | 30.6 | Very low | 34 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | -157.1 | 111.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 118 | R | 36.9 | Very low | 34.4 | Very low | 241 Ų | 241 | 131.6 Ų | 131.6 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 141.4 | 171.1 | -77.6 | 177.3 | 171.8 | -143.3 | -1.6 | 110.6 | ||
| 119 | P | 36.4 | Very low | 34.3 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 123.5 | 168.9 | 32.5 | -27.1 | 0 | 0 | 0 | 110.5 | ||
| 120 | S | 31.4 | Very low | 34.3 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 117.6 | 166.7 | -62.6 | 0 | 0 | 0 | 0 | 109.3 | ||
| 121 | S | 31.7 | Very low | 34.5 | Very low | 123 Ų | 123 | 131 Ų | 131 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | 25.4 | 109.6 | 151.2 | -42.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 122 | V | 35.9 | Very low | 34.6 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -99.8 | 122.6 | 161.4 | -68.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 123 | S | 29.7 | Very low | 34.8 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 136.1 | 164.9 | -67.6 | 0 | 0 | 0 | 0 | 109.8 | ||
| 124 | S | 35.2 | Very low | 34.7 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.4 | -179.4 | -47.1 | 0 | 0 | 0 | 0 | 113.6 | ||
| 125 | S | 31.6 | Very low | 35.1 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | -152.2 | 109.8 | 149.5 | -77 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 126 | S | 37.8 | Very low | 35.1 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -78.7 | 140.4 | 169.2 | 40.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 127 | S | 36.4 | Very low | 35 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | -160.4 | 122.8 | 151.1 | -77.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 128 | T | 36.2 | Very low | 35.2 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 86% | 0.859 | 82% | 0.817 | S | S | * | * | trans | -101.4 | 168.5 | 166.7 | 47.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 129 | S | 32.7 | Very low | 34.9 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | 93.7 | 142.3 | 163.8 | -171.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 130 | S | 36.7 | Very low | 35.1 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | cis | -173.4 | 164.3 | -20.7 | -93.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 131 | D | 39.4 | Very low | 35.5 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -47.2 | 146.8 | -178.9 | -60 | -94.6 | 0 | 0 | 0 | 118.7 | ||||
| 132 | Q | 35.7 | Very low | 35.7 | Very low | 187 Ų | 187 | 137 Ų | 137 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -155.6 | 133.7 | 136.8 | -140.3 | 92.9 | 113.1 | 0 | 0 | 114.2 | ||||
| 133 | R | 40 | Very low | 35.8 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 79% | 0.789 | 81% | 0.808 | S | S | * | * | trans | -32 | 141.5 | 173.6 | -66.6 | 177.7 | 111.9 | -178.8 | 3.5 | 118.3 | ||||
| 134 | L | 35.8 | Very low | 36 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 93% | 0.927 | 81% | 0.806 | S | S | * | * | trans | -149.4 | 109.4 | 137.4 | -146.9 | 121.4 | 0 | 0 | 0 | 110.4 | ||||
| 135 | L | 36.3 | Very low | 35.8 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 64% | 0.644 | 81% | 0.808 | S | S | * | * | trans | -83.1 | 150.6 | 163.6 | -69.2 | 159.6 | 0 | 0 | 0 | 106.8 | ||||
| 136 | D | 33.8 | Very low | 36 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 58% | 0.583 | 81% | 0.807 | S | S | * | * | 178.4 | 144.3 | 59.3 | -138.3 | -78.7 | 0 | 0 | 0 | 105.2 | |||||
| 137 | H | 35.1 | Very low | 35.6 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 75% | 0.75 | 81% | 0.812 | S | S | * | * | -179.6 | 135.7 | 81.3 | -82.9 | -60.3 | 0 | 0 | 0 | 113.7 | |||||
| 138 | M | 34 | Very low | 35.5 | Very low | 184 Ų | 184 | 139.5 Ų | 139.5 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | 58.5 | 121.2 | 143.5 | -76 | -171.7 | 175 | 0 | 0 | 125.5 | ||||
| 139 | A | 31 | Very low | 36 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -162.9 | 152.4 | 130.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 140 | P | 41.2 | Very low | 35.9 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 167.8 | -157.7 | 35.6 | -34.8 | 0 | 0 | 0 | 116.3 | ||
| 141 | P | 38.9 | Very low | 36.2 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91 | 150.3 | -170.2 | 35.7 | -33.4 | 0 | 0 | 0 | 114 | ||
| 142 | P | 36.8 | Very low | 36 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 138.5 | 166.3 | 33.9 | -28.3 | 0 | 0 | 0 | 111.9 | ||
| 143 | V | 36.6 | Very low | 36 | Very low | 145 Ų | 145 | 146 Ų | 146 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 148.4 | 171.6 | -77.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 144 | A | 34.8 | Very low | 35.8 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 141.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 145 | D | 31.5 | Very low | 35.8 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -148.5 | 146.3 | 149.4 | -148.5 | -72.1 | 0 | 0 | 0 | 110.3 | ||||
| 146 | Q | 35.8 | Very low | 36 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -96.7 | 133.6 | -166.6 | -69 | -156.9 | 57.3 | 0 | 0 | 112 | ||||
| 147 | A | 29.8 | Very low | 35.8 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 88% | 0.884 | 83% | 0.83 | S | S | * | * | trans | -162.5 | 128 | 147.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 148 | S | 32.8 | Very low | 36 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 83% | 0.83 | S | S | * | * | trans | -90.3 | 177 | 172.8 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 149 | P | 46.4 | Very low | 36 | Very low | 117 Ų | 117 | 143.3 Ų | 143.3 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | cis | -123.8 | 151 | -37.8 | 26.7 | -8.5 | 0 | 0 | 0 | 112.1 | ||||
| 150 | R | 32.1 | Very low | 35.9 | Very low | 241 Ų | 241 | 145.2 Ų | 145.2 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -152.3 | 129.8 | 153.4 | -146.6 | 174.6 | -176.7 | -162.1 | 1.3 | 112.4 | V152 | R150-V152 PolarHBondContact O-N 2.65Š| ||
| 151 | A | 42.9 | Very low | 35.4 | Very low | 104 Ų | 104 | 144.7 Ų | 144.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -53.8 | 122.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 152 | V | 35.6 | Very low | 34.9 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -118.9 | 113.8 | 170.5 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | R150 I154 | R150-V152 PolarHBondContact O-N 2.65Å; V152-I154 PolarHBondContact O-N 3.21Å | ||
| 153 | R | 35.9 | Very low | 34.7 | Very low | 231 Ų | 231 | 146.4 Ų | 146.4 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -47.6 | 117.4 | 169.4 | -172.7 | 179.6 | -171.1 | 148.4 | -0.5 | 110.5 | Q155 | R153-Q155 PolarHBondContact O-N 2.9Š| ||
| 154 | I | 35.5 | Very low | 34.7 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 82% | 0.821 | 81% | 0.81 | S | S | * | * | trans | -61.1 | 105.5 | 174.8 | -57.2 | 169.8 | 0 | 0 | 0 | 108.3 | V152 | V152-I154 PolarHBondContact O-N 3.21Š| ||
| 155 | Q | 35.4 | Very low | 34.8 | Very low | 175 Ų | 175 | 150.4 Ų | 150.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -81.5 | 124.2 | 161.6 | -75.7 | -155.8 | 56.8 | 0 | 0 | 108.3 | R153 K157 | R153-Q155 PolarHBondContact O-N 2.9Å; Q155-K157 PolarHBondContact O-N 2.99Å | ||
| 156 | P | 40.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | trans | -69.3 | 115.8 | 171.4 | -12.7 | 27.3 | 0 | 0 | 0 | 109.3 | V158 | P156-V158 PolarHBondContact O-N 2.9Å; P156-V158 VanDerWaalsContact O-N 3.13Å | ||
| 157 | K | 29.3 | Very low | 34.8 | Very low | 205 Ų | 205 | 151.2 Ų | 151.2 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | -67.4 | 108.1 | 172.1 | -164.6 | 147.4 | -179.5 | 168.3 | 0 | 108.5 | Q155 V159 | Q155-K157 PolarHBondContact O-N 2.99Å; K157-V159 PolarHBondContact O-N 2.78Å | ||
| 158 | V | 38.5 | Very low | 34.8 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | trans | -66 | 115.6 | 173.8 | 173.3 | 0 | 0 | 0 | 0 | 108.2 | P156 H160 | P156-V158 PolarHBondContact O-N 2.9Å; P156-V158 VanDerWaalsContact O-N 3.13Å; V158-H160 PolarHBondContact O-N 3.15Å | ||
| 159 | V | 35.4 | Very low | 35.2 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -67 | 110.5 | 166.3 | 175.8 | 0 | 0 | 0 | 0 | 107.1 | K157 C161 | K157-V159 PolarHBondContact O-N 2.78Å; V159-C161 PolarHBondContact O-N 2.8Å | ||
| 160 | H | 29.4 | Very low | 35.1 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 64% | 0.644 | 80% | 0.802 | S | S | * | * | trans | -86.6 | 96.7 | -178.2 | -175.2 | 64.6 | 0 | 0 | 0 | 109.3 | V158 K162 | V158-H160 PolarHBondContact O-N 3.15Å; H160-K162 WeakPolarHBondContact NE2-CE 3.45Å; H160-K162 WeakPolarHBondContact NE2-CG 3.31Å | ||
| 161 | C | 30.7 | Very low | 35.3 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | trans | -93.6 | 113.3 | 159.8 | -70.6 | 0 | 0 | 0 | 0 | 107.5 | V159 P163 | V159-C161 PolarHBondContact O-N 2.8Å; C161-P163 WeakPolarHBondContact O-CD 3.29Å | ||
| 162 | K | 28.1 | Very low | 35.4 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 71% | 0.709 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 124.4 | 174.4 | -67.3 | 178.1 | 178.2 | 179 | 0 | 109.6 | H160 | H160-K162 WeakPolarHBondContact NE2-CE 3.45Å; H160-K162 WeakPolarHBondContact NE2-CG 3.31Å |
| 163 | P | 31.3 | Very low | 35.9 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 135.5 | 157.4 | -7.8 | 26.6 | 0 | 0 | 0 | 108.8 | C161 D165 | C161-P163 WeakPolarHBondContact O-CD 3.29Å; P163-D165 PolarHBondContact O-N 3.49Å |
| 164 | L | 37.3 | Very low | 36.3 | Very low | 174 Ų | 174 | 137 Ų | 137 | 91% | 0.911 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 129.4 | 176.7 | -72.9 | 158.1 | 0 | 0 | 0 | 110.3 | ||
| 165 | D | 36.2 | Very low | 36.9 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78 | 116.2 | -176.8 | -152.5 | -54.2 | 0 | 0 | 0 | 109.4 | P163 | P163-D165 PolarHBondContact O-N 3.49Š|
| 166 | L | 35.3 | Very low | 37.7 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | trans | -112.6 | 103.1 | 165.6 | -97.7 | 132.1 | 0 | 0 | 0 | 108.2 | G168 | L166-G168 PolarHBondContact O-N 3.29Š| ||
| 167 | K | 33.3 | Very low | 38.5 | Very low | 193 Ų | 193 | 134.4 Ų | 134.4 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | trans | -49.1 | 109.9 | 175.1 | -177.4 | 77.1 | 174.5 | -172 | 0 | 112.1 | ||||
| 168 | G | 29.9 | Very low | 40.4 | Very low | 56 Ų | 56 | 128.8 Ų | 128.8 | 58% | 0.577 | 73% | 0.729 | S | S | * | * | trans | -109.2 | 152.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L166 | L166-G168 PolarHBondContact O-N 3.29Š| ||
| 169 | P | 39.9 | Very low | 41.8 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -75.6 | 148.5 | -168.3 | 30 | -30.9 | 0 | 0 | 0 | 112.9 | ||||
| 170 | A | 44.2 | Very low | 43.7 | Very low | 101 Ų | 101 | 123.4 Ų | 123.4 | 84% | 0.835 | 69% | 0.687 | S | S | * | * | trans | -56.9 | 127.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 171 | V | 37.9 | Very low | 46.2 | Very low | 125 Ų | 125 | 119.1 Ų | 119.1 | 76% | 0.758 | 67% | 0.669 | S | S | * | * | trans | -120.3 | 116.2 | 158.4 | -177.1 | 0 | 0 | 0 | 0 | 107.1 | S173 | V171-S173 PolarHBondContact O-N 3.13Š| ||
| 172 | P | 45.1 | Very low | 48.6 | Very low | 125 Ų | 125 | 113.9 Ų | 113.9 | 81% | 0.812 | 63% | 0.634 | S | S | * | * | trans | -86.3 | 91.9 | 178.1 | 30.8 | -28.4 | 0 | 0 | 0 | 110.6 | ||||
| 173 | S | 45.2 | Very low | 51.2 | Low | 99 Ų | 99 | 112.6 Ų | 112.6 | 69% | 0.692 | 63% | 0.63 | S | S | * | * | trans | -165.8 | 151 | 156.4 | -82.6 | 0 | 0 | 0 | 0 | 105.9 | V171 | V171-S173 PolarHBondContact O-N 3.13Š| ||
| 174 | E | 45.2 | Very low | 53.3 | Low | 113 Ų | 113 | 110.2 Ų | 110.2 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | S | Bend | trans | 101.9 | 14.3 | -176.3 | -51.1 | -68.8 | 146.7 | 0 | 0 | 117 | K177 | E174-K177 IonicContact OE1-NZ 3.87Å; E174-K177 PolarHBondContact OE1-NZ 3.38Å; E174-K177 WeakPolarHBondContact OE2-CD 3.02Å; E174-K177 VanDerWaalsContact OE2-CE 3.32Å; E174-K177 WeakPolarHBondContact OE2-CE 3.27Å; E174-K177 IonicContact OE2-NZ 2.74Å; E174-K177 PolarHBondContact OE2-NZ 2.74Å |
| 175 | L | 48.3 | Very low | 55.3 | Low | 170 Ų | 170 | 104.5 Ų | 104.5 | 89% | 0.89 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -104.6 | 8.9 | 171.1 | -150.1 | 73.7 | 0 | 0 | 0 | 114.5 | ||
| 176 | D | 50.6 | Low | 57.1 | Low | 125 Ų | 125 | 99.5 Ų | 99.5 | 67% | 0.668 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -124.9 | 23.4 | -174.8 | -151.6 | 49.1 | 0 | 0 | 0 | 115.8 | F179 | D176-F179 VanDerWaalsContact C-CD2 3.48Å; D176-F179 HydrophobicContact CB-CE2 4.31Å; D176-F179 WeakPolarHBondContact O-CD2 3.33Å; D176-F179 WeakPolarHBondContact OD1-CE2 3.41Å; D176-F179 WeakPolarHBondContact OD1-CZ 3.36Å |
| 177 | K | 57.4 | Low | 59.4 | Low | 101 Ų | 101 | 96 Ų | 96 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | trans | -106.8 | -7.5 | -171.7 | -65.5 | -177.5 | -172.2 | 172.1 | 0 | 116 | E174 F179 C190 | E174-K177 IonicContact OE1-NZ 3.87Å; E174-K177 PolarHBondContact OE1-NZ 3.38Å; E174-K177 WeakPolarHBondContact OE2-CD 3.02Å; E174-K177 VanDerWaalsContact OE2-CE 3.32Å; E174-K177 WeakPolarHBondContact OE2-CE 3.27Å; E174-K177 IonicContact OE2-NZ 2.74Å; E174-K177 PolarHBondContact OE2-NZ 2.74Å; K177-F179 PolarHBondContact O-N 3.49Å; K177-C190 WeakPolarHBondContact O-CB 3.48Å | ||
| 178 | H | 69.1 | Low | 61.8 | Low | 87 Ų | 87 | 87.4 Ų | 87.4 | 40% | 0.403 | 52% | 0.521 | S | S | . | . | trans | -92 | 14.9 | -176.7 | -69.7 | -79.1 | 0 | 0 | 0 | 115.3 | C188 C190 E192 C193 | H178-C188 VanDerWaalsContact CA-SG 3.6Å; H178-C190 VanDerWaalsContact CE1-SG 3.59Å; H178-C190 PolarHBondContact ND1-SG 3.09Å; H178-E192 IonicContact NE2-OE2 3.83Å; H178-C193 PolarHBondContact CE1-SG 3.27Å; H178-C193 PolarHBondContact ND1-SG 3.22Å; H178-C193 VanDerWaalsContact ND1-SG 3.41Å | ||
| 179 | F | 68.8 | Low | 64.1 | Low | 68 Ų | 68 | 88 Ų | 88 | 30% | 0.298 | 51% | 0.507 | S | S | . | . | trans | -89.6 | -11.6 | -171.1 | -61.4 | -90.8 | 0 | 0 | 0 | 114.6 | D176 K177 L181 I305 C306 | D176-F179 VanDerWaalsContact C-CD2 3.48Å; D176-F179 HydrophobicContact CB-CE2 4.31Å; D176-F179 WeakPolarHBondContact O-CD2 3.33Å; D176-F179 WeakPolarHBondContact OD1-CE2 3.41Å; D176-F179 WeakPolarHBondContact OD1-CZ 3.36Å; K177-F179 PolarHBondContact O-N 3.49Å; F179-L181 PolarHBondContact O-N 2.96Å; F179-L181 VanDerWaalsContact O-N 3.15Å; F179-I305 HydrophobicContact CB-CG2 4.48Å; F179-I305 WeakPolarHBondContact O-CA 3.46Å; F179-C306 WeakPolarHBondContact CD1-O 3.26Å; F179-C306 PolarHBondContact O-N 3.12Å | ||
| 180 | L | 74.8 | Confident | 66 | Low | 71 Ų | 71 | 82.5 Ų | 82.5 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 86.9 | 178 | -67.6 | 163.6 | 0 | 0 | 0 | 109.6 | C188 K189 I305 | L180-C188 CarbonylContact O-C 3.58Å; L180-C188 WeakPolarHBondContact O-CA 3.39Å; L180-K189 HydrophobicContact CB-CB 4.42Å; L180-K189 PolarHBondContact O-N 2.78Å; L180-I305 HydrophobicContact CD2-CD1 4.48Å; L180-I305 HydrophobicContact CD2-CG1 3.79Å |
| 181 | L | 81.3 | Confident | 67.3 | Low | 49 Ų | 49 | 87.1 Ų | 87.1 | 26% | 0.257 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 148.5 | 176.9 | -58.3 | -169.5 | 0 | 0 | 0 | 111 | F179 C188 S303 V304 C306 | F179-L181 PolarHBondContact O-N 2.96Å; F179-L181 VanDerWaalsContact O-N 3.15Å; L181-C188 HydrophobicContact CD2-CB 4.34Å; L181-S303 CarbonylContact O-C 3.54Å; L181-S303 WeakPolarHBondContact O-CA 3.35Å; L181-V304 PolarHBondContact N-O 3.11Å; L181-V304 PolarHBondContact O-N 3.38Å; L181-C306 HydrophobicContact CD1-CB 4.46Å; L181-C306 WeakPolarHBondContact CD1-SG 3.1Å |
| 182 | C | 82.2 | Confident | 68.9 | Low | 2 Ų | 2 | 85.7 Ų | 85.7 | 1% | 0.014 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123.5 | 178.8 | -157.7 | 0 | 0 | 0 | 0 | 110.4 | A184 C185 G186 K187 K189 C296 T301 | C182-A184 PolarHBondContact O-N 2.81Å; C182-C185 VanDerWaalsContact CB-SG 3.6Å; C182-C185 PolarHBondContact O-N 3.41Å; C182-C185 VanDerWaalsContact SG-SG 3.68Å; C182-G186 VanDerWaalsContact O-CA 3.29Å; C182-G186 WeakPolarHBondContact O-CA 3.4Å; C182-G186 PolarHBondContact O-N 3.13Å; C182-K187 VanDerWaalsContact CB-O 3.31Å; C182-K187 WeakPolarHBondContact CB-O 3.15Å; C182-K187 PolarHBondContact N-O 3.48Å; C182-K189 HydrophobicContact CB-CG 4.36Å; C182-K189 WeakPolarHBondContact SG-CE 3.24Å; C182-C296 HydrophobicContact CB-CB 3.3Å; C182-C296 WeakPolarHBondContact CB-SG 3.21Å; C182-C296 WeakPolarHBondContact SG-CB 3.3Å; C182-C296 CovalentContact SG-SG 2.06Å; C182-C296 PolarHBondContact SG-SG 2.84Å; C182-T301 PolarHBondContact SG-OG1 2.91Å |
| 183 | E | 81.4 | Confident | 70.2 | Confident | 135 Ų | 135 | 80.5 Ų | 80.5 | 63% | 0.631 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -36.5 | -176.8 | -165 | 179.2 | 164.8 | 0 | 0 | 113.1 | N302 V304 | E183-N302 PolarHBondContact N-O 3.25Å; E183-V304 HydrophobicContact CB-CG2 3.97Å; E183-V304 HydrophobicContact CG-CG2 3.98Å |
| 184 | A | 76.9 | Confident | 71.4 | Confident | 72 Ų | 72 | 78.1 Ų | 78.1 | 60% | 0.595 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -22.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | C182 T301 | C182-A184 PolarHBondContact O-N 2.81Å; A184-T301 HydrophobicContact CB-CG2 3.77Å |
| 185 | C | 79.6 | Confident | 72.3 | Confident | 54 Ų | 54 | 74.8 Ų | 74.8 | 37% | 0.365 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | 0.6 | -175.5 | 72.2 | 0 | 0 | 0 | 0 | 115.6 | C182 K187 C296 | C182-C185 VanDerWaalsContact CB-SG 3.6Å; C182-C185 PolarHBondContact O-N 3.41Å; C182-C185 VanDerWaalsContact SG-SG 3.68Å; C185-K187 PolarHBondContact O-N 3.22Å; C185-C296 PolarHBondContact SG-SG 3.38Å |
| 186 | G | 74.1 | Confident | 72.9 | Confident | 47 Ų | 47 | 70.9 Ų | 70.9 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | trans | 65.5 | 4.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | C182 | C182-G186 VanDerWaalsContact O-CA 3.29Å; C182-G186 WeakPolarHBondContact O-CA 3.4Å; C182-G186 PolarHBondContact O-N 3.13Å | ||
| 187 | K | 81.6 | Confident | 73.6 | Confident | 98 Ų | 98 | 71.2 Ų | 71.2 | 43% | 0.426 | 38% | 0.377 | S | S | . | . | trans | -87.5 | 150 | -176.9 | -63.1 | -173.8 | 179.7 | -167.7 | 0 | 112.7 | C182 C185 G295 C296 | C182-K187 VanDerWaalsContact CB-O 3.31Å; C182-K187 WeakPolarHBondContact CB-O 3.15Å; C182-K187 PolarHBondContact N-O 3.48Å; C185-K187 PolarHBondContact O-N 3.22Å; K187-G295 VanDerWaalsContact CD-O 3.3Å; K187-G295 WeakPolarHBondContact CD-O 3.38Å; K187-C296 HydrophobicContact CB-CB 4.03Å | ||
| 188 | C | 83.8 | Confident | 73.9 | Confident | 12 Ų | 12 | 71.4 Ų | 71.4 | 8% | 0.081 | 39% | 0.387 | C | S | . | . | B | Isolated β-bridge | trans | -62 | 139.3 | 177.6 | -167.7 | 0 | 0 | 0 | 0 | 112.2 | H178 L180 L181 C190 C193 G295 C296 | H178-C188 VanDerWaalsContact CA-SG 3.6Å; L180-C188 CarbonylContact O-C 3.58Å; L180-C188 WeakPolarHBondContact O-CA 3.39Å; L181-C188 HydrophobicContact CD2-CB 4.34Å; C188-C190 WeakPolarHBondContact CB-SG 3.31Å; C188-C190 WeakPolarHBondContact SG-CB 3.34Å; C188-C190 PolarHBondContact SG-N 3.39Å; C188-C190 CovalentContact SG-SG 2.08Å; C188-C190 PolarHBondContact SG-SG 3.1Å; C188-C193 HydrophobicContact CB-CB 3.93Å; C188-G295 CarbonylContact O-C 3.56Å; C188-G295 WeakPolarHBondContact O-CA 3.29Å; C188-C296 PolarHBondContact O-N 2.96Å |
| 189 | K | 79.9 | Confident | 73.6 | Confident | 67 Ų | 67 | 69.5 Ų | 69.5 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | trans | -99 | 0.7 | 172.4 | -75.5 | -168.6 | 179.4 | -159.7 | 0 | 114.4 | L180 C182 C296 T301 | L180-K189 HydrophobicContact CB-CB 4.42Å; L180-K189 PolarHBondContact O-N 2.78Å; C182-K189 HydrophobicContact CB-CG 4.36Å; C182-K189 WeakPolarHBondContact SG-CE 3.24Å; K189-C296 HydrophobicContact CG-CB 3.85Å; K189-T301 PolarHBondContact NZ-O 2.91Å; K189-T301 PolarHBondContact NZ-OG1 2.87Å; K189-T301 VanDerWaalsContact NZ-OG1 3.09Å | ||
| 190 | C | 78 | Confident | 73.5 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 8% | 0.081 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -55.5 | 146.5 | 177 | 45.9 | 0 | 0 | 0 | 0 | 112.8 | K177 H178 C188 E192 C193 A194 | K177-C190 WeakPolarHBondContact O-CB 3.48Å; H178-C190 VanDerWaalsContact CE1-SG 3.59Å; H178-C190 PolarHBondContact ND1-SG 3.09Å; C188-C190 WeakPolarHBondContact CB-SG 3.31Å; C188-C190 WeakPolarHBondContact SG-CB 3.34Å; C188-C190 PolarHBondContact SG-N 3.39Å; C188-C190 CovalentContact SG-SG 2.08Å; C188-C190 PolarHBondContact SG-SG 3.1Å; C190-E192 PolarHBondContact O-N 3Å; C190-E192 VanDerWaalsContact O-N 3.14Å; C190-C193 PolarHBondContact O-N 2.81Å; C190-C193 WeakPolarHBondContact SG-CB 3.48Å; C190-C193 PolarHBondContact SG-SG 3.4Å; C190-A194 VanDerWaalsContact O-CB 3.32Å; C190-A194 WeakPolarHBondContact O-CB 3.31Å; C190-A194 PolarHBondContact O-N 3.41Å |
| 191 | K | 71.4 | Confident | 73.2 | Confident | 197 Ų | 197 | 69.9 Ų | 69.9 | 86% | 0.857 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32 | -177.3 | -167.3 | 177.6 | 178.9 | -175.3 | 0 | 112.7 | S195 | K191-S195 WeakPolarHBondContact O-CB 3.35Å; K191-S195 PolarHBondContact O-N 3.1Å |
| 192 | E | 72.4 | Confident | 72.5 | Confident | 95 Ų | 95 | 71 Ų | 71 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -36.7 | 177.1 | -71.1 | 165.6 | -141.5 | 0 | 0 | 114.1 | H178 C190 S195 | H178-E192 IonicContact NE2-OE2 3.83Å; C190-E192 PolarHBondContact O-N 3Å; C190-E192 VanDerWaalsContact O-N 3.14Å; E192-S195 PolarHBondContact O-OG 2.63Å |
| 193 | C | 72.7 | Confident | 71.7 | Confident | 17 Ų | 17 | 76.6 Ų | 76.6 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -22.2 | 173.4 | -67.6 | 0 | 0 | 0 | 0 | 112.4 | H178 C188 C190 P294 G295 | H178-C193 PolarHBondContact CE1-SG 3.27Å; H178-C193 PolarHBondContact ND1-SG 3.22Å; H178-C193 VanDerWaalsContact ND1-SG 3.41Å; C188-C193 HydrophobicContact CB-CB 3.93Å; C190-C193 PolarHBondContact O-N 2.81Å; C190-C193 WeakPolarHBondContact SG-CB 3.48Å; C190-C193 PolarHBondContact SG-SG 3.4Å; C193-P294 HydrophobicContact CB-CG 4.23Å; C193-G295 WeakPolarHBondContact O-CA 3.3Å; C193-G295 PolarHBondContact O-N 3.47Å |
| 194 | A | 70.3 | Confident | 70.9 | Confident | 48 Ų | 48 | 73.1 Ų | 73.1 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -90.1 | -0.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | C190 R293 | C190-A194 VanDerWaalsContact O-CB 3.32Å; C190-A194 WeakPolarHBondContact O-CB 3.31Å; C190-A194 PolarHBondContact O-N 3.41Å; A194-R293 PolarHBondContact O-NH1 3.22Å |
| 195 | S | 64.4 | Low | 70.3 | Confident | 44 Ų | 44 | 73.3 Ų | 73.3 | 31% | 0.308 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -79.2 | 147.2 | 177.8 | 66.4 | 0 | 0 | 0 | 0 | 112.2 | K191 E192 R293 | K191-S195 WeakPolarHBondContact O-CB 3.35Å; K191-S195 PolarHBondContact O-N 3.1Å; E192-S195 PolarHBondContact O-OG 2.63Å; S195-R293 VanDerWaalsContact C-CZ 3.46Å; S195-R293 VanDerWaalsContact O-CZ 3.28Å; S195-R293 PolarHBondContact O-NH1 3.06Å |
| 196 | P | 61.3 | Low | 69.7 | Low | 87 Ų | 87 | 78.1 Ų | 78.1 | 57% | 0.565 | 43% | 0.432 | S | S | * | . | trans | -60.3 | 132.8 | 169.7 | -9.5 | 21.1 | 0 | 0 | 0 | 112 | D289 R293 | P196-D289 WeakPolarHBondContact CA-OD1 3.32Å; P196-R293 VanDerWaalsContact N-CZ 3.3Å; P196-R293 VanDerWaalsContact N-NH2 3.19Å | ||
| 197 | R | 64.1 | Low | 69.5 | Low | 132 Ų | 132 | 83.3 Ų | 83.3 | 50% | 0.498 | 44% | 0.444 | S | S | . | . | trans | -97 | 106.8 | 172.8 | -69.4 | -61.6 | -173.3 | 136.3 | -3.2 | 107.8 | Q285 Y288 D289 | R197-Q285 PolarHBondContact O-NE2 3.46Å; R197-Y288 HydrophobicContact CB-CE1 4.48Å; R197-D289 PolarHBondContact N-OD1 3.37Å | ||
| 198 | T | 64.6 | Low | 68.6 | Low | 106 Ų | 106 | 86 Ų | 86 | 65% | 0.65 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -54 | 148.8 | 168.9 | 50 | 0 | 0 | 0 | 0 | 110.8 | Q285 | T198-Q285 VanDerWaalsContact CA-NE2 3.33Š|
| 199 | L | 61.4 | Low | 67.6 | Low | 47 Ų | 47 | 88.4 Ų | 88.4 | 25% | 0.246 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -56 | 138.1 | 173.5 | -83.9 | 156.3 | 0 | 0 | 0 | 108.1 | S201 A213 V281 Q285 Y288 | L199-S201 PolarHBondContact O-N 2.98Å; L199-A213 HydrophobicContact CD1-CB 4.23Å; L199-V281 HydrophobicContact CD1-CG1 3.89Å; L199-Q285 VanDerWaalsContact CB-OE1 3.24Å; L199-Q285 HydrophobicContact CD1-CB 3.8Å; L199-Q285 VanDerWaalsContact CD1-OE1 3.26Å; L199-Q285 HydrophobicContact CG-CB 4.26Å; L199-Y288 HydrophobicContact CD2-CG 4.41Å |
| 200 | P | 66.6 | Low | 67.3 | Low | 94 Ų | 94 | 86.2 Ų | 86.2 | 61% | 0.61 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -62 | 129.7 | 179.3 | 25.7 | -32.4 | 0 | 0 | 0 | 109.7 | ||
| 201 | S | 69.3 | Low | 66.9 | Low | 52 Ų | 52 | 88.7 Ų | 88.7 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | trans | -104.7 | 126 | 165.7 | 54.7 | 0 | 0 | 0 | 0 | 108 | L199 C211 | L199-S201 PolarHBondContact O-N 2.98Å; S201-C211 WeakPolarHBondContact CA-O 3.37Å | ||
| 202 | C | 67.3 | Low | 67.3 | Low | 73 Ų | 73 | 80.3 Ų | 80.3 | 49% | 0.493 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 141.1 | 172.2 | 55 | 0 | 0 | 0 | 0 | 109.9 | C211 | C202-C211 PolarHBondContact N-O 3.39Å; C202-C211 VanDerWaalsContact N-O 3.13Å; C202-C211 WeakPolarHBondContact O-CA 3.24Å; C202-C211 WeakPolarHBondContact O-CB 3.4Å; C202-C211 PolarHBondContact O-N 2.08Å |
| 203 | W | 63.6 | Low | 67.6 | Low | 119 Ų | 119 | 77.5 Ų | 77.5 | 45% | 0.451 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 125.8 | 166.7 | -72.1 | 97.9 | 0 | 0 | 0 | 108.2 | W112 Q207 C209 L210 | W112-W203 HydrophobicContact CH2-CZ2 4.27Å; W112-W203 AromaticContact CZ3-CZ2 3.69Å; W112-W203 HydrophobicContact CZ3-CZ2 3.69Å; W203-Q207 VanDerWaalsContact CZ3-O 3.28Å; W203-Q207 WeakPolarHBondContact CZ3-O 3.14Å; W203-C209 WeakPolarHBondContact CA-O 3.11Å; W203-L210 HydrophobicContact CD2-CB 4.43Å; W203-L210 HydrophobicContact CD2-CD1 3.99Å; W203-L210 VanDerWaalsContact CE2-CD1 3.44Å; W203-L210 HydrophobicContact CE3-CB 4.14Å; W203-L210 HydrophobicContact CE3-CD1 4.49Å; W203-L210 HydrophobicContact CH2-CB 4.09Å; W203-L210 HydrophobicContact CH2-CD1 4.08Å; W203-L210 HydrophobicContact CZ2-CB 4.35Å; W203-L210 HydrophobicContact CZ2-CD1 3.48Å; W203-L210 VanDerWaalsContact CZ2-CD1 3.48Å; W203-L210 HydrophobicContact CZ3-CB 3.98Å |
| 204 | V | 66.3 | Low | 67.9 | Low | 62 Ų | 62 | 80 Ų | 80 | 38% | 0.376 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 161.8 | -179.9 | -170.7 | 0 | 0 | 0 | 0 | 107.7 | C209 C211 | V204-C209 PolarHBondContact N-O 3.29Å; V204-C209 WeakPolarHBondContact O-CB 3Å; V204-C209 PolarHBondContact O-N 3.14Å; V204-C211 HydrophobicContact CG2-CB 3.84Å; V204-C211 WeakPolarHBondContact CG2-SG 3.45Å |
| 205 | C | 64.3 | Low | 68.4 | Low | 76 Ų | 76 | 79.2 Ų | 79.2 | 51% | 0.514 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 68.5 | -177.1 | -53.7 | 0 | 0 | 0 | 0 | 112.4 | Q207 E208 C209 | C205-Q207 VanDerWaalsContact C-N 3.25Å; C205-Q207 PolarHBondContact O-N 2.89Å; C205-Q207 VanDerWaalsContact O-N 3.09Å; C205-E208 WeakPolarHBondContact O-CB 3.43Å; C205-E208 PolarHBondContact O-N 3.06Å; C205-C209 HydrophobicContact CB-CB 4.28Å |
| 206 | N | 65.6 | Low | 69.2 | Low | 155 Ų | 155 | 83.3 Ų | 83.3 | 83% | 0.829 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 33.9 | 175.3 | -63 | -33.5 | 0 | 0 | 0 | 115.8 | E208 | N206-E208 VanDerWaalsContact C-N 3.3Š|
| 207 | Q | 69.7 | Low | 70.3 | Confident | 156 Ų | 156 | 80 Ų | 80 | 73% | 0.729 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 16.2 | -175.6 | -50.8 | -177.9 | 83.1 | 0 | 0 | 115.7 | W203 C205 | W203-Q207 VanDerWaalsContact CZ3-O 3.28Å; W203-Q207 WeakPolarHBondContact CZ3-O 3.14Å; C205-Q207 VanDerWaalsContact C-N 3.25Å; C205-Q207 PolarHBondContact O-N 2.89Å; C205-Q207 VanDerWaalsContact O-N 3.09Å |
| 208 | E | 63.8 | Low | 71.2 | Confident | 156 Ų | 156 | 75 Ų | 75 | 73% | 0.729 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -23.4 | 179.3 | -58.5 | -174.1 | 139.5 | 0 | 0 | 112.5 | C205 N206 | C205-E208 WeakPolarHBondContact O-CB 3.43Å; C205-E208 PolarHBondContact O-N 3.06Å; N206-E208 VanDerWaalsContact C-N 3.3Å |
| 209 | C | 63 | Low | 72.1 | Confident | 62 Ų | 62 | 77.3 Ų | 77.3 | 42% | 0.419 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 114.7 | -178.3 | -65.9 | 0 | 0 | 0 | 0 | 112 | W203 V204 C205 C211 | W203-C209 WeakPolarHBondContact CA-O 3.11Å; V204-C209 PolarHBondContact N-O 3.29Å; V204-C209 WeakPolarHBondContact O-CB 3Å; V204-C209 PolarHBondContact O-N 3.14Å; C205-C209 HydrophobicContact CB-CB 4.28Å; C209-C211 PolarHBondContact O-N 3.2Å |
| 210 | L | 72.7 | Confident | 73 | Confident | 20 Ų | 20 | 77.7 Ų | 77.7 | 11% | 0.105 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 99.5 | 170.5 | -173.7 | 105.5 | 0 | 0 | 0 | 110.3 | W112 W203 S212 T215 | W112-L210 HydrophobicContact CH2-CD1 4.01Å; W203-L210 HydrophobicContact CD2-CB 4.43Å; W203-L210 HydrophobicContact CD2-CD1 3.99Å; W203-L210 VanDerWaalsContact CE2-CD1 3.44Å; W203-L210 HydrophobicContact CE3-CB 4.14Å; W203-L210 HydrophobicContact CE3-CD1 4.49Å; W203-L210 HydrophobicContact CH2-CB 4.09Å; W203-L210 HydrophobicContact CH2-CD1 4.08Å; W203-L210 HydrophobicContact CZ2-CB 4.35Å; W203-L210 HydrophobicContact CZ2-CD1 3.48Å; W203-L210 VanDerWaalsContact CZ2-CD1 3.48Å; W203-L210 HydrophobicContact CZ3-CB 3.98Å; L210-S212 VanDerWaalsContact C-N 3.32Å; L210-S212 PolarHBondContact O-N 3.24Å; L210-T215 WeakPolarHBondContact O-CB 3.32Å; L210-T215 WeakPolarHBondContact O-CG2 3.12Å; L210-T215 PolarHBondContact O-OG1 2.81Å; L210-T215 VanDerWaalsContact O-OG1 3.11Å |
| 211 | C | 69.4 | Low | 74 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 43% | 0.432 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 85.4 | 169.4 | -73.1 | 0 | 0 | 0 | 0 | 109.7 | S201 C202 V204 C209 | S201-C211 WeakPolarHBondContact CA-O 3.37Å; C202-C211 PolarHBondContact N-O 3.39Å; C202-C211 VanDerWaalsContact N-O 3.13Å; C202-C211 WeakPolarHBondContact O-CA 3.24Å; C202-C211 WeakPolarHBondContact O-CB 3.4Å; C202-C211 PolarHBondContact O-N 2.08Å; V204-C211 HydrophobicContact CG2-CB 3.84Å; V204-C211 WeakPolarHBondContact CG2-SG 3.45Å; C209-C211 PolarHBondContact O-N 3.2Å |
| 212 | S | 79.8 | Confident | 74.7 | Confident | 22 Ų | 22 | 72.2 Ų | 72.2 | 15% | 0.154 | 40% | 0.398 | C | S | . | . | trans | -110.3 | 153.3 | 166.9 | 85 | 0 | 0 | 0 | 0 | 110.5 | L210 Q214 T215 L216 | L210-S212 VanDerWaalsContact C-N 3.32Å; L210-S212 PolarHBondContact O-N 3.24Å; S212-Q214 PolarHBondContact O-N 3.38Å; S212-Q214 PolarHBondContact OG-N 2.92Å; S212-T215 PolarHBondContact O-N 3.27Å; S212-T215 VanDerWaalsContact O-N 3.12Å; S212-T215 PolarHBondContact OG-N 3.27Å; S212-T215 PolarHBondContact OG-OG1 2.79Å; S212-L216 PolarHBondContact O-N 2.85Å | ||
| 213 | A | 80.1 | Confident | 75.5 | Confident | 36 Ų | 36 | 69.2 Ų | 69.2 | 30% | 0.298 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.6 | -32.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L199 V217 V281 | L199-A213 HydrophobicContact CD1-CB 4.23Å; A213-V217 VanDerWaalsContact O-CG2 3.3Å; A213-V217 WeakPolarHBondContact O-CG2 3.39Å; A213-V217 PolarHBondContact O-N 3.44Å; A213-V281 HydrophobicContact CB-CG1 3.76Å; A213-V281 HydrophobicContact CB-CG2 4.07Å |
| 214 | Q | 78.9 | Confident | 76.3 | Confident | 70 Ų | 70 | 65.4 Ų | 65.4 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -71 | -42.8 | 177.2 | -169.5 | 62.4 | 47.1 | 0 | 0 | 112 | S212 L216 V217 N218 | S212-Q214 PolarHBondContact O-N 3.38Å; S212-Q214 PolarHBondContact OG-N 2.92Å; Q214-L216 VanDerWaalsContact C-N 3.34Å; Q214-L216 PolarHBondContact O-N 3.25Å; Q214-V217 PolarHBondContact O-N 2.98Å; Q214-N218 PolarHBondContact NE2-OD1 3.5Å; Q214-N218 VanDerWaalsContact NE2-OD1 3.13Å; Q214-N218 PolarHBondContact O-N 2.73Å; Q214-N218 PolarHBondContact O-OD1 3.46Å |
| 215 | T | 79.4 | Confident | 77 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 19% | 0.19 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 177.2 | -51.1 | 0 | 0 | 0 | 0 | 110.8 | L210 S212 V217 N218 Y219 | L210-T215 WeakPolarHBondContact O-CB 3.32Å; L210-T215 WeakPolarHBondContact O-CG2 3.12Å; L210-T215 PolarHBondContact O-OG1 2.81Å; L210-T215 VanDerWaalsContact O-OG1 3.11Å; S212-T215 PolarHBondContact O-N 3.27Å; S212-T215 VanDerWaalsContact O-N 3.12Å; S212-T215 PolarHBondContact OG-N 3.27Å; S212-T215 PolarHBondContact OG-OG1 2.79Å; T215-V217 PolarHBondContact O-N 3Å; T215-N218 PolarHBondContact O-N 2.98Å; T215-Y219 HydrophobicContact CG2-CD2 3.65Å; T215-Y219 HydrophobicContact CG2-CE2 3.35Å; T215-Y219 WeakPolarHBondContact O-CD2 3.06Å; T215-Y219 PolarHBondContact O-N 2.95Å |
| 216 | L | 82.3 | Confident | 77.9 | Confident | 130 Ų | 130 | 63.1 Ų | 63.1 | 68% | 0.681 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 178.2 | -177.2 | 63.2 | 0 | 0 | 0 | 112.2 | S212 Q214 Y219 G220 | S212-L216 PolarHBondContact O-N 2.85Å; Q214-L216 VanDerWaalsContact C-N 3.34Å; Q214-L216 PolarHBondContact O-N 3.25Å; L216-Y219 PolarHBondContact O-N 3.19Å; L216-G220 PolarHBondContact O-N 3.47Å |
| 217 | V | 84.5 | Confident | 78.7 | Confident | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 175.3 | 169.1 | 0 | 0 | 0 | 0 | 110.4 | A213 Q214 T215 Y219 G220 T221 Y274 A277 V281 | A213-V217 VanDerWaalsContact O-CG2 3.3Å; A213-V217 WeakPolarHBondContact O-CG2 3.39Å; A213-V217 PolarHBondContact O-N 3.44Å; Q214-V217 PolarHBondContact O-N 2.98Å; T215-V217 PolarHBondContact O-N 3Å; V217-Y219 VanDerWaalsContact C-N 3.33Å; V217-Y219 PolarHBondContact O-N 2.78Å; V217-G220 PolarHBondContact O-N 2.91Å; V217-T221 HydrophobicContact CG1-CG2 4.23Å; V217-T221 WeakPolarHBondContact O-CB 3.35Å; V217-T221 WeakPolarHBondContact O-CG2 3.48Å; V217-T221 PolarHBondContact O-N 3.45Å; V217-T221 PolarHBondContact O-OG1 2.66Å; V217-Y274 HydrophobicContact CG1-CD2 3.63Å; V217-Y274 HydrophobicContact CG1-CE2 3.82Å; V217-A277 HydrophobicContact CG1-CB 3.96Å; V217-A277 HydrophobicContact CG2-CB 4.03Å; V217-V281 HydrophobicContact CG2-CG2 3.73Å |
| 218 | N | 83.8 | Confident | 79.2 | Confident | 28 Ų | 28 | 53.1 Ų | 53.1 | 15% | 0.15 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | -179.2 | -68.2 | -4.6 | 0 | 0 | 0 | 112.6 | Q214 T215 M223 C224 | Q214-N218 PolarHBondContact NE2-OD1 3.5Å; Q214-N218 VanDerWaalsContact NE2-OD1 3.13Å; Q214-N218 PolarHBondContact O-N 2.73Å; Q214-N218 PolarHBondContact O-OD1 3.46Å; T215-N218 PolarHBondContact O-N 2.98Å; N218-M223 HydrophobicContact CB-CB 4.42Å; N218-M223 PolarHBondContact O-N 3.06Å; N218-C224 PolarHBondContact O-N 2.59Å |
| 219 | Y | 81.6 | Confident | 80 | Confident | 155 Ų | 155 | 48.2 Ų | 48.2 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -74.1 | -40.5 | 176.2 | -73 | -65 | 0 | 0 | 0 | 112.9 | T215 L216 V217 T221 C224 | T215-Y219 HydrophobicContact CG2-CD2 3.65Å; T215-Y219 HydrophobicContact CG2-CE2 3.35Å; T215-Y219 WeakPolarHBondContact O-CD2 3.06Å; T215-Y219 PolarHBondContact O-N 2.95Å; L216-Y219 PolarHBondContact O-N 3.19Å; V217-Y219 VanDerWaalsContact C-N 3.33Å; V217-Y219 PolarHBondContact O-N 2.78Å; Y219-T221 PolarHBondContact O-N 3.23Å; Y219-C224 HydrophobicContact CD1-CB 4.27Å; Y219-C224 HydrophobicContact CE1-CB 4.32Å |
| 220 | G | 82.2 | Confident | 80.7 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 57% | 0.567 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -72.8 | -26.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L216 V217 | L216-G220 PolarHBondContact O-N 3.47Å; V217-G220 PolarHBondContact O-N 2.91Å |
| 221 | T | 85.8 | Confident | 80.9 | Confident | 8 Ų | 8 | 52.7 Ų | 52.7 | 5% | 0.049 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 11.6 | -179.1 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | V217 Y219 M223 C270 L271 C273 Y274 A277 | V217-T221 HydrophobicContact CG1-CG2 4.23Å; V217-T221 WeakPolarHBondContact O-CB 3.35Å; V217-T221 WeakPolarHBondContact O-CG2 3.48Å; V217-T221 PolarHBondContact O-N 3.45Å; V217-T221 PolarHBondContact O-OG1 2.66Å; Y219-T221 PolarHBondContact O-N 3.23Å; T221-M223 PolarHBondContact O-N 3.31Å; T221-M223 VanDerWaalsContact O-N 3.11Å; T221-C270 WeakPolarHBondContact CA-O 3.47Å; T221-C270 VanDerWaalsContact CB-O 3.28Å; T221-C270 WeakPolarHBondContact CB-O 3.39Å; T221-C270 CarbonylContact O-C 3.43Å; T221-L271 WeakPolarHBondContact O-CA 3.46Å; T221-L271 PolarHBondContact O-N 3.49Å; T221-C273 HydrophobicContact CG2-CB 4.3Å; T221-Y274 WeakPolarHBondContact OG1-CB 3.45Å; T221-Y274 WeakPolarHBondContact OG1-CD2 3.25Å; T221-A277 HydrophobicContact CG2-CB 4.28Å |
| 222 | C | 85.3 | Confident | 81.1 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 18.1 | 179.4 | -43.1 | 0 | 0 | 0 | 0 | 113.8 | C224 L225 L268 C270 | C222-C224 PolarHBondContact O-N 3.49Å; C222-L225 HydrophobicContact CB-CD1 4.17Å; C222-L225 WeakPolarHBondContact O-CB 3.15Å; C222-L225 PolarHBondContact O-N 2.98Å; C222-L225 VanDerWaalsContact O-N 3.12Å; C222-L268 HydrophobicContact CB-CD1 4.21Å; C222-C270 HydrophobicContact CB-CB 4.32Å; C222-C270 WeakPolarHBondContact CB-SG 3.49Å; C222-C270 WeakPolarHBondContact SG-CB 3.28Å; C222-C270 CovalentContact SG-SG 2.07Å; C222-C270 PolarHBondContact SG-SG 2.8Å |
| 223 | M | 82.8 | Confident | 80.6 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 4% | 0.044 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.9 | -28.1 | 179.3 | -159.2 | 67.8 | 164.1 | 0 | 0 | 111.5 | N218 T221 L225 V226 Q227 P246 L271 Y274 | N218-M223 HydrophobicContact CB-CB 4.42Å; N218-M223 PolarHBondContact O-N 3.06Å; T221-M223 PolarHBondContact O-N 3.31Å; T221-M223 VanDerWaalsContact O-N 3.11Å; M223-L225 VanDerWaalsContact C-N 3.27Å; M223-L225 PolarHBondContact O-N 2.76Å; M223-V226 WeakPolarHBondContact O-CB 3.5Å; M223-V226 PolarHBondContact O-N 2.84Å; M223-V226 HydrophobicContact SD-CB 4.44Å; M223-V226 HydrophobicContact SD-CG1 4.43Å; M223-Q227 WeakPolarHBondContact O-CG 3.27Å; M223-Q227 PolarHBondContact O-N 2.74Å; M223-P246 HydrophobicContact CE-CB 4.48Å; M223-P246 HydrophobicContact CE-CG 3.75Å; M223-L271 HydrophobicContact SD-CD2 3.96Å; M223-Y274 HydrophobicContact CB-CD2 3.9Å; M223-Y274 HydrophobicContact CB-CE2 3.95Å; M223-Y274 HydrophobicContact CE-CD1 3.61Å; M223-Y274 HydrophobicContact CE-CE1 3.33Å; M223-Y274 HydrophobicContact CE-CE2 4.39Å; M223-Y274 HydrophobicContact CE-CG 4.27Å; M223-Y274 HydrophobicContact CG-CD2 3.93Å; M223-Y274 HydrophobicContact CG-CE1 4.34Å; M223-Y274 HydrophobicContact CG-CE2 3.68Å; M223-Y274 HydrophobicContact CG-CG 4.31Å; M223-Y274 HydrophobicContact SD-CD1 3.87Å; M223-Y274 HydrophobicContact SD-CD2 4.15Å; M223-Y274 HydrophobicContact SD-CE1 4.04Å; M223-Y274 HydrophobicContact SD-CE2 4.28Å; M223-Y274 HydrophobicContact SD-CG 3.91Å |
| 224 | C | 80.8 | Confident | 79.9 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 27% | 0.27 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.5 | -35.1 | 172.3 | 55.6 | 0 | 0 | 0 | 0 | 113 | N218 Y219 C222 Q227 G228 | N218-C224 PolarHBondContact O-N 2.59Å; Y219-C224 HydrophobicContact CD1-CB 4.27Å; Y219-C224 HydrophobicContact CE1-CB 4.32Å; C222-C224 PolarHBondContact O-N 3.49Å; C224-Q227 PolarHBondContact O-N 3.24Å; C224-G228 PolarHBondContact O-N 3.41Å |
| 225 | L | 81.9 | Confident | 78.8 | Confident | 89 Ų | 89 | 62.1 Ų | 62.1 | 47% | 0.466 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -69.7 | -40.3 | 177.2 | -61.3 | 178.3 | 0 | 0 | 0 | 110.9 | C222 M223 Q227 G228 I229 L268 | C222-L225 HydrophobicContact CB-CD1 4.17Å; C222-L225 WeakPolarHBondContact O-CB 3.15Å; C222-L225 PolarHBondContact O-N 2.98Å; C222-L225 VanDerWaalsContact O-N 3.12Å; M223-L225 VanDerWaalsContact C-N 3.27Å; M223-L225 PolarHBondContact O-N 2.76Å; L225-Q227 VanDerWaalsContact C-N 3.35Å; L225-G228 PolarHBondContact O-N 3.05Å; L225-I229 WeakPolarHBondContact O-CD1 3.41Å; L225-I229 WeakPolarHBondContact O-CG1 3.48Å; L225-I229 PolarHBondContact O-N 3.34Å; L225-L268 HydrophobicContact CD1-CD1 3.89Å |
| 226 | V | 83.5 | Confident | 77.8 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.006 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 173.3 | 160.9 | 0 | 0 | 0 | 0 | 111.2 | M223 I229 F230 P246 M261 L264 L271 | M223-V226 WeakPolarHBondContact O-CB 3.5Å; M223-V226 PolarHBondContact O-N 2.84Å; M223-V226 HydrophobicContact SD-CB 4.44Å; M223-V226 HydrophobicContact SD-CG1 4.43Å; V226-I229 PolarHBondContact O-N 3.13Å; V226-F230 HydrophobicContact CG1-CD2 3.68Å; V226-F230 HydrophobicContact CG1-CE2 3.72Å; V226-F230 VanDerWaalsContact O-CD2 3.25Å; V226-F230 WeakPolarHBondContact O-CD2 3.12Å; V226-F230 PolarHBondContact O-N 3.46Å; V226-P246 HydrophobicContact CG1-CB 3.9Å; V226-M261 HydrophobicContact CB-CE 4.1Å; V226-M261 HydrophobicContact CB-SD 4.39Å; V226-M261 HydrophobicContact CG1-CE 3.44Å; V226-M261 VanDerWaalsContact CG1-CE 3.44Å; V226-M261 HydrophobicContact CG1-SD 3.44Å; V226-M261 WeakPolarHBondContact CG1-SD 3.19Å; V226-M261 HydrophobicContact CG2-CE 3.67Å; V226-M261 HydrophobicContact CG2-SD 4.06Å; V226-L264 HydrophobicContact CG2-CD1 4.07Å; V226-L271 HydrophobicContact CG2-CD1 4.03Å; V226-L271 HydrophobicContact CG2-CD2 3.53Å; V226-L271 HydrophobicContact CG2-CG 4.44Å |
| 227 | Q | 81.6 | Confident | 76.5 | Confident | 69 Ų | 69 | 70.5 Ų | 70.5 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 176.9 | -69.7 | 178.1 | -52.6 | 0 | 0 | 111.5 | M223 C224 L225 F230 Y231 | M223-Q227 WeakPolarHBondContact O-CG 3.27Å; M223-Q227 PolarHBondContact O-N 2.74Å; C224-Q227 PolarHBondContact O-N 3.24Å; L225-Q227 VanDerWaalsContact C-N 3.35Å; Q227-F230 PolarHBondContact O-N 3.03Å; Q227-Y231 VanDerWaalsContact O-CB 3.29Å; Q227-Y231 WeakPolarHBondContact O-CB 3.14Å; Q227-Y231 PolarHBondContact O-N 3.2Å |
| 228 | G | 81.1 | Confident | 75.3 | Confident | 31 Ų | 31 | 75.4 Ų | 75.4 | 32% | 0.32 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C224 L225 Y231 H232 | C224-G228 PolarHBondContact O-N 3.41Å; L225-G228 PolarHBondContact O-N 3.05Å; G228-Y231 WeakPolarHBondContact O-CB 3.41Å; G228-Y231 PolarHBondContact O-N 3.22Å; G228-H232 PolarHBondContact O-CD2 3.05Å; G228-H232 VanDerWaalsContact O-CD2 3.27Å; G228-H232 PolarHBondContact O-N 2.95Å; G228-H232 VanDerWaalsContact O-N 3.1Å |
| 229 | I | 80.2 | Confident | 73.8 | Confident | 54 Ų | 54 | 82.8 Ų | 82.8 | 28% | 0.277 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -69.6 | -43.7 | 177.2 | -61.5 | 159.1 | 0 | 0 | 0 | 110.4 | L225 V226 Y231 H232 C233 F260 L264 | L225-I229 WeakPolarHBondContact O-CD1 3.41Å; L225-I229 WeakPolarHBondContact O-CG1 3.48Å; L225-I229 PolarHBondContact O-N 3.34Å; V226-I229 PolarHBondContact O-N 3.13Å; I229-Y231 VanDerWaalsContact C-N 3.27Å; I229-Y231 PolarHBondContact O-N 3.42Å; I229-H232 PolarHBondContact O-N 3.29Å; I229-C233 WeakPolarHBondContact O-CB 3.46Å; I229-C233 PolarHBondContact O-N 3.5Å; I229-C233 PolarHBondContact O-SG 2.96Å; I229-F260 HydrophobicContact CB-CE1 4.4Å; I229-F260 HydrophobicContact CB-CZ 4.48Å; I229-F260 HydrophobicContact CD1-CZ 4.47Å; I229-F260 HydrophobicContact CG2-CE1 3.7Å; I229-F260 HydrophobicContact CG2-CZ 3.52Å; I229-L264 HydrophobicContact CD1-CD1 3.97Å; I229-L264 HydrophobicContact CD1-CD2 4.19Å |
| 230 | F | 77.9 | Confident | 72.5 | Confident | 13 Ų | 13 | 77 Ų | 77 | 6% | 0.057 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.1 | -36.4 | 174.8 | -82.2 | -59.6 | 0 | 0 | 0 | 112.5 | V226 Q227 H232 C233 T234 C242 P246 R257 F260 M261 | V226-F230 HydrophobicContact CG1-CD2 3.68Å; V226-F230 HydrophobicContact CG1-CE2 3.72Å; V226-F230 VanDerWaalsContact O-CD2 3.25Å; V226-F230 WeakPolarHBondContact O-CD2 3.12Å; V226-F230 PolarHBondContact O-N 3.46Å; Q227-F230 PolarHBondContact O-N 3.03Å; F230-H232 VanDerWaalsContact C-N 3.32Å; F230-H232 PolarHBondContact O-N 3.35Å; F230-C233 PolarHBondContact O-N 2.91Å; F230-T234 WeakPolarHBondContact O-CG2 3Å; F230-T234 PolarHBondContact O-N 3.32Å; F230-T234 PolarHBondContact O-OG1 3.24Å; F230-T234 VanDerWaalsContact O-OG1 3.1Å; F230-C242 WeakPolarHBondContact CD1-SG 3.32Å; F230-P246 HydrophobicContact CD2-CB 3.96Å; F230-P246 HydrophobicContact CE2-CB 3.81Å; F230-R257 HydrophobicContact CE1-CG 4.21Å; F230-R257 HydrophobicContact CZ-CB 4.44Å; F230-F260 HydrophobicContact CE1-CD1 4.29Å; F230-F260 HydrophobicContact CZ-CD1 4.13Å; F230-M261 HydrophobicContact CD2-CE 4.17Å; F230-M261 HydrophobicContact CE2-CE 3.24Å; F230-M261 HydrophobicContact CE2-CG 4.25Å; F230-M261 HydrophobicContact CE2-SD 3.62Å; F230-M261 HydrophobicContact CZ-CE 3.65Å; F230-M261 HydrophobicContact CZ-CG 4.23Å; F230-M261 HydrophobicContact CZ-SD 4.17Å |
| 231 | Y | 75.6 | Confident | 71.4 | Confident | 162 Ų | 162 | 78.2 Ų | 78.2 | 64% | 0.635 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.3 | -37.5 | 174.9 | -177.3 | -100.7 | 0 | 0 | 0 | 112.7 | Q227 G228 I229 T234 | Q227-Y231 VanDerWaalsContact O-CB 3.29Å; Q227-Y231 WeakPolarHBondContact O-CB 3.14Å; Q227-Y231 PolarHBondContact O-N 3.2Å; G228-Y231 WeakPolarHBondContact O-CB 3.41Å; G228-Y231 PolarHBondContact O-N 3.22Å; I229-Y231 VanDerWaalsContact C-N 3.27Å; I229-Y231 PolarHBondContact O-N 3.42Å; Y231-T234 PolarHBondContact O-OG1 3.17Å |
| 232 | H | 74.8 | Confident | 69.9 | Low | 157 Ų | 157 | 78.8 Ų | 78.8 | 73% | 0.727 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -85.7 | -18.6 | 176.6 | -76.9 | -61 | 0 | 0 | 0 | 114.5 | G228 I229 F230 | G228-H232 PolarHBondContact O-CD2 3.05Å; G228-H232 VanDerWaalsContact O-CD2 3.27Å; G228-H232 PolarHBondContact O-N 2.95Å; G228-H232 VanDerWaalsContact O-N 3.1Å; I229-H232 PolarHBondContact O-N 3.29Å; F230-H232 VanDerWaalsContact C-N 3.32Å; F230-H232 PolarHBondContact O-N 3.35Å |
| 233 | C | 68.1 | Low | 68.5 | Low | 85 Ų | 85 | 78.3 Ų | 78.3 | 57% | 0.574 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -97.4 | -14.1 | -178.7 | -69.9 | 0 | 0 | 0 | 0 | 113.8 | I229 F230 N235 | I229-C233 WeakPolarHBondContact O-CB 3.46Å; I229-C233 PolarHBondContact O-N 3.5Å; I229-C233 PolarHBondContact O-SG 2.96Å; F230-C233 PolarHBondContact O-N 2.91Å; C233-N235 PolarHBondContact O-N 3.47Å |
| 234 | T | 66.9 | Low | 67.3 | Low | 28 Ų | 28 | 83.4 Ų | 83.4 | 17% | 0.172 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -71.5 | 116.5 | 162.6 | 43.5 | 0 | 0 | 0 | 0 | 108.1 | F230 Y231 C242 | F230-T234 WeakPolarHBondContact O-CG2 3Å; F230-T234 PolarHBondContact O-N 3.32Å; F230-T234 PolarHBondContact O-OG1 3.24Å; F230-T234 VanDerWaalsContact O-OG1 3.1Å; Y231-T234 PolarHBondContact O-OG1 3.17Å; T234-C242 HydrophobicContact CG2-CB 3.42Å; T234-C242 VanDerWaalsContact CG2-CB 3.42Å |
| 235 | N | 54.6 | Low | 66.3 | Low | 121 Ų | 121 | 87.2 Ų | 87.2 | 65% | 0.647 | 46% | 0.462 | S | S | * | . | trans | -57.3 | 149 | 167.3 | -70.1 | -49 | 0 | 0 | 0 | 108.7 | C233 D237 D238 | C233-N235 PolarHBondContact O-N 3.47Å; N235-D237 PolarHBondContact O-N 2.85Å; N235-D238 PolarHBondContact O-N 3.47Å | ||
| 236 | E | 58.3 | Low | 65.2 | Low | 183 Ų | 183 | 83.7 Ų | 83.7 | 86% | 0.855 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -15.3 | -178.8 | -55.4 | -86.3 | 115.6 | 0 | 0 | 113.5 | ||
| 237 | D | 56.2 | Low | 64 | Low | 153 Ų | 153 | 86.9 Ų | 86.9 | 82% | 0.818 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -16.8 | 178.5 | -61.4 | -53.4 | 0 | 0 | 0 | 115 | N235 | N235-D237 PolarHBondContact O-N 2.85Š|
| 238 | D | 58.8 | Low | 63 | Low | 120 Ų | 120 | 85.9 Ų | 85.9 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -110.6 | 62.1 | 176.1 | -78.5 | -54.3 | 0 | 0 | 0 | 109.8 | N235 G240 | N235-D238 PolarHBondContact O-N 3.47Å; D238-G240 PolarHBondContact O-N 3.49Å |
| 239 | E | 51.9 | Low | 61.8 | Low | 182 Ų | 182 | 88.5 Ų | 88.5 | 85% | 0.85 | 48% | 0.479 | S | S | * | . | trans | -51.9 | 111 | -176.5 | -79.7 | -177.8 | 80.2 | 0 | 0 | 112.9 | S241 | E239-S241 VanDerWaalsContact C-N 3.33Å; E239-S241 PolarHBondContact O-N 3.12Å | ||
| 240 | G | 53.3 | Low | 60.7 | Low | 35 Ų | 35 | 89 Ų | 89 | 36% | 0.361 | 49% | 0.488 | S | S | . | . | S | Bend | trans | 80.6 | -29.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | D238 C242 A243 D244 | D238-G240 PolarHBondContact O-N 3.49Å; G240-C242 VanDerWaalsContact C-N 3.3Å; G240-C242 PolarHBondContact O-N 3.06Å; G240-C242 VanDerWaalsContact O-N 3.16Å; G240-A243 PolarHBondContact O-N 3.28Å; G240-D244 PolarHBondContact O-N 3.19Å |
| 241 | S | 59.1 | Low | 59.8 | Low | 79 Ų | 79 | 100.1 Ų | 100.1 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.9 | -28.2 | -167.6 | -165 | 0 | 0 | 0 | 0 | 114.7 | E239 | E239-S241 VanDerWaalsContact C-N 3.33Å; E239-S241 PolarHBondContact O-N 3.12Å |
| 242 | C | 55.4 | Low | 58.9 | Low | 20 Ų | 20 | 96.4 Ų | 96.4 | 14% | 0.135 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -81.6 | -34.8 | -177.5 | -171.1 | 0 | 0 | 0 | 0 | 113.3 | F230 T234 G240 H245 R257 | F230-C242 WeakPolarHBondContact CD1-SG 3.32Å; T234-C242 HydrophobicContact CG2-CB 3.42Å; T234-C242 VanDerWaalsContact CG2-CB 3.42Å; G240-C242 VanDerWaalsContact C-N 3.3Å; G240-C242 PolarHBondContact O-N 3.06Å; G240-C242 VanDerWaalsContact O-N 3.16Å; C242-H245 CarbonylContact O-C 3.52Å; C242-R257 PolarHBondContact O-NH2 3.37Å; C242-R257 VanDerWaalsContact O-NH2 3.08Å; C242-R257 PolarHBondContact SG-NE 3.02Å; C242-R257 PolarHBondContact SG-NH2 3.17Å |
| 243 | A | 55.2 | Low | 58.3 | Low | 13 Ų | 13 | 94.5 Ų | 94.5 | 11% | 0.107 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -76.3 | -35.3 | -175 | 0 | 0 | 0 | 0 | 0 | 112.4 | G240 | G240-A243 PolarHBondContact O-N 3.28Å |
| 244 | D | 58.1 | Low | 58.4 | Low | 117 Ų | 117 | 92.3 Ų | 92.3 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -74.1 | -27.6 | -179.9 | -69.5 | -38.6 | 0 | 0 | 0 | 112.9 | G240 | G240-D244 PolarHBondContact O-N 3.19Å |
| 245 | H | 60 | Low | 58.6 | Low | 119 Ų | 119 | 95.8 Ų | 95.8 | 55% | 0.551 | 53% | 0.532 | S | S | * | . | trans | -132.8 | 74.4 | -179.9 | -59.7 | -35.5 | 0 | 0 | 0 | 112.2 | C242 C247 S248 R257 | C242-H245 CarbonylContact O-C 3.52Å; H245-C247 PolarHBondContact O-N 3.38Å; H245-S248 PolarHBondContact O-N 2.76Å; H245-S248 VanDerWaalsContact O-N 3.1Å; H245-R257 PolarHBondContact O-NH2 3.24Å | ||
| 246 | P | 58.7 | Low | 59.6 | Low | 16 Ų | 16 | 92.9 Ų | 92.9 | 10% | 0.104 | 52% | 0.524 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -19.7 | -179.8 | 25.1 | -34.9 | 0 | 0 | 0 | 113.1 | M223 V226 F230 | M223-P246 HydrophobicContact CE-CB 4.48Å; M223-P246 HydrophobicContact CE-CG 3.75Å; V226-P246 HydrophobicContact CG1-CB 3.9Å; F230-P246 HydrophobicContact CD2-CB 3.96Å; F230-P246 HydrophobicContact CE2-CB 3.81Å |
| 247 | C | 59.2 | Low | 60.5 | Low | 67 Ų | 67 | 85.7 Ų | 85.7 | 45% | 0.453 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 9.6 | -179.7 | -52 | 0 | 0 | 0 | 0 | 114.6 | H245 | H245-C247 PolarHBondContact O-N 3.38Š|
| 248 | S | 59.4 | Low | 61.6 | Low | 49 Ų | 49 | 84.4 Ų | 84.4 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | trans | -84.1 | 140.4 | -176.5 | -168.1 | 0 | 0 | 0 | 0 | 113.3 | H245 | H245-S248 PolarHBondContact O-N 2.76Å; H245-S248 VanDerWaalsContact O-N 3.1Å | ||
| 249 | C | 56.3 | Low | 62.7 | Low | 85 Ų | 85 | 82.6 Ų | 82.6 | 57% | 0.574 | 47% | 0.47 | S | S | * | . | trans | -97.1 | 36.8 | -176.8 | -65.9 | 0 | 0 | 0 | 0 | 114 | R251 | C249-R251 PolarHBondContact O-N 2.98Š| ||
| 250 | S | 56.2 | Low | 64.1 | Low | 65 Ų | 65 | 77.5 Ų | 77.5 | 46% | 0.455 | 45% | 0.445 | S | S | . | . | trans | -83.9 | 100 | -176 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | S252 | S250-S252 PolarHBondContact O-N 3.25Š| ||
| 251 | R | 58.8 | Low | 65.3 | Low | 247 Ų | 247 | 77.2 Ų | 77.2 | 93% | 0.932 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 31.2 | 28.9 | 144.9 | -84.6 | -176.3 | 70.6 | -179.3 | 1.5 | 123.4 | C249 | C249-R251 PolarHBondContact O-N 2.98Š|
| 252 | S | 58.3 | Low | 66.4 | Low | 84 Ų | 84 | 75 Ų | 75 | 59% | 0.587 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -167.6 | 134.2 | 144.4 | 46.1 | 0 | 0 | 0 | 0 | 106.5 | S250 C254 | S250-S252 PolarHBondContact O-N 3.25Å; S252-C254 PolarHBondContact O-N 3Å |
| 253 | N | 61.9 | Low | 67.8 | Low | 116 Ų | 116 | 76.6 Ų | 76.6 | 62% | 0.62 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 71 | 18.4 | -178.4 | -44.9 | -50.6 | 0 | 0 | 0 | 117 | C255 A256 R257 | N253-C255 PolarHBondContact O-N 3.01Å; N253-A256 HydrophobicContact CB-CB 4.42Å; N253-A256 PolarHBondContact O-N 3.13Å; N253-R257 WeakPolarHBondContact O-CG 3.33Å; N253-R257 PolarHBondContact O-N 3.1Å |
| 254 | C | 69.1 | Low | 69.1 | Low | 39 Ų | 39 | 77.1 Ų | 77.1 | 26% | 0.264 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -53 | -54.1 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | S252 A256 R257 W258 | S252-C254 PolarHBondContact O-N 3Å; C254-A256 VanDerWaalsContact C-N 3.32Å; C254-A256 PolarHBondContact O-N 2.63Å; C254-R257 PolarHBondContact O-N 3.43Å; C254-W258 PolarHBondContact O-N 3.2Å; C254-W258 PolarHBondContact SG-NE1 3.25Å; C254-W258 VanDerWaalsContact SG-NE1 3.37Å |
| 255 | C | 71.3 | Confident | 70.3 | Confident | 102 Ų | 102 | 72.9 Ų | 72.9 | 69% | 0.689 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -60 | -38.7 | -179.3 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | N253 S259 | N253-C255 PolarHBondContact O-N 3.01Å; C255-S259 VanDerWaalsContact O-CB 3.24Å; C255-S259 WeakPolarHBondContact O-CB 3.05Å; C255-S259 PolarHBondContact O-N 2.8Å; C255-S259 PolarHBondContact O-OG 2.77Å |
| 256 | A | 76 | Confident | 71.4 | Confident | 60 Ų | 60 | 73 Ų | 73 | 50% | 0.496 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | N253 C254 S259 F260 | N253-A256 HydrophobicContact CB-CB 4.42Å; N253-A256 PolarHBondContact O-N 3.13Å; C254-A256 VanDerWaalsContact C-N 3.32Å; C254-A256 PolarHBondContact O-N 2.63Å; A256-S259 PolarHBondContact O-N 2.82Å; A256-F260 VanDerWaalsContact O-CB 3.3Å; A256-F260 WeakPolarHBondContact O-CB 3.29Å; A256-F260 PolarHBondContact O-N 2.07Å |
| 257 | R | 76.9 | Confident | 72.5 | Confident | 31 Ų | 31 | 77.6 Ų | 77.6 | 12% | 0.117 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | 176.4 | -67.9 | 174.9 | 71.4 | 176.5 | 1.8 | 111.7 | F230 C242 H245 N253 C254 F260 M261 | F230-R257 HydrophobicContact CE1-CG 4.21Å; F230-R257 HydrophobicContact CZ-CB 4.44Å; C242-R257 PolarHBondContact O-NH2 3.37Å; C242-R257 VanDerWaalsContact O-NH2 3.08Å; C242-R257 PolarHBondContact SG-NE 3.02Å; C242-R257 PolarHBondContact SG-NH2 3.17Å; H245-R257 PolarHBondContact O-NH2 3.24Å; N253-R257 WeakPolarHBondContact O-CG 3.33Å; N253-R257 PolarHBondContact O-N 3.1Å; C254-R257 PolarHBondContact O-N 3.43Å; R257-F260 PolarHBondContact O-N 3.11Å; R257-M261 WeakPolarHBondContact O-CB 3.44Å; R257-M261 VanDerWaalsContact O-CG 3.24Å; R257-M261 WeakPolarHBondContact O-CG 3.07Å; R257-M261 PolarHBondContact O-N 3.4Å |
| 258 | W | 80.8 | Confident | 73.6 | Confident | 126 Ų | 126 | 76.4 Ų | 76.4 | 48% | 0.477 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -67.2 | -36.5 | 176.4 | -73.1 | 103.6 | 0 | 0 | 0 | 112.6 | C254 M261 G262 | C254-W258 PolarHBondContact O-N 3.2Å; C254-W258 PolarHBondContact SG-NE1 3.25Å; C254-W258 VanDerWaalsContact SG-NE1 3.37Å; W258-M261 PolarHBondContact O-N 3.06Å; W258-G262 PolarHBondContact O-N 3.2Å |
| 259 | S | 80.2 | Confident | 74.6 | Confident | 83 Ų | 83 | 78.2 Ų | 78.2 | 58% | 0.58 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -67.2 | -40.1 | 175.4 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | C255 A256 G262 A263 | C255-S259 VanDerWaalsContact O-CB 3.24Å; C255-S259 WeakPolarHBondContact O-CB 3.05Å; C255-S259 PolarHBondContact O-N 2.8Å; C255-S259 PolarHBondContact O-OG 2.77Å; A256-S259 PolarHBondContact O-N 2.82Å; S259-G262 PolarHBondContact O-N 2.96Å; S259-A263 WeakPolarHBondContact O-CB 3.42Å; S259-A263 PolarHBondContact O-N 3.24Å |
| 260 | F | 81.6 | Confident | 75.9 | Confident | 75 Ų | 75 | 75.6 Ų | 75.6 | 33% | 0.329 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 175 | -175.3 | -109.2 | 0 | 0 | 0 | 112 | I229 F230 A256 R257 G262 A263 L264 | I229-F260 HydrophobicContact CB-CE1 4.4Å; I229-F260 HydrophobicContact CB-CZ 4.48Å; I229-F260 HydrophobicContact CD1-CZ 4.47Å; I229-F260 HydrophobicContact CG2-CE1 3.7Å; I229-F260 HydrophobicContact CG2-CZ 3.52Å; F230-F260 HydrophobicContact CE1-CD1 4.29Å; F230-F260 HydrophobicContact CZ-CD1 4.13Å; A256-F260 VanDerWaalsContact O-CB 3.3Å; A256-F260 WeakPolarHBondContact O-CB 3.29Å; A256-F260 PolarHBondContact O-N 2.07Å; R257-F260 PolarHBondContact O-N 3.11Å; F260-G262 VanDerWaalsContact C-N 3.31Å; F260-G262 PolarHBondContact O-N 3.11Å; F260-A263 PolarHBondContact O-N 3.25Å; F260-L264 HydrophobicContact CD1-CD1 3.88Å; F260-L264 HydrophobicContact CE1-CD1 3.3Å; F260-L264 HydrophobicContact CE1-CG 4.19Å; F260-L264 HydrophobicContact CE2-CD1 4.34Å; F260-L264 HydrophobicContact CE2-CG 4.42Å; F260-L264 HydrophobicContact CZ-CD1 3.55Å; F260-L264 HydrophobicContact CZ-CD2 4.41Å; F260-L264 HydrophobicContact CZ-CG 4.06Å; F260-L264 WeakPolarHBondContact O-CG 3.5Å; F260-L264 PolarHBondContact O-N 3.33Å |
| 261 | M | 79.9 | Confident | 77.1 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 14% | 0.143 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60.3 | -41.1 | 171 | -70.3 | -67 | 85.5 | 0 | 0 | 112.1 | V226 F230 R257 W258 L264 S265 | V226-M261 HydrophobicContact CB-CE 4.1Å; V226-M261 HydrophobicContact CB-SD 4.39Å; V226-M261 HydrophobicContact CG1-CE 3.44Å; V226-M261 VanDerWaalsContact CG1-CE 3.44Å; V226-M261 HydrophobicContact CG1-SD 3.44Å; V226-M261 WeakPolarHBondContact CG1-SD 3.19Å; V226-M261 HydrophobicContact CG2-CE 3.67Å; V226-M261 HydrophobicContact CG2-SD 4.06Å; F230-M261 HydrophobicContact CD2-CE 4.17Å; F230-M261 HydrophobicContact CE2-CE 3.24Å; F230-M261 HydrophobicContact CE2-CG 4.25Å; F230-M261 HydrophobicContact CE2-SD 3.62Å; F230-M261 HydrophobicContact CZ-CE 3.65Å; F230-M261 HydrophobicContact CZ-CG 4.23Å; F230-M261 HydrophobicContact CZ-SD 4.17Å; R257-M261 WeakPolarHBondContact O-CB 3.44Å; R257-M261 VanDerWaalsContact O-CG 3.24Å; R257-M261 WeakPolarHBondContact O-CG 3.07Å; R257-M261 PolarHBondContact O-N 3.4Å; W258-M261 PolarHBondContact O-N 3.06Å; M261-L264 HydrophobicContact CE-CD1 3.66Å; M261-L264 PolarHBondContact O-N 3.36Å; M261-S265 WeakPolarHBondContact O-CB 3.47Å; M261-S265 PolarHBondContact O-N 3.28Å |
| 262 | G | 82.3 | Confident | 78.1 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 32% | 0.32 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | W258 S259 F260 L264 S265 V266 | W258-G262 PolarHBondContact O-N 3.2Å; S259-G262 PolarHBondContact O-N 2.96Å; F260-G262 VanDerWaalsContact C-N 3.31Å; F260-G262 PolarHBondContact O-N 3.11Å; G262-L264 PolarHBondContact O-N 3.14Å; G262-S265 WeakPolarHBondContact O-CB 3.32Å; G262-S265 PolarHBondContact O-N 3.35Å; G262-S265 VanDerWaalsContact O-N 3.14Å; G262-S265 PolarHBondContact O-OG 2.93Å; G262-V266 PolarHBondContact O-N 3.12Å |
| 263 | A | 84.4 | Confident | 79.3 | Confident | 55 Ų | 55 | 66.2 Ų | 66.2 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S259 F260 S265 V266 V267 | S259-A263 WeakPolarHBondContact O-CB 3.42Å; S259-A263 PolarHBondContact O-N 3.24Å; F260-A263 PolarHBondContact O-N 3.25Å; A263-S265 VanDerWaalsContact C-N 3.27Å; A263-S265 PolarHBondContact O-N 3.14Å; A263-V266 WeakPolarHBondContact O-CB 3.43Å; A263-V266 PolarHBondContact O-N 3.35Å; A263-V266 VanDerWaalsContact O-N 3.14Å; A263-V267 PolarHBondContact O-N 3.38Å |
| 264 | L | 81.6 | Confident | 80.4 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 13% | 0.126 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.8 | -33.4 | 175.3 | -73.4 | 175.7 | 0 | 0 | 0 | 112.1 | V226 I229 F260 M261 G262 V266 V267 L268 L271 | V226-L264 HydrophobicContact CG2-CD1 4.07Å; I229-L264 HydrophobicContact CD1-CD1 3.97Å; I229-L264 HydrophobicContact CD1-CD2 4.19Å; F260-L264 HydrophobicContact CD1-CD1 3.88Å; F260-L264 HydrophobicContact CE1-CD1 3.3Å; F260-L264 HydrophobicContact CE1-CG 4.19Å; F260-L264 HydrophobicContact CE2-CD1 4.34Å; F260-L264 HydrophobicContact CE2-CG 4.42Å; F260-L264 HydrophobicContact CZ-CD1 3.55Å; F260-L264 HydrophobicContact CZ-CD2 4.41Å; F260-L264 HydrophobicContact CZ-CG 4.06Å; F260-L264 WeakPolarHBondContact O-CG 3.5Å; F260-L264 PolarHBondContact O-N 3.33Å; M261-L264 HydrophobicContact CE-CD1 3.66Å; M261-L264 PolarHBondContact O-N 3.36Å; G262-L264 PolarHBondContact O-N 3.14Å; L264-V266 VanDerWaalsContact C-N 3.27Å; L264-V266 PolarHBondContact O-N 3.24Å; L264-V267 PolarHBondContact O-N 3Å; L264-L268 WeakPolarHBondContact O-CA 3.45Å; L264-L268 WeakPolarHBondContact O-CB 3.21Å; L264-L268 PolarHBondContact O-N 3.49Å; L264-L271 HydrophobicContact CB-CD1 3.86Å |
| 265 | S | 84.1 | Confident | 81.1 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.7 | -25.7 | 175.8 | 78.6 | 0 | 0 | 0 | 0 | 114 | M261 G262 A263 L268 | M261-S265 WeakPolarHBondContact O-CB 3.47Å; M261-S265 PolarHBondContact O-N 3.28Å; G262-S265 WeakPolarHBondContact O-CB 3.32Å; G262-S265 PolarHBondContact O-N 3.35Å; G262-S265 VanDerWaalsContact O-N 3.14Å; G262-S265 PolarHBondContact O-OG 2.93Å; A263-S265 VanDerWaalsContact C-N 3.27Å; A263-S265 PolarHBondContact O-N 3.14Å; S265-L268 CarbonylContact O-C 3.42Å |
| 266 | V | 82.4 | Confident | 81.7 | Confident | 122 Ų | 122 | 65.5 Ų | 65.5 | 74% | 0.739 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -74.2 | -38.8 | 174.2 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | G262 A263 L264 | G262-V266 PolarHBondContact O-N 3.12Å; A263-V266 WeakPolarHBondContact O-CB 3.43Å; A263-V266 PolarHBondContact O-N 3.35Å; A263-V266 VanDerWaalsContact O-N 3.14Å; L264-V266 VanDerWaalsContact C-N 3.27Å; L264-V266 PolarHBondContact O-N 3.24Å |
| 267 | V | 82.3 | Confident | 82.1 | Confident | 111 Ų | 111 | 64 Ų | 64 | 67% | 0.673 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -78.2 | -34.4 | 178.7 | -178.2 | 0 | 0 | 0 | 0 | 111.6 | A263 L264 | A263-V267 PolarHBondContact O-N 3.38Å; L264-V267 PolarHBondContact O-N 3Å |
| 268 | L | 81.3 | Confident | 82.5 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 22% | 0.22 | 37% | 0.372 | C | S | . | . | trans | -125.7 | 82.9 | -176.1 | -68.1 | 172.8 | 0 | 0 | 0 | 109.3 | C222 L225 L264 S265 C270 L271 | C222-L268 HydrophobicContact CB-CD1 4.21Å; L225-L268 HydrophobicContact CD1-CD1 3.89Å; L264-L268 WeakPolarHBondContact O-CA 3.45Å; L264-L268 WeakPolarHBondContact O-CB 3.21Å; L264-L268 PolarHBondContact O-N 3.49Å; S265-L268 CarbonylContact O-C 3.42Å; L268-C270 PolarHBondContact O-N 2.82Å; L268-L271 HydrophobicContact CB-CD1 3.8Å; L268-L271 HydrophobicContact CB-CG 4.31Å; L268-L271 HydrophobicContact CD1-CD1 4.31Å; L268-L271 WeakPolarHBondContact O-CB 3.3Å; L268-L271 PolarHBondContact O-N 3.46Å | ||
| 269 | P | 81.8 | Confident | 82.6 | Confident | 88 Ų | 88 | 59.1 Ų | 59.1 | 57% | 0.571 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -62.3 | -17.1 | -179.3 | 25.4 | -34.8 | 0 | 0 | 0 | 113.1 | L271 L272 | P269-L271 PolarHBondContact O-N 3.45Å; P269-L272 PolarHBondContact O-N 2.93Å |
| 270 | C | 83.9 | Confident | 82.8 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 20% | 0.203 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -54.9 | -29.5 | 170.3 | 48.2 | 0 | 0 | 0 | 0 | 113 | T221 C222 L268 L272 C273 | T221-C270 WeakPolarHBondContact CA-O 3.47Å; T221-C270 VanDerWaalsContact CB-O 3.28Å; T221-C270 WeakPolarHBondContact CB-O 3.39Å; T221-C270 CarbonylContact O-C 3.43Å; C222-C270 HydrophobicContact CB-CB 4.32Å; C222-C270 WeakPolarHBondContact CB-SG 3.49Å; C222-C270 WeakPolarHBondContact SG-CB 3.28Å; C222-C270 CovalentContact SG-SG 2.07Å; C222-C270 PolarHBondContact SG-SG 2.8Å; L268-C270 PolarHBondContact O-N 2.82Å; C270-L272 VanDerWaalsContact C-N 3.32Å; C270-L272 PolarHBondContact O-N 3.32Å; C270-C273 WeakPolarHBondContact O-CA 3.49Å; C270-C273 VanDerWaalsContact O-CB 3.29Å; C270-C273 WeakPolarHBondContact O-CB 3.41Å; C270-C273 PolarHBondContact O-N 3.3Å |
| 271 | L | 80.8 | Confident | 83 | Confident | 19 Ų | 19 | 57 Ų | 57 | 10% | 0.099 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -65.5 | -33.9 | 179.3 | -77.5 | 159.9 | 0 | 0 | 0 | 112.8 | T221 M223 V226 L264 L268 P269 C273 Y274 | T221-L271 WeakPolarHBondContact O-CA 3.46Å; T221-L271 PolarHBondContact O-N 3.49Å; M223-L271 HydrophobicContact SD-CD2 3.96Å; V226-L271 HydrophobicContact CG2-CD1 4.03Å; V226-L271 HydrophobicContact CG2-CD2 3.53Å; V226-L271 HydrophobicContact CG2-CG 4.44Å; L264-L271 HydrophobicContact CB-CD1 3.86Å; L268-L271 HydrophobicContact CB-CD1 3.8Å; L268-L271 HydrophobicContact CB-CG 4.31Å; L268-L271 HydrophobicContact CD1-CD1 4.31Å; L268-L271 WeakPolarHBondContact O-CB 3.3Å; L268-L271 PolarHBondContact O-N 3.46Å; P269-L271 PolarHBondContact O-N 3.45Å; L271-C273 PolarHBondContact O-N 3.47Å; L271-Y274 WeakPolarHBondContact O-CB 3.39Å; L271-Y274 PolarHBondContact O-N 2.86Å |
| 272 | L | 79.3 | Confident | 83.2 | Confident | 110 Ų | 110 | 61.9 Ų | 61.9 | 58% | 0.576 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -64.5 | -26.2 | 175.1 | -62.1 | 177.5 | 0 | 0 | 0 | 111.5 | P269 C270 Y274 P276 | P269-L272 PolarHBondContact O-N 2.93Å; C270-L272 VanDerWaalsContact C-N 3.32Å; C270-L272 PolarHBondContact O-N 3.32Å; L272-Y274 VanDerWaalsContact C-N 3.29Å; L272-Y274 PolarHBondContact O-N 2.9Å; L272-P276 WeakPolarHBondContact O-CD 3.48Å |
| 273 | C | 84.6 | Confident | 83.3 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 47% | 0.473 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -77.8 | -11.6 | 175.6 | -59 | 0 | 0 | 0 | 0 | 113 | T221 C270 L271 P276 A277 | T221-C273 HydrophobicContact CG2-CB 4.3Å; C270-C273 WeakPolarHBondContact O-CA 3.49Å; C270-C273 VanDerWaalsContact O-CB 3.29Å; C270-C273 WeakPolarHBondContact O-CB 3.41Å; C270-C273 PolarHBondContact O-N 3.3Å; L271-C273 PolarHBondContact O-N 3.47Å; C273-P276 VanDerWaalsContact O-CD 3.32Å; C273-P276 WeakPolarHBondContact O-CD 3.44Å; C273-P276 WeakPolarHBondContact O-CG 3.16Å; C273-A277 WeakPolarHBondContact O-CB 3.2Å; C273-A277 PolarHBondContact O-N 3.3Å |
| 274 | Y | 84.3 | Confident | 83.1 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 16% | 0.161 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 176.7 | -179.9 | -108 | 0 | 0 | 0 | 112.9 | V217 T221 M223 L271 L272 A277 T278 | V217-Y274 HydrophobicContact CG1-CD2 3.63Å; V217-Y274 HydrophobicContact CG1-CE2 3.82Å; T221-Y274 WeakPolarHBondContact OG1-CB 3.45Å; T221-Y274 WeakPolarHBondContact OG1-CD2 3.25Å; M223-Y274 HydrophobicContact CB-CD2 3.9Å; M223-Y274 HydrophobicContact CB-CE2 3.95Å; M223-Y274 HydrophobicContact CE-CD1 3.61Å; M223-Y274 HydrophobicContact CE-CE1 3.33Å; M223-Y274 HydrophobicContact CE-CE2 4.39Å; M223-Y274 HydrophobicContact CE-CG 4.27Å; M223-Y274 HydrophobicContact CG-CD2 3.93Å; M223-Y274 HydrophobicContact CG-CE1 4.34Å; M223-Y274 HydrophobicContact CG-CE2 3.68Å; M223-Y274 HydrophobicContact CG-CG 4.31Å; M223-Y274 HydrophobicContact SD-CD1 3.87Å; M223-Y274 HydrophobicContact SD-CD2 4.15Å; M223-Y274 HydrophobicContact SD-CE1 4.04Å; M223-Y274 HydrophobicContact SD-CE2 4.28Å; M223-Y274 HydrophobicContact SD-CG 3.91Å; L271-Y274 WeakPolarHBondContact O-CB 3.39Å; L271-Y274 PolarHBondContact O-N 2.86Å; L272-Y274 VanDerWaalsContact C-N 3.29Å; L272-Y274 PolarHBondContact O-N 2.9Å; Y274-A277 PolarHBondContact O-N 3.22Å; Y274-T278 WeakPolarHBondContact CE2-OG1 3.33Å; Y274-T278 WeakPolarHBondContact O-CB 3.44Å; Y274-T278 PolarHBondContact O-N 3.39Å; Y274-T278 PolarHBondContact O-OG1 2.69Å |
| 275 | L | 82.9 | Confident | 83.2 | Confident | 125 Ų | 125 | 67 Ų | 67 | 65% | 0.654 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.7 | -53.2 | 179.9 | -62.9 | 175.3 | 0 | 0 | 0 | 112.4 | G279 | L275-G279 PolarHBondContact O-N 2.86Å |
| 276 | P | 85.2 | Confident | 83 | Confident | 75 Ų | 75 | 73.6 Ų | 73.6 | 49% | 0.487 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 177.1 | 25.9 | -33.5 | 0 | 0 | 0 | 111.8 | L272 C273 T278 G279 C280 | L272-P276 WeakPolarHBondContact O-CD 3.48Å; C273-P276 VanDerWaalsContact O-CD 3.32Å; C273-P276 WeakPolarHBondContact O-CD 3.44Å; C273-P276 WeakPolarHBondContact O-CG 3.16Å; P276-T278 PolarHBondContact O-N 3.35Å; P276-G279 CarbonylContact O-C 3.59Å; P276-G279 WeakPolarHBondContact O-CA 3.46Å; P276-G279 PolarHBondContact O-N 2.96Å; P276-C280 WeakPolarHBondContact O-CB 3.4Å; P276-C280 PolarHBondContact O-N 3.27Å; P276-C280 PolarHBondContact O-SG 3.01Å |
| 277 | A | 83.8 | Confident | 82.8 | Confident | 29 Ų | 29 | 69.1 Ų | 69.1 | 24% | 0.24 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V217 T221 C273 Y274 G279 C280 V281 | V217-A277 HydrophobicContact CG1-CB 3.96Å; V217-A277 HydrophobicContact CG2-CB 4.03Å; T221-A277 HydrophobicContact CG2-CB 4.28Å; C273-A277 WeakPolarHBondContact O-CB 3.2Å; C273-A277 PolarHBondContact O-N 3.3Å; Y274-A277 PolarHBondContact O-N 3.22Å; A277-G279 VanDerWaalsContact C-N 3.31Å; A277-G279 PolarHBondContact O-N 3.08Å; A277-C280 WeakPolarHBondContact O-CB 3.11Å; A277-C280 PolarHBondContact O-N 2.88Å; A277-V281 WeakPolarHBondContact O-CG2 3.48Å; A277-V281 PolarHBondContact O-N 3.43Å |
| 278 | T | 84.3 | Confident | 82.7 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 10% | 0.098 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 174.5 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | Y274 P276 V281 K282 | Y274-T278 WeakPolarHBondContact CE2-OG1 3.33Å; Y274-T278 WeakPolarHBondContact O-CB 3.44Å; Y274-T278 PolarHBondContact O-N 3.39Å; Y274-T278 PolarHBondContact O-OG1 2.69Å; P276-T278 PolarHBondContact O-N 3.35Å; T278-V281 PolarHBondContact O-N 3.4Å; T278-K282 WeakPolarHBondContact O-CG 3.09Å; T278-K282 PolarHBondContact O-N 3.09Å |
| 279 | G | 84.4 | Confident | 82.6 | Confident | 39 Ų | 39 | 66 Ų | 66 | 40% | 0.402 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L275 P276 A277 V281 K282 L283 | L275-G279 PolarHBondContact O-N 2.86Å; P276-G279 CarbonylContact O-C 3.59Å; P276-G279 WeakPolarHBondContact O-CA 3.46Å; P276-G279 PolarHBondContact O-N 2.96Å; A277-G279 VanDerWaalsContact C-N 3.31Å; A277-G279 PolarHBondContact O-N 3.08Å; G279-V281 PolarHBondContact O-N 2.85Å; G279-K282 PolarHBondContact O-N 3.05Å; G279-L283 WeakPolarHBondContact O-CB 3.45Å; G279-L283 PolarHBondContact O-N 3.29Å |
| 280 | C | 84.5 | Confident | 82.2 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 176.8 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | P276 A277 L283 A284 | P276-C280 WeakPolarHBondContact O-CB 3.4Å; P276-C280 PolarHBondContact O-N 3.27Å; P276-C280 PolarHBondContact O-SG 3.01Å; A277-C280 WeakPolarHBondContact O-CB 3.11Å; A277-C280 PolarHBondContact O-N 2.88Å; C280-L283 PolarHBondContact O-N 3.18Å; C280-A284 VanDerWaalsContact O-CB 3.25Å; C280-A284 WeakPolarHBondContact O-CB 3.41Å; C280-A284 PolarHBondContact O-N 2.95Å |
| 281 | V | 85.3 | Confident | 81.7 | Confident | 30 Ų | 30 | 74.9 Ų | 74.9 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L199 A213 V217 A277 T278 G279 L283 A284 Q285 | L199-V281 HydrophobicContact CD1-CG1 3.89Å; A213-V281 HydrophobicContact CB-CG1 3.76Å; A213-V281 HydrophobicContact CB-CG2 4.07Å; V217-V281 HydrophobicContact CG2-CG2 3.73Å; A277-V281 WeakPolarHBondContact O-CG2 3.48Å; A277-V281 PolarHBondContact O-N 3.43Å; T278-V281 PolarHBondContact O-N 3.4Å; G279-V281 PolarHBondContact O-N 2.85Å; V281-L283 VanDerWaalsContact C-N 3.33Å; V281-L283 PolarHBondContact O-N 2.87Å; V281-A284 PolarHBondContact O-N 3.39Å; V281-Q285 WeakPolarHBondContact O-CB 3.43Å; V281-Q285 PolarHBondContact O-N 2.92Å |
| 282 | K | 84.3 | Confident | 81.1 | Confident | 131 Ų | 131 | 82.3 Ų | 82.3 | 57% | 0.57 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.6 | -34.5 | 175.8 | -76.7 | 179.5 | 177.6 | 162.4 | 0 | 112.8 | T278 G279 Q285 R286 | T278-K282 WeakPolarHBondContact O-CG 3.09Å; T278-K282 PolarHBondContact O-N 3.09Å; G279-K282 PolarHBondContact O-N 3.05Å; K282-Q285 WeakPolarHBondContact O-CB 3.4Å; K282-R286 WeakPolarHBondContact O-CB 3.39Å; K282-R286 VanDerWaalsContact O-CG 3.27Å; K282-R286 WeakPolarHBondContact O-CG 3.47Å; K282-R286 PolarHBondContact O-N 3.04Å |
| 283 | L | 83.3 | Confident | 80.7 | Confident | 126 Ų | 126 | 79.8 Ų | 79.8 | 66% | 0.66 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -72.1 | -43.9 | 175.5 | -174.7 | 62.3 | 0 | 0 | 0 | 111.3 | G279 C280 V281 Q285 R286 G287 | G279-L283 WeakPolarHBondContact O-CB 3.45Å; G279-L283 PolarHBondContact O-N 3.29Å; C280-L283 PolarHBondContact O-N 3.18Å; V281-L283 VanDerWaalsContact C-N 3.33Å; V281-L283 PolarHBondContact O-N 2.87Å; L283-Q285 VanDerWaalsContact C-N 3.32Å; L283-Q285 PolarHBondContact O-N 3.3Å; L283-R286 CarbonylContact O-C 3.5Å; L283-R286 PolarHBondContact O-N 2.94Å; L283-G287 PolarHBondContact O-N 3.43Å |
| 284 | A | 82.1 | Confident | 79.9 | Confident | 54 Ų | 54 | 79.6 Ų | 79.6 | 45% | 0.446 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | C280 V281 G287 Y288 | C280-A284 VanDerWaalsContact O-CB 3.25Å; C280-A284 WeakPolarHBondContact O-CB 3.41Å; C280-A284 PolarHBondContact O-N 2.95Å; V281-A284 PolarHBondContact O-N 3.39Å; A284-G287 PolarHBondContact O-N 2.9Å; A284-Y288 WeakPolarHBondContact O-CB 3.46Å; A284-Y288 PolarHBondContact O-N 3.1Å |
| 285 | Q | 83.4 | Confident | 79.6 | Confident | 39 Ų | 39 | 77.8 Ų | 77.8 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.3 | -52.8 | 171.2 | 176.6 | 62.9 | 55 | 0 | 0 | 110.9 | R197 T198 L199 V281 K282 L283 G287 Y288 D289 | R197-Q285 PolarHBondContact O-NE2 3.46Å; T198-Q285 VanDerWaalsContact CA-NE2 3.33Å; L199-Q285 VanDerWaalsContact CB-OE1 3.24Å; L199-Q285 HydrophobicContact CD1-CB 3.8Å; L199-Q285 VanDerWaalsContact CD1-OE1 3.26Å; L199-Q285 HydrophobicContact CG-CB 4.26Å; V281-Q285 WeakPolarHBondContact O-CB 3.43Å; V281-Q285 PolarHBondContact O-N 2.92Å; K282-Q285 WeakPolarHBondContact O-CB 3.4Å; L283-Q285 VanDerWaalsContact C-N 3.32Å; L283-Q285 PolarHBondContact O-N 3.3Å; Q285-G287 VanDerWaalsContact C-N 3.32Å; Q285-G287 PolarHBondContact O-N 3.36Å; Q285-Y288 PolarHBondContact O-N 3.47Å; Q285-D289 PolarHBondContact NE2-OD2 3.28Å; Q285-D289 VanDerWaalsContact O-CB 3.24Å; Q285-D289 WeakPolarHBondContact O-CB 3.44Å; Q285-D289 PolarHBondContact O-N 3.24Å |
| 286 | R | 78.3 | Confident | 79.4 | Confident | 166 Ų | 166 | 72.8 Ų | 72.8 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.2 | -36.8 | 177.3 | -76.1 | 174.7 | 177.9 | -172 | 1.2 | 112.5 | K282 L283 R290 | K282-R286 WeakPolarHBondContact O-CB 3.39Å; K282-R286 VanDerWaalsContact O-CG 3.27Å; K282-R286 WeakPolarHBondContact O-CG 3.47Å; K282-R286 PolarHBondContact O-N 3.04Å; L283-R286 CarbonylContact O-C 3.5Å; L283-R286 PolarHBondContact O-N 2.94Å; R286-R290 WeakPolarHBondContact O-CB 3.35Å; R286-R290 WeakPolarHBondContact O-CD 3.28Å; R286-R290 WeakPolarHBondContact O-CG 3.44Å; R286-R290 PolarHBondContact O-N 3.46Å |
| 287 | G | 78.8 | Confident | 79 | Confident | 27 Ų | 27 | 76.2 Ų | 76.2 | 28% | 0.278 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.6 | -46.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L283 A284 Q285 D289 R290 L291 | L283-G287 PolarHBondContact O-N 3.43Å; A284-G287 PolarHBondContact O-N 2.9Å; Q285-G287 VanDerWaalsContact C-N 3.32Å; Q285-G287 PolarHBondContact O-N 3.36Å; G287-D289 VanDerWaalsContact C-N 3.35Å; G287-D289 PolarHBondContact O-N 3.16Å; G287-R290 WeakPolarHBondContact O-CB 3.24Å; G287-R290 PolarHBondContact O-N 2.98Å; G287-R290 VanDerWaalsContact O-N 3.09Å; G287-L291 WeakPolarHBondContact O-CG 3.46Å; G287-L291 PolarHBondContact O-N 3.18Å |
| 288 | Y | 79.6 | Confident | 78.8 | Confident | 72 Ų | 72 | 77.1 Ų | 77.1 | 28% | 0.282 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58 | -47.8 | 174 | -178.4 | -99.3 | 0 | 0 | 0 | 110.8 | R197 L199 A284 Q285 R290 L291 R292 | R197-Y288 HydrophobicContact CB-CE1 4.48Å; L199-Y288 HydrophobicContact CD2-CG 4.41Å; A284-Y288 WeakPolarHBondContact O-CB 3.46Å; A284-Y288 PolarHBondContact O-N 3.1Å; Q285-Y288 PolarHBondContact O-N 3.47Å; Y288-R290 VanDerWaalsContact C-N 3.32Å; Y288-R290 PolarHBondContact O-N 2.83Å; Y288-L291 PolarHBondContact O-N 3.27Å; Y288-R292 HydrophobicContact CD2-CG 3.86Å; Y288-R292 HydrophobicContact CE1-CB 4.34Å; Y288-R292 HydrophobicContact CE2-CB 4.27Å; Y288-R292 VanDerWaalsContact CE2-CD 3.47Å; Y288-R292 HydrophobicContact CE2-CG 3.57Å; Y288-R292 HydrophobicContact CG-CG 4.43Å; Y288-R292 VanDerWaalsContact O-CB 3.31Å; Y288-R292 WeakPolarHBondContact O-CB 3.21Å; Y288-R292 PolarHBondContact O-N 2.98Å |
| 289 | D | 80.1 | Confident | 78.2 | Confident | 17 Ų | 17 | 85.2 Ų | 85.2 | 9% | 0.091 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -53.9 | -47.5 | 171.5 | -92.2 | -56.1 | 0 | 0 | 0 | 111.8 | P196 R197 Q285 G287 L291 R293 | P196-D289 WeakPolarHBondContact CA-OD1 3.32Å; R197-D289 PolarHBondContact N-OD1 3.37Å; Q285-D289 PolarHBondContact NE2-OD2 3.28Å; Q285-D289 VanDerWaalsContact O-CB 3.24Å; Q285-D289 WeakPolarHBondContact O-CB 3.44Å; Q285-D289 PolarHBondContact O-N 3.24Å; G287-D289 VanDerWaalsContact C-N 3.35Å; G287-D289 PolarHBondContact O-N 3.16Å; D289-L291 VanDerWaalsContact C-N 3.33Å; D289-L291 PolarHBondContact O-N 3.4Å; D289-R293 WeakPolarHBondContact O-CB 3.44Å; D289-R293 WeakPolarHBondContact O-CD 3.25Å; D289-R293 WeakPolarHBondContact O-CG 3.24Å; D289-R293 PolarHBondContact O-N 3.38Å; D289-R293 VanDerWaalsContact O-N 3.13Å; D289-R293 IonicContact OD1-CZ 3.83Å; D289-R293 IonicContact OD1-NE 3.1Å; D289-R293 PolarHBondContact OD1-NE 3.1Å; D289-R293 VanDerWaalsContact OD1-NE 3.1Å; D289-R293 IonicContact OD1-NH2 2.59Å |
| 290 | R | 73 | Confident | 77.1 | Confident | 152 Ų | 152 | 92.5 Ų | 92.5 | 57% | 0.574 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.7 | -34.6 | -178.2 | -76.7 | 168.2 | -176.2 | -93.9 | -5.6 | 113.3 | R286 G287 Y288 | R286-R290 WeakPolarHBondContact O-CB 3.35Å; R286-R290 WeakPolarHBondContact O-CD 3.28Å; R286-R290 WeakPolarHBondContact O-CG 3.44Å; R286-R290 PolarHBondContact O-N 3.46Å; G287-R290 WeakPolarHBondContact O-CB 3.24Å; G287-R290 PolarHBondContact O-N 2.98Å; G287-R290 VanDerWaalsContact O-N 3.09Å; Y288-R290 VanDerWaalsContact C-N 3.32Å; Y288-R290 PolarHBondContact O-N 2.83Å |
| 291 | L | 72.7 | Confident | 76.5 | Confident | 152 Ų | 152 | 90.3 Ų | 90.3 | 80% | 0.796 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -88.7 | -39.6 | -175.8 | -67 | 173.4 | 0 | 0 | 0 | 112.8 | G287 Y288 D289 | G287-L291 WeakPolarHBondContact O-CG 3.46Å; G287-L291 PolarHBondContact O-N 3.18Å; Y288-L291 PolarHBondContact O-N 3.27Å; D289-L291 VanDerWaalsContact C-N 3.33Å; D289-L291 PolarHBondContact O-N 3.4Å |
| 292 | R | 68.5 | Low | 75.9 | Confident | 175 Ų | 175 | 95 Ų | 95 | 66% | 0.66 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -97 | -7.5 | -172.8 | -65.8 | -121.5 | 180 | -161.8 | 0.5 | 114.1 | Y288 P294 | Y288-R292 HydrophobicContact CD2-CG 3.86Å; Y288-R292 HydrophobicContact CE1-CB 4.34Å; Y288-R292 HydrophobicContact CE2-CB 4.27Å; Y288-R292 VanDerWaalsContact CE2-CD 3.47Å; Y288-R292 HydrophobicContact CE2-CG 3.57Å; Y288-R292 HydrophobicContact CG-CG 4.43Å; Y288-R292 VanDerWaalsContact O-CB 3.31Å; Y288-R292 WeakPolarHBondContact O-CB 3.21Å; Y288-R292 PolarHBondContact O-N 2.98Å; R292-P294 WeakPolarHBondContact O-CD 3.44Å |
| 293 | R | 72.1 | Confident | 75.6 | Confident | 57 Ų | 57 | 91.6 Ų | 91.6 | 22% | 0.215 | 44% | 0.443 | C | S | . | . | trans | -65.6 | 124.3 | 176.3 | -87.7 | 169.9 | -177 | -122.6 | 28.6 | 111.5 | A194 S195 P196 D289 G295 | A194-R293 PolarHBondContact O-NH1 3.22Å; S195-R293 VanDerWaalsContact C-CZ 3.46Å; S195-R293 VanDerWaalsContact O-CZ 3.28Å; S195-R293 PolarHBondContact O-NH1 3.06Å; P196-R293 VanDerWaalsContact N-CZ 3.3Å; P196-R293 VanDerWaalsContact N-NH2 3.19Å; D289-R293 WeakPolarHBondContact O-CB 3.44Å; D289-R293 WeakPolarHBondContact O-CD 3.25Å; D289-R293 WeakPolarHBondContact O-CG 3.24Å; D289-R293 PolarHBondContact O-N 3.38Å; D289-R293 VanDerWaalsContact O-N 3.13Å; D289-R293 IonicContact OD1-CZ 3.83Å; D289-R293 IonicContact OD1-NE 3.1Å; D289-R293 PolarHBondContact OD1-NE 3.1Å; D289-R293 VanDerWaalsContact OD1-NE 3.1Å; D289-R293 IonicContact OD1-NH2 2.59Å; R293-G295 VanDerWaalsContact C-N 3.3Å; R293-G295 PolarHBondContact O-N 3.33Å | ||
| 294 | P | 67.4 | Low | 75.2 | Confident | 65 Ų | 65 | 89 Ų | 89 | 42% | 0.422 | 43% | 0.433 | S | S | . | . | trans | -76.2 | -15.9 | 177.9 | 29.5 | -32.7 | 0 | 0 | 0 | 113.2 | C193 R292 | C193-P294 HydrophobicContact CB-CG 4.23Å; R292-P294 WeakPolarHBondContact O-CD 3.44Å | ||
| 295 | G | 76.9 | Confident | 74.8 | Confident | 3 Ų | 3 | 92.1 Ų | 92.1 | 3% | 0.031 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -82 | 166.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 117 | K187 C188 C193 R293 | K187-G295 VanDerWaalsContact CD-O 3.3Å; K187-G295 WeakPolarHBondContact CD-O 3.38Å; C188-G295 CarbonylContact O-C 3.56Å; C188-G295 WeakPolarHBondContact O-CA 3.29Å; C193-G295 WeakPolarHBondContact O-CA 3.3Å; C193-G295 PolarHBondContact O-N 3.47Å; R293-G295 VanDerWaalsContact C-N 3.3Å; R293-G295 PolarHBondContact O-N 3.33Å |
| 296 | C | 80.3 | Confident | 73.8 | Confident | 21 Ų | 21 | 93 Ų | 93 | 14% | 0.142 | 45% | 0.45 | C | S | . | . | trans | -71.4 | 144.3 | 175.8 | -178.7 | 0 | 0 | 0 | 0 | 112.2 | C182 C185 K187 C188 K189 C298 | C182-C296 HydrophobicContact CB-CB 3.3Å; C182-C296 WeakPolarHBondContact CB-SG 3.21Å; C182-C296 WeakPolarHBondContact SG-CB 3.3Å; C182-C296 CovalentContact SG-SG 2.06Å; C182-C296 PolarHBondContact SG-SG 2.84Å; C185-C296 PolarHBondContact SG-SG 3.38Å; K187-C296 HydrophobicContact CB-CB 4.03Å; C188-C296 PolarHBondContact O-N 2.96Å; K189-C296 HydrophobicContact CG-CB 3.85Å; C296-C298 PolarHBondContact SG-N 3.37Å; C296-C298 VanDerWaalsContact SG-SG 3.61Å | ||
| 297 | R | 75.7 | Confident | 72.5 | Confident | 147 Ų | 147 | 94.3 Ų | 94.3 | 56% | 0.555 | 46% | 0.46 | S | S | * | . | trans | -120.6 | 3 | 177.4 | -62 | -176.3 | 65 | -157.6 | -4.6 | 114.2 | K299 | R297-K299 PolarHBondContact O-N 2.93Š| ||
| 298 | C | 79.1 | Confident | 71.3 | Confident | 47 Ų | 47 | 96.2 Ų | 96.2 | 32% | 0.318 | 47% | 0.474 | S | S | . | . | trans | -67.6 | 126.9 | -179.2 | -54.5 | 0 | 0 | 0 | 0 | 109.8 | C296 T301 | C296-C298 PolarHBondContact SG-N 3.37Å; C296-C298 VanDerWaalsContact SG-SG 3.61Å; C298-T301 HydrophobicContact CB-CG2 3.49Å; C298-T301 VanDerWaalsContact CB-CG2 3.49Å; C298-T301 WeakPolarHBondContact CB-OG1 3.5Å | ||
| 299 | K | 71.4 | Confident | 69.7 | Low | 186 Ų | 186 | 97.4 Ų | 97.4 | 81% | 0.809 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 131.8 | 168.5 | -61.9 | -176.5 | 177.5 | -174.8 | 0 | 107.2 | R297 | R297-K299 PolarHBondContact O-N 2.93Š|
| 300 | H | 63.2 | Low | 68 | Low | 193 Ų | 193 | 101.7 Ų | 101.7 | 89% | 0.894 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 44 | 175.6 | -47.6 | -77.1 | 0 | 0 | 0 | 117.1 | ||
| 301 | T | 71.3 | Confident | 66.6 | Low | 37 Ų | 37 | 97.8 Ų | 97.8 | 23% | 0.227 | 54% | 0.537 | C | S | . | . | trans | -114.5 | 142.5 | 170.7 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | C182 A184 K189 C298 | C182-T301 PolarHBondContact SG-OG1 2.91Å; A184-T301 HydrophobicContact CB-CG2 3.77Å; K189-T301 PolarHBondContact NZ-O 2.91Å; K189-T301 PolarHBondContact NZ-OG1 2.87Å; K189-T301 VanDerWaalsContact NZ-OG1 3.09Å; C298-T301 HydrophobicContact CB-CG2 3.49Å; C298-T301 VanDerWaalsContact CB-CG2 3.49Å; C298-T301 WeakPolarHBondContact CB-OG1 3.5Å | ||
| 302 | N | 73.2 | Confident | 65.3 | Low | 127 Ų | 127 | 98.6 Ų | 98.6 | 68% | 0.679 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -66 | 149.1 | 172.8 | -67.4 | -52.9 | 0 | 0 | 0 | 110.3 | E183 | E183-N302 PolarHBondContact N-O 3.25Š|
| 303 | S | 77.2 | Confident | 63.9 | Low | 60 Ų | 60 | 94.7 Ų | 94.7 | 42% | 0.42 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 129.3 | 171.9 | 50.4 | 0 | 0 | 0 | 0 | 109 | L181 | L181-S303 CarbonylContact O-C 3.54Å; L181-S303 WeakPolarHBondContact O-CA 3.35Å |
| 304 | V | 75.1 | Confident | 62.3 | Low | 72 Ų | 72 | 101 Ų | 101 | 44% | 0.436 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97 | 132.7 | 171.4 | -174.9 | 0 | 0 | 0 | 0 | 107.7 | L181 E183 | L181-V304 PolarHBondContact N-O 3.11Å; L181-V304 PolarHBondContact O-N 3.38Å; E183-V304 HydrophobicContact CB-CG2 3.97Å; E183-V304 HydrophobicContact CG-CG2 3.98Å |
| 305 | I | 72.9 | Confident | 60.8 | Low | 119 Ų | 119 | 105 Ų | 105 | 61% | 0.61 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.3 | 114.8 | 172.2 | -64.2 | 167.3 | 0 | 0 | 0 | 107 | F179 L180 K307 | F179-I305 HydrophobicContact CB-CG2 4.48Å; F179-I305 WeakPolarHBondContact O-CA 3.46Å; L180-I305 HydrophobicContact CD2-CD1 4.48Å; L180-I305 HydrophobicContact CD2-CG1 3.79Å; I305-K307 VanDerWaalsContact C-N 3.34Å; I305-K307 PolarHBondContact O-N 3.4Å |
| 306 | C | 62.2 | Low | 59.4 | Low | 58 Ų | 58 | 110.2 Ų | 110.2 | 39% | 0.392 | 64% | 0.636 | S | S | . | * | trans | -72 | 94.1 | 168.8 | -77.6 | 0 | 0 | 0 | 0 | 108.6 | F179 L181 A308 | F179-C306 WeakPolarHBondContact CD1-O 3.26Å; F179-C306 PolarHBondContact O-N 3.12Å; L181-C306 HydrophobicContact CD1-CB 4.46Å; L181-C306 WeakPolarHBondContact CD1-SG 3.1Å; C306-A308 PolarHBondContact O-N 3.45Å | ||
| 307 | K | 52.3 | Low | 57.8 | Low | 193 Ų | 193 | 120.7 Ų | 120.7 | 84% | 0.839 | 67% | 0.672 | S | S | * | * | trans | -67.6 | 101.8 | 163 | -168 | 173.9 | 177.6 | 75.8 | 0 | 106.2 | I305 A309 | I305-K307 VanDerWaalsContact C-N 3.34Å; I305-K307 PolarHBondContact O-N 3.4Å; K307-A309 PolarHBondContact O-N 3.37Å | ||
| 308 | A | 53 | Low | 56.4 | Low | 68 Ų | 68 | 119 Ų | 119 | 56% | 0.562 | 68% | 0.68 | S | S | * | * | trans | -55.7 | 112.4 | 167 | 0 | 0 | 0 | 0 | 0 | 105.9 | C306 S310 | C306-A308 PolarHBondContact O-N 3.45Å; A308-S310 PolarHBondContact O-N 3.33Å | ||
| 309 | A | 46.2 | Very low | 54.6 | Low | 97 Ų | 97 | 124.3 Ų | 124.3 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | trans | -69.6 | 76.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | K307 G311 | K307-A309 PolarHBondContact O-N 3.37Å; A309-G311 VanDerWaalsContact C-N 3.34Å; A309-G311 PolarHBondContact O-N 3.15Å | ||
| 310 | S | 43.8 | Very low | 52.9 | Low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 71% | 0.709 | S | S | * | * | trans | -58.4 | 107.2 | 154 | 44.2 | 0 | 0 | 0 | 0 | 105.1 | A308 D312 | A308-S310 PolarHBondContact O-N 3.33Å; S310-D312 PolarHBondContact O-N 3.34Å; S310-D312 VanDerWaalsContact O-N 3.14Å | ||
| 311 | G | 44.3 | Very low | 52.6 | Low | 70 Ų | 70 | 120.8 Ų | 120.8 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | trans | -61.6 | 113.1 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A309 A313 | A309-G311 VanDerWaalsContact C-N 3.34Å; A309-G311 PolarHBondContact O-N 3.15Å; G311-A313 VanDerWaalsContact C-N 3.32Å; G311-A313 PolarHBondContact O-N 3.21Å | ||
| 312 | D | 44.2 | Very low | 51.1 | Low | 170 Ų | 170 | 132.3 Ų | 132.3 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | -90.3 | 78.8 | 152.2 | -94.4 | -56.2 | 0 | 0 | 0 | 108.1 | S310 K314 | S310-D312 PolarHBondContact O-N 3.34Å; S310-D312 VanDerWaalsContact O-N 3.14Å; D312-K314 PolarHBondContact O-N 3.29Å | ||
| 313 | A | 40.2 | Very low | 50 | Low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -87.7 | 93.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | G311 | G311-A313 VanDerWaalsContact C-N 3.32Å; G311-A313 PolarHBondContact O-N 3.21Å | ||
| 314 | K | 37.8 | Very low | 48.6 | Very low | 189 Ų | 189 | 136.4 Ų | 136.4 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 63.6 | 102.6 | 130.9 | -161.2 | 179.6 | -168.1 | 176.4 | 0 | 117.4 | D312 | D312-K314 PolarHBondContact O-N 3.29Š| ||
| 315 | T | 37.5 | Very low | 47.1 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | -157.7 | 88.9 | 120.9 | 25.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 316 | S | 47.4 | Very low | 45.6 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -96.9 | 125.9 | 152.8 | 54.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 317 | R | 45.7 | Very low | 44.6 | Very low | 241 Ų | 241 | 146.4 Ų | 146.4 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | 169.8 | 159.6 | 145.9 | -104.8 | -167.5 | 170.9 | -171.3 | -1 | 110.8 | ||||
| 318 | P | 46.5 | Very low | 44 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | -128 | 161.5 | -58.5 | 26.3 | -5.8 | 0 | 0 | 0 | 110.8 | |||||
| 319 | D | 41.6 | Very low | 43.4 | Very low | 160 Ų | 160 | 148.6 Ų | 148.6 | 86% | 0.856 | 84% | 0.837 | S | S | * | * | trans | -50 | 141.8 | 163.3 | -80.6 | -73 | 0 | 0 | 0 | 112.5 | ||||
| 320 | K | 35.6 | Very low | 43.2 | Very low | 202 Ų | 202 | 152.6 Ų | 152.6 | 88% | 0.878 | 84% | 0.839 | S | S | * | * | trans | -147.5 | 144.9 | 140.5 | -110.8 | 175.8 | -177.4 | -178.1 | 0 | 111.7 | ||||
| 321 | P | 57.2 | Low | 43.1 | Very low | 103 Ų | 103 | 156.5 Ų | 156.5 | 67% | 0.669 | 85% | 0.848 | S | S | * | * | trans | -94.6 | 176 | -172.2 | 38.9 | -32.2 | 0 | 0 | 0 | 112.6 | ||||
| 322 | F | 39.7 | Very low | 43 | Very low | 278 Ų | 278 | 164.4 Ų | 164.4 | 100% | 1.219 | 86% | 0.859 | S | S | * | * | trans | 99.5 | 0 | 178.4 | -59.1 | -70.6 | 0 | 0 | 0 | 115.2 |
Retrieved 322 of 322 residues in 151.5 ms
(Link to these results)