| 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 | 30.6 | Very low | 35.2 | Very low | 243 Ų | 243 | 174.9 Ų | 174.9 | 100% | 1.197 | 85% | 0.854 | S | S | * | * | 0 | 134.8 | 0 | -74.1 | 162.1 | 168.6 | 0 | 0 | 108.3 | |||||
| 2 | K | 39.3 | Very low | 34.6 | Very low | 206 Ų | 206 | 175.4 Ų | 175.4 | 90% | 0.896 | 85% | 0.848 | S | S | * | * | trans | -90 | 110.5 | 177.3 | -69.4 | -179 | 175 | -173.8 | 0 | 108.9 | L4 | K2-L4 PolarHBondContact O-N 2.89Š| ||
| 3 | M | 31.8 | Very low | 34.4 | Very low | 182 Ų | 182 | 179.1 Ų | 179.1 | 90% | 0.897 | 85% | 0.85 | S | S | * | * | trans | -86.7 | 88.6 | 166 | -70.6 | -60.3 | -114.5 | 0 | 0 | 108.1 | ||||
| 4 | L | 37.5 | Very low | 34.2 | Very low | 141 Ų | 141 | 179.1 Ų | 179.1 | 74% | 0.738 | 85% | 0.85 | S | S | * | * | trans | -68.1 | 137.6 | 177.5 | -173.3 | 71.2 | 0 | 0 | 0 | 109.8 | K2 K6 | K2-L4 PolarHBondContact O-N 2.89Å; L4-K6 VanDerWaalsContact C-N 3.27Å; L4-K6 PolarHBondContact O-N 3.36Å | ||
| 5 | W | 32.7 | Very low | 33.9 | Very low | 228 Ų | 228 | 177.4 Ų | 177.4 | 86% | 0.864 | 85% | 0.848 | S | S | * | * | trans | -64.5 | 81.2 | 174.2 | -66.7 | 92.6 | 0 | 0 | 0 | 111.6 | L7 | W5-L7 VanDerWaalsContact C-N 3.33Å; W5-L7 PolarHBondContact O-N 3.29Å | ||
| 6 | K | 34.2 | Very low | 33.8 | Very low | 186 Ų | 186 | 173.9 Ų | 173.9 | 81% | 0.809 | 85% | 0.846 | S | S | * | * | trans | -89.3 | 69.6 | 173.4 | -117.8 | -174.9 | 179.2 | -175.7 | 0 | 110.6 | L4 T8 | L4-K6 VanDerWaalsContact C-N 3.27Å; L4-K6 PolarHBondContact O-N 3.36Å; K6-T8 PolarHBondContact O-N 3.06Å | ||
| 7 | L | 37.7 | Very low | 33.6 | Very low | 158 Ų | 158 | 174.3 Ų | 174.3 | 83% | 0.827 | 85% | 0.846 | S | S | * | * | trans | -83.9 | 95 | 163.4 | -167.5 | 69.8 | 0 | 0 | 0 | 108 | W5 D9 | W5-L7 VanDerWaalsContact C-N 3.33Å; W5-L7 PolarHBondContact O-N 3.29Å; L7-D9 PolarHBondContact O-N 3.1Å | ||
| 8 | T | 34.1 | Very low | 33.5 | Very low | 125 Ų | 125 | 172.9 Ų | 172.9 | 77% | 0.767 | 84% | 0.843 | S | S | * | * | trans | -11.8 | 109.5 | 176.9 | 36.3 | 0 | 0 | 0 | 0 | 117 | K6 N10 | K6-T8 PolarHBondContact O-N 3.06Å; T8-N10 PolarHBondContact O-N 3.5Å | ||
| 9 | D | 37.1 | Very low | 33.5 | Very low | 156 Ų | 156 | 176.3 Ų | 176.3 | 83% | 0.834 | 85% | 0.846 | S | S | * | * | trans | -63 | 115.6 | 160.1 | -57.5 | -72.8 | 0 | 0 | 0 | 110.2 | L7 | L7-D9 PolarHBondContact O-N 3.1Š| ||
| 10 | N | 35 | Very low | 33.5 | Very low | 146 Ų | 146 | 176.2 Ų | 176.2 | 78% | 0.781 | 84% | 0.844 | S | S | * | * | trans | -156.2 | 61.6 | 156.3 | -136.2 | -17.2 | 0 | 0 | 0 | 111.8 | T8 | T8-N10 PolarHBondContact O-N 3.5Š| ||
| 11 | I | 36.9 | Very low | 33.6 | Very low | 153 Ų | 153 | 175.6 Ų | 175.6 | 79% | 0.785 | 85% | 0.845 | S | S | * | * | trans | -112.9 | 96.9 | 159.4 | -61.4 | 177.9 | 0 | 0 | 0 | 106 | Y13 | I11-Y13 PolarHBondContact O-N 3.27Š| ||
| 12 | K | 28.7 | Very low | 33.7 | Very low | 181 Ų | 181 | 167.5 Ų | 167.5 | 79% | 0.787 | 82% | 0.824 | S | S | * | * | trans | -58.1 | 122 | 163.2 | -83.2 | -174.9 | 170.8 | -173.8 | 0 | 107.8 | E14 | K12-E14 PolarHBondContact O-N 3.01Š| ||
| 13 | Y | 31.6 | Very low | 33.4 | Very low | 223 Ų | 223 | 164.8 Ų | 164.8 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | trans | -68.9 | 115 | 154.1 | -82.1 | -104.5 | 0 | 0 | 0 | 106.5 | I11 | I11-Y13 PolarHBondContact O-N 3.27Š| ||
| 14 | E | 31.1 | Very low | 33.5 | Very low | 180 Ų | 180 | 160.8 Ų | 160.8 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | trans | -76.7 | 124.6 | 155.9 | -79.1 | -170.7 | 139.3 | 0 | 0 | 107.2 | K12 | K12-E14 PolarHBondContact O-N 3.01Š| ||
| 15 | D | 29.9 | Very low | 33.3 | Very low | 153 Ų | 153 | 161.8 Ų | 161.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -75.6 | 127 | 175.3 | -153.6 | 7.8 | 0 | 0 | 0 | 108.2 | E17 | D15-E17 PolarHBondContact O-N 2.96Å; D15-E17 VanDerWaalsContact O-N 3.12Å | ||
| 16 | C | 31.8 | Very low | 33.3 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -82.5 | 89.5 | 175.8 | -80.2 | 0 | 0 | 0 | 0 | 108.6 | D18 | C16-D18 PolarHBondContact O-N 3.47Å; C16-D18 VanDerWaalsContact O-N 3.16Å | ||
| 17 | E | 30.8 | Very low | 33.2 | Very low | 180 Ų | 180 | 152 Ų | 152 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | trans | -58.4 | 118 | 172.8 | -72.1 | -170.5 | 128.8 | 0 | 0 | 111.1 | D15 R19 | D15-E17 PolarHBondContact O-N 2.96Å; D15-E17 VanDerWaalsContact O-N 3.12Å; E17-R19 PolarHBondContact O-N 3.25Å | ||
| 18 | D | 33 | Very low | 33.1 | Very low | 149 Ų | 149 | 149 Ų | 149 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | -75.3 | 110 | 179.8 | -138.9 | -11.3 | 0 | 0 | 0 | 109.6 | C16 H20 | C16-D18 PolarHBondContact O-N 3.47Å; C16-D18 VanDerWaalsContact O-N 3.16Å; D18-H20 PolarHBondContact O-N 3.02Å | ||
| 19 | R | 32.4 | Very low | 33.1 | Very low | 237 Ų | 237 | 155 Ų | 155 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | -71.4 | 99.5 | 179.5 | -92 | -173.2 | 167.8 | 144.3 | -0.3 | 111 | E17 D21 | E17-R19 PolarHBondContact O-N 3.25Å; R19-D21 PolarHBondContact O-N 2.63Å | ||
| 20 | H | 34 | Very low | 32.9 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | -65.7 | 111.6 | 161.9 | -83.2 | 53.7 | 0 | 0 | 0 | 110.6 | D18 | D18-H20 PolarHBondContact O-N 3.02Š| ||
| 21 | D | 36 | Very low | 33.6 | Very low | 164 Ų | 164 | 152.9 Ų | 152.9 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -95 | 106.4 | 153.7 | -90.7 | -42.8 | 0 | 0 | 0 | 108.8 | R19 | R19-D21 PolarHBondContact O-N 2.63Š| ||
| 22 | G | 31.4 | Very low | 33.3 | Very low | 73 Ų | 73 | 153.6 Ų | 153.6 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -96.7 | 119.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 23 | T | 34.3 | Very low | 33.5 | Very low | 149 Ų | 149 | 153 Ų | 153 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | trans | -129.4 | 136.3 | 157.2 | 45.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 24 | S | 33.4 | Very low | 33.5 | Very low | 99 Ų | 99 | 146.2 Ų | 146.2 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | trans | -101.9 | 144.3 | -163.8 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 25 | N | 32.8 | Very low | 33.5 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 87% | 0.866 | 81% | 0.814 | S | S | * | * | 148.9 | 150.8 | 123.8 | -81 | -26.8 | 0 | 0 | 0 | 113.7 | |||||
| 26 | G | 32.8 | Very low | 33.7 | Very low | 62 Ų | 62 | 143.3 Ų | 143.3 | 64% | 0.639 | 82% | 0.817 | S | S | * | * | trans | 114.4 | 72.7 | 145 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 27 | T | 32.4 | Very low | 33.7 | Very low | 147 Ų | 147 | 140.6 Ų | 140.6 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | 39 | 126.7 | 136.3 | 49.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 28 | A | 35.8 | Very low | 33.9 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | -51.2 | 151.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 29 | R | 33.5 | Very low | 34.1 | Very low | 251 Ų | 251 | 137.8 Ų | 137.8 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | 179.8 | 138.3 | 121 | -97.2 | 164.6 | -172.9 | -159.4 | 2.2 | 113.5 | |||||
| 30 | L | 34.3 | Very low | 35 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -81.5 | 167.5 | 151.3 | -92 | 122.9 | 0 | 0 | 0 | 108.7 | ||||
| 31 | P | 48.5 | Very low | 35.1 | Very low | 98 Ų | 98 | 133 Ų | 133 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | cis | -147.8 | -175.7 | 28.7 | 42.8 | -21.9 | 0 | 0 | 0 | 118.9 | ||||
| 32 | Q | 30.6 | Very low | 35.1 | Very low | 167 Ų | 167 | 131.3 Ų | 131.3 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | 75 | 122.7 | 144.3 | -87.9 | 174.4 | -42.6 | 0 | 0 | 124.4 | ||||
| 33 | L | 33.9 | Very low | 35.5 | Very low | 169 Ų | 169 | 133.2 Ų | 133.2 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | 39.7 | 130.3 | 129.5 | -106.4 | 69 | 0 | 0 | 0 | 121.9 | |||||
| 34 | G | 30 | Very low | 35.5 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -179.9 | 82.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 35 | T | 32.7 | Very low | 36.1 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -56.3 | 141.1 | 177.3 | -45.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 36 | V | 33 | Very low | 36.6 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 87% | 0.873 | 78% | 0.784 | S | S | * | * | trans | 73.4 | 137.7 | 146.2 | 162.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 37 | G | 31.9 | Very low | 36.9 | Very low | 65 Ų | 65 | 135.1 Ų | 135.1 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | 128.5 | 96.2 | 151.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 38 | Q | 35.1 | Very low | 37.1 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | 91.2 | 104.9 | 77.5 | -82.3 | -79.4 | 2 | 0 | 0 | 115.9 | |||||
| 39 | S | 37.8 | Very low | 37.2 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | 43.7 | 145.8 | 134.4 | -46.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 40 | P | 50.9 | Low | 37.4 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 61% | 0.61 | 79% | 0.786 | S | S | * | * | -149.9 | 136.1 | 72 | 39.7 | -20.1 | 0 | 0 | 0 | 116.3 | |||||
| 41 | Y | 36.9 | Very low | 38 | Very low | 217 Ų | 217 | 129.2 Ų | 129.2 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | 157.9 | 164.8 | 95.8 | -79.9 | -55.4 | 0 | 0 | 0 | 106.3 | |||||
| 42 | T | 34.3 | Very low | 37.7 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | cis | -159.7 | 163.3 | -15.9 | -91.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 43 | S | 39.7 | Very low | 38.3 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -127.9 | 157.9 | -168.7 | 54.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 44 | A | 35.5 | Very low | 39 | Very low | 96 Ų | 96 | 128.2 Ų | 128.2 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -173.1 | 165 | 152.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 45 | P | 44.9 | Very low | 39.8 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | -120.4 | 166.2 | -68.2 | 38.5 | -26.4 | 0 | 0 | 0 | 112.4 | |||||
| 46 | P | 44 | Very low | 41 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 138.5 | 176.6 | 33.8 | -32.5 | 0 | 0 | 0 | 112.5 | ||
| 47 | L | 38.4 | Very low | 42.6 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 90% | 0.901 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 125 | 167.1 | -88.3 | 168.7 | 0 | 0 | 0 | 110.8 | ||
| 48 | S | 36.4 | Very low | 44 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 126.5 | -178.1 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 49 | H | 39.7 | Very low | 45.5 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | trans | -135.3 | 143.4 | 154.7 | -81.7 | -77.2 | 0 | 0 | 0 | 109.8 | ||||
| 50 | T | 37.5 | Very low | 46.8 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -103.8 | -165.2 | -171.1 | 56.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 51 | P | 46.4 | Very low | 47.7 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | -112 | 153.1 | -107 | 34.3 | -17.6 | 0 | 0 | 0 | 113.8 | |||||
| 52 | N | 41.8 | Very low | 49.1 | Very low | 164 Ų | 164 | 135 Ų | 135 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | 178.5 | 100 | 143.7 | -97.9 | -6.7 | 0 | 0 | 0 | 111.2 | ||||
| 53 | A | 43.3 | Very low | 50.2 | Low | 94 Ų | 94 | 134.9 Ų | 134.9 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | -163.5 | 104.4 | 157 | 0 | 0 | 0 | 0 | 0 | 107.7 | F55 | A53-F55 PolarHBondContact O-N 3.47Š| ||
| 54 | D | 47.9 | Very low | 50.9 | Low | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -63.7 | 98.9 | 177.8 | -73.7 | -69.7 | 0 | 0 | 0 | 111 | Q56 | D54-Q56 VanDerWaalsContact C-N 3.31Å; D54-Q56 PolarHBondContact O-N 3.46Å | ||
| 55 | F | 48.5 | Very low | 51.8 | Low | 197 Ų | 197 | 143.5 Ų | 143.5 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -81.3 | 78.7 | 176.6 | -152.1 | -83.5 | 0 | 0 | 0 | 109.8 | A53 P57 | A53-F55 PolarHBondContact O-N 3.47Å; F55-P57 WeakPolarHBondContact O-CD 3.31Å | ||
| 56 | Q | 57.3 | Low | 51.8 | Low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 123.3 | 172.9 | -74.6 | -172.5 | -25.6 | 0 | 0 | 110.4 | D54 | D54-Q56 VanDerWaalsContact C-N 3.31Å; D54-Q56 PolarHBondContact O-N 3.46Å |
| 57 | P | 65.5 | Low | 51.8 | Low | 104 Ų | 104 | 144.6 Ų | 144.6 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 151.4 | 168.6 | 29.4 | -33.9 | 0 | 0 | 0 | 110.1 | F55 Y59 | F55-P57 WeakPolarHBondContact O-CD 3.31Å; P57-Y59 PolarHBondContact O-N 3.48Å; P57-Y59 VanDerWaalsContact O-N 3.15Å |
| 58 | P | 61.9 | Low | 51.9 | Low | 119 Ų | 119 | 146.4 Ų | 146.4 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 118.8 | -175.9 | 24.5 | -33.6 | 0 | 0 | 0 | 111.6 | F60 | P58-F60 PolarHBondContact O-N 3.44Š|
| 59 | Y | 66.4 | Low | 52.4 | Low | 192 Ų | 192 | 147.2 Ų | 147.2 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67 | 119.1 | 178.7 | 179.5 | -98.7 | 0 | 0 | 0 | 111.2 | P57 P61 | P57-Y59 PolarHBondContact O-N 3.48Å; P57-Y59 VanDerWaalsContact O-N 3.15Å; Y59-P61 HydrophobicContact CE1-CB 4.36Å |
| 60 | F | 65.8 | Low | 52.3 | Low | 185 Ų | 185 | 146.8 Ų | 146.8 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 122.7 | 166.8 | -100 | -100.6 | 0 | 0 | 0 | 109.3 | P58 | P58-F60 PolarHBondContact O-N 3.44Š|
| 61 | P | 68.9 | Low | 52.4 | Low | 88 Ų | 88 | 145.6 Ų | 145.6 | 57% | 0.571 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 147.5 | 176.6 | 28.7 | -34.1 | 0 | 0 | 0 | 111 | Y59 | Y59-P61 HydrophobicContact CE1-CB 4.36Š|
| 62 | P | 66.5 | Low | 52.1 | Low | 86 Ų | 86 | 148.6 Ų | 148.6 | 56% | 0.558 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 153.6 | 175.3 | 28 | -34.8 | 0 | 0 | 0 | 111.3 | Y64 | P62-Y64 PolarHBondContact O-N 3.26Š|
| 63 | P | 57.6 | Low | 52 | Low | 125 Ų | 125 | 147.7 Ų | 147.7 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 131.3 | 179.2 | 25.9 | -33.9 | 0 | 0 | 0 | 111 | Q65 | P63-Q65 PolarHBondContact O-N 2.78Š|
| 64 | Y | 53.6 | Low | 52 | Low | 218 Ų | 218 | 147.8 Ų | 147.8 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130.1 | 178.1 | -80.1 | -95.5 | 0 | 0 | 0 | 111.4 | P62 | P62-Y64 PolarHBondContact O-N 3.26Š|
| 65 | Q | 55.2 | Low | 51.7 | Low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 145.6 | 161.7 | -66.7 | -155.6 | -14.2 | 0 | 0 | 109.9 | P63 I67 | P63-Q65 PolarHBondContact O-N 2.78Å; Q65-I67 PolarHBondContact O-N 2.64Å; Q65-I67 VanDerWaalsContact O-N 3.12Å |
| 66 | P | 45.4 | Very low | 51.6 | Low | 117 Ų | 117 | 145.3 Ų | 145.3 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | -68.8 | 110.9 | -178.6 | 27.1 | -33.6 | 0 | 0 | 0 | 111.1 | ||||
| 67 | I | 43.8 | Very low | 51.2 | Low | 149 Ų | 149 | 144 Ų | 144 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | -76.8 | 121.1 | 166.2 | -62.7 | 173.7 | 0 | 0 | 0 | 107.5 | Q65 P69 | Q65-I67 PolarHBondContact O-N 2.64Å; Q65-I67 VanDerWaalsContact O-N 3.12Å; I67-P69 WeakPolarHBondContact O-CD 3.11Å | ||
| 68 | Y | 40.8 | Very low | 50.2 | Low | 211 Ų | 211 | 145.3 Ų | 145.3 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -68.7 | 122.8 | 168.4 | -76.6 | -93.8 | 0 | 0 | 0 | 109.3 | Q70 | Y68-Q70 PolarHBondContact O-N 3.48Å; Y68-Q70 VanDerWaalsContact O-N 3.16Å | ||
| 69 | P | 46.6 | Very low | 49.2 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | -75 | 107.4 | 176.9 | 29.1 | -32.3 | 0 | 0 | 0 | 110.4 | I67 S71 | I67-P69 WeakPolarHBondContact O-CD 3.11Å; P69-S71 PolarHBondContact O-N 3.15Å | ||
| 70 | Q | 37.8 | Very low | 48.1 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -74.1 | 103.9 | 164 | -174.4 | 169 | -6.4 | 0 | 0 | 108.1 | Y68 Q72 | Y68-Q70 PolarHBondContact O-N 3.48Å; Y68-Q70 VanDerWaalsContact O-N 3.16Å; Q70-Q72 PolarHBondContact O-N 3.43Å | ||
| 71 | S | 39.3 | Very low | 47 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -71.9 | 118.2 | -172.1 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | P69 | P69-S71 PolarHBondContact O-N 3.15Š| ||
| 72 | Q | 40.9 | Very low | 45.9 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | -151.3 | 64.2 | 172 | -151.1 | 150.7 | 11.3 | 0 | 0 | 112 | Q70 | Q70-Q72 PolarHBondContact O-N 3.43Š| ||
| 73 | D | 38.1 | Very low | 44.7 | Very low | 145 Ų | 145 | 145.8 Ų | 145.8 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | -86.1 | 123.8 | 178.2 | -87.9 | -55.1 | 0 | 0 | 0 | 112.8 | Y75 | D73-Y75 VanDerWaalsContact C-N 3.33Å; D73-Y75 PolarHBondContact O-N 3.03Å | ||
| 74 | P | 43.5 | Very low | 43.8 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -78.2 | 0.8 | -176.1 | -18.2 | 33.2 | 0 | 0 | 0 | 117.1 | ||
| 75 | Y | 42.6 | Very low | 43 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -117.7 | 34.7 | -165.3 | -78.5 | -79.5 | 0 | 0 | 0 | 115.1 | D73 H77 | D73-Y75 VanDerWaalsContact C-N 3.33Å; D73-Y75 PolarHBondContact O-N 3.03Å; Y75-H77 PolarHBondContact O-N 3.21Å | ||
| 76 | S | 46.3 | Very low | 42.4 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 16.9 | -176.2 | 52.8 | 0 | 0 | 0 | 0 | 116.8 | ||
| 77 | H | 49.1 | Very low | 41.9 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.5 | 18.7 | -170 | 49.4 | -89.3 | 0 | 0 | 0 | 115.4 | Y75 | Y75-H77 PolarHBondContact O-N 3.21Š|
| 78 | V | 45.2 | Very low | 41.6 | Very low | 131 Ų | 131 | 145 Ų | 145 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -101.4 | 109.6 | 163.7 | -86.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 79 | N | 40.4 | Very low | 41.4 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -86.4 | 120.7 | -172.9 | -158.8 | 10.6 | 0 | 0 | 0 | 110.5 | ||||
| 80 | D | 43.2 | Very low | 40.8 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 54% | 0.54 | 77% | 0.766 | S | S | . | * | trans | -89.7 | 118.3 | -177.6 | -170.7 | -16.6 | 0 | 0 | 0 | 111.2 | Y82 | D80-Y82 PolarHBondContact O-N 3.01Å; D80-Y82 PolarHBondContact OD1-N 3.38Å | ||
| 81 | P | 42.9 | Very low | 40.9 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 8.4 | -172.4 | 28.4 | -36.6 | 0 | 0 | 0 | 116.4 | ||
| 82 | Y | 44.5 | Very low | 40.6 | Very low | 204 Ų | 204 | 143 Ų | 143 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 13.6 | 179.7 | -74.1 | -79.6 | 0 | 0 | 0 | 115.7 | D80 L84 | D80-Y82 PolarHBondContact O-N 3.01Å; D80-Y82 PolarHBondContact OD1-N 3.38Å; Y82-L84 PolarHBondContact O-N 2.91Å |
| 83 | S | 42 | Very low | 40.9 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | trans | -75.5 | 105.1 | 179.6 | -61.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 84 | L | 39.2 | Very low | 40.6 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -87.1 | 131 | 174.3 | -78 | 162.9 | 0 | 0 | 0 | 112.1 | Y82 P86 | Y82-L84 PolarHBondContact O-N 2.91Å; L84-P86 WeakPolarHBondContact O-CD 3.39Å | ||
| 85 | N | 37.2 | Very low | 40.2 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -57.2 | 130.8 | 178.5 | -87.4 | -13.4 | 0 | 0 | 0 | 114.1 | ||||
| 86 | P | 41.1 | Very low | 40.4 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -99.6 | 88 | 161.1 | 34.3 | -26.7 | 0 | 0 | 0 | 111.5 | L84 H88 | L84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-H88 PolarHBondContact O-N 3.39Å | ||
| 87 | L | 36.2 | Very low | 39.6 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | trans | -94.6 | 72.5 | 171.9 | -92.9 | 171 | 0 | 0 | 0 | 112 | ||||
| 88 | H | 37.6 | Very low | 38.7 | Very low | 174 Ų | 174 | 147.8 Ų | 147.8 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -170.2 | 119.3 | 147.6 | -127.9 | 100.6 | 0 | 0 | 0 | 111.5 | P86 | P86-H88 PolarHBondContact O-N 3.39Š| ||
| 89 | A | 35.6 | Very low | 38.7 | Very low | 99 Ų | 99 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -127.5 | 116.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 90 | Q | 33.8 | Very low | 38.3 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 135.8 | 173.6 | -95 | -96.9 | -26.6 | 0 | 0 | 110 | ||
| 91 | P | 40.2 | Very low | 37.8 | Very low | 115 Ų | 115 | 148 Ų | 148 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 130.9 | 175.1 | 32.6 | -31.7 | 0 | 0 | 0 | 112.3 | ||
| 92 | Q | 33.4 | Very low | 37.3 | Very low | 192 Ų | 192 | 153.7 Ų | 153.7 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -87 | 157.9 | 171.4 | -113.8 | -179.4 | -34.3 | 0 | 0 | 112 | ||
| 93 | P | 46 | Very low | 36.9 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 165 | -167 | -16.9 | 31.7 | 0 | 0 | 0 | 116.8 | ||
| 94 | Q | 32.5 | Very low | 36.3 | Very low | 192 Ų | 192 | 153 Ų | 153 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 149.1 | -177 | -59.8 | 170.6 | -3.8 | 0 | 0 | 113.4 | ||
| 95 | H | 34.4 | Very low | 36 | Very low | 187 Ų | 187 | 153.7 Ų | 153.7 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -110.6 | 149.1 | 159.3 | -75.8 | -89.7 | 0 | 0 | 0 | 110.2 | ||||
| 96 | P | 46.8 | Very low | 35.7 | Very low | 126 Ų | 126 | 155.3 Ų | 155.3 | 82% | 0.818 | 83% | 0.826 | S | S | * | * | trans | -102 | 140.7 | -160.8 | 36.5 | -34 | 0 | 0 | 0 | 116.6 | ||||
| 97 | G | 29.7 | Very low | 35.3 | Very low | 67 Ų | 67 | 155.3 Ų | 155.3 | 69% | 0.691 | 83% | 0.829 | S | S | * | * | trans | 89.4 | 113.9 | 131 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 98 | W | 30.8 | Very low | 35 | Very low | 262 Ų | 262 | 151 Ų | 151 | 99% | 0.992 | 82% | 0.821 | S | S | * | * | -151.3 | 151.2 | 129.5 | -90.9 | 93.9 | 0 | 0 | 0 | 108.1 | |||||
| 99 | P | 44.3 | Very low | 34.9 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -103.8 | 150.4 | -164.4 | 37.2 | -28.3 | 0 | 0 | 0 | 114 | ||||
| 100 | G | 32.7 | Very low | 34.7 | Very low | 74 Ų | 74 | 151.7 Ų | 151.7 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | trans | -176.3 | 116 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 101 | Q | 33.7 | Very low | 34.6 | Very low | 203 Ų | 203 | 151 Ų | 151 | 95% | 0.949 | 81% | 0.812 | S | S | * | * | trans | 84.3 | 139.1 | 154.7 | -148.6 | 150.8 | -26.2 | 0 | 0 | 119.4 | ||||
| 102 | R | 32.7 | Very low | 34.1 | Very low | 236 Ų | 236 | 150.2 Ų | 150.2 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | trans | -101.2 | 154.3 | -167.2 | -60.6 | 169.7 | 167.2 | -136.1 | 0.3 | 112.2 | ||||
| 103 | Q | 34.1 | Very low | 34 | Very low | 194 Ų | 194 | 149 Ų | 149 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | trans | 140.6 | 147.7 | 145.2 | -84.3 | -179.6 | -17.5 | 0 | 0 | 109.5 | ||||
| 104 | S | 30.7 | Very low | 33.3 | Very low | 94 Ų | 94 | 155 Ų | 155 | 66% | 0.657 | 81% | 0.807 | S | S | * | * | cis | -169.6 | 159.1 | -17.7 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 105 | Q | 33.2 | Very low | 33 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | 74.7 | 149.4 | 160.7 | -83.3 | 168.1 | -12.5 | 0 | 0 | 120.5 | ||||
| 106 | E | 30.2 | Very low | 33.1 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -112.4 | -174.2 | -158.6 | -59.7 | 155.2 | 81.5 | 0 | 0 | 111.9 | ||||
| 107 | S | 31.8 | Very low | 33.7 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | 81.6 | 139.6 | 164.4 | -46.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 108 | G | 31.3 | Very low | 33.8 | Very low | 64 Ų | 64 | 152.2 Ų | 152.2 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | cis | 176.8 | 134.6 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 109 | L | 34.1 | Very low | 33.9 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | 53.1 | 111.7 | 131.7 | -63.4 | 179.6 | 0 | 0 | 0 | 121.4 | ||||
| 110 | L | 32.4 | Very low | 33.4 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | 95.2 | 134.4 | 121.8 | -64.7 | 174.1 | 0 | 0 | 0 | 123.2 | |||||
| 111 | H | 31.5 | Very low | 33.2 | Very low | 155 Ų | 155 | 149.3 Ų | 149.3 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | trans | 68.9 | 102.9 | 141.9 | -69.8 | -46.2 | 0 | 0 | 0 | 123.3 | ||||
| 112 | T | 29.9 | Very low | 33 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 60% | 0.601 | 78% | 0.778 | S | S | * | * | 39.4 | 110.7 | 97.8 | -63.9 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 113 | H | 31 | Very low | 33.1 | Very low | 166 Ų | 166 | 140.8 Ų | 140.8 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | 174.5 | 129.3 | 112.5 | -94.8 | -54.7 | 0 | 0 | 0 | 115.1 | |||||
| 114 | R | 30.9 | Very low | 33.4 | Very low | 244 Ų | 244 | 138.1 Ų | 138.1 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | 54.4 | 119 | 125.9 | -154.6 | -177.1 | -157.1 | 173.5 | 4.8 | 120.9 | |||||
| 115 | G | 27.8 | Very low | 34.3 | Very low | 79 Ų | 79 | 139.1 Ų | 139.1 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | 167.9 | 127.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 116 | L | 34.7 | Very low | 34.5 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -134.2 | 172.1 | 165.8 | -91.2 | 161 | 0 | 0 | 0 | 106.3 | ||||
| 117 | P | 61.3 | Low | 35 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | cis | -128.9 | -163.6 | -33.4 | 39.8 | -23.4 | 0 | 0 | 0 | 111.6 | ||||
| 118 | H | 30.8 | Very low | 35.2 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 133.9 | 153.1 | 159.7 | -81.2 | 66.4 | 0 | 0 | 0 | 111.8 | ||||
| 119 | Q | 32.8 | Very low | 35.5 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 65% | 0.654 | 76% | 0.76 | S | S | * | * | cis | -168.7 | 152.6 | -21.8 | -106.2 | -72 | 41.2 | 0 | 0 | 109 | ||||
| 120 | L | 32.9 | Very low | 35.7 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 71% | 0.707 | 75% | 0.749 | S | S | * | * | trans | 62.3 | 125.6 | 150.3 | -62.2 | 173.3 | 0 | 0 | 0 | 125.8 | ||||
| 121 | S | 29.7 | Very low | 35.9 | Very low | 119 Ų | 119 | 151.6 Ų | 151.6 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | 71.5 | 129.8 | 128.1 | -62.2 | 0 | 0 | 0 | 0 | 124 | |||||
| 122 | G | 30 | Very low | 35.8 | Very low | 82 Ų | 82 | 151.2 Ų | 151.2 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -176.6 | 80.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 123 | L | 33.3 | Very low | 36.2 | Very low | 179 Ų | 179 | 153.8 Ų | 153.8 | 94% | 0.937 | 76% | 0.762 | S | S | * | * | trans | -8.2 | 140.9 | 168.1 | -61 | 167.7 | 0 | 0 | 0 | 122.3 | ||||
| 124 | D | 41.1 | Very low | 36.4 | Very low | 138 Ų | 138 | 153 Ų | 153 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -93.1 | 155.7 | 167.7 | 167.9 | 51.3 | 0 | 0 | 0 | 112.8 | R126 | D124-R126 PolarHBondContact OD2-N 3.1Š| ||
| 125 | P | 49.3 | Very low | 36.8 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | trans | -132.6 | 98.4 | 151.4 | 33 | -15.4 | 0 | 0 | 0 | 115.5 | ||||
| 126 | R | 38.3 | Very low | 37.2 | Very low | 207 Ų | 207 | 149.6 Ų | 149.6 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | 44.7 | 137.8 | 123.9 | -67.1 | -176 | 170.3 | 135 | -1.2 | 119.5 | D124 | D124-R126 PolarHBondContact OD2-N 3.1Š| |||
| 127 | R | 40.3 | Very low | 37.1 | Very low | 216 Ų | 216 | 149.7 Ų | 149.7 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | -168.5 | 125.3 | 67.3 | -128.1 | 149.1 | -177 | -142.3 | 1.2 | 110.2 | |||||
| 128 | D | 36 | Very low | 35.7 | Very low | 109 Ų | 109 | 148.5 Ų | 148.5 | 58% | 0.583 | 74% | 0.744 | S | S | * | * | 69.5 | 147.9 | 99 | -61.9 | -23.3 | 0 | 0 | 0 | 114.6 | |||||
| 129 | Y | 37.4 | Very low | 36.5 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | cis | -165.2 | 165 | -2.9 | -125.5 | -148.8 | 0 | 0 | 0 | 106.3 | ||||
| 130 | R | 38.7 | Very low | 36.5 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 59% | 0.592 | 75% | 0.749 | S | S | * | * | cis | -160.8 | 168.4 | -6.2 | -145.2 | -167.9 | -158.6 | -154.9 | 5.3 | 108.3 | H132 | R130-H132 PolarHBondContact NH1-CE1 3.32Å; R130-H132 PolarHBondContact NH1-NE2 3.12Å | ||
| 131 | R | 35.8 | Very low | 36.3 | Very low | 234 Ų | 234 | 145 Ų | 145 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | trans | -95.9 | 169.5 | 147.1 | -89.2 | -176.3 | 178.9 | 157.3 | -1.8 | 108.6 | ||||
| 132 | H | 30.8 | Very low | 36.6 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | trans | -120.7 | 138.5 | 159.5 | -116.7 | -92.1 | 0 | 0 | 0 | 111.1 | R130 | R130-H132 PolarHBondContact NH1-CE1 3.32Å; R130-H132 PolarHBondContact NH1-NE2 3.12Å | ||
| 133 | E | 38.2 | Very low | 36.6 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -98.1 | 172.4 | 164.5 | -63.5 | -169.6 | 128.3 | 0 | 0 | 109.7 | ||||
| 134 | D | 35.3 | Very low | 36.8 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 75% | 0.747 | S | S | * | * | trans | -150.5 | 103.3 | 136 | -87.5 | -42.1 | 0 | 0 | 0 | 111 | ||||
| 135 | L | 37.5 | Very low | 36.3 | Very low | 126 Ų | 126 | 144 Ų | 144 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | 19.1 | 150.2 | 116.2 | -60.2 | 177.7 | 0 | 0 | 0 | 118.3 | |||||
| 136 | L | 36.7 | Very low | 35.8 | Very low | 125 Ų | 125 | 147.7 Ų | 147.7 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | cis | -173.7 | 175.5 | 18.2 | -123.7 | 166.4 | 0 | 0 | 0 | 112.3 | ||||
| 137 | H | 33.6 | Very low | 35.5 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | trans | 94.1 | 127 | 161.4 | -57.3 | 104.9 | 0 | 0 | 0 | 121.2 | ||||
| 138 | G | 30.4 | Very low | 35.1 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | -111.5 | -138.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 139 | P | 47.9 | Very low | 35 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | cis | -133.8 | -166.5 | -14.1 | 27.1 | -1.8 | 0 | 0 | 0 | 113.8 | ||||
| 140 | H | 32.8 | Very low | 34.7 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | trans | 74.2 | 154.2 | 172.5 | -49.4 | -75.4 | 0 | 0 | 0 | 117.1 | ||||
| 141 | A | 28.2 | Very low | 34.7 | Very low | 84 Ų | 84 | 134.7 Ų | 134.7 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | cis | -163.5 | 158.9 | -23.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 142 | L | 36 | Very low | 34.7 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | 19.4 | 127.4 | 156.1 | -53.2 | 174.3 | 0 | 0 | 0 | 121.5 | ||||
| 143 | S | 30.6 | Very low | 34.6 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | -178.3 | 146.1 | 117.1 | -167.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 144 | S | 37.1 | Very low | 34.4 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -77.3 | 164.6 | 161.9 | -52.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 145 | G | 31.6 | Very low | 34.8 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | 177.2 | 128.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 146 | L | 37.8 | Very low | 34.5 | Very low | 191 Ų | 191 | 131.3 Ų | 131.3 | 100% | 1 | 78% | 0.783 | S | S | * | * | trans | -94.5 | 166.3 | 178.5 | -84.8 | 145.6 | 0 | 0 | 0 | 113.1 | ||||
| 147 | G | 31.9 | Very low | 34.2 | Very low | 72 Ų | 72 | 130.1 Ų | 130.1 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 129.8 | 115.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 148 | D | 33.3 | Very low | 34.3 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | cis | 102 | 144.4 | 31.6 | -165.7 | 28.7 | 0 | 0 | 0 | 113.6 | ||||
| 149 | L | 33.1 | Very low | 34.4 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | 71 | 153.3 | 172.8 | -48.4 | 177.1 | 0 | 0 | 0 | 118.7 | ||||
| 150 | S | 31.8 | Very low | 33.5 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | cis | -168 | 144.1 | -30.3 | -102.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 151 | I | 38.3 | Very low | 33.7 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | trans | 12.9 | 130.3 | 142.6 | -58.8 | 172.1 | 0 | 0 | 0 | 120.8 | ||||
| 152 | H | 35.6 | Very low | 34.2 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -164.3 | 127.4 | 135.4 | -96.4 | -83.1 | 0 | 0 | 0 | 107 | ||||
| 153 | S | 28.5 | Very low | 33.9 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | cis | 99.3 | 122.7 | 39.9 | -67.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 154 | L | 33.4 | Very low | 34.3 | Very low | 160 Ų | 160 | 136.2 Ų | 136.2 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -51.6 | -179.3 | 179.8 | -85.8 | 73.2 | 0 | 0 | 0 | 116.6 | ||||
| 155 | P | 44.2 | Very low | 34 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | cis | -142.4 | -179.6 | 11.1 | 27.7 | -1 | 0 | 0 | 0 | 119.4 | ||||
| 156 | H | 32.4 | Very low | 34.4 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | 16.7 | 143.6 | 150.9 | -68.8 | 1.4 | 0 | 0 | 0 | 124.5 | ||||
| 157 | A | 29.1 | Very low | 34.7 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | -171.1 | 149.2 | 112.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 158 | I | 35.6 | Very low | 34.6 | Very low | 153 Ų | 153 | 139 Ų | 139 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -58.8 | 151.5 | -178.7 | 37.4 | 170.1 | 0 | 0 | 0 | 120.7 | ||||
| 159 | E | 33.1 | Very low | 34.8 | Very low | 179 Ų | 179 | 139.6 Ų | 139.6 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 64.5 | 129.1 | 130.9 | -163.6 | 163.7 | -136.2 | 0 | 0 | 123 | ||||
| 160 | E | 28.8 | Very low | 34.8 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | 171.5 | 158 | 116.4 | -168.3 | 159.8 | -148.8 | 0 | 0 | 112.4 | |||||
| 161 | V | 36.6 | Very low | 35.2 | Very low | 130 Ų | 130 | 142.2 Ų | 142.2 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | -132.2 | 134 | -177.6 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 162 | P | 40.3 | Very low | 35.5 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -136.1 | 132.2 | 136.3 | 26.5 | -8.7 | 0 | 0 | 0 | 111.7 | ||||
| 163 | H | 29.9 | Very low | 35.4 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | 81 | 100.8 | 68.9 | -155.6 | 79.5 | 0 | 0 | 0 | 115.5 | |||||
| 164 | V | 36.9 | Very low | 35.6 | Very low | 109 Ų | 109 | 143 Ų | 143 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | trans | 52.7 | 123 | 141.8 | -176.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 165 | E | 32.6 | Very low | 35.7 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | -169.1 | 143 | 111.3 | -98.2 | -173.9 | 153.1 | 0 | 0 | 111.6 | |||||
| 166 | D | 38.3 | Very low | 35.1 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -102.4 | 137 | 163.9 | 171.8 | 42.5 | 0 | 0 | 0 | 106.9 | ||||
| 167 | P | 44 | Very low | 35.3 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | -150.1 | 155.4 | 113.7 | 36.8 | -21.4 | 0 | 0 | 0 | 114.9 | |||||
| 168 | G | 30.3 | Very low | 35.6 | Very low | 69 Ų | 69 | 143.5 Ų | 143.5 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | 157.3 | 77.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118 | N170 | G168-N170 PolarHBondContact O-N 3.09Š| ||
| 169 | I | 38.4 | Very low | 35.6 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 80% | 0.795 | 78% | 0.782 | S | S | * | * | trans | -63.6 | 129.9 | 162.7 | -67.2 | 165.5 | 0 | 0 | 0 | 109.6 | ||||
| 170 | N | 32.7 | Very low | 35.5 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | -149.7 | 132.8 | 152.1 | -124.9 | -97 | 0 | 0 | 0 | 112.5 | G168 | G168-N170 PolarHBondContact O-N 3.09Š| ||
| 171 | I | 39.9 | Very low | 36.5 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | trans | -115.7 | 138.9 | 175.5 | -61.5 | 165 | 0 | 0 | 0 | 106.2 | ||||
| 172 | P | 45.3 | Very low | 36.3 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | -130 | 149.2 | 126.8 | 11.6 | 8.8 | 0 | 0 | 0 | 113 | |||||
| 173 | D | 33.5 | Very low | 36.2 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -114.7 | 174.9 | 175.8 | -173.9 | 16.7 | 0 | 0 | 0 | 109.6 | ||||
| 174 | Q | 33 | Very low | 36.3 | Very low | 167 Ų | 167 | 138.9 Ų | 138.9 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | 77.8 | 142 | -176.9 | -43.4 | 179.3 | 18.8 | 0 | 0 | 114 | ||||
| 175 | T | 34.9 | Very low | 36.1 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | cis | -144.1 | 128 | 20.3 | 50.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 176 | V | 30.7 | Very low | 36 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | 72.5 | 108.3 | 89.5 | 177 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 177 | I | 37.8 | Very low | 35.6 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | trans | 93.2 | 113.7 | 143.1 | -72.8 | 171.8 | 0 | 0 | 0 | 124.4 | ||||
| 178 | K | 35.5 | Very low | 34.9 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | 41.4 | 122.3 | 139.6 | -55.5 | 174.5 | -175.9 | 172.2 | 0 | 122.6 | ||||
| 179 | K | 34.5 | Very low | 35 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | 179.8 | 156.9 | 102.7 | -96.2 | 171.5 | -178.1 | 177.8 | 0 | 111.2 | |||||
| 180 | G | 31.3 | Very low | 34.9 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | trans | -92.9 | -148.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 181 | P | 49.5 | Very low | 35 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | -121.8 | 147.7 | -78.5 | 37 | -30.2 | 0 | 0 | 0 | 112.5 | |||||
| 182 | V | 32.5 | Very low | 35 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | trans | -147.2 | 129.4 | 167.3 | -157 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 183 | S | 38 | Very low | 34.4 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -78.9 | 140.9 | 168.1 | -64 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 184 | L | 31.7 | Very low | 34.7 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -142.1 | 131.5 | 160 | -101.4 | 145.2 | 0 | 0 | 0 | 110 | ||||
| 185 | S | 33.4 | Very low | 35.1 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -106.7 | 138.7 | -171.7 | 49.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 186 | K | 31.5 | Very low | 35.1 | Very low | 205 Ų | 205 | 133.4 Ų | 133.4 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -178.3 | 130.9 | 136.1 | -105.1 | 163.5 | -177.9 | 177.4 | 0 | 113.9 | ||||
| 187 | S | 28.9 | Very low | 35.7 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 52.1 | 115.3 | 134.3 | -170.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 188 | N | 28.7 | Very low | 35.4 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | -164.3 | -177.9 | 84.9 | -150 | 7.8 | 0 | 0 | 0 | 112.7 | |||||
| 189 | S | 34.3 | Very low | 35.5 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 59% | 0.587 | 80% | 0.798 | S | S | * | * | trans | -73.5 | 169.5 | -167.6 | 50.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 190 | N | 34.7 | Very low | 35.6 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | 67.8 | 85.9 | 160 | -65 | -2.2 | 0 | 0 | 0 | 118.9 | ||||
| 191 | A | 34.7 | Very low | 35.5 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | -141.1 | 126.7 | 146.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 192 | V | 40.9 | Very low | 35.4 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 89% | 0.885 | 80% | 0.798 | S | S | * | * | trans | -66.7 | 133.3 | 168 | -180 | 0 | 0 | 0 | 0 | 107.7 | A194 | V192-A194 VanDerWaalsContact C-N 3.33Å; V192-A194 PolarHBondContact O-N 3.45Å | ||
| 193 | S | 33.4 | Very low | 35.8 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -65.2 | 81.6 | -169 | -49.4 | 0 | 0 | 0 | 0 | 114.1 | I195 | S193-I195 PolarHBondContact O-N 3.34Š| ||
| 194 | A | 38.6 | Very low | 36 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | -61.7 | 120.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | V192 P196 | V192-A194 VanDerWaalsContact C-N 3.33Å; V192-A194 PolarHBondContact O-N 3.45Å; A194-P196 VanDerWaalsContact O-CD 3.28Å; A194-P196 WeakPolarHBondContact O-CD 3.43Å | ||
| 195 | I | 42.1 | Very low | 36.7 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -65.2 | 118.6 | 178.6 | -62.3 | 175.7 | 0 | 0 | 0 | 107.8 | S193 I197 | S193-I195 PolarHBondContact O-N 3.34Å; I195-I197 PolarHBondContact O-N 3.09Å; I195-I197 VanDerWaalsContact O-N 3.13Å | ||
| 196 | P | 34.9 | Very low | 37.6 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | trans | -70.2 | 114 | 171.5 | 25.8 | -25.5 | 0 | 0 | 0 | 107.8 | A194 N198 | A194-P196 VanDerWaalsContact O-CD 3.28Å; A194-P196 WeakPolarHBondContact O-CD 3.43Å; P196-N198 PolarHBondContact O-N 2.89Å | ||
| 197 | I | 43.8 | Very low | 39.5 | Very low | 159 Ų | 159 | 127.3 Ų | 127.3 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | trans | -64.3 | 102.9 | 168.8 | -64.8 | 174.4 | 0 | 0 | 0 | 106.4 | I195 K199 | I195-I197 PolarHBondContact O-N 3.09Å; I195-I197 VanDerWaalsContact O-N 3.13Å; I197-K199 PolarHBondContact O-N 2.74Å | ||
| 198 | N | 30 | Very low | 42.2 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -68.1 | 106.5 | 179.9 | -154.2 | -8.1 | 0 | 0 | 0 | 108.1 | P196 D200 | P196-N198 PolarHBondContact O-N 2.89Å; N198-D200 PolarHBondContact O-N 3.11Å | ||
| 199 | K | 38.1 | Very low | 44.9 | Very low | 191 Ų | 191 | 121.8 Ų | 121.8 | 83% | 0.83 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -82.8 | 47 | -168.3 | -165.8 | -166.2 | 169.4 | -178.6 | 0 | 111.7 | I197 | I197-K199 PolarHBondContact O-N 2.74Š|
| 200 | D | 35.9 | Very low | 47.4 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 77% | 0.765 | 71% | 0.712 | S | S | * | * | trans | -145.4 | 58.5 | -178.3 | -81.4 | -52.5 | 0 | 0 | 0 | 111.7 | N198 | N198-D200 PolarHBondContact O-N 3.11Š| ||
| 201 | N | 30.7 | Very low | 50.1 | Low | 160 Ų | 160 | 118.7 Ų | 118.7 | 86% | 0.856 | 69% | 0.693 | S | S | * | * | trans | -139.3 | 68.7 | 166.1 | -113.6 | 113.1 | 0 | 0 | 0 | 110.8 | F203 | N201-F203 PolarHBondContact O-N 3.44Š| ||
| 202 | L | 46.4 | Very low | 53 | Low | 162 Ų | 162 | 116.9 Ų | 116.9 | 85% | 0.848 | 67% | 0.672 | S | S | * | * | trans | -66.5 | 93 | 170.4 | 178.3 | 67.4 | 0 | 0 | 0 | 110 | ||||
| 203 | F | 41.8 | Very low | 55.6 | Low | 199 Ų | 199 | 111.8 Ų | 111.8 | 87% | 0.873 | 64% | 0.638 | S | S | * | * | trans | 167.5 | 122.1 | 141.6 | -108 | -85.2 | 0 | 0 | 0 | 110 | N201 | N201-F203 PolarHBondContact O-N 3.44Š| ||
| 204 | G | 40.8 | Very low | 58.5 | Low | 61 Ų | 61 | 108.2 Ų | 108.2 | 63% | 0.629 | 61% | 0.613 | S | S | * | * | trans | 140.6 | 112.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 205 | G | 46.3 | Very low | 61.3 | Low | 61 Ų | 61 | 107.4 Ų | 107.4 | 63% | 0.629 | 60% | 0.602 | S | S | * | * | trans | -61.5 | 142.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V207 | G205-V207 WeakPolarHBondContact O-CG2 3.38Å; G205-V207 PolarHBondContact O-N 2.97Å | ||
| 206 | V | 53.1 | Low | 63.8 | Low | 154 Ų | 154 | 100.4 Ų | 100.4 | 93% | 0.933 | 57% | 0.566 | S | S | * | * | trans | -67.1 | 98.6 | 172.9 | -179 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 207 | V | 71.8 | Confident | 66.6 | Low | 35 Ų | 35 | 98.2 Ų | 98.2 | 21% | 0.212 | 55% | 0.551 | C | S | . | * | trans | -78.2 | 138.5 | -179.8 | -174.3 | 0 | 0 | 0 | 0 | 110 | G205 P209 E211 V233 I274 | G205-V207 WeakPolarHBondContact O-CG2 3.38Å; G205-V207 PolarHBondContact O-N 2.97Å; V207-P209 WeakPolarHBondContact O-CD 3.23Å; V207-E211 WeakPolarHBondContact CG1-OE2 3.42Å; V207-V233 HydrophobicContact CG1-CG2 4.24Å; V207-I274 HydrophobicContact CB-CB 4.35Å; V207-I274 HydrophobicContact CG1-CB 4.15Å; V207-I274 HydrophobicContact CG1-CG2 4.34Å; V207-I274 HydrophobicContact CG2-CB 3.91Å; V207-I274 HydrophobicContact CG2-CG2 4.45Å; V207-I274 WeakPolarHBondContact CG2-O 3.45Å | ||
| 208 | N | 84.5 | Confident | 69 | Low | 87 Ų | 87 | 91.3 Ų | 91.3 | 47% | 0.465 | 52% | 0.52 | S | S | . | . | trans | -63.5 | 118 | -179.5 | -176.7 | -6.8 | 0 | 0 | 0 | 109.2 | N210 E211 | N208-N210 PolarHBondContact O-N 2.98Å; N208-N210 VanDerWaalsContact OD1-CB 3.3Å; N208-N210 WeakPolarHBondContact OD1-CB 3.49Å; N208-N210 PolarHBondContact OD1-N 3.4Å; N208-N210 VanDerWaalsContact OD1-N 3.11Å; N208-N210 PolarHBondContact OD1-ND2 3.26Å; N208-E211 HydrophobicContact CB-CB 4.38Å; N208-E211 VanDerWaalsContact O-CB 3.23Å; N208-E211 WeakPolarHBondContact O-CB 3.4Å; N208-E211 PolarHBondContact O-N 3.34Å | ||
| 209 | P | 85.9 | Confident | 72 | Confident | 54 Ų | 54 | 89.4 Ų | 89.4 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.9 | -178.5 | 24.1 | -34.2 | 0 | 0 | 0 | 112.6 | V207 E211 A234 | V207-P209 WeakPolarHBondContact O-CD 3.23Å; P209-E211 VanDerWaalsContact C-N 3.32Å; P209-A234 HydrophobicContact CB-CB 4.09Å; P209-A234 VanDerWaalsContact O-CB 3.28Å; P209-A234 WeakPolarHBondContact O-CB 3.39Å; P209-A234 PolarHBondContact O-N 3.37Å |
| 210 | N | 86.8 | Confident | 74.5 | Confident | 78 Ų | 78 | 85.9 Ų | 85.9 | 42% | 0.417 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -9.1 | 178 | -51.8 | -51.5 | 0 | 0 | 0 | 113.5 | N208 N363 | N208-N210 PolarHBondContact O-N 2.98Å; N208-N210 VanDerWaalsContact OD1-CB 3.3Å; N208-N210 WeakPolarHBondContact OD1-CB 3.49Å; N208-N210 PolarHBondContact OD1-N 3.4Å; N208-N210 VanDerWaalsContact OD1-N 3.11Å; N208-N210 PolarHBondContact OD1-ND2 3.26Å; N210-N363 WeakPolarHBondContact OD1-CB 3.29Å; N210-N363 PolarHBondContact OD1-ND2 3.24Å; N210-N363 VanDerWaalsContact OD1-ND2 3.16Å |
| 211 | E | 92.3 | Very high | 76.9 | Confident | 99 Ų | 99 | 80.7 Ų | 80.7 | 46% | 0.463 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -64.4 | 143.4 | 178.9 | -171.4 | 177.4 | 162.6 | 0 | 0 | 111.1 | V207 N208 P209 F213 T232 V233 | V207-E211 WeakPolarHBondContact CG1-OE2 3.42Å; N208-E211 HydrophobicContact CB-CB 4.38Å; N208-E211 VanDerWaalsContact O-CB 3.23Å; N208-E211 WeakPolarHBondContact O-CB 3.4Å; N208-E211 PolarHBondContact O-N 3.34Å; P209-E211 VanDerWaalsContact C-N 3.32Å; E211-F213 PolarHBondContact O-N 2.92Å; E211-T232 CarbonylContact O-C 3.49Å; E211-T232 VanDerWaalsContact O-CA 3.23Å; E211-T232 WeakPolarHBondContact O-CA 3.46Å; E211-V233 HydrophobicContact CB-CG2 4.03Å; E211-V233 PolarHBondContact O-N 3.3Å |
| 212 | V | 94.4 | Very high | 79.5 | Confident | 58 Ų | 58 | 79.3 Ų | 79.3 | 35% | 0.352 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 108.5 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | C214 K230 V231 | V212-C214 VanDerWaalsContact CG1-O 3.31Å; V212-C214 WeakPolarHBondContact CG1-O 3.38Å; V212-K230 HydrophobicContact CG1-CB 3.98Å; V212-K230 HydrophobicContact CG1-CG 4.15Å; V212-K230 HydrophobicContact CG2-CB 4.05Å; V212-K230 HydrophobicContact CG2-CD 3.92Å; V212-K230 HydrophobicContact CG2-CG 4.12Å; V212-V231 CarbonylContact C-O 3.33Å |
| 213 | F | 95.1 | Very high | 81.1 | Confident | 40 Ų | 40 | 79.7 Ų | 79.7 | 18% | 0.175 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | -41.6 | 176.8 | -178.2 | -109.7 | 0 | 0 | 0 | 112.1 | E211 V231 V233 V236 L255 L267 K270 L271 I274 | E211-F213 PolarHBondContact O-N 2.92Å; F213-V231 PolarHBondContact N-O 3.02Å; F213-V233 HydrophobicContact CB-CG2 4.41Å; F213-V236 HydrophobicContact CB-CG2 4.14Å; F213-V236 HydrophobicContact CD1-CG2 3.81Å; F213-V236 HydrophobicContact CE1-CG2 4.47Å; F213-V236 HydrophobicContact CG-CG2 4.05Å; F213-L255 HydrophobicContact CD1-CD1 4.29Å; F213-L255 HydrophobicContact CD1-CD2 4.21Å; F213-L255 HydrophobicContact CE1-CD1 3.75Å; F213-L255 HydrophobicContact CE1-CD2 4.48Å; F213-L267 HydrophobicContact CE1-CD1 4.23Å; F213-L267 HydrophobicContact CZ-CD1 4.15Å; F213-K270 HydrophobicContact CE2-CB 4.35Å; F213-K270 HydrophobicContact CZ-CB 4.21Å; F213-L271 HydrophobicContact CE1-CD2 4.42Å; F213-L271 HydrophobicContact CE2-CD2 3.98Å; F213-L271 HydrophobicContact CZ-CD2 3.75Å; F213-L271 HydrophobicContact CZ-CG 4.34Å; F213-I274 HydrophobicContact CD2-CD1 3.53Å; F213-I274 HydrophobicContact CE2-CD1 3.71Å; F213-I274 HydrophobicContact CE2-CG1 4.39Å |
| 214 | C | 95.5 | Very high | 82.9 | Confident | 38 Ų | 38 | 75.6 Ų | 75.6 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 168.8 | 166.3 | 67.4 | 0 | 0 | 0 | 0 | 111.3 | V212 V231 | V212-C214 VanDerWaalsContact CG1-O 3.31Å; V212-C214 WeakPolarHBondContact CG1-O 3.38Å; C214-V231 PolarHBondContact N-O 3.45Å; C214-V231 PolarHBondContact O-N 2.82Å |
| 215 | S | 96.6 | Very high | 84.7 | Confident | 73 Ų | 73 | 76.4 Ų | 76.4 | 51% | 0.51 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.7 | 163.4 | -62.4 | 0 | 0 | 0 | 0 | 109.8 | Y229 | S215-Y229 CarbonylContact C-O 3.57Å; S215-Y229 VanDerWaalsContact CA-O 3.31Å; S215-Y229 WeakPolarHBondContact CA-O 3.46Å |
| 216 | V | 95.8 | Very high | 86.3 | Confident | 3 Ų | 3 | 77.5 Ų | 77.5 | 2% | 0.018 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.5 | 176.7 | -59.4 | 0 | 0 | 0 | 0 | 110.1 | K228 Y229 V231 R256 V295 | V216-K228 CarbonylContact O-C 3.59Å; V216-K228 VanDerWaalsContact O-CA 3.31Å; V216-K228 WeakPolarHBondContact O-CA 3.44Å; V216-Y229 PolarHBondContact N-O 3.43Å; V216-Y229 PolarHBondContact O-N 2.94Å; V216-V231 HydrophobicContact CG1-CG2 4.04Å; V216-V231 HydrophobicContact CG2-CG2 3.98Å; V216-R256 HydrophobicContact CB-CG 4.47Å; V216-V295 HydrophobicContact CG2-CG1 4.1Å; V216-V295 HydrophobicContact CG2-CG2 3.96Å |
| 217 | P | 93.6 | Very high | 87.9 | Confident | 66 Ų | 66 | 72.4 Ų | 72.4 | 43% | 0.429 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 165 | 166.7 | 27.4 | -35.6 | 0 | 0 | 0 | 110.8 | S227 R256 | P217-S227 CarbonylContact C-O 3.11Å; P217-S227 WeakPolarHBondContact CA-O 3.31Å; P217-R256 PolarHBondContact O-NE 3.36Å; P217-R256 VanDerWaalsContact O-NE 3.08Å; P217-R256 PolarHBondContact O-NH1 3.33Å; P217-R256 PolarHBondContact O-NH2 3.35Å |
| 218 | G | 93.4 | Very high | 88.9 | Confident | 14 Ų | 14 | 78.7 Ų | 78.7 | 14% | 0.144 | 44% | 0.443 | C | S | . | . | trans | -76.2 | 152.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S227 R256 E298 | G218-S227 PolarHBondContact N-O 3.17Å; G218-R256 PolarHBondContact O-NH1 2.98Å; G218-E298 WeakPolarHBondContact CA-OE1 3.38Å | ||
| 219 | R | 92.6 | Very high | 89.5 | Confident | 101 Ų | 101 | 76 Ų | 76 | 38% | 0.381 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -87 | -37.3 | 173 | -71.7 | -160.5 | -161.1 | -86.4 | -5.9 | 110.8 | S221 G253 R256 S293 E298 | R219-S221 VanDerWaalsContact C-N 3.34Å; R219-G253 PolarHBondContact NH2-O 3.32Å; R219-R256 VanDerWaalsContact CG-CZ 3.49Å; R219-S293 VanDerWaalsContact CZ-O 3.26Å; R219-S293 PolarHBondContact NE-O 3.16Å; R219-S293 PolarHBondContact NH2-O 2.91Å; R219-E298 PolarHBondContact N-OE1 3.47Å |
| 220 | L | 90.5 | Very high | 89.9 | Confident | 117 Ų | 117 | 80.6 Ų | 80.6 | 61% | 0.613 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -94.2 | 5.3 | -177.5 | -52.2 | -179.5 | 0 | 0 | 0 | 112 | L294 L302 | L220-L294 HydrophobicContact CD1-CD2 4.32Å; L220-L302 HydrophobicContact CD1-CD1 4.04Å; L220-L302 HydrophobicContact CD1-CD2 4.07Å; L220-L302 HydrophobicContact CD1-CG 4.5Å |
| 221 | S | 86.6 | Confident | 90.4 | Very high | 34 Ų | 34 | 76.9 Ų | 76.9 | 24% | 0.238 | 42% | 0.421 | C | S | . | . | trans | -80.3 | 131.2 | 176.7 | -69.8 | 0 | 0 | 0 | 0 | 111.4 | R219 S225 S227 | R219-S221 VanDerWaalsContact C-N 3.34Å; S221-S225 WeakPolarHBondContact CB-O 3.19Å; S221-S225 PolarHBondContact OG-O 3.43Å; S221-S227 WeakPolarHBondContact OG-CB 3.31Å; S221-S227 PolarHBondContact OG-N 3.3Å | ||
| 222 | L | 86.4 | Confident | 90.5 | Very high | 132 Ų | 132 | 73.1 Ų | 73.1 | 69% | 0.691 | 41% | 0.405 | S | S | * | . | trans | -77.6 | 160.7 | 166.9 | -60.8 | 179 | 0 | 0 | 0 | 110.8 | S224 S225 T226 | L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.03Å; L222-S225 CarbonylContact O-C 3.44Å; L222-S225 VanDerWaalsContact O-C 3.25Å; L222-S225 PolarHBondContact O-N 3.32Å; L222-T226 PolarHBondContact O-N 3.26Å | ||
| 223 | L | 80.3 | Confident | 90.5 | Very high | 169 Ų | 169 | 70.5 Ų | 70.5 | 89% | 0.885 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -51.6 | -46.4 | -173.2 | -64.7 | 171.7 | 0 | 0 | 0 | 113.3 | S225 T226 | L223-S225 VanDerWaalsContact C-N 3.3Å; L223-S225 PolarHBondContact O-N 2.88Å; L223-T226 PolarHBondContact O-OG1 3.31Å |
| 224 | S | 78.1 | Confident | 90.4 | Very high | 114 Ų | 114 | 68.7 Ų | 68.7 | 80% | 0.797 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -71.6 | -19.4 | 178.9 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | L222 | L222-S224 VanDerWaalsContact C-N 3.32Å; L222-S224 PolarHBondContact O-N 3.03Å |
| 225 | S | 78.6 | Confident | 90.5 | Very high | 77 Ų | 77 | 67 Ų | 67 | 54% | 0.538 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -121.8 | 46.7 | -175.5 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | S221 L222 L223 S227 | S221-S225 WeakPolarHBondContact CB-O 3.19Å; S221-S225 PolarHBondContact OG-O 3.43Å; L222-S225 CarbonylContact O-C 3.44Å; L222-S225 VanDerWaalsContact O-C 3.25Å; L222-S225 PolarHBondContact O-N 3.32Å; L223-S225 VanDerWaalsContact C-N 3.3Å; L223-S225 PolarHBondContact O-N 2.88Å; S225-S227 PolarHBondContact O-N 3.11Å |
| 226 | T | 81 | Confident | 90.4 | Very high | 85 Ų | 85 | 63.6 Ų | 63.6 | 52% | 0.521 | 35% | 0.346 | S | S | . | . | trans | -69.5 | 90.6 | -177.4 | -64.1 | 0 | 0 | 0 | 0 | 111.1 | L222 L223 | L222-T226 PolarHBondContact O-N 3.26Å; L223-T226 PolarHBondContact O-OG1 3.31Å | ||
| 227 | S | 86.8 | Confident | 90.3 | Very high | 47 Ų | 47 | 68 Ų | 68 | 33% | 0.329 | 37% | 0.366 | S | S | . | . | trans | -71.2 | 144.8 | 172.3 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | P217 G218 S221 S225 | P217-S227 CarbonylContact C-O 3.11Å; P217-S227 WeakPolarHBondContact CA-O 3.31Å; G218-S227 PolarHBondContact N-O 3.17Å; S221-S227 WeakPolarHBondContact OG-CB 3.31Å; S221-S227 PolarHBondContact OG-N 3.3Å; S225-S227 PolarHBondContact O-N 3.11Å | ||
| 228 | K | 93 | Very high | 90.3 | Very high | 167 Ų | 167 | 65.7 Ų | 65.7 | 73% | 0.726 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.1 | 168.3 | -70.3 | 177.3 | -176.5 | 169.1 | 0 | 109.5 | V216 | V216-K228 CarbonylContact O-C 3.59Å; V216-K228 VanDerWaalsContact O-CA 3.31Å; V216-K228 WeakPolarHBondContact O-CA 3.44Å |
| 229 | Y | 95.3 | Very high | 90.3 | Very high | 31 Ų | 31 | 65.1 Ų | 65.1 | 12% | 0.122 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.2 | -178.1 | -66.7 | -83.8 | 0 | 0 | 0 | 110.4 | S215 V216 V295 G297 E298 H301 | S215-Y229 CarbonylContact C-O 3.57Å; S215-Y229 VanDerWaalsContact CA-O 3.31Å; S215-Y229 WeakPolarHBondContact CA-O 3.46Å; V216-Y229 PolarHBondContact N-O 3.43Å; V216-Y229 PolarHBondContact O-N 2.94Å; Y229-V295 HydrophobicContact CG-CG2 4.27Å; Y229-G297 VanDerWaalsContact CD1-C 3.43Å; Y229-G297 VanDerWaalsContact CE1-C 3.47Å; Y229-G297 WeakPolarHBondContact CE1-O 3.29Å; Y229-E298 HydrophobicContact CD1-CG 4.05Å; Y229-E298 HydrophobicContact CD2-CG 3.46Å; Y229-E298 VanDerWaalsContact CD2-CG 3.46Å; Y229-E298 HydrophobicContact CE1-CG 4.04Å; Y229-E298 HydrophobicContact CE2-CG 3.47Å; Y229-E298 VanDerWaalsContact CE2-CG 3.47Å; Y229-E298 HydrophobicContact CG-CG 3.76Å; Y229-H301 HydrophobicContact CE1-CB 4.4Å; Y229-H301 AromaticContact CE1-CE1 3.91Å; Y229-H301 AromaticContact CE1-CG 3.91Å; Y229-H301 AromaticContact CE1-ND1 3.46Å; Y229-H301 WeakPolarHBondContact CE1-ND1 3.5Å; Y229-H301 AromaticContact CZ-ND1 3.81Å; Y229-H301 PolarHBondContact OH-ND1 3.43Å |
| 230 | K | 95.6 | Very high | 90.3 | Very high | 149 Ų | 149 | 60.9 Ų | 60.9 | 65% | 0.648 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 123.3 | 173.7 | -66.8 | 173.3 | 176.7 | 178.9 | 0 | 108.6 | V212 | V212-K230 HydrophobicContact CG1-CB 3.98Å; V212-K230 HydrophobicContact CG1-CG 4.15Å; V212-K230 HydrophobicContact CG2-CB 4.05Å; V212-K230 HydrophobicContact CG2-CD 3.92Å; V212-K230 HydrophobicContact CG2-CG 4.12Å |
| 231 | V | 96.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 119.4 | 171.6 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | V212 F213 C214 V216 E235 V236 L255 V295 | V212-V231 CarbonylContact C-O 3.33Å; F213-V231 PolarHBondContact N-O 3.02Å; C214-V231 PolarHBondContact N-O 3.45Å; C214-V231 PolarHBondContact O-N 2.82Å; V216-V231 HydrophobicContact CG1-CG2 4.04Å; V216-V231 HydrophobicContact CG2-CG2 3.98Å; V231-E235 HydrophobicContact CG1-CB 4.33Å; V231-E235 HydrophobicContact CG1-CG 4.21Å; V231-V236 HydrophobicContact CG1-CG2 3.85Å; V231-L255 HydrophobicContact CB-CD2 4.31Å; V231-L255 HydrophobicContact CG1-CD2 3.82Å; V231-L255 HydrophobicContact CG2-CD2 4.36Å; V231-V295 HydrophobicContact CG2-CB 4.08Å; V231-V295 HydrophobicContact CG2-CG1 3.67Å; V231-V295 HydrophobicContact CG2-CG2 4.38Å |
| 232 | T | 95.3 | Very high | 90.6 | Very high | 19 Ų | 19 | 60.5 Ų | 60.5 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 161.5 | -176.9 | 62.2 | 0 | 0 | 0 | 0 | 112.4 | E211 A234 E235 V236 N363 | E211-T232 CarbonylContact O-C 3.49Å; E211-T232 VanDerWaalsContact O-CA 3.23Å; E211-T232 WeakPolarHBondContact O-CA 3.46Å; T232-A234 PolarHBondContact O-N 3.29Å; T232-E235 PolarHBondContact O-N 2.79Å; T232-E235 PolarHBondContact OG1-N 3.14Å; T232-V236 WeakPolarHBondContact O-CG2 3.44Å; T232-V236 PolarHBondContact O-N 3.18Å; T232-V236 VanDerWaalsContact O-N 3.07Å; T232-N363 PolarHBondContact OG1-OD1 2.74Å |
| 233 | V | 94.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56 | -39.1 | 168.9 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | V207 E211 F213 V236 Q237 I274 L276 | V207-V233 HydrophobicContact CG1-CG2 4.24Å; E211-V233 HydrophobicContact CB-CG2 4.03Å; E211-V233 PolarHBondContact O-N 3.3Å; F213-V233 HydrophobicContact CB-CG2 4.41Å; V233-V236 PolarHBondContact O-N 2.85Å; V233-Q237 WeakPolarHBondContact O-CB 3.38Å; V233-Q237 PolarHBondContact O-N 2.9Å; V233-I274 HydrophobicContact CG1-CD1 4.15Å; V233-I274 HydrophobicContact CG2-CD1 3.86Å; V233-L276 HydrophobicContact CG1-CD1 4.22Å |
| 234 | A | 93.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P209 T232 Q237 R238 G362 | P209-A234 HydrophobicContact CB-CB 4.09Å; P209-A234 VanDerWaalsContact O-CB 3.28Å; P209-A234 WeakPolarHBondContact O-CB 3.39Å; P209-A234 PolarHBondContact O-N 3.37Å; T232-A234 PolarHBondContact O-N 3.29Å; A234-Q237 PolarHBondContact O-N 3.22Å; A234-R238 VanDerWaalsContact O-CB 3.3Å; A234-R238 WeakPolarHBondContact O-CB 3.38Å; A234-R238 PolarHBondContact O-N 2.71Å; A234-G362 WeakPolarHBondContact CB-O 3.33Å |
| 235 | E | 95.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -49.7 | 175 | 172.6 | 170.6 | -170.7 | 0 | 0 | 110.1 | V231 T232 Q237 R238 R239 V295 E296 | V231-E235 HydrophobicContact CG1-CB 4.33Å; V231-E235 HydrophobicContact CG1-CG 4.21Å; T232-E235 PolarHBondContact O-N 2.79Å; T232-E235 PolarHBondContact OG1-N 3.14Å; E235-Q237 VanDerWaalsContact C-N 3.34Å; E235-Q237 PolarHBondContact O-N 3.37Å; E235-R238 WeakPolarHBondContact O-CB 3.4Å; E235-R238 PolarHBondContact O-N 3.18Å; E235-R239 HydrophobicContact CG-CG 4.35Å; E235-R239 VanDerWaalsContact O-CG 3.27Å; E235-R239 WeakPolarHBondContact O-CG 3.39Å; E235-R239 PolarHBondContact O-N 2.88Å; E235-R239 IonicContact OE1-NH1 3.72Å; E235-R239 PolarHBondContact OE1-NH1 3.45Å; E235-V295 VanDerWaalsContact OE1-CA 3.28Å; E235-V295 WeakPolarHBondContact OE1-CA 3.44Å; E235-V295 WeakPolarHBondContact OE1-CB 3.41Å; E235-E296 WeakPolarHBondContact CB-OE1 3.41Å; E235-E296 HydrophobicContact CG-CG 4.23Å; E235-E296 WeakPolarHBondContact CG-OE1 3.34Å; E235-E296 PolarHBondContact OE1-N 2.93Å; E235-E296 VanDerWaalsContact OE1-N 3.1Å; E235-E296 PolarHBondContact OE2-N 2.92Å |
| 236 | V | 95.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.8 | -47.8 | -179.7 | 176.4 | 0 | 0 | 0 | 0 | 111 | F213 V231 T232 V233 R238 R239 L240 L251 L255 L271 L276 | F213-V236 HydrophobicContact CB-CG2 4.14Å; F213-V236 HydrophobicContact CD1-CG2 3.81Å; F213-V236 HydrophobicContact CE1-CG2 4.47Å; F213-V236 HydrophobicContact CG-CG2 4.05Å; V231-V236 HydrophobicContact CG1-CG2 3.85Å; T232-V236 WeakPolarHBondContact O-CG2 3.44Å; T232-V236 PolarHBondContact O-N 3.18Å; T232-V236 VanDerWaalsContact O-N 3.07Å; V233-V236 PolarHBondContact O-N 2.85Å; V236-R238 PolarHBondContact O-N 3.26Å; V236-R239 PolarHBondContact O-N 3.31Å; V236-L240 HydrophobicContact CG1-CD1 4.5Å; V236-L240 WeakPolarHBondContact O-CG 2.89Å; V236-L240 PolarHBondContact O-N 2.95Å; V236-L240 VanDerWaalsContact O-N 3.15Å; V236-L251 HydrophobicContact CG1-CD2 4.06Å; V236-L255 HydrophobicContact CG2-CD2 4.5Å; V236-L271 HydrophobicContact CG1-CD2 3.5Å; V236-L271 VanDerWaalsContact CG1-CD2 3.5Å; V236-L276 HydrophobicContact CB-CD1 4.26Å; V236-L276 HydrophobicContact CG1-CD1 3.85Å |
| 237 | Q | 93.4 | Very high | 93.3 | Very high | 96 Ų | 96 | 37.2 Ų | 37.2 | 45% | 0.449 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.4 | -47.2 | 178.3 | -172.1 | 171.9 | 29.1 | 0 | 0 | 111.7 | V233 A234 E235 R239 L240 S241 L276 | V233-Q237 WeakPolarHBondContact O-CB 3.38Å; V233-Q237 PolarHBondContact O-N 2.9Å; A234-Q237 PolarHBondContact O-N 3.22Å; E235-Q237 VanDerWaalsContact C-N 3.34Å; E235-Q237 PolarHBondContact O-N 3.37Å; Q237-R239 VanDerWaalsContact C-N 3.28Å; Q237-R239 PolarHBondContact O-N 2.94Å; Q237-L240 PolarHBondContact O-N 3.4Å; Q237-L240 VanDerWaalsContact O-N 3.12Å; Q237-S241 PolarHBondContact O-N 2.86Å; Q237-S241 VanDerWaalsContact O-N 3.16Å; Q237-S241 PolarHBondContact O-OG 2.83Å; Q237-L276 HydrophobicContact CB-CD1 4.1Å; Q237-L276 HydrophobicContact CB-CD2 3.88Å; Q237-L276 HydrophobicContact CG-CD2 3.71Å |
| 238 | R | 94.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 35.6 Ų | 35.6 | 6% | 0.064 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.4 | -41.3 | 176.7 | -177.4 | -165.2 | 65.2 | 74 | -11.7 | 112.3 | A234 E235 V236 L240 S241 E244 E296 L383 H386 | A234-R238 VanDerWaalsContact O-CB 3.3Å; A234-R238 WeakPolarHBondContact O-CB 3.38Å; A234-R238 PolarHBondContact O-N 2.71Å; E235-R238 WeakPolarHBondContact O-CB 3.4Å; E235-R238 PolarHBondContact O-N 3.18Å; V236-R238 PolarHBondContact O-N 3.26Å; R238-L240 VanDerWaalsContact C-N 3.34Å; R238-S241 VanDerWaalsContact C-OG 3.31Å; R238-S241 WeakPolarHBondContact CA-OG 3.43Å; R238-S241 PolarHBondContact O-N 2.83Å; R238-S241 PolarHBondContact O-OG 3.5Å; R238-E244 IonicContact CZ-OE2 3.98Å; R238-E244 IonicContact NH1-OE2 3.04Å; R238-E244 PolarHBondContact NH1-OE2 3.02Å; R238-E244 IonicContact NH2-OE2 3.15Å; R238-E296 IonicContact CZ-OE1 3.24Å; R238-E296 VanDerWaalsContact CZ-OE1 3.27Å; R238-E296 IonicContact NE-OE1 3.65Å; R238-E296 PolarHBondContact NE-OE1 3.37Å; R238-E296 IonicContact NH2-OE1 3.63Å; R238-E296 PolarHBondContact NH2-OE1 3.22Å; R238-L383 VanDerWaalsContact CD-CD2 3.42Å; R238-L383 HydrophobicContact CG-CD2 3.71Å; R238-L383 PolarHBondContact NH1-O 3.49Å; R238-L383 VanDerWaalsContact NH1-O 3.09Å; R238-H386 PolarHBondContact NH2-ND1 3.35Å |
| 239 | R | 94.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -77.7 | -18.6 | -178.2 | -60 | -170.1 | 85.7 | 164 | -3.3 | 113.4 | E235 V236 Q237 E244 L246 V254 T292 L294 H386 | E235-R239 HydrophobicContact CG-CG 4.35Å; E235-R239 VanDerWaalsContact O-CG 3.27Å; E235-R239 WeakPolarHBondContact O-CG 3.39Å; E235-R239 PolarHBondContact O-N 2.88Å; E235-R239 IonicContact OE1-NH1 3.72Å; E235-R239 PolarHBondContact OE1-NH1 3.45Å; V236-R239 PolarHBondContact O-N 3.31Å; Q237-R239 VanDerWaalsContact C-N 3.28Å; Q237-R239 PolarHBondContact O-N 2.94Å; R239-E244 WeakPolarHBondContact CG-OE2 3.39Å; R239-E244 IonicContact CZ-OE1 3.37Å; R239-E244 IonicContact CZ-OE2 3.88Å; R239-E244 IonicContact NE-OE1 3.79Å; R239-E244 PolarHBondContact NE-OE1 3.37Å; R239-E244 IonicContact NE-OE2 2.74Å; R239-E244 PolarHBondContact NE-OE2 3.5Å; R239-E244 IonicContact NH2-OE1 2.8Å; R239-E244 PolarHBondContact NH2-OE1 3.2Å; R239-L246 HydrophobicContact CB-CD1 3.97Å; R239-L246 HydrophobicContact CB-CG 4.25Å; R239-L246 WeakPolarHBondContact O-CB 3.35Å; R239-L246 PolarHBondContact O-N 3.07Å; R239-V254 VanDerWaalsContact NH1-CG1 3.34Å; R239-T292 PolarHBondContact NH2-O 3.24Å; R239-L294 PolarHBondContact NH1-O 3.34Å; R239-H386 PolarHBondContact NH2-CE1 2.87Å; R239-H386 PolarHBondContact NH2-NE2 2.93Å |
| 240 | L | 92.6 | Very high | 93.2 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 7% | 0.068 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -81.3 | -27.5 | 170.3 | -65.6 | -173.7 | 0 | 0 | 0 | 112.8 | V236 Q237 R238 L246 L251 L271 L278 R282 | V236-L240 HydrophobicContact CG1-CD1 4.5Å; V236-L240 WeakPolarHBondContact O-CG 2.89Å; V236-L240 PolarHBondContact O-N 2.95Å; V236-L240 VanDerWaalsContact O-N 3.15Å; Q237-L240 PolarHBondContact O-N 3.4Å; Q237-L240 VanDerWaalsContact O-N 3.12Å; R238-L240 VanDerWaalsContact C-N 3.34Å; L240-L246 WeakPolarHBondContact CD2-O 3.43Å; L240-L251 HydrophobicContact CD2-CD2 3.87Å; L240-L251 HydrophobicContact CG-CD2 4.48Å; L240-L271 HydrophobicContact CD1-CD1 4.35Å; L240-L278 HydrophobicContact CD1-CB 4.41Å; L240-L278 HydrophobicContact CD2-CD1 3.79Å; L240-L278 HydrophobicContact CD2-CD2 4.02Å; L240-L278 HydrophobicContact CD2-CG 4.38Å; L240-R282 PolarHBondContact O-NH1 3.49Å |
| 241 | S | 91.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 26.4 Ų | 26.4 | 34% | 0.336 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -80.4 | 169.8 | 171 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | Q237 R238 E244 C245 | Q237-S241 PolarHBondContact O-N 2.86Å; Q237-S241 VanDerWaalsContact O-N 3.16Å; Q237-S241 PolarHBondContact O-OG 2.83Å; R238-S241 VanDerWaalsContact C-OG 3.31Å; R238-S241 WeakPolarHBondContact CA-OG 3.43Å; R238-S241 PolarHBondContact O-N 2.83Å; R238-S241 PolarHBondContact O-OG 3.5Å; S241-E244 PolarHBondContact O-N 3.18Å; S241-C245 PolarHBondContact O-N 2.99Å |
| 242 | P | 91.4 | Very high | 93 | Very high | 94 Ų | 94 | 27 Ų | 27 | 61% | 0.61 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 149.7 | 164 | -24.7 | 35.1 | 0 | 0 | 0 | 111.5 | C245 | P242-C245 VanDerWaalsContact N-SG 3.42Š|
| 243 | P | 92.6 | Very high | 92.9 | Very high | 16 Ų | 16 | 27.9 Ų | 27.9 | 10% | 0.104 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -81.9 | -21.5 | 5.9 | 31.1 | -35.6 | 0 | 0 | 0 | 115 | A286 L383 I384 | P243-A286 VanDerWaalsContact O-CB 3.31Å; P243-A286 WeakPolarHBondContact O-CB 3.36Å; P243-A286 PolarHBondContact O-N 2.9Å; P243-L383 HydrophobicContact CG-CB 3.88Å; P243-L383 HydrophobicContact CG-CD1 4.46Å; P243-I384 HydrophobicContact CB-CG2 4.03Å; P243-I384 HydrophobicContact CG-CG2 3.53Å |
| 244 | E | 92.5 | Very high | 93 | Very high | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.033 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -45.8 | -171.2 | -72.5 | 179.9 | 81.9 | 0 | 0 | 113.6 | R238 R239 S241 L246 A285 H386 | R238-E244 IonicContact CZ-OE2 3.98Å; R238-E244 IonicContact NH1-OE2 3.04Å; R238-E244 PolarHBondContact NH1-OE2 3.02Å; R238-E244 IonicContact NH2-OE2 3.15Å; R239-E244 WeakPolarHBondContact CG-OE2 3.39Å; R239-E244 IonicContact CZ-OE1 3.37Å; R239-E244 IonicContact CZ-OE2 3.88Å; R239-E244 IonicContact NE-OE1 3.79Å; R239-E244 PolarHBondContact NE-OE1 3.37Å; R239-E244 IonicContact NE-OE2 2.74Å; R239-E244 PolarHBondContact NE-OE2 3.5Å; R239-E244 IonicContact NH2-OE1 2.8Å; R239-E244 PolarHBondContact NH2-OE1 3.2Å; S241-E244 PolarHBondContact O-N 3.18Å; E244-L246 VanDerWaalsContact C-N 3.32Å; E244-L246 HydrophobicContact CB-CD2 3.98Å; E244-L246 HydrophobicContact CB-CG 4.02Å; E244-L246 PolarHBondContact O-N 3.49Å; E244-A285 PolarHBondContact O-N 2.8Å; E244-H386 VanDerWaalsContact CD-CE1 3.46Å; E244-H386 IonicContact OE1-CE1 3.27Å; E244-H386 PolarHBondContact OE1-CE1 2.93Å; E244-H386 IonicContact OE1-NE2 2.65Å; E244-H386 IonicContact OE2-CE1 3.48Å; E244-H386 PolarHBondContact OE2-CE1 3.4Å; E244-H386 IonicContact OE2-ND1 3.75Å |
| 245 | C | 92.3 | Very high | 93.1 | Very high | 18 Ų | 18 | 28.3 Ų | 28.3 | 12% | 0.122 | 18% | 0.179 | C | C | . | . | trans | 48 | 49.1 | -173.3 | -67.3 | 0 | 0 | 0 | 0 | 113.1 | S241 P242 A285 | S241-C245 PolarHBondContact O-N 2.99Å; P242-C245 VanDerWaalsContact N-SG 3.42Å; C245-A285 HydrophobicContact CB-CB 3.69Å | ||
| 246 | L | 92.8 | Very high | 93 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | trans | -58.9 | 141.6 | -175.6 | -62.9 | -169.4 | 0 | 0 | 0 | 112.1 | R239 L240 E244 L250 L251 V254 T292 | R239-L246 HydrophobicContact CB-CD1 3.97Å; R239-L246 HydrophobicContact CB-CG 4.25Å; R239-L246 WeakPolarHBondContact O-CB 3.35Å; R239-L246 PolarHBondContact O-N 3.07Å; L240-L246 WeakPolarHBondContact CD2-O 3.43Å; E244-L246 VanDerWaalsContact C-N 3.32Å; E244-L246 HydrophobicContact CB-CD2 3.98Å; E244-L246 HydrophobicContact CB-CG 4.02Å; E244-L246 PolarHBondContact O-N 3.49Å; L246-L250 HydrophobicContact CB-CB 4.43Å; L246-L250 HydrophobicContact CD2-CB 4.2Å; L246-L250 HydrophobicContact CD2-CD1 4.19Å; L246-L251 HydrophobicContact CB-CB 4.44Å; L246-V254 HydrophobicContact CD1-CG2 4.14Å; L246-T292 HydrophobicContact CD2-CG2 4.34Å | ||
| 247 | N | 91.1 | Very high | 92.8 | Very high | 44 Ų | 44 | 34.6 Ų | 34.6 | 24% | 0.235 | 20% | 0.202 | C | C | . | . | trans | -87.3 | 168.7 | 169.1 | 70.2 | 42.6 | 0 | 0 | 0 | 111 | S249 L250 L251 R282 | N247-S249 PolarHBondContact O-N 3.44Å; N247-S249 VanDerWaalsContact O-N 3.17Å; N247-S249 WeakPolarHBondContact OD1-CB 3.5Å; N247-S249 PolarHBondContact OD1-N 3Å; N247-L250 PolarHBondContact O-N 3.38Å; N247-L250 PolarHBondContact OD1-N 2.81Å; N247-L251 WeakPolarHBondContact O-CB 3.37Å; N247-L251 PolarHBondContact O-N 3.06Å; N247-R282 WeakPolarHBondContact CB-O 3.44Å | ||
| 248 | A | 90.9 | Very high | 92.6 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -30.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G252 L267 L278 | A248-G252 PolarHBondContact O-N 3.4Å; A248-L267 HydrophobicContact CB-CD2 4.25Å; A248-L267 VanDerWaalsContact O-CD2 3.31Å; A248-L267 WeakPolarHBondContact O-CD2 3.31Å; A248-L278 HydrophobicContact CB-CD2 3.75Å; A248-L278 HydrophobicContact CB-CG 4.46Å |
| 249 | S | 89.1 | Confident | 92.3 | Very high | 101 Ų | 101 | 43.9 Ų | 43.9 | 71% | 0.706 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -74.4 | -45 | 178.8 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | N247 G252 G253 | N247-S249 PolarHBondContact O-N 3.44Å; N247-S249 VanDerWaalsContact O-N 3.17Å; N247-S249 WeakPolarHBondContact OD1-CB 3.5Å; N247-S249 PolarHBondContact OD1-N 3Å; S249-G252 PolarHBondContact O-N 3.37Å; S249-G253 PolarHBondContact O-N 2.93Å |
| 250 | L | 92.2 | Very high | 92 | Very high | 52 Ų | 52 | 47.2 Ų | 47.2 | 27% | 0.272 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.3 | -47.2 | 176.9 | -69.1 | 173.2 | 0 | 0 | 0 | 111.1 | L246 N247 G252 G253 V254 K284 V288 | L246-L250 HydrophobicContact CB-CB 4.43Å; L246-L250 HydrophobicContact CD2-CB 4.2Å; L246-L250 HydrophobicContact CD2-CD1 4.19Å; N247-L250 PolarHBondContact O-N 3.38Å; N247-L250 PolarHBondContact OD1-N 2.81Å; L250-G252 VanDerWaalsContact C-N 3.31Å; L250-G252 PolarHBondContact O-N 3.07Å; L250-G253 PolarHBondContact O-N 3.02Å; L250-G253 VanDerWaalsContact O-N 3.07Å; L250-V254 PolarHBondContact O-N 3.42Å; L250-K284 HydrophobicContact CD1-CB 4.25Å; L250-K284 HydrophobicContact CD1-CD 4.21Å; L250-K284 HydrophobicContact CD1-CG 4.35Å; L250-V288 HydrophobicContact CD1-CG2 4.17Å; L250-V288 HydrophobicContact CD2-CG2 4.14Å |
| 251 | L | 94.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 174.4 | -178.8 | 61.8 | 0 | 0 | 0 | 111 | V236 L240 L246 N247 G253 V254 L255 L267 L271 L278 | V236-L251 HydrophobicContact CG1-CD2 4.06Å; L240-L251 HydrophobicContact CD2-CD2 3.87Å; L240-L251 HydrophobicContact CG-CD2 4.48Å; L246-L251 HydrophobicContact CB-CB 4.44Å; N247-L251 WeakPolarHBondContact O-CB 3.37Å; N247-L251 PolarHBondContact O-N 3.06Å; L251-G253 VanDerWaalsContact C-N 3.28Å; L251-G253 PolarHBondContact O-N 3.1Å; L251-V254 PolarHBondContact O-N 3.29Å; L251-L255 HydrophobicContact CD1-CD1 3.99Å; L251-L255 HydrophobicContact CD1-CG 4.06Å; L251-L255 HydrophobicContact CD2-CD1 4.47Å; L251-L255 HydrophobicContact CG-CD1 3.78Å; L251-L255 HydrophobicContact CG-CG 4.29Å; L251-L255 WeakPolarHBondContact O-CB 3.43Å; L251-L255 WeakPolarHBondContact O-CG 3.42Å; L251-L255 PolarHBondContact O-N 3.06Å; L251-L267 HydrophobicContact CB-CD2 4.27Å; L251-L267 HydrophobicContact CD2-CD2 4.13Å; L251-L267 HydrophobicContact CG-CD2 4.18Å; L251-L271 HydrophobicContact CD2-CD1 4.06Å; L251-L278 HydrophobicContact CD2-CD2 4.33Å |
| 252 | G | 94.1 | Very high | 91.8 | Very high | 12 Ų | 12 | 59 Ų | 59 | 12% | 0.124 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.9 | -37 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A248 S249 L250 L255 R256 R257 | A248-G252 PolarHBondContact O-N 3.4Å; S249-G252 PolarHBondContact O-N 3.37Å; L250-G252 VanDerWaalsContact C-N 3.31Å; L250-G252 PolarHBondContact O-N 3.07Å; G252-L255 CarbonylContact O-C 3.54Å; G252-R256 PolarHBondContact O-N 2.98Å; G252-R256 VanDerWaalsContact O-N 3.08Å; G252-R257 PolarHBondContact O-N 2.94Å |
| 253 | G | 93.6 | Very high | 91.7 | Very high | 38 Ų | 38 | 55.2 Ų | 55.2 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73.8 | -36.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R219 S249 L250 L251 R256 | R219-G253 PolarHBondContact NH2-O 3.32Å; S249-G253 PolarHBondContact O-N 2.93Å; L250-G253 PolarHBondContact O-N 3.02Å; L250-G253 VanDerWaalsContact O-N 3.07Å; L251-G253 VanDerWaalsContact C-N 3.28Å; L251-G253 PolarHBondContact O-N 3.1Å; G253-R256 PolarHBondContact O-N 3.25Å |
| 254 | V | 95.4 | Very high | 91.6 | Very high | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 169.2 | 168.6 | 0 | 0 | 0 | 0 | 110.2 | R239 L246 L250 L251 R256 T292 V295 | R239-V254 VanDerWaalsContact NH1-CG1 3.34Å; L246-V254 HydrophobicContact CD1-CG2 4.14Å; L250-V254 PolarHBondContact O-N 3.42Å; L251-V254 PolarHBondContact O-N 3.29Å; V254-R256 WeakPolarHBondContact O-CG 3.49Å; V254-R256 PolarHBondContact O-N 2.9Å; V254-T292 WeakPolarHBondContact CG2-O 3.49Å; V254-V295 HydrophobicContact CG1-CG1 3.83Å |
| 255 | L | 95.9 | Very high | 91.5 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 1.8 | 177.9 | -59.7 | 171.6 | 0 | 0 | 0 | 114 | F213 V231 V236 L251 G252 R257 L267 | F213-L255 HydrophobicContact CD1-CD1 4.29Å; F213-L255 HydrophobicContact CD1-CD2 4.21Å; F213-L255 HydrophobicContact CE1-CD1 3.75Å; F213-L255 HydrophobicContact CE1-CD2 4.48Å; V231-L255 HydrophobicContact CB-CD2 4.31Å; V231-L255 HydrophobicContact CG1-CD2 3.82Å; V231-L255 HydrophobicContact CG2-CD2 4.36Å; V236-L255 HydrophobicContact CG2-CD2 4.5Å; L251-L255 HydrophobicContact CD1-CD1 3.99Å; L251-L255 HydrophobicContact CD1-CG 4.06Å; L251-L255 HydrophobicContact CD2-CD1 4.47Å; L251-L255 HydrophobicContact CG-CD1 3.78Å; L251-L255 HydrophobicContact CG-CG 4.29Å; L251-L255 WeakPolarHBondContact O-CB 3.43Å; L251-L255 WeakPolarHBondContact O-CG 3.42Å; L251-L255 PolarHBondContact O-N 3.06Å; G252-L255 CarbonylContact O-C 3.54Å; L255-R257 HydrophobicContact CB-CG 4.1Å; L255-R257 PolarHBondContact O-N 3.39Å; L255-R257 VanDerWaalsContact O-N 3.09Å; L255-L267 HydrophobicContact CD1-CD1 3.86Å |
| 256 | R | 94.6 | Very high | 91.5 | Very high | 56 Ų | 56 | 64.3 Ų | 64.3 | 21% | 0.211 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 31.5 | 175.5 | -49.7 | 174.4 | -154.1 | -130.5 | -4.2 | 113.9 | V216 P217 G218 R219 G252 G253 V254 E298 | V216-R256 HydrophobicContact CB-CG 4.47Å; P217-R256 PolarHBondContact O-NE 3.36Å; P217-R256 VanDerWaalsContact O-NE 3.08Å; P217-R256 PolarHBondContact O-NH1 3.33Å; P217-R256 PolarHBondContact O-NH2 3.35Å; G218-R256 PolarHBondContact O-NH1 2.98Å; R219-R256 VanDerWaalsContact CG-CZ 3.49Å; G252-R256 PolarHBondContact O-N 2.98Å; G252-R256 VanDerWaalsContact O-N 3.08Å; G253-R256 PolarHBondContact O-N 3.25Å; V254-R256 WeakPolarHBondContact O-CG 3.49Å; V254-R256 PolarHBondContact O-N 2.9Å; R256-E298 IonicContact CZ-OE1 3.66Å; R256-E298 IonicContact CZ-OE2 4Å; R256-E298 IonicContact NH1-OE1 3.74Å; R256-E298 IonicContact NH2-OE1 2.76Å; R256-E298 PolarHBondContact NH2-OE1 2.89Å; R256-E298 IonicContact NH2-OE2 2.72Å; R256-E298 PolarHBondContact NH2-OE2 3.35Å |
| 257 | R | 90.9 | Very high | 91.6 | Very high | 80 Ų | 80 | 64.2 Ų | 64.2 | 30% | 0.302 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 132.6 | 177.8 | -66.1 | -176.1 | 60.9 | 170.4 | -3.4 | 109.3 | G252 L255 K259 S266 L267 | G252-R257 PolarHBondContact O-N 2.94Å; L255-R257 HydrophobicContact CB-CG 4.1Å; L255-R257 PolarHBondContact O-N 3.39Å; L255-R257 VanDerWaalsContact O-N 3.09Å; R257-K259 PolarHBondContact O-N 3.38Å; R257-S266 PolarHBondContact NH2-OG 3.4Å; R257-L267 VanDerWaalsContact NH1-CA 3.33Å |
| 258 | A | 88.1 | Confident | 91.7 | Very high | 88 Ų | 88 | 64.9 Ų | 64.9 | 73% | 0.727 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -56 | 138.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S260 | A258-S260 PolarHBondContact O-N 3.31Š|
| 259 | K | 87.8 | Confident | 91.8 | Very high | 221 Ų | 221 | 69 Ų | 69 | 96% | 0.961 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 121.5 | 178.1 | -170.9 | 178.9 | -178.9 | -177.4 | 0 | 109.2 | R257 | R257-K259 PolarHBondContact O-N 3.38Š|
| 260 | S | 88.9 | Confident | 92 | Very high | 70 Ų | 70 | 69.7 Ų | 69.7 | 49% | 0.49 | 36% | 0.36 | S | S | . | . | trans | -140 | 149.9 | -179.5 | 50.1 | 0 | 0 | 0 | 0 | 110.1 | A258 N262 G263 | A258-S260 PolarHBondContact O-N 3.31Å; S260-N262 PolarHBondContact O-N 2.78Å; S260-N262 VanDerWaalsContact O-N 3.13Å; S260-G263 PolarHBondContact O-N 2.93Å; S260-G263 VanDerWaalsContact OG-CA 3.28Å; S260-G263 WeakPolarHBondContact OG-CA 3.39Å; S260-G263 PolarHBondContact OG-N 3.12Å | ||
| 261 | K | 88.8 | Confident | 92.1 | Very high | 212 Ų | 212 | 67.2 Ų | 67.2 | 92% | 0.922 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -39.7 | -176.4 | -172.9 | 176.9 | -179.9 | 177.6 | 0 | 112.9 | ||
| 262 | N | 90.1 | Very high | 92 | Very high | 96 Ų | 96 | 71.2 Ų | 71.2 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 9.1 | -179.6 | -62.9 | -18.8 | 0 | 0 | 0 | 113.4 | S260 G264 R265 S266 | S260-N262 PolarHBondContact O-N 2.78Å; S260-N262 VanDerWaalsContact O-N 3.13Å; N262-G264 VanDerWaalsContact C-N 3.33Å; N262-G264 PolarHBondContact O-N 3.04Å; N262-R265 WeakPolarHBondContact O-CB 3.46Å; N262-R265 PolarHBondContact O-N 2.69Å; N262-S266 PolarHBondContact O-N 3.15Å |
| 263 | G | 89.5 | Confident | 92 | Very high | 15 Ų | 15 | 79.1 Ų | 79.1 | 16% | 0.155 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.5 | -40.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S260 L267 | S260-G263 PolarHBondContact O-N 2.93Å; S260-G263 VanDerWaalsContact OG-CA 3.28Å; S260-G263 WeakPolarHBondContact OG-CA 3.39Å; S260-G263 PolarHBondContact OG-N 3.12Å; G263-L267 WeakPolarHBondContact O-CB 3.45Å; G263-L267 PolarHBondContact O-N 3.15Å |
| 264 | G | 90.1 | Very high | 91.9 | Very high | 33 Ų | 33 | 78.6 Ų | 78.6 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.2 | -33.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | N262 R268 | N262-G264 VanDerWaalsContact C-N 3.33Å; N262-G264 PolarHBondContact O-N 3.04Å; G264-R268 WeakPolarHBondContact O-CD 3.48Å; G264-R268 VanDerWaalsContact O-CG 3.3Å; G264-R268 WeakPolarHBondContact O-CG 3.49Å; G264-R268 PolarHBondContact O-N 3.04Å |
| 265 | R | 91.6 | Very high | 91.6 | Very high | 162 Ų | 162 | 80.7 Ų | 80.7 | 61% | 0.611 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -70.9 | -50 | 175.2 | -166.1 | -168.4 | -69.5 | 176.4 | -3.4 | 110.7 | N262 L267 R268 E269 | N262-R265 WeakPolarHBondContact O-CB 3.46Å; N262-R265 PolarHBondContact O-N 2.69Å; R265-L267 PolarHBondContact O-N 3.44Å; R265-R268 WeakPolarHBondContact O-CB 3.29Å; R265-R268 PolarHBondContact O-N 3.4Å; R265-E269 VanDerWaalsContact CD-OE1 3.28Å; R265-E269 WeakPolarHBondContact CD-OE1 3.31Å; R265-E269 VanDerWaalsContact CG-OE1 3.27Å; R265-E269 WeakPolarHBondContact CG-OE1 3.46Å; R265-E269 WeakPolarHBondContact O-CG 3.34Å; R265-E269 PolarHBondContact O-N 3.21Å |
| 266 | S | 93 | Very high | 91.4 | Very high | 37 Ų | 37 | 80.9 Ų | 80.9 | 26% | 0.259 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.1 | -30.6 | 174.8 | 169.1 | 0 | 0 | 0 | 0 | 113.3 | R257 N262 K270 | R257-S266 PolarHBondContact NH2-OG 3.4Å; N262-S266 PolarHBondContact O-N 3.15Å; S266-K270 WeakPolarHBondContact O-CB 3.5Å; S266-K270 WeakPolarHBondContact O-CG 3.17Å; S266-K270 PolarHBondContact O-N 3Å |
| 267 | L | 93.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 83.9 Ų | 83.9 | 1% | 0.01 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.7 | -45.8 | 172.1 | -177.5 | 60.3 | 0 | 0 | 0 | 111.4 | F213 A248 L251 L255 R257 G263 R265 K270 L271 | F213-L267 HydrophobicContact CE1-CD1 4.23Å; F213-L267 HydrophobicContact CZ-CD1 4.15Å; A248-L267 HydrophobicContact CB-CD2 4.25Å; A248-L267 VanDerWaalsContact O-CD2 3.31Å; A248-L267 WeakPolarHBondContact O-CD2 3.31Å; L251-L267 HydrophobicContact CB-CD2 4.27Å; L251-L267 HydrophobicContact CD2-CD2 4.13Å; L251-L267 HydrophobicContact CG-CD2 4.18Å; L255-L267 HydrophobicContact CD1-CD1 3.86Å; R257-L267 VanDerWaalsContact NH1-CA 3.33Å; G263-L267 WeakPolarHBondContact O-CB 3.45Å; G263-L267 PolarHBondContact O-N 3.15Å; R265-L267 PolarHBondContact O-N 3.44Å; L267-K270 PolarHBondContact O-N 3.5Å; L267-L271 HydrophobicContact CD1-CD1 4.2Å; L267-L271 HydrophobicContact CD1-CG 4.26Å; L267-L271 HydrophobicContact CG-CD1 3.96Å; L267-L271 HydrophobicContact CG-CG 4.45Å; L267-L271 VanDerWaalsContact O-CG 3.23Å; L267-L271 WeakPolarHBondContact O-CG 3.27Å; L267-L271 PolarHBondContact O-N 3.02Å |
| 268 | R | 93.3 | Very high | 91 | Very high | 59 Ų | 59 | 80.2 Ų | 80.2 | 22% | 0.223 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -58.4 | -53.3 | 175.7 | -65.9 | 150.9 | 178.6 | -74.9 | -25.5 | 111.2 | G264 R265 K270 L271 D272 L278 P279 | G264-R268 WeakPolarHBondContact O-CD 3.48Å; G264-R268 VanDerWaalsContact O-CG 3.3Å; G264-R268 WeakPolarHBondContact O-CG 3.49Å; G264-R268 PolarHBondContact O-N 3.04Å; R265-R268 WeakPolarHBondContact O-CB 3.29Å; R265-R268 PolarHBondContact O-N 3.4Å; R268-K270 PolarHBondContact O-N 2.89Å; R268-K270 VanDerWaalsContact O-N 3.1Å; R268-L271 CarbonylContact O-C 3.55Å; R268-L271 WeakPolarHBondContact O-CA 3.47Å; R268-L271 WeakPolarHBondContact O-CB 3.41Å; R268-L271 PolarHBondContact O-N 3.42Å; R268-D272 PolarHBondContact O-N 3.3Å; R268-D272 VanDerWaalsContact O-OD2 3.1Å; R268-L278 PolarHBondContact NH1-O 3.37Å; R268-L278 PolarHBondContact NH2-O 2.87Å; R268-P279 PolarHBondContact NH1-O 2.89Å; R268-P279 PolarHBondContact NH2-O 3.42Å |
| 269 | E | 93.9 | Very high | 90.7 | Very high | 98 Ų | 98 | 78.3 Ų | 78.3 | 46% | 0.458 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -54.9 | -33.6 | 177.4 | -67.6 | 162.3 | -172 | 0 | 0 | 113.3 | R265 K273 | R265-E269 VanDerWaalsContact CD-OE1 3.28Å; R265-E269 WeakPolarHBondContact CD-OE1 3.31Å; R265-E269 VanDerWaalsContact CG-OE1 3.27Å; R265-E269 WeakPolarHBondContact CG-OE1 3.46Å; R265-E269 WeakPolarHBondContact O-CG 3.34Å; R265-E269 PolarHBondContact O-N 3.21Å; E269-K273 WeakPolarHBondContact O-CD 3.34Å; E269-K273 VanDerWaalsContact O-CG 3.23Å; E269-K273 WeakPolarHBondContact O-CG 3.48Å; E269-K273 PolarHBondContact O-N 2.99Å |
| 270 | K | 93.3 | Very high | 90.5 | Very high | 115 Ų | 115 | 71.7 Ų | 71.7 | 50% | 0.5 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.9 | -35.2 | 173.9 | -80.3 | -167.8 | 175.7 | -158.1 | 0 | 113.2 | F213 S266 L267 R268 | F213-K270 HydrophobicContact CE2-CB 4.35Å; F213-K270 HydrophobicContact CZ-CB 4.21Å; S266-K270 WeakPolarHBondContact O-CB 3.5Å; S266-K270 WeakPolarHBondContact O-CG 3.17Å; S266-K270 PolarHBondContact O-N 3Å; L267-K270 PolarHBondContact O-N 3.5Å; R268-K270 PolarHBondContact O-N 2.89Å; R268-K270 VanDerWaalsContact O-N 3.1Å |
| 271 | L | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -73.6 | -43 | 177.3 | -65.7 | 169.6 | 0 | 0 | 0 | 111 | F213 V236 L240 L251 L267 R268 K273 I274 G275 L276 L278 | F213-L271 HydrophobicContact CE1-CD2 4.42Å; F213-L271 HydrophobicContact CE2-CD2 3.98Å; F213-L271 HydrophobicContact CZ-CD2 3.75Å; F213-L271 HydrophobicContact CZ-CG 4.34Å; V236-L271 HydrophobicContact CG1-CD2 3.5Å; V236-L271 VanDerWaalsContact CG1-CD2 3.5Å; L240-L271 HydrophobicContact CD1-CD1 4.35Å; L251-L271 HydrophobicContact CD2-CD1 4.06Å; L267-L271 HydrophobicContact CD1-CD1 4.2Å; L267-L271 HydrophobicContact CD1-CG 4.26Å; L267-L271 HydrophobicContact CG-CD1 3.96Å; L267-L271 HydrophobicContact CG-CG 4.45Å; L267-L271 VanDerWaalsContact O-CG 3.23Å; L267-L271 WeakPolarHBondContact O-CG 3.27Å; L267-L271 PolarHBondContact O-N 3.02Å; R268-L271 CarbonylContact O-C 3.55Å; R268-L271 WeakPolarHBondContact O-CA 3.47Å; R268-L271 WeakPolarHBondContact O-CB 3.41Å; R268-L271 PolarHBondContact O-N 3.42Å; L271-K273 VanDerWaalsContact C-N 3.29Å; L271-K273 PolarHBondContact O-N 3.38Å; L271-I274 HydrophobicContact CD2-CD1 4.43Å; L271-I274 CarbonylContact O-C 3.25Å; L271-I274 WeakPolarHBondContact O-CA 3.47Å; L271-I274 WeakPolarHBondContact O-CG1 3.46Å; L271-I274 PolarHBondContact O-N 3.5Å; L271-G275 PolarHBondContact O-N 3.03Å; L271-L276 CarbonylContact C-O 3.5Å; L271-L276 HydrophobicContact CB-CB 4.08Å; L271-L276 WeakPolarHBondContact CB-O 3.13Å; L271-L276 HydrophobicContact CD2-CB 4.31Å; L271-L276 HydrophobicContact CD2-CD1 4.22Å; L271-L276 PolarHBondContact O-N 3.2Å; L271-L278 HydrophobicContact CD1-CB 3.9Å; L271-L278 HydrophobicContact CD1-CD2 3.67Å; L271-L278 HydrophobicContact CD1-CG 4.47Å |
| 272 | D | 92.7 | Very high | 89.4 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.2 | -38.7 | 177.8 | -60.1 | -36.9 | 0 | 0 | 0 | 111.1 | R268 I274 G275 L276 | R268-D272 PolarHBondContact O-N 3.3Å; R268-D272 VanDerWaalsContact O-OD2 3.1Å; D272-I274 PolarHBondContact O-N 3.01Å; D272-G275 PolarHBondContact O-N 2.93Å; D272-L276 PolarHBondContact N-O 3.26Å |
| 273 | K | 92.6 | Very high | 88.6 | Confident | 179 Ų | 179 | 72.4 Ų | 72.4 | 78% | 0.778 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.2 | 171.7 | -80.6 | 176 | -177.6 | -170.7 | 0 | 114.2 | E269 L271 | E269-K273 WeakPolarHBondContact O-CD 3.34Å; E269-K273 VanDerWaalsContact O-CG 3.23Å; E269-K273 WeakPolarHBondContact O-CG 3.48Å; E269-K273 PolarHBondContact O-N 2.99Å; L271-K273 VanDerWaalsContact C-N 3.29Å; L271-K273 PolarHBondContact O-N 3.38Å |
| 274 | I | 91.6 | Very high | 87.8 | Confident | 26 Ų | 26 | 75.9 Ų | 75.9 | 13% | 0.133 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 21.5 | 175.7 | 64.5 | 159.2 | 0 | 0 | 0 | 113.1 | V207 F213 V233 L271 D272 L276 | V207-I274 HydrophobicContact CB-CB 4.35Å; V207-I274 HydrophobicContact CG1-CB 4.15Å; V207-I274 HydrophobicContact CG1-CG2 4.34Å; V207-I274 HydrophobicContact CG2-CB 3.91Å; V207-I274 HydrophobicContact CG2-CG2 4.45Å; V207-I274 WeakPolarHBondContact CG2-O 3.45Å; F213-I274 HydrophobicContact CD2-CD1 3.53Å; F213-I274 HydrophobicContact CE2-CD1 3.71Å; F213-I274 HydrophobicContact CE2-CG1 4.39Å; V233-I274 HydrophobicContact CG1-CD1 4.15Å; V233-I274 HydrophobicContact CG2-CD1 3.86Å; L271-I274 HydrophobicContact CD2-CD1 4.43Å; L271-I274 CarbonylContact O-C 3.25Å; L271-I274 WeakPolarHBondContact O-CA 3.47Å; L271-I274 WeakPolarHBondContact O-CG1 3.46Å; L271-I274 PolarHBondContact O-N 3.5Å; D272-I274 PolarHBondContact O-N 3.01Å; I274-L276 HydrophobicContact CD1-CD1 3.78Å; I274-L276 HydrophobicContact CD1-CG 4.08Å; I274-L276 HydrophobicContact CG1-CB 4.37Å; I274-L276 HydrophobicContact CG1-CD1 4.39Å; I274-L276 HydrophobicContact CG1-CG 4.17Å; I274-L276 PolarHBondContact O-N 2.96Å |
| 275 | G | 89.6 | Confident | 87 | Confident | 51 Ų | 51 | 77.6 Ų | 77.6 | 53% | 0.526 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 11.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L271 D272 | L271-G275 PolarHBondContact O-N 3.03Å; D272-G275 PolarHBondContact O-N 2.93Å |
| 276 | L | 91.1 | Very high | 86.2 | Confident | 13 Ų | 13 | 71.2 Ų | 71.2 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | trans | -100 | 111.1 | 177.9 | -64.8 | -171.3 | 0 | 0 | 0 | 111.1 | V233 V236 Q237 L271 D272 I274 | V233-L276 HydrophobicContact CG1-CD1 4.22Å; V236-L276 HydrophobicContact CB-CD1 4.26Å; V236-L276 HydrophobicContact CG1-CD1 3.85Å; Q237-L276 HydrophobicContact CB-CD1 4.1Å; Q237-L276 HydrophobicContact CB-CD2 3.88Å; Q237-L276 HydrophobicContact CG-CD2 3.71Å; L271-L276 CarbonylContact C-O 3.5Å; L271-L276 HydrophobicContact CB-CB 4.08Å; L271-L276 WeakPolarHBondContact CB-O 3.13Å; L271-L276 HydrophobicContact CD2-CB 4.31Å; L271-L276 HydrophobicContact CD2-CD1 4.22Å; L271-L276 PolarHBondContact O-N 3.2Å; D272-L276 PolarHBondContact N-O 3.26Å; I274-L276 HydrophobicContact CD1-CD1 3.78Å; I274-L276 HydrophobicContact CD1-CG 4.08Å; I274-L276 HydrophobicContact CG1-CB 4.37Å; I274-L276 HydrophobicContact CG1-CD1 4.39Å; I274-L276 HydrophobicContact CG1-CG 4.17Å; I274-L276 PolarHBondContact O-N 2.96Å | ||
| 277 | N | 88.7 | Confident | 85.9 | Confident | 119 Ų | 119 | 75.8 Ų | 75.8 | 64% | 0.636 | 41% | 0.413 | S | S | * | . | trans | -84.6 | 128.9 | 177 | -179.7 | 0.7 | 0 | 0 | 0 | 111.9 | ||||
| 278 | L | 88.4 | Confident | 85.6 | Confident | 3 Ų | 3 | 79 Ų | 79 | 2% | 0.016 | 43% | 0.433 | C | S | . | . | trans | -121.8 | 95.4 | 171.6 | -179.8 | 47.3 | 0 | 0 | 0 | 111.3 | L240 A248 L251 R268 L271 | L240-L278 HydrophobicContact CD1-CB 4.41Å; L240-L278 HydrophobicContact CD2-CD1 3.79Å; L240-L278 HydrophobicContact CD2-CD2 4.02Å; L240-L278 HydrophobicContact CD2-CG 4.38Å; A248-L278 HydrophobicContact CB-CD2 3.75Å; A248-L278 HydrophobicContact CB-CG 4.46Å; L251-L278 HydrophobicContact CD2-CD2 4.33Å; R268-L278 PolarHBondContact NH1-O 3.37Å; R268-L278 PolarHBondContact NH2-O 2.87Å; L271-L278 HydrophobicContact CD1-CB 3.9Å; L271-L278 HydrophobicContact CD1-CD2 3.67Å; L271-L278 HydrophobicContact CD1-CG 4.47Å | ||
| 279 | P | 83.5 | Confident | 85.6 | Confident | 48 Ų | 48 | 79.6 Ų | 79.6 | 31% | 0.312 | 44% | 0.443 | S | S | . | . | trans | -65.7 | 156.2 | -173.3 | 23.4 | -33 | 0 | 0 | 0 | 114 | R268 R282 | R268-P279 PolarHBondContact NH1-O 2.89Å; R268-P279 PolarHBondContact NH2-O 3.42Å; P279-R282 HydrophobicContact CG-CB 4.46Å | ||
| 280 | A | 82.2 | Confident | 85.7 | Confident | 82 Ų | 82 | 82.2 Ų | 82.2 | 68% | 0.678 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | 149.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | R282 | A280-R282 PolarHBondContact O-N 2.98Å; A280-R282 VanDerWaalsContact O-N 3.07Å |
| 281 | G | 75.2 | Confident | 85.7 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 80% | 0.804 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 5.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | R283 | G281-R283 PolarHBondContact O-N 3.08Š|
| 282 | R | 79.2 | Confident | 85.8 | Confident | 88 Ų | 88 | 80 Ų | 80 | 33% | 0.332 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -54 | 123.2 | 177.4 | 178.4 | 173.1 | -72.7 | -141.4 | 0 | 111 | L240 N247 P279 A280 | L240-R282 PolarHBondContact O-NH1 3.49Å; N247-R282 WeakPolarHBondContact CB-O 3.44Å; P279-R282 HydrophobicContact CG-CB 4.46Å; A280-R282 PolarHBondContact O-N 2.98Å; A280-R282 VanDerWaalsContact O-N 3.07Å |
| 283 | R | 73 | Confident | 85.8 | Confident | 227 Ų | 227 | 77.9 Ų | 77.9 | 86% | 0.857 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 143.9 | 171.5 | -62 | -176.5 | -178.2 | -175.9 | 0.7 | 110 | G281 | G281-R283 PolarHBondContact O-N 3.08Š|
| 284 | K | 73.9 | Confident | 86 | Confident | 88 Ų | 88 | 69.7 Ų | 69.7 | 38% | 0.383 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 143.4 | 170.2 | 158.8 | -163.4 | 160.4 | -162.5 | 0 | 109.4 | L250 A286 V288 | L250-K284 HydrophobicContact CD1-CB 4.25Å; L250-K284 HydrophobicContact CD1-CD 4.21Å; L250-K284 HydrophobicContact CD1-CG 4.35Å; K284-A286 WeakPolarHBondContact CE-O 3.38Å; K284-A286 WeakPolarHBondContact CG-O 3.3Å; K284-V288 HydrophobicContact CD-CG2 3.94Å |
| 285 | A | 72.3 | Confident | 86.3 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 56% | 0.562 | 40% | 0.404 | S | S | * | . | trans | -102.3 | -61.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | E244 C245 | E244-A285 PolarHBondContact O-N 2.8Å; C245-A285 HydrophobicContact CB-CB 3.69Å | ||
| 286 | A | 76.2 | Confident | 86.5 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -81.6 | 155.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P243 K284 | P243-A286 VanDerWaalsContact O-CB 3.31Å; P243-A286 WeakPolarHBondContact O-CB 3.36Å; P243-A286 PolarHBondContact O-N 2.9Å; K284-A286 WeakPolarHBondContact CE-O 3.38Å; K284-A286 WeakPolarHBondContact CG-O 3.3Å |
| 287 | N | 85.4 | Confident | 86.7 | Confident | 133 Ų | 133 | 67.3 Ų | 67.3 | 71% | 0.711 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 146.5 | 174.6 | -81.5 | -33.6 | 0 | 0 | 0 | 112.4 | ||
| 288 | V | 88.7 | Confident | 87.1 | Confident | 71 Ų | 71 | 62 Ų | 62 | 43% | 0.43 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 124.6 | 173.5 | 173 | 0 | 0 | 0 | 0 | 106.9 | L250 K284 T292 | L250-V288 HydrophobicContact CD1-CG2 4.17Å; L250-V288 HydrophobicContact CD2-CG2 4.14Å; K284-V288 HydrophobicContact CD-CG2 3.94Å; V288-T292 HydrophobicContact CG1-CG2 4.25Å; V288-T292 HydrophobicContact CG2-CG2 4.42Å |
| 289 | T | 92.8 | Very high | 87.5 | Confident | 71 Ų | 71 | 61.8 Ų | 61.8 | 44% | 0.436 | 36% | 0.361 | S | S | . | . | trans | -119.1 | 178.3 | 176.5 | 68.7 | 0 | 0 | 0 | 0 | 109.5 | L291 T292 | T289-L291 PolarHBondContact O-N 3.13Å; T289-L291 PolarHBondContact OG1-N 3.26Å; T289-T292 PolarHBondContact N-OG1 2.9Å; T289-T292 WeakPolarHBondContact O-CB 3.49Å; T289-T292 PolarHBondContact O-N 3.36Å; T289-T292 PolarHBondContact O-OG1 2.68Å; T289-T292 PolarHBondContact OG1-N 3.18Å; T289-T292 PolarHBondContact OG1-OG1 3.32Å | ||
| 290 | L | 94.7 | Very high | 88 | Confident | 153 Ų | 153 | 62.8 Ų | 62.8 | 80% | 0.801 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -34.8 | 171 | -62 | 179.5 | 0 | 0 | 0 | 111.8 | T292 S293 | L290-T292 VanDerWaalsContact C-N 3.31Å; L290-T292 PolarHBondContact O-N 2.83Å; L290-S293 VanDerWaalsContact O-CB 3.3Å; L290-S293 WeakPolarHBondContact O-CB 3.44Å; L290-S293 PolarHBondContact O-N 2.59Å; L290-S293 PolarHBondContact O-OG 2.96Å |
| 291 | L | 95.3 | Very high | 88.6 | Confident | 55 Ų | 55 | 62.3 Ų | 62.3 | 29% | 0.288 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -62 | -38.6 | 176.4 | -62.7 | 173.5 | 0 | 0 | 0 | 111.4 | T289 S293 L294 H386 F388 | T289-L291 PolarHBondContact O-N 3.13Å; T289-L291 PolarHBondContact OG1-N 3.26Å; L291-S293 PolarHBondContact O-N 3.18Å; L291-L294 HydrophobicContact CD2-CD1 4.11Å; L291-L294 WeakPolarHBondContact O-CB 3.32Å; L291-L294 PolarHBondContact O-N 3.24Å; L291-H386 PolarHBondContact O-CD2 3.35Å; L291-H386 PolarHBondContact O-NE2 3.4Å; L291-F388 HydrophobicContact CD2-CD1 4.09Å; L291-F388 HydrophobicContact CD2-CG 4.47Å |
| 292 | T | 94.6 | Very high | 89.7 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 8% | 0.08 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -54.7 | -25.3 | 174.7 | -45.7 | 0 | 0 | 0 | 0 | 112.7 | R239 L246 V254 V288 T289 L290 L294 | R239-T292 PolarHBondContact NH2-O 3.24Å; L246-T292 HydrophobicContact CD2-CG2 4.34Å; V254-T292 WeakPolarHBondContact CG2-O 3.49Å; V288-T292 HydrophobicContact CG1-CG2 4.25Å; V288-T292 HydrophobicContact CG2-CG2 4.42Å; T289-T292 PolarHBondContact N-OG1 2.9Å; T289-T292 WeakPolarHBondContact O-CB 3.49Å; T289-T292 PolarHBondContact O-N 3.36Å; T289-T292 PolarHBondContact O-OG1 2.68Å; T289-T292 PolarHBondContact OG1-N 3.18Å; T289-T292 PolarHBondContact OG1-OG1 3.32Å; L290-T292 VanDerWaalsContact C-N 3.31Å; L290-T292 PolarHBondContact O-N 2.83Å; T292-L294 VanDerWaalsContact C-N 3.35Å |
| 293 | S | 93.9 | Very high | 90.5 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -72.9 | -26.8 | 178.4 | 81.3 | 0 | 0 | 0 | 0 | 113.5 | R219 L290 L291 | R219-S293 VanDerWaalsContact CZ-O 3.26Å; R219-S293 PolarHBondContact NE-O 3.16Å; R219-S293 PolarHBondContact NH2-O 2.91Å; L290-S293 VanDerWaalsContact O-CB 3.3Å; L290-S293 WeakPolarHBondContact O-CB 3.44Å; L290-S293 PolarHBondContact O-N 2.59Å; L290-S293 PolarHBondContact O-OG 2.96Å; L291-S293 PolarHBondContact O-N 3.18Å |
| 294 | L | 96.1 | Very high | 91.7 | Very high | 8 Ų | 8 | 54.2 Ų | 54.2 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -75.4 | 149.8 | -177.7 | -55.9 | 178.2 | 0 | 0 | 0 | 111 | L220 R239 L291 T292 E298 A299 L302 H386 | L220-L294 HydrophobicContact CD1-CD2 4.32Å; R239-L294 PolarHBondContact NH1-O 3.34Å; L291-L294 HydrophobicContact CD2-CD1 4.11Å; L291-L294 WeakPolarHBondContact O-CB 3.32Å; L291-L294 PolarHBondContact O-N 3.24Å; T292-L294 VanDerWaalsContact C-N 3.35Å; L294-E298 WeakPolarHBondContact CA-OE2 3.04Å; L294-E298 HydrophobicContact CB-CB 4.3Å; L294-E298 HydrophobicContact CD2-CB 4.21Å; L294-A299 HydrophobicContact CB-CB 4.4Å; L294-A299 HydrophobicContact CD1-CB 4.18Å; L294-L302 HydrophobicContact CD1-CD2 4.08Å; L294-H386 PolarHBondContact O-CD2 3.07Å |
| 295 | V | 96.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -90.9 | 159.9 | 159 | -60.4 | 0 | 0 | 0 | 0 | 110 | V216 Y229 V231 E235 V254 G297 E298 A299 | V216-V295 HydrophobicContact CG2-CG1 4.1Å; V216-V295 HydrophobicContact CG2-CG2 3.96Å; Y229-V295 HydrophobicContact CG-CG2 4.27Å; V231-V295 HydrophobicContact CG2-CB 4.08Å; V231-V295 HydrophobicContact CG2-CG1 3.67Å; V231-V295 HydrophobicContact CG2-CG2 4.38Å; E235-V295 VanDerWaalsContact OE1-CA 3.28Å; E235-V295 WeakPolarHBondContact OE1-CA 3.44Å; E235-V295 WeakPolarHBondContact OE1-CB 3.41Å; V254-V295 HydrophobicContact CG1-CG1 3.83Å; V295-G297 VanDerWaalsContact C-N 3.27Å; V295-G297 PolarHBondContact O-N 3.3Å; V295-E298 HydrophobicContact CG2-CB 4.41Å; V295-E298 HydrophobicContact CG2-CG 3.87Å; V295-E298 WeakPolarHBondContact CG2-OE2 3.36Å; V295-E298 PolarHBondContact N-OE2 3.05Å; V295-E298 WeakPolarHBondContact O-CB 3.15Å; V295-E298 PolarHBondContact O-N 3.16Å; V295-A299 PolarHBondContact O-N 3.33Å; V295-A299 VanDerWaalsContact O-N 3.08Å | ||
| 296 | E | 95.8 | Very high | 94 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.2 | -40.5 | -174 | -76.9 | 174.3 | -139.6 | 0 | 0 | 113.3 | E235 R238 E298 A299 V300 G362 H386 | E235-E296 WeakPolarHBondContact CB-OE1 3.41Å; E235-E296 HydrophobicContact CG-CG 4.23Å; E235-E296 WeakPolarHBondContact CG-OE1 3.34Å; E235-E296 PolarHBondContact OE1-N 2.93Å; E235-E296 VanDerWaalsContact OE1-N 3.1Å; E235-E296 PolarHBondContact OE2-N 2.92Å; R238-E296 IonicContact CZ-OE1 3.24Å; R238-E296 VanDerWaalsContact CZ-OE1 3.27Å; R238-E296 IonicContact NE-OE1 3.65Å; R238-E296 PolarHBondContact NE-OE1 3.37Å; R238-E296 IonicContact NH2-OE1 3.63Å; R238-E296 PolarHBondContact NH2-OE1 3.22Å; E296-E298 VanDerWaalsContact C-N 3.28Å; E296-E298 PolarHBondContact O-N 3.07Å; E296-A299 PolarHBondContact O-N 3.46Å; E296-V300 WeakPolarHBondContact O-CG2 3.36Å; E296-V300 PolarHBondContact O-N 3.16Å; E296-G362 WeakPolarHBondContact OE2-CA 3.33Å; E296-G362 PolarHBondContact OE2-N 3.24Å; E296-H386 HydrophobicContact CG-CB 3.93Å |
| 297 | G | 94.9 | Very high | 95.1 | Very high | 25 Ų | 25 | 55.1 Ų | 55.1 | 26% | 0.258 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.4 | -34.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y229 V295 H301 | Y229-G297 VanDerWaalsContact CD1-C 3.43Å; Y229-G297 VanDerWaalsContact CE1-C 3.47Å; Y229-G297 WeakPolarHBondContact CE1-O 3.29Å; V295-G297 VanDerWaalsContact C-N 3.27Å; V295-G297 PolarHBondContact O-N 3.3Å; G297-H301 WeakPolarHBondContact O-CB 3.44Å; G297-H301 PolarHBondContact O-CD2 2.89Å; G297-H301 PolarHBondContact O-N 3.46Å; G297-H301 VanDerWaalsContact O-N 3.15Å |
| 298 | E | 95.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 3% | 0.028 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.2 | -42 | 174.9 | -68.8 | 175.5 | 123.3 | 0 | 0 | 111.9 | G218 R219 Y229 R256 L294 V295 E296 V300 H301 L302 | G218-E298 WeakPolarHBondContact CA-OE1 3.38Å; R219-E298 PolarHBondContact N-OE1 3.47Å; Y229-E298 HydrophobicContact CD1-CG 4.05Å; Y229-E298 HydrophobicContact CD2-CG 3.46Å; Y229-E298 VanDerWaalsContact CD2-CG 3.46Å; Y229-E298 HydrophobicContact CE1-CG 4.04Å; Y229-E298 HydrophobicContact CE2-CG 3.47Å; Y229-E298 VanDerWaalsContact CE2-CG 3.47Å; Y229-E298 HydrophobicContact CG-CG 3.76Å; R256-E298 IonicContact CZ-OE1 3.66Å; R256-E298 IonicContact CZ-OE2 4Å; R256-E298 IonicContact NH1-OE1 3.74Å; R256-E298 IonicContact NH2-OE1 2.76Å; R256-E298 PolarHBondContact NH2-OE1 2.89Å; R256-E298 IonicContact NH2-OE2 2.72Å; R256-E298 PolarHBondContact NH2-OE2 3.35Å; L294-E298 WeakPolarHBondContact CA-OE2 3.04Å; L294-E298 HydrophobicContact CB-CB 4.3Å; L294-E298 HydrophobicContact CD2-CB 4.21Å; V295-E298 HydrophobicContact CG2-CB 4.41Å; V295-E298 HydrophobicContact CG2-CG 3.87Å; V295-E298 WeakPolarHBondContact CG2-OE2 3.36Å; V295-E298 PolarHBondContact N-OE2 3.05Å; V295-E298 WeakPolarHBondContact O-CB 3.15Å; V295-E298 PolarHBondContact O-N 3.16Å; E296-E298 VanDerWaalsContact C-N 3.28Å; E296-E298 PolarHBondContact O-N 3.07Å; E298-V300 VanDerWaalsContact C-N 3.34Å; E298-V300 PolarHBondContact O-N 3.13Å; E298-H301 PolarHBondContact O-N 2.92Å; E298-L302 VanDerWaalsContact O-CB 3.27Å; E298-L302 WeakPolarHBondContact O-CB 3.47Å; E298-L302 PolarHBondContact O-N 2.97Å |
| 299 | A | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L294 V295 E296 A303 H386 F388 | L294-A299 HydrophobicContact CB-CB 4.4Å; L294-A299 HydrophobicContact CD1-CB 4.18Å; V295-A299 PolarHBondContact O-N 3.33Å; V295-A299 VanDerWaalsContact O-N 3.08Å; E296-A299 PolarHBondContact O-N 3.46Å; A299-A303 WeakPolarHBondContact O-CB 3.41Å; A299-A303 PolarHBondContact O-N 3.33Å; A299-H386 HydrophobicContact CB-CB 3.87Å; A299-H386 VanDerWaalsContact CB-O 3.32Å; A299-H386 WeakPolarHBondContact CB-O 3.3Å; A299-F388 HydrophobicContact CB-CB 4.07Å |
| 300 | V | 94.4 | Very high | 96.4 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 42% | 0.418 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 112 | E296 E298 A303 R304 | E296-V300 WeakPolarHBondContact O-CG2 3.36Å; E296-V300 PolarHBondContact O-N 3.16Å; E298-V300 VanDerWaalsContact C-N 3.34Å; E298-V300 PolarHBondContact O-N 3.13Å; V300-A303 PolarHBondContact O-N 2.94Å; V300-R304 PolarHBondContact O-N 2.99Å; V300-R304 VanDerWaalsContact O-N 3.13Å |
| 301 | H | 95.4 | Very high | 96.5 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 33% | 0.333 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.8 | -46 | 174.4 | -80.6 | -158.7 | 0 | 0 | 0 | 111.8 | Y229 G297 E298 A303 R304 D305 | Y229-H301 HydrophobicContact CE1-CB 4.4Å; Y229-H301 AromaticContact CE1-CE1 3.91Å; Y229-H301 AromaticContact CE1-CG 3.91Å; Y229-H301 AromaticContact CE1-ND1 3.46Å; Y229-H301 WeakPolarHBondContact CE1-ND1 3.5Å; Y229-H301 AromaticContact CZ-ND1 3.81Å; Y229-H301 PolarHBondContact OH-ND1 3.43Å; G297-H301 WeakPolarHBondContact O-CB 3.44Å; G297-H301 PolarHBondContact O-CD2 2.89Å; G297-H301 PolarHBondContact O-N 3.46Å; G297-H301 VanDerWaalsContact O-N 3.15Å; E298-H301 PolarHBondContact O-N 2.92Å; H301-A303 VanDerWaalsContact C-N 3.26Å; H301-A303 PolarHBondContact O-N 3.35Å; H301-R304 WeakPolarHBondContact O-CB 3.45Å; H301-R304 PolarHBondContact O-N 3.04Å; H301-D305 PolarHBondContact O-N 3.49Å |
| 302 | L | 97.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 53.6 Ų | 53.6 | 30% | 0.298 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 176.6 | 179.8 | 62.9 | 0 | 0 | 0 | 112.1 | L220 L294 E298 F306 F388 | L220-L302 HydrophobicContact CD1-CD1 4.04Å; L220-L302 HydrophobicContact CD1-CD2 4.07Å; L220-L302 HydrophobicContact CD1-CG 4.5Å; L294-L302 HydrophobicContact CD1-CD2 4.08Å; E298-L302 VanDerWaalsContact O-CB 3.27Å; E298-L302 WeakPolarHBondContact O-CB 3.47Å; E298-L302 PolarHBondContact O-N 2.97Å; L302-F306 VanDerWaalsContact O-CB 3.29Å; L302-F306 WeakPolarHBondContact O-CB 3.44Å; L302-F306 PolarHBondContact O-N 3.35Å; L302-F388 HydrophobicContact CB-CD2 4.26Å; L302-F388 HydrophobicContact CB-CE2 4.49Å; L302-F388 HydrophobicContact CD2-CD2 4.08Å; L302-F388 HydrophobicContact CD2-CE2 4.03Å; L302-F388 HydrophobicContact CG-CD2 4Å; L302-F388 HydrophobicContact CG-CE2 3.8Å |
| 303 | A | 97.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 59.1 Ų | 59.1 | 5% | 0.05 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A299 V300 H301 G307 F388 P391 | A299-A303 WeakPolarHBondContact O-CB 3.41Å; A299-A303 PolarHBondContact O-N 3.33Å; V300-A303 PolarHBondContact O-N 2.94Å; H301-A303 VanDerWaalsContact C-N 3.26Å; H301-A303 PolarHBondContact O-N 3.35Å; A303-G307 PolarHBondContact O-N 3.2Å; A303-F388 HydrophobicContact CB-CD2 3.71Å; A303-F388 HydrophobicContact CB-CE2 4.28Å; A303-F388 HydrophobicContact CB-CG 4.5Å; A303-P391 HydrophobicContact CB-CB 4.03Å |
| 304 | R | 96.8 | Very high | 97 | Very high | 159 Ų | 159 | 61.6 Ų | 61.6 | 60% | 0.6 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.3 | -48.9 | 174 | -177 | -170.5 | -64.4 | 159.6 | -0.2 | 111 | V300 H301 F306 G307 Y308 | V300-R304 PolarHBondContact O-N 2.99Å; V300-R304 VanDerWaalsContact O-N 3.13Å; H301-R304 WeakPolarHBondContact O-CB 3.45Å; H301-R304 PolarHBondContact O-N 3.04Å; R304-F306 PolarHBondContact O-N 3.11Å; R304-G307 PolarHBondContact O-N 3.35Å; R304-G307 VanDerWaalsContact O-N 3.16Å; R304-Y308 PolarHBondContact O-N 2.88Å |
| 305 | D | 97 | Very high | 97.1 | Very high | 99 Ų | 99 | 64.7 Ų | 64.7 | 53% | 0.529 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | -178.3 | -64.3 | -9.5 | 0 | 0 | 0 | 111 | H301 Y308 V309 | H301-D305 PolarHBondContact O-N 3.49Å; D305-Y308 PolarHBondContact O-N 3.42Å; D305-V309 WeakPolarHBondContact O-CG2 3.34Å; D305-V309 PolarHBondContact O-N 3.28Å |
| 306 | F | 98.4 | Very high | 97.1 | Very high | 84 Ų | 84 | 65.3 Ų | 65.3 | 37% | 0.368 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 171.2 | -179.7 | -106.9 | 0 | 0 | 0 | 112 | L302 R304 Y308 V309 C310 A392 A395 | L302-F306 VanDerWaalsContact O-CB 3.29Å; L302-F306 WeakPolarHBondContact O-CB 3.44Å; L302-F306 PolarHBondContact O-N 3.35Å; R304-F306 PolarHBondContact O-N 3.11Å; F306-Y308 PolarHBondContact O-N 3.38Å; F306-V309 PolarHBondContact O-N 3.05Å; F306-C310 VanDerWaalsContact CZ-SG 3.59Å; F306-C310 WeakPolarHBondContact O-CB 3.28Å; F306-C310 PolarHBondContact O-N 3.01Å; F306-C310 PolarHBondContact O-SG 3.49Å; F306-A392 HydrophobicContact CD1-CB 4Å; F306-A392 HydrophobicContact CE1-CB 4.2Å; F306-A395 HydrophobicContact CD1-CB 4.03Å; F306-A395 HydrophobicContact CE1-CB 4.1Å |
| 307 | G | 98.3 | Very high | 97.2 | Very high | 20 Ų | 20 | 70.2 Ų | 70.2 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A303 R304 C310 E311 | A303-G307 PolarHBondContact O-N 3.2Å; R304-G307 PolarHBondContact O-N 3.35Å; R304-G307 VanDerWaalsContact O-N 3.16Å; G307-C310 WeakPolarHBondContact O-CB 3.27Å; G307-C310 PolarHBondContact O-N 2.77Å; G307-E311 PolarHBondContact O-N 2.77Å |
| 308 | Y | 98.4 | Very high | 97.3 | Very high | 145 Ų | 145 | 72 Ų | 72 | 57% | 0.569 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.2 | -50 | 175.5 | 178.2 | -92.6 | 0 | 0 | 0 | 111.6 | R304 D305 F306 C310 E311 T312 | R304-Y308 PolarHBondContact O-N 2.88Å; D305-Y308 PolarHBondContact O-N 3.42Å; F306-Y308 PolarHBondContact O-N 3.38Å; Y308-C310 VanDerWaalsContact C-N 3.3Å; Y308-C310 PolarHBondContact O-N 3.49Å; Y308-E311 PolarHBondContact O-N 3.22Å; Y308-T312 HydrophobicContact CD1-CG2 4.47Å; Y308-T312 HydrophobicContact CD2-CG2 4.15Å; Y308-T312 HydrophobicContact CE1-CG2 4.05Å; Y308-T312 HydrophobicContact CE2-CG2 3.72Å; Y308-T312 PolarHBondContact O-N 2.96Å; Y308-T312 PolarHBondContact O-OG1 3.39Å |
| 309 | V | 98.4 | Very high | 97.4 | Very high | 76 Ų | 76 | 74.1 Ų | 74.1 | 46% | 0.461 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 177.7 | 173.9 | 0 | 0 | 0 | 0 | 111.8 | D305 F306 E311 E313 F314 | D305-V309 WeakPolarHBondContact O-CG2 3.34Å; D305-V309 PolarHBondContact O-N 3.28Å; F306-V309 PolarHBondContact O-N 3.05Å; V309-E311 VanDerWaalsContact C-N 3.28Å; V309-E311 PolarHBondContact O-N 3.05Å; V309-E313 HydrophobicContact CG1-CB 4.05Å; V309-E313 HydrophobicContact CG1-CG 4.03Å; V309-E313 WeakPolarHBondContact O-CB 3.4Å; V309-E313 PolarHBondContact O-N 2.89Å; V309-F314 PolarHBondContact O-N 3.25Å |
| 310 | C | 98.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 74.1 Ų | 74.1 | 12% | 0.122 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.3 | -26.7 | 172.3 | -79 | 0 | 0 | 0 | 0 | 113.9 | F306 G307 Y308 F314 A395 A399 | F306-C310 VanDerWaalsContact CZ-SG 3.59Å; F306-C310 WeakPolarHBondContact O-CB 3.28Å; F306-C310 PolarHBondContact O-N 3.01Å; F306-C310 PolarHBondContact O-SG 3.49Å; G307-C310 WeakPolarHBondContact O-CB 3.27Å; G307-C310 PolarHBondContact O-N 2.77Å; Y308-C310 VanDerWaalsContact C-N 3.3Å; Y308-C310 PolarHBondContact O-N 3.49Å; C310-F314 VanDerWaalsContact O-CB 3.32Å; C310-F314 WeakPolarHBondContact O-CB 3.16Å; C310-A395 HydrophobicContact CB-CB 4.3Å; C310-A399 HydrophobicContact CB-CB 4.28Å |
| 311 | E | 96.3 | Very high | 97.3 | Very high | 150 Ų | 150 | 74.7 Ų | 74.7 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -87.5 | -41 | 178 | -173.2 | 170 | -169.3 | 0 | 0 | 112.5 | G307 Y308 V309 | G307-E311 PolarHBondContact O-N 2.77Å; Y308-E311 PolarHBondContact O-N 3.22Å; V309-E311 VanDerWaalsContact C-N 3.28Å; V309-E311 PolarHBondContact O-N 3.05Å |
| 312 | T | 97.7 | Very high | 97.2 | Very high | 63 Ų | 63 | 77.2 Ų | 77.2 | 39% | 0.387 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -94.4 | -40.1 | -173.4 | 66.9 | 0 | 0 | 0 | 0 | 114.3 | Y308 | Y308-T312 HydrophobicContact CD1-CG2 4.47Å; Y308-T312 HydrophobicContact CD2-CG2 4.15Å; Y308-T312 HydrophobicContact CE1-CG2 4.05Å; Y308-T312 HydrophobicContact CE2-CG2 3.72Å; Y308-T312 PolarHBondContact O-N 2.96Å; Y308-T312 PolarHBondContact O-OG1 3.39Å |
| 313 | E | 97.9 | Very high | 97.1 | Very high | 129 Ų | 129 | 77 Ų | 77 | 60% | 0.603 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -20.7 | -170.6 | -50 | -49.3 | 123.2 | 0 | 0 | 113.6 | V309 P315 | V309-E313 HydrophobicContact CG1-CB 4.05Å; V309-E313 HydrophobicContact CG1-CG 4.03Å; V309-E313 WeakPolarHBondContact O-CB 3.4Å; V309-E313 PolarHBondContact O-N 2.89Å; E313-P315 WeakPolarHBondContact O-CD 3.46Å |
| 314 | F | 98.1 | Very high | 96.7 | Very high | 92 Ų | 92 | 76.9 Ų | 76.9 | 40% | 0.404 | 39% | 0.385 | S | S | . | . | trans | -67.1 | 122.6 | -177 | -175.3 | -101.6 | 0 | 0 | 0 | 111.1 | V309 C310 A316 A399 | V309-F314 PolarHBondContact O-N 3.25Å; C310-F314 VanDerWaalsContact O-CB 3.32Å; C310-F314 WeakPolarHBondContact O-CB 3.16Å; F314-A316 HydrophobicContact CD1-CB 4Å; F314-A316 HydrophobicContact CE1-CB 4.25Å; F314-A316 PolarHBondContact O-N 3.01Å; F314-A399 HydrophobicContact CB-CB 4.38Å; F314-A399 HydrophobicContact CD1-CB 3.78Å; F314-A399 HydrophobicContact CE1-CB 4.19Å; F314-A399 HydrophobicContact CG-CB 3.97Å | ||
| 315 | P | 98.1 | Very high | 96.3 | Very high | 73 Ų | 73 | 77.7 Ų | 77.7 | 47% | 0.474 | 39% | 0.388 | S | S | . | . | trans | -81 | 47.4 | -167.7 | 33.7 | -38.1 | 0 | 0 | 0 | 113.6 | E313 K317 A318 V319 | E313-P315 WeakPolarHBondContact O-CD 3.46Å; P315-K317 VanDerWaalsContact C-N 3.27Å; P315-K317 PolarHBondContact O-N 3.06Å; P315-K317 VanDerWaalsContact O-N 3.12Å; P315-A318 HydrophobicContact CB-CB 4.36Å; P315-A318 PolarHBondContact O-N 3.43Å; P315-V319 HydrophobicContact CG-CG2 4.13Å; P315-V319 WeakPolarHBondContact O-CG2 3.41Å; P315-V319 PolarHBondContact O-N 2.89Å | ||
| 316 | A | 98 | Very high | 95.8 | Very high | 13 Ų | 13 | 79 Ų | 79 | 11% | 0.107 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -45.5 | -47.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | F314 A320 N402 | F314-A316 HydrophobicContact CD1-CB 4Å; F314-A316 HydrophobicContact CE1-CB 4.25Å; F314-A316 PolarHBondContact O-N 3.01Å; A316-A320 VanDerWaalsContact O-CB 3.27Å; A316-A320 WeakPolarHBondContact O-CB 3.34Å; A316-A320 PolarHBondContact O-N 3.33Å; A316-N402 HydrophobicContact CB-CB 4.09Å |
| 317 | K | 97 | Very high | 95.2 | Very high | 119 Ų | 119 | 76.9 Ų | 76.9 | 52% | 0.517 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 179.6 | -176.7 | -179.2 | 169 | -172.9 | 0 | 112.9 | P315 V319 A320 E321 E406 | P315-K317 VanDerWaalsContact C-N 3.27Å; P315-K317 PolarHBondContact O-N 3.06Å; P315-K317 VanDerWaalsContact O-N 3.12Å; K317-V319 VanDerWaalsContact C-N 3.35Å; K317-V319 PolarHBondContact O-N 3.29Å; K317-A320 WeakPolarHBondContact O-CB 3.29Å; K317-A320 PolarHBondContact O-N 2.88Å; K317-E321 WeakPolarHBondContact CE-OE1 3.28Å; K317-E321 HydrophobicContact CG-CG 4.5Å; K317-E321 IonicContact NZ-OE1 2.64Å; K317-E321 WeakPolarHBondContact O-CG 3.39Å; K317-E321 PolarHBondContact O-N 2.84Å; K317-E406 HydrophobicContact CB-CB 4.41Å; K317-E406 HydrophobicContact CB-CG 4.02Å |
| 318 | A | 97.2 | Very high | 94.3 | Very high | 61 Ų | 61 | 79.9 Ų | 79.9 | 50% | 0.504 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67 | -38.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P315 E321 F322 | P315-A318 HydrophobicContact CB-CB 4.36Å; P315-A318 PolarHBondContact O-N 3.43Å; A318-E321 PolarHBondContact O-N 3.3Å; A318-F322 WeakPolarHBondContact O-CB 3.23Å; A318-F322 PolarHBondContact O-N 2.9Å |
| 319 | V | 97.3 | Very high | 93.7 | Very high | 51 Ų | 51 | 76 Ų | 76 | 31% | 0.309 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 174.1 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | P315 K317 F322 L323 Y403 | P315-V319 HydrophobicContact CG-CG2 4.13Å; P315-V319 WeakPolarHBondContact O-CG2 3.41Å; P315-V319 PolarHBondContact O-N 2.89Å; K317-V319 VanDerWaalsContact C-N 3.35Å; K317-V319 PolarHBondContact O-N 3.29Å; V319-F322 PolarHBondContact O-N 3.49Å; V319-L323 HydrophobicContact CG1-CD1 3.92Å; V319-L323 HydrophobicContact CG1-CG 4.5Å; V319-L323 WeakPolarHBondContact O-CG 3.23Å; V319-L323 PolarHBondContact O-N 2.61Å; V319-Y403 HydrophobicContact CB-CD2 4.18Å; V319-Y403 HydrophobicContact CG1-CD2 3.79Å; V319-Y403 HydrophobicContact CG1-CE2 3.89Å |
| 320 | A | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A316 K317 F322 N324 Y403 E406 A407 | A316-A320 VanDerWaalsContact O-CB 3.27Å; A316-A320 WeakPolarHBondContact O-CB 3.34Å; A316-A320 PolarHBondContact O-N 3.33Å; K317-A320 WeakPolarHBondContact O-CB 3.29Å; K317-A320 PolarHBondContact O-N 2.88Å; A320-F322 VanDerWaalsContact C-N 3.3Å; A320-F322 PolarHBondContact O-N 3.4Å; A320-N324 VanDerWaalsContact O-CB 3.31Å; A320-N324 WeakPolarHBondContact O-CB 3.42Å; A320-N324 PolarHBondContact O-N 2.93Å; A320-Y403 HydrophobicContact CB-CD2 3.95Å; A320-Y403 HydrophobicContact CB-CE2 4.15Å; A320-E406 HydrophobicContact CB-CB 3.69Å; A320-A407 HydrophobicContact CB-CB 4Å |
| 321 | E | 93.8 | Very high | 92.4 | Very high | 81 Ų | 81 | 82 Ų | 82 | 38% | 0.379 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.8 | -31.9 | 177.4 | -74 | -178.5 | -179 | 0 | 0 | 112.8 | K317 A318 R325 | K317-E321 WeakPolarHBondContact CE-OE1 3.28Å; K317-E321 HydrophobicContact CG-CG 4.5Å; K317-E321 IonicContact NZ-OE1 2.64Å; K317-E321 WeakPolarHBondContact O-CG 3.39Å; K317-E321 PolarHBondContact O-N 2.84Å; A318-E321 PolarHBondContact O-N 3.3Å; E321-R325 WeakPolarHBondContact O-CD 3.45Å; E321-R325 VanDerWaalsContact O-CG 3.31Å; E321-R325 WeakPolarHBondContact O-CG 3.34Å; E321-R325 PolarHBondContact O-NE 2.75Å |
| 322 | F | 94.1 | Very high | 92 | Very high | 125 Ų | 125 | 80.1 Ų | 80.1 | 55% | 0.548 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.5 | -52 | 175.8 | 178.9 | -97.6 | 0 | 0 | 0 | 111.8 | A318 V319 A320 R325 | A318-F322 WeakPolarHBondContact O-CB 3.23Å; A318-F322 PolarHBondContact O-N 2.9Å; V319-F322 PolarHBondContact O-N 3.49Å; A320-F322 VanDerWaalsContact C-N 3.3Å; A320-F322 PolarHBondContact O-N 3.4Å; F322-R325 WeakPolarHBondContact O-CB 3.32Å; F322-R325 PolarHBondContact O-N 3.31Å |
| 323 | L | 93.3 | Very high | 91.6 | Very high | 52 Ų | 52 | 78 Ų | 78 | 27% | 0.272 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.3 | -34.7 | -176.1 | -69.8 | 175.6 | 0 | 0 | 0 | 112.7 | V319 R325 Q326 Y403 | V319-L323 HydrophobicContact CG1-CD1 3.92Å; V319-L323 HydrophobicContact CG1-CG 4.5Å; V319-L323 WeakPolarHBondContact O-CG 3.23Å; V319-L323 PolarHBondContact O-N 2.61Å; L323-R325 PolarHBondContact O-N 3.34Å; L323-Q326 WeakPolarHBondContact O-CB 3.37Å; L323-Q326 PolarHBondContact O-N 3.12Å; L323-Q326 VanDerWaalsContact O-N 3.13Å; L323-Y403 HydrophobicContact CD1-CE2 3.88Å; L323-Y403 WeakPolarHBondContact CD1-OH 3.43Å |
| 324 | N | 90.8 | Very high | 91.2 | Very high | 4 Ų | 4 | 76.5 Ų | 76.5 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.3 | -23.6 | 178 | -82.3 | -1.7 | 0 | 0 | 0 | 113.9 | A320 Q326 H327 A407 A410 M414 | A320-N324 VanDerWaalsContact O-CB 3.31Å; A320-N324 WeakPolarHBondContact O-CB 3.42Å; A320-N324 PolarHBondContact O-N 2.93Å; N324-Q326 PolarHBondContact O-N 3.2Å; N324-H327 PolarHBondContact O-N 3.13Å; N324-A407 PolarHBondContact ND2-O 3.07Å; N324-A410 WeakPolarHBondContact ND2-CB 3.43Å; N324-M414 HydrophobicContact CB-CE 4.03Å |
| 325 | R | 88.2 | Confident | 91 | Very high | 176 Ų | 176 | 76.2 Ų | 76.2 | 66% | 0.664 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.9 | 174.5 | -66.8 | 164.3 | -162.7 | -162.8 | 1 | 112.8 | E321 F322 L323 H327 | E321-R325 WeakPolarHBondContact O-CD 3.45Å; E321-R325 VanDerWaalsContact O-CG 3.31Å; E321-R325 WeakPolarHBondContact O-CG 3.34Å; E321-R325 PolarHBondContact O-NE 2.75Å; F322-R325 WeakPolarHBondContact O-CB 3.32Å; F322-R325 PolarHBondContact O-N 3.31Å; L323-R325 PolarHBondContact O-N 3.34Å; R325-H327 VanDerWaalsContact C-N 3.27Å |
| 326 | Q | 86.7 | Confident | 90.8 | Very high | 126 Ų | 126 | 75 Ų | 75 | 59% | 0.589 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -9.3 | 177 | -56.6 | -178.4 | -11.3 | 0 | 0 | 112.7 | L323 N324 | L323-Q326 WeakPolarHBondContact O-CB 3.37Å; L323-Q326 PolarHBondContact O-N 3.12Å; L323-Q326 VanDerWaalsContact O-N 3.13Å; N324-Q326 PolarHBondContact O-N 3.2Å |
| 327 | H | 84.1 | Confident | 90.6 | Very high | 41 Ų | 41 | 77.9 Ų | 77.9 | 19% | 0.19 | 40% | 0.4 | C | S | . | . | trans | -119.8 | 55.5 | -176.9 | -60.8 | -63.6 | 0 | 0 | 0 | 111.1 | N324 R325 R336 | N324-H327 PolarHBondContact O-N 3.13Å; R325-H327 VanDerWaalsContact C-N 3.27Å; H327-R336 HydrophobicContact CB-CG 4.27Å; H327-R336 PolarHBondContact CD2-NE 2.95Å; H327-R336 PolarHBondContact NE2-NE 3.05Å; H327-R336 PolarHBondContact NE2-NH2 2.9Å; H327-R336 VanDerWaalsContact NE2-NH2 3.16Å | ||
| 328 | S | 80.4 | Confident | 90.5 | Very high | 82 Ų | 82 | 76.7 Ų | 76.7 | 57% | 0.573 | 40% | 0.4 | S | S | * | . | trans | -83.9 | -20.1 | -177.9 | 53.5 | 0 | 0 | 0 | 0 | 114.5 | P330 | S328-P330 VanDerWaalsContact O-CD 3.29Å; S328-P330 WeakPolarHBondContact O-CD 3.3Å | ||
| 329 | D | 85.6 | Confident | 90.5 | Very high | 65 Ų | 65 | 78.2 Ų | 78.2 | 35% | 0.348 | 40% | 0.398 | S | S | . | . | trans | -62.4 | 116.2 | -179 | -172.5 | -19.5 | 0 | 0 | 0 | 111.3 | N331 E332 Q333 | D329-N331 PolarHBondContact O-N 3.16Å; D329-N331 WeakPolarHBondContact OD1-CB 3.45Å; D329-N331 PolarHBondContact OD1-N 3.19Å; D329-N331 PolarHBondContact OD1-ND2 3.38Å; D329-E332 HydrophobicContact CB-CB 4.43Å; D329-E332 HydrophobicContact CB-CG 4.27Å; D329-E332 PolarHBondContact O-N 3.26Å; D329-E332 VanDerWaalsContact O-N 3.11Å; D329-Q333 WeakPolarHBondContact O-CG 3.41Å; D329-Q333 PolarHBondContact O-N 3.43Å | ||
| 330 | P | 83.8 | Confident | 90.5 | Very high | 85 Ų | 85 | 76.1 Ų | 76.1 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -55 | -31.6 | 177.7 | -25.8 | 35.9 | 0 | 0 | 0 | 114.3 | S328 E332 Q333 | S328-P330 VanDerWaalsContact O-CD 3.29Å; S328-P330 WeakPolarHBondContact O-CD 3.3Å; P330-E332 VanDerWaalsContact C-N 3.31Å; P330-E332 PolarHBondContact O-N 2.87Å; P330-Q333 PolarHBondContact O-N 2.94Å |
| 331 | N | 86 | Confident | 90.6 | Very high | 135 Ų | 135 | 80.1 Ų | 80.1 | 72% | 0.722 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.9 | -31.6 | -179 | -57.6 | -60.9 | 0 | 0 | 0 | 112 | D329 | D329-N331 PolarHBondContact O-N 3.16Å; D329-N331 WeakPolarHBondContact OD1-CB 3.45Å; D329-N331 PolarHBondContact OD1-N 3.19Å; D329-N331 PolarHBondContact OD1-ND2 3.38Å |
| 332 | E | 88.4 | Confident | 90.8 | Very high | 109 Ų | 109 | 78.8 Ų | 78.8 | 51% | 0.509 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -89.3 | -16 | -179.8 | -61.2 | -163.9 | 155.3 | 0 | 0 | 113.3 | D329 P330 V334 T335 R336 | D329-E332 HydrophobicContact CB-CB 4.43Å; D329-E332 HydrophobicContact CB-CG 4.27Å; D329-E332 PolarHBondContact O-N 3.26Å; D329-E332 VanDerWaalsContact O-N 3.11Å; P330-E332 VanDerWaalsContact C-N 3.31Å; P330-E332 PolarHBondContact O-N 2.87Å; E332-V334 VanDerWaalsContact C-N 3.32Å; E332-V334 PolarHBondContact O-N 3.33Å; E332-T335 PolarHBondContact O-N 2.95Å; E332-R336 WeakPolarHBondContact O-CB 3.25Å; E332-R336 PolarHBondContact O-N 2.83Å |
| 333 | Q | 87.5 | Confident | 91 | Very high | 18 Ų | 18 | 75.8 Ų | 75.8 | 8% | 0.084 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.4 | -40.3 | -174.4 | -73.4 | -172.8 | 18.4 | 0 | 0 | 113.3 | D329 P330 R336 K337 M411 | D329-Q333 WeakPolarHBondContact O-CG 3.41Å; D329-Q333 PolarHBondContact O-N 3.43Å; P330-Q333 PolarHBondContact O-N 2.94Å; Q333-R336 PolarHBondContact O-N 3.15Å; Q333-K337 VanDerWaalsContact O-CB 3.31Å; Q333-K337 WeakPolarHBondContact O-CB 3.14Å; Q333-K337 PolarHBondContact O-N 3.37Å; Q333-M411 HydrophobicContact CB-CE 4.12Å; Q333-M411 HydrophobicContact CG-CE 4.41Å; Q333-M411 WeakPolarHBondContact O-CE 3.18Å |
| 334 | V | 91 | Very high | 91.2 | Very high | 98 Ų | 98 | 76.4 Ų | 76.4 | 59% | 0.594 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.8 | -49 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | E332 R336 K337 N338 | E332-V334 VanDerWaalsContact C-N 3.32Å; E332-V334 PolarHBondContact O-N 3.33Å; V334-R336 VanDerWaalsContact C-N 3.33Å; V334-R336 PolarHBondContact O-N 3.3Å; V334-K337 PolarHBondContact O-N 3.18Å; V334-N338 VanDerWaalsContact O-CG 3.28Å; V334-N338 PolarHBondContact O-N 2.95Å; V334-N338 PolarHBondContact O-ND2 3.05Å |
| 335 | T | 93.1 | Very high | 91.6 | Very high | 87 Ų | 87 | 80.7 Ų | 80.7 | 53% | 0.534 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 176.5 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | E332 N338 M339 | E332-T335 PolarHBondContact O-N 2.95Å; T335-N338 PolarHBondContact O-N 3.22Å; T335-M339 HydrophobicContact CG2-CE 4.34Å; T335-M339 WeakPolarHBondContact O-CG 3.43Å; T335-M339 PolarHBondContact O-N 2.95Å |
| 336 | R | 93.7 | Very high | 92.1 | Very high | 47 Ų | 47 | 77.6 Ų | 77.6 | 18% | 0.177 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 178.2 | -178.1 | 58.7 | 176.5 | -173 | -4.9 | 112.5 | H327 E332 Q333 V334 N338 M339 L340 M411 | H327-R336 HydrophobicContact CB-CG 4.27Å; H327-R336 PolarHBondContact CD2-NE 2.95Å; H327-R336 PolarHBondContact NE2-NE 3.05Å; H327-R336 PolarHBondContact NE2-NH2 2.9Å; H327-R336 VanDerWaalsContact NE2-NH2 3.16Å; E332-R336 WeakPolarHBondContact O-CB 3.25Å; E332-R336 PolarHBondContact O-N 2.83Å; Q333-R336 PolarHBondContact O-N 3.15Å; V334-R336 VanDerWaalsContact C-N 3.33Å; V334-R336 PolarHBondContact O-N 3.3Å; R336-N338 VanDerWaalsContact C-N 3.35Å; R336-M339 HydrophobicContact CB-CE 4.4Å; R336-M339 PolarHBondContact O-N 2.96Å; R336-L340 WeakPolarHBondContact O-CG 3.34Å; R336-L340 PolarHBondContact O-N 3.44Å; R336-M411 HydrophobicContact CB-CE 3.96Å; R336-M411 HydrophobicContact CG-CE 3.96Å; R336-M411 HydrophobicContact CG-SD 3.96Å |
| 337 | K | 93.8 | Very high | 92.6 | Very high | 73 Ų | 73 | 72.3 Ų | 72.3 | 32% | 0.317 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 175.4 | -175.9 | 167.4 | -179.8 | 168.4 | 0 | 111.2 | Q333 V334 L340 L341 L408 M411 D412 | Q333-K337 VanDerWaalsContact O-CB 3.31Å; Q333-K337 WeakPolarHBondContact O-CB 3.14Å; Q333-K337 PolarHBondContact O-N 3.37Å; V334-K337 PolarHBondContact O-N 3.18Å; K337-L340 PolarHBondContact O-N 3.23Å; K337-L341 HydrophobicContact CG-CD1 4.27Å; K337-L341 WeakPolarHBondContact O-CG 3.41Å; K337-L341 PolarHBondContact O-N 3.48Å; K337-L408 HydrophobicContact CG-CD2 3.89Å; K337-M411 HydrophobicContact CB-CE 3.98Å; K337-M411 HydrophobicContact CB-SD 4.33Å; K337-D412 IonicContact NZ-OD1 3.42Å; K337-D412 PolarHBondContact NZ-OD1 2.96Å; K337-D412 IonicContact NZ-OD2 3.03Å |
| 338 | N | 96 | Very high | 93.3 | Very high | 95 Ų | 95 | 75 Ų | 75 | 51% | 0.508 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.8 | -41.8 | 176.2 | -69.9 | -14.5 | 0 | 0 | 0 | 112.1 | V334 T335 R336 L341 A342 | V334-N338 VanDerWaalsContact O-CG 3.28Å; V334-N338 PolarHBondContact O-N 2.95Å; V334-N338 PolarHBondContact O-ND2 3.05Å; T335-N338 PolarHBondContact O-N 3.22Å; R336-N338 VanDerWaalsContact C-N 3.35Å; N338-L341 PolarHBondContact O-N 2.65Å; N338-A342 WeakPolarHBondContact O-CB 3.27Å; N338-A342 PolarHBondContact O-N 3.25Å |
| 339 | M | 96.6 | Very high | 94.1 | Very high | 93 Ų | 93 | 76.1 Ų | 76.1 | 46% | 0.458 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.7 | -46.3 | 173.6 | -73.1 | -171.1 | -70.4 | 0 | 0 | 112 | T335 R336 L341 A342 T343 | T335-M339 HydrophobicContact CG2-CE 4.34Å; T335-M339 WeakPolarHBondContact O-CG 3.43Å; T335-M339 PolarHBondContact O-N 2.95Å; R336-M339 HydrophobicContact CB-CE 4.4Å; R336-M339 PolarHBondContact O-N 2.96Å; M339-L341 PolarHBondContact O-N 3.03Å; M339-A342 PolarHBondContact O-N 3.13Å; M339-T343 PolarHBondContact O-N 2.84Å; M339-T343 PolarHBondContact O-OG1 2.73Å |
| 340 | L | 96.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 77.5 Ų | 77.5 | 3% | 0.031 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 177.8 | -69.6 | 174.6 | 0 | 0 | 0 | 112.5 | R336 K337 K344 L404 A407 L408 M411 | R336-L340 WeakPolarHBondContact O-CG 3.34Å; R336-L340 PolarHBondContact O-N 3.44Å; K337-L340 PolarHBondContact O-N 3.23Å; L340-K344 VanDerWaalsContact O-CB 3.31Å; L340-K344 WeakPolarHBondContact O-CB 3.28Å; L340-K344 PolarHBondContact O-N 3.08Å; L340-L404 HydrophobicContact CD2-CD2 3.6Å; L340-A407 HydrophobicContact CD1-CB 3.9Å; L340-A407 HydrophobicContact CD2-CB 4.25Å; L340-L408 HydrophobicContact CB-CD2 3.81Å; L340-L408 HydrophobicContact CB-CG 4.12Å; L340-L408 HydrophobicContact CD1-CD2 4.13Å; L340-L408 HydrophobicContact CD1-CG 4.33Å; L340-M411 HydrophobicContact CD1-SD 3.52Å; L340-M411 VanDerWaalsContact CD1-SD 3.52Å |
| 341 | L | 97.9 | Very high | 95.3 | Very high | 84 Ų | 84 | 74.4 Ų | 74.4 | 44% | 0.44 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 176.1 | -72.6 | 169.4 | 0 | 0 | 0 | 111.7 | K337 N338 M339 K344 Q345 L408 | K337-L341 HydrophobicContact CG-CD1 4.27Å; K337-L341 WeakPolarHBondContact O-CG 3.41Å; K337-L341 PolarHBondContact O-N 3.48Å; N338-L341 PolarHBondContact O-N 2.65Å; M339-L341 PolarHBondContact O-N 3.03Å; L341-K344 PolarHBondContact O-N 3.07Å; L341-Q345 PolarHBondContact O-N 2.86Å; L341-L408 HydrophobicContact CD2-CD1 3.74Å; L341-L408 HydrophobicContact CD2-CD2 4.17Å; L341-L408 HydrophobicContact CG-CD1 4.35Å; L341-L408 HydrophobicContact CG-CD2 4.02Å |
| 342 | A | 98.4 | Very high | 95.9 | Very high | 53 Ų | 53 | 71.4 Ų | 71.4 | 44% | 0.438 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N338 M339 K344 Q345 I346 | N338-A342 WeakPolarHBondContact O-CB 3.27Å; N338-A342 PolarHBondContact O-N 3.25Å; M339-A342 PolarHBondContact O-N 3.13Å; A342-K344 VanDerWaalsContact C-N 3.33Å; A342-K344 PolarHBondContact O-N 3.4Å; A342-Q345 PolarHBondContact O-N 3.27Å; A342-I346 WeakPolarHBondContact O-CG1 3.46Å; A342-I346 PolarHBondContact O-N 3.02Å |
| 343 | T | 98.5 | Very high | 96.3 | Very high | 63 Ų | 63 | 69.3 Ų | 69.3 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.9 | -44.8 | 175 | -52.8 | 0 | 0 | 0 | 0 | 111.2 | M339 Q345 I346 C347 L404 | M339-T343 PolarHBondContact O-N 2.84Å; M339-T343 PolarHBondContact O-OG1 2.73Å; T343-Q345 VanDerWaalsContact C-N 3.32Å; T343-Q345 PolarHBondContact O-N 3.36Å; T343-I346 PolarHBondContact O-N 2.95Å; T343-C347 PolarHBondContact O-N 3.04Å; T343-C347 PolarHBondContact O-SG 3.44Å; T343-L404 HydrophobicContact CG2-CD1 3.85Å; T343-L404 HydrophobicContact CG2-CD2 4.28Å |
| 344 | K | 98 | Very high | 96.7 | Very high | 65 Ų | 65 | 69.1 Ų | 69.1 | 28% | 0.283 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 179.4 | -178.7 | 173 | 172.6 | 173.6 | 0 | 112.2 | L340 L341 A342 K348 L404 T405 L408 | L340-K344 VanDerWaalsContact O-CB 3.31Å; L340-K344 WeakPolarHBondContact O-CB 3.28Å; L340-K344 PolarHBondContact O-N 3.08Å; L341-K344 PolarHBondContact O-N 3.07Å; A342-K344 VanDerWaalsContact C-N 3.33Å; A342-K344 PolarHBondContact O-N 3.4Å; K344-K348 PolarHBondContact O-N 2.95Å; K344-K348 VanDerWaalsContact O-N 3.07Å; K344-L404 HydrophobicContact CB-CB 4.29Å; K344-L404 HydrophobicContact CB-CD1 3.97Å; K344-T405 PolarHBondContact NZ-OG1 3.17Å; K344-L408 HydrophobicContact CD-CD1 4.36Å |
| 345 | Q | 98.4 | Very high | 96.9 | Very high | 94 Ų | 94 | 67.1 Ų | 67.1 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 176.8 | 179.7 | 56.5 | 28.2 | 0 | 0 | 111.7 | L341 A342 T343 C347 K348 E349 | L341-Q345 PolarHBondContact O-N 2.86Å; A342-Q345 PolarHBondContact O-N 3.27Å; T343-Q345 VanDerWaalsContact C-N 3.32Å; T343-Q345 PolarHBondContact O-N 3.36Å; Q345-C347 PolarHBondContact O-N 3.04Å; Q345-K348 WeakPolarHBondContact O-CB 3.31Å; Q345-K348 PolarHBondContact O-N 3.3Å; Q345-K348 VanDerWaalsContact O-N 3.11Å; Q345-E349 WeakPolarHBondContact CG-OE1 3.33Å; Q345-E349 PolarHBondContact NE2-OE1 3.08Å; Q345-E349 PolarHBondContact O-N 3.45Å |
| 346 | I | 98.5 | Very high | 97.1 | Very high | 111 Ų | 111 | 66.9 Ų | 66.9 | 57% | 0.569 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 175.9 | -65.7 | 165.1 | 0 | 0 | 0 | 111.3 | A342 T343 K348 E349 F350 | A342-I346 WeakPolarHBondContact O-CG1 3.46Å; A342-I346 PolarHBondContact O-N 3.02Å; T343-I346 PolarHBondContact O-N 2.95Å; I346-K348 VanDerWaalsContact C-N 3.27Å; I346-K348 PolarHBondContact O-N 3.4Å; I346-E349 PolarHBondContact O-N 2.98Å; I346-F350 WeakPolarHBondContact O-CB 3.31Å; I346-F350 PolarHBondContact O-N 3.31Å |
| 347 | C | 98.5 | Very high | 97.1 | Very high | 14 Ų | 14 | 65.6 Ų | 65.6 | 10% | 0.095 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.6 | -40.3 | 174.8 | -70.1 | 0 | 0 | 0 | 0 | 112.1 | T343 Q345 T351 V397 Q401 | T343-C347 PolarHBondContact O-N 3.04Å; T343-C347 PolarHBondContact O-SG 3.44Å; Q345-C347 PolarHBondContact O-N 3.04Å; C347-T351 PolarHBondContact O-N 2.9Å; C347-T351 VanDerWaalsContact O-N 3.1Å; C347-T351 PolarHBondContact O-OG1 3.42Å; C347-V397 HydrophobicContact CB-CG1 3.76Å; C347-Q401 HydrophobicContact CB-CG 3.65Å |
| 348 | K | 97.4 | Very high | 97.2 | Very high | 97 Ų | 97 | 66 Ų | 66 | 42% | 0.422 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -66.2 | -50.2 | 178.2 | -171.7 | -165.8 | 170.7 | -152.7 | 0 | 111.5 | K344 Q345 I346 F350 T351 D352 | K344-K348 PolarHBondContact O-N 2.95Å; K344-K348 VanDerWaalsContact O-N 3.07Å; Q345-K348 WeakPolarHBondContact O-CB 3.31Å; Q345-K348 PolarHBondContact O-N 3.3Å; Q345-K348 VanDerWaalsContact O-N 3.11Å; I346-K348 VanDerWaalsContact C-N 3.27Å; I346-K348 PolarHBondContact O-N 3.4Å; K348-F350 PolarHBondContact O-N 3.3Å; K348-T351 WeakPolarHBondContact CA-OG1 3.35Å; K348-T351 PolarHBondContact O-N 3.33Å; K348-T351 PolarHBondContact O-OG1 2.82Å; K348-D352 VanDerWaalsContact CE-OD2 3.23Å; K348-D352 WeakPolarHBondContact CE-OD2 3.31Å; K348-D352 IonicContact NZ-OD2 3.74Å; K348-D352 WeakPolarHBondContact O-CB 3.49Å; K348-D352 PolarHBondContact O-N 2.85Å |
| 349 | E | 98.1 | Very high | 97.1 | Very high | 107 Ų | 107 | 61.9 Ų | 61.9 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.3 | -41.7 | 177.9 | -73 | 167.2 | -163.4 | 0 | 0 | 111.8 | Q345 I346 D352 L353 | Q345-E349 WeakPolarHBondContact CG-OE1 3.33Å; Q345-E349 PolarHBondContact NE2-OE1 3.08Å; Q345-E349 PolarHBondContact O-N 3.45Å; I346-E349 PolarHBondContact O-N 2.98Å; E349-D352 PolarHBondContact O-N 3.5Å; E349-L353 PolarHBondContact O-N 2.94Å |
| 350 | F | 98.1 | Very high | 96.8 | Very high | 94 Ų | 94 | 59.6 Ų | 59.6 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 175 | -178.6 | -115.8 | 0 | 0 | 0 | 112.8 | I346 K348 L353 L354 V393 V397 | I346-F350 WeakPolarHBondContact O-CB 3.31Å; I346-F350 PolarHBondContact O-N 3.31Å; K348-F350 PolarHBondContact O-N 3.3Å; F350-L353 PolarHBondContact O-N 3.32Å; F350-L354 HydrophobicContact CD1-CD1 4.34Å; F350-L354 HydrophobicContact CE1-CD1 3.84Å; F350-L354 HydrophobicContact CE2-CD1 4.48Å; F350-L354 HydrophobicContact CZ-CD1 3.92Å; F350-L354 HydrophobicContact CZ-CG 4.47Å; F350-L354 WeakPolarHBondContact O-CG 3.27Å; F350-L354 PolarHBondContact O-N 3.23Å; F350-V393 HydrophobicContact CE1-CG1 3.67Å; F350-V393 HydrophobicContact CZ-CG1 4.09Å; F350-V397 HydrophobicContact CD1-CG2 4.15Å; F350-V397 HydrophobicContact CE1-CG2 4.19Å |
| 351 | T | 97.6 | Very high | 96.4 | Very high | 19 Ų | 19 | 61 Ų | 61 | 12% | 0.117 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -34.6 | 174.7 | 48 | 0 | 0 | 0 | 0 | 113.2 | C347 K348 L353 L354 A355 V397 | C347-T351 PolarHBondContact O-N 2.9Å; C347-T351 VanDerWaalsContact O-N 3.1Å; C347-T351 PolarHBondContact O-OG1 3.42Å; K348-T351 WeakPolarHBondContact CA-OG1 3.35Å; K348-T351 PolarHBondContact O-N 3.33Å; K348-T351 PolarHBondContact O-OG1 2.82Å; T351-L353 VanDerWaalsContact C-N 3.32Å; T351-L353 PolarHBondContact O-N 2.87Å; T351-L354 PolarHBondContact O-N 2.78Å; T351-A355 PolarHBondContact O-N 3.07Å; T351-V397 HydrophobicContact CG2-CB 3.91Å; T351-V397 HydrophobicContact CG2-CG1 3.63Å |
| 352 | D | 97.1 | Very high | 95.7 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 39% | 0.39 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.1 | -32.3 | 177.5 | -71.9 | -13 | 0 | 0 | 0 | 111 | K348 E349 Q356 | K348-D352 VanDerWaalsContact CE-OD2 3.23Å; K348-D352 WeakPolarHBondContact CE-OD2 3.31Å; K348-D352 IonicContact NZ-OD2 3.74Å; K348-D352 WeakPolarHBondContact O-CB 3.49Å; K348-D352 PolarHBondContact O-N 2.85Å; E349-D352 PolarHBondContact O-N 3.5Å; D352-Q356 WeakPolarHBondContact O-CG 3.37Å; D352-Q356 PolarHBondContact O-N 3.1Å; D352-Q356 PolarHBondContact O-NE2 3.49Å |
| 353 | L | 97.4 | Very high | 94.7 | Very high | 64 Ų | 64 | 59 Ų | 59 | 34% | 0.335 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65 | -48 | 168.7 | -178.6 | 74.6 | 0 | 0 | 0 | 111.6 | E349 F350 T351 A355 Q356 L370 | E349-L353 PolarHBondContact O-N 2.94Å; F350-L353 PolarHBondContact O-N 3.32Å; T351-L353 VanDerWaalsContact C-N 3.32Å; T351-L353 PolarHBondContact O-N 2.87Å; L353-A355 VanDerWaalsContact C-N 3.28Å; L353-A355 PolarHBondContact O-N 3.42Å; L353-Q356 WeakPolarHBondContact O-CB 3.41Å; L353-Q356 PolarHBondContact O-N 3.42Å; L353-L370 HydrophobicContact CD1-CD1 4.46Å; L353-L370 HydrophobicContact CD1-CD2 3.81Å |
| 354 | L | 96.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.6 | -31.3 | 179.6 | -66.7 | 178 | 0 | 0 | 0 | 112.5 | F350 T351 Q356 D357 L378 V393 | F350-L354 HydrophobicContact CD1-CD1 4.34Å; F350-L354 HydrophobicContact CE1-CD1 3.84Å; F350-L354 HydrophobicContact CE2-CD1 4.48Å; F350-L354 HydrophobicContact CZ-CD1 3.92Å; F350-L354 HydrophobicContact CZ-CG 4.47Å; F350-L354 WeakPolarHBondContact O-CG 3.27Å; F350-L354 PolarHBondContact O-N 3.23Å; T351-L354 PolarHBondContact O-N 2.78Å; L354-Q356 PolarHBondContact O-N 2.87Å; L354-D357 WeakPolarHBondContact O-CB 3.5Å; L354-D357 PolarHBondContact O-N 3.33Å; L354-L378 HydrophobicContact CD2-CD2 3.64Å; L354-V393 HydrophobicContact CD1-CB 4.3Å; L354-V393 HydrophobicContact CD1-CG1 3.73Å |
| 355 | A | 95.1 | Very high | 93.4 | Very high | 55 Ų | 55 | 62 Ų | 62 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69 | -19.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T351 L353 D357 R358 | T351-A355 PolarHBondContact O-N 3.07Å; L353-A355 VanDerWaalsContact C-N 3.28Å; L353-A355 PolarHBondContact O-N 3.42Å; A355-D357 VanDerWaalsContact C-N 3.35Å; A355-R358 PolarHBondContact O-NH1 2.89Å |
| 356 | Q | 95.5 | Very high | 93.1 | Very high | 82 Ų | 82 | 59.8 Ų | 59.8 | 38% | 0.383 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -5.6 | 175.3 | -71.9 | 169.8 | 76.4 | 0 | 0 | 113.5 | D352 L353 L354 R358 I369 L370 | D352-Q356 WeakPolarHBondContact O-CG 3.37Å; D352-Q356 PolarHBondContact O-N 3.1Å; D352-Q356 PolarHBondContact O-NE2 3.49Å; L353-Q356 WeakPolarHBondContact O-CB 3.41Å; L353-Q356 PolarHBondContact O-N 3.42Å; L354-Q356 PolarHBondContact O-N 2.87Å; Q356-R358 VanDerWaalsContact C-NH1 3.28Å; Q356-R358 WeakPolarHBondContact O-CG 3.43Å; Q356-R358 PolarHBondContact O-N 3.08Å; Q356-R358 PolarHBondContact O-NH1 3.36Å; Q356-I369 HydrophobicContact CB-CD1 4Å; Q356-I369 HydrophobicContact CB-CG1 4.42Å; Q356-I369 HydrophobicContact CG-CD1 4.23Å; Q356-I369 WeakPolarHBondContact O-CD1 3.27Å; Q356-I369 WeakPolarHBondContact O-CG1 3.4Å; Q356-L370 HydrophobicContact CB-CD1 4.23Å; Q356-L370 HydrophobicContact CB-CD2 3.77Å; Q356-L370 HydrophobicContact CB-CG 4.06Å |
| 357 | D | 95.3 | Very high | 92.8 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | trans | -57.5 | 129.7 | 177.6 | -171.5 | -7.2 | 0 | 0 | 0 | 112 | L354 A355 S359 Q375 L378 N382 | L354-D357 WeakPolarHBondContact O-CB 3.5Å; L354-D357 PolarHBondContact O-N 3.33Å; A355-D357 VanDerWaalsContact C-N 3.35Å; D357-S359 VanDerWaalsContact CG-OG 3.31Å; D357-S359 WeakPolarHBondContact OD1-CB 3.12Å; D357-S359 PolarHBondContact OD1-N 3.25Å; D357-S359 PolarHBondContact OD1-OG 2.75Å; D357-S359 PolarHBondContact OD2-OG 3.06Å; D357-Q375 PolarHBondContact OD1-NE2 2.99Å; D357-L378 HydrophobicContact CB-CD1 4.17Å; D357-N382 PolarHBondContact OD2-ND2 3.2Å | ||
| 358 | R | 95.2 | Very high | 92.6 | Very high | 81 Ų | 81 | 64.8 Ų | 64.8 | 31% | 0.306 | 34% | 0.343 | S | S | . | . | trans | -118.3 | 38.4 | 177.3 | -60.8 | -57.8 | 173.8 | -103.9 | 0.7 | 111.8 | A355 Q356 P366 N367 I369 | A355-R358 PolarHBondContact O-NH1 2.89Å; Q356-R358 VanDerWaalsContact C-NH1 3.28Å; Q356-R358 WeakPolarHBondContact O-CG 3.43Å; Q356-R358 PolarHBondContact O-N 3.08Å; Q356-R358 PolarHBondContact O-NH1 3.36Å; R358-P366 HydrophobicContact CB-CB 4.08Å; R358-P366 HydrophobicContact CB-CG 3.78Å; R358-P366 HydrophobicContact CG-CB 4.34Å; R358-P366 HydrophobicContact CG-CG 4.45Å; R358-P366 WeakPolarHBondContact O-CG 3.5Å; R358-N367 WeakPolarHBondContact CG-O 3.28Å; R358-I369 HydrophobicContact CG-CD1 4.34Å; R358-I369 HydrophobicContact CG-CG1 3.95Å; R358-I369 HydrophobicContact CG-CG2 4.49Å | ||
| 359 | S | 94.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 7% | 0.07 | 35% | 0.347 | C | S | . | . | trans | -57 | 128.5 | 173.3 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | D357 L361 T379 N382 | D357-S359 VanDerWaalsContact CG-OG 3.31Å; D357-S359 WeakPolarHBondContact OD1-CB 3.12Å; D357-S359 PolarHBondContact OD1-N 3.25Å; D357-S359 PolarHBondContact OD1-OG 2.75Å; D357-S359 PolarHBondContact OD2-OG 3.06Å; S359-L361 VanDerWaalsContact C-N 3.33Å; S359-L361 PolarHBondContact O-N 3.48Å; S359-T379 VanDerWaalsContact OG-CA 3.28Å; S359-T379 WeakPolarHBondContact OG-CA 3.4Å; S359-T379 PolarHBondContact OG-N 3.02Å; S359-N382 VanDerWaalsContact CB-ND2 3.27Å; S359-N382 WeakPolarHBondContact CB-ND2 3.47Å; S359-N382 PolarHBondContact OG-ND2 3.31Å | ||
| 360 | P | 90.6 | Very high | 92.5 | Very high | 44 Ų | 44 | 60.7 Ų | 60.7 | 29% | 0.286 | 33% | 0.328 | S | S | . | . | trans | -75.2 | 80 | 178.6 | 30.5 | -36 | 0 | 0 | 0 | 112.1 | S364 T379 | P360-S364 WeakPolarHBondContact CA-O 3.42Å; P360-T379 HydrophobicContact CG-CG2 4.38Å | ||
| 361 | L | 86.8 | Confident | 92.4 | Very high | 36 Ų | 36 | 63 Ų | 63 | 19% | 0.188 | 34% | 0.34 | C | S | . | . | trans | -99.4 | 147.6 | 175.1 | -74.6 | 171.2 | 0 | 0 | 0 | 112 | S359 N363 S364 N382 G387 | S359-L361 VanDerWaalsContact C-N 3.33Å; S359-L361 PolarHBondContact O-N 3.48Å; L361-N363 PolarHBondContact O-N 2.85Å; L361-S364 PolarHBondContact O-N 3.15Å; L361-S364 PolarHBondContact O-OG 3.04Å; L361-N382 HydrophobicContact CD1-CB 3.86Å; L361-N382 HydrophobicContact CD2-CB 4.45Å; L361-N382 HydrophobicContact CG-CB 4.28Å; L361-G387 VanDerWaalsContact CD1-CA 3.42Å | ||
| 362 | G | 84 | Confident | 92.4 | Very high | 18 Ų | 18 | 66.9 Ų | 66.9 | 19% | 0.186 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | -120.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A234 E296 R365 | A234-G362 WeakPolarHBondContact CB-O 3.33Å; E296-G362 WeakPolarHBondContact OE2-CA 3.33Å; E296-G362 PolarHBondContact OE2-N 3.24Å; G362-R365 PolarHBondContact O-NH1 3.15Å; G362-R365 PolarHBondContact O-NH2 3.27Å |
| 363 | N | 78 | Confident | 92.4 | Very high | 77 Ų | 77 | 65.8 Ų | 65.8 | 41% | 0.412 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -5.9 | -177.7 | -65.9 | -1.5 | 0 | 0 | 0 | 113.3 | N210 T232 L361 | N210-N363 WeakPolarHBondContact OD1-CB 3.29Å; N210-N363 PolarHBondContact OD1-ND2 3.24Å; N210-N363 VanDerWaalsContact OD1-ND2 3.16Å; T232-N363 PolarHBondContact OG1-OD1 2.74Å; L361-N363 PolarHBondContact O-N 2.85Å |
| 364 | S | 81.3 | Confident | 92.4 | Very high | 61 Ų | 61 | 66.6 Ų | 66.6 | 43% | 0.427 | 38% | 0.375 | S | S | . | . | trans | -82.1 | 134.7 | -179 | 74.7 | 0 | 0 | 0 | 0 | 111.2 | P360 L361 P366 | P360-S364 WeakPolarHBondContact CA-O 3.42Å; L361-S364 PolarHBondContact O-N 3.15Å; L361-S364 PolarHBondContact O-OG 3.04Å; S364-P366 VanDerWaalsContact C-CD 3.4Å | ||
| 365 | R | 86.7 | Confident | 92.4 | Very high | 130 Ų | 130 | 66.3 Ų | 66.3 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | trans | -130.4 | 61.5 | 173.4 | -61.9 | -64.2 | 178.9 | -87 | -2.1 | 109.7 | G362 | G362-R365 PolarHBondContact O-NH1 3.15Å; G362-R365 PolarHBondContact O-NH2 3.27Å | ||
| 366 | P | 92.2 | Very high | 92.5 | Very high | 48 Ų | 48 | 67.4 Ų | 67.4 | 31% | 0.312 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 152.1 | 179.4 | 29.8 | -35.1 | 0 | 0 | 0 | 111.4 | R358 S364 | R358-P366 HydrophobicContact CB-CB 4.08Å; R358-P366 HydrophobicContact CB-CG 3.78Å; R358-P366 HydrophobicContact CG-CB 4.34Å; R358-P366 HydrophobicContact CG-CG 4.45Å; R358-P366 WeakPolarHBondContact O-CG 3.5Å; S364-P366 VanDerWaalsContact C-CD 3.4Å |
| 367 | N | 93 | Very high | 92.6 | Very high | 140 Ų | 140 | 67.7 Ų | 67.7 | 75% | 0.749 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 132.4 | 170.8 | -68.8 | -20.5 | 0 | 0 | 0 | 109.9 | R358 I369 | R358-N367 WeakPolarHBondContact CG-O 3.28Å; N367-I369 PolarHBondContact O-N 3.09Å |
| 368 | P | 93.9 | Very high | 92.7 | Very high | 90 Ų | 90 | 67.8 Ų | 67.8 | 58% | 0.584 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 135.4 | 168.4 | -31.4 | 39.1 | 0 | 0 | 0 | 112.8 | Q375 | P368-Q375 HydrophobicContact CB-CG 4.12Å; P368-Q375 HydrophobicContact CG-CG 4.41Å |
| 369 | I | 96.4 | Very high | 92.8 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 50% | 0.497 | 38% | 0.381 | S | S | . | . | trans | -119.8 | -15.7 | 172.6 | 66 | 176.3 | 0 | 0 | 0 | 113.1 | Q356 R358 N367 | Q356-I369 HydrophobicContact CB-CD1 4Å; Q356-I369 HydrophobicContact CB-CG1 4.42Å; Q356-I369 HydrophobicContact CG-CD1 4.23Å; Q356-I369 WeakPolarHBondContact O-CD1 3.27Å; Q356-I369 WeakPolarHBondContact O-CG1 3.4Å; R358-I369 HydrophobicContact CG-CD1 4.34Å; R358-I369 HydrophobicContact CG-CG1 3.95Å; R358-I369 HydrophobicContact CG-CG2 4.49Å; N367-I369 PolarHBondContact O-N 3.09Å | ||
| 370 | L | 96.9 | Very high | 92.8 | Very high | 20 Ų | 20 | 69.3 Ų | 69.3 | 11% | 0.105 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -89.6 | 156.3 | 175.9 | -66.9 | 175.8 | 0 | 0 | 0 | 110.6 | L353 Q356 I374 Q375 L378 | L353-L370 HydrophobicContact CD1-CD1 4.46Å; L353-L370 HydrophobicContact CD1-CD2 3.81Å; Q356-L370 HydrophobicContact CB-CD1 4.23Å; Q356-L370 HydrophobicContact CB-CD2 3.77Å; Q356-L370 HydrophobicContact CB-CG 4.06Å; L370-I374 HydrophobicContact CD1-CG2 4.32Å; L370-Q375 HydrophobicContact CB-CB 4.19Å; L370-L378 HydrophobicContact CD1-CD1 3.63Å |
| 371 | E | 97 | Very high | 93.1 | Very high | 144 Ų | 144 | 71 Ų | 71 | 67% | 0.673 | 40% | 0.402 | S | S | * | . | trans | -46.8 | 134.7 | 172.3 | -82.1 | -61.2 | 146.8 | 0 | 0 | 111.9 | G373 I374 Q375 | E371-G373 PolarHBondContact O-N 3.26Å; E371-I374 HydrophobicContact CB-CG1 4.27Å; E371-I374 PolarHBondContact O-N 2.97Å; E371-Q375 PolarHBondContact O-N 3.41Å | ||
| 372 | P | 96.4 | Very high | 93.6 | Very high | 100 Ų | 100 | 69.5 Ų | 69.5 | 65% | 0.649 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -55.1 | -35.5 | -170.1 | -29.3 | 36.1 | 0 | 0 | 0 | 114.6 | S376 | P372-S376 WeakPolarHBondContact O-CB 3.44Å; P372-S376 PolarHBondContact O-N 3.16Å |
| 373 | G | 97.7 | Very high | 94.1 | Very high | 50 Ų | 50 | 69.7 Ų | 69.7 | 52% | 0.515 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E371 C377 | E371-G373 PolarHBondContact O-N 3.26Å; G373-C377 PolarHBondContact O-N 2.97Å; G373-C377 PolarHBondContact O-SG 3.38Å; G373-C377 VanDerWaalsContact O-SG 3.34Å |
| 374 | I | 97.4 | Very high | 94.9 | Very high | 80 Ų | 80 | 68.9 Ų | 68.9 | 41% | 0.41 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.9 | -47.6 | 178.8 | -57.4 | -59 | 0 | 0 | 0 | 110.4 | L370 E371 S376 C377 L378 | L370-I374 HydrophobicContact CD1-CG2 4.32Å; E371-I374 HydrophobicContact CB-CG1 4.27Å; E371-I374 PolarHBondContact O-N 2.97Å; I374-S376 VanDerWaalsContact C-N 3.28Å; I374-S376 PolarHBondContact O-N 3.45Å; I374-C377 PolarHBondContact O-N 3.48Å; I374-L378 HydrophobicContact CG2-CD1 3.95Å; I374-L378 HydrophobicContact CG2-CG 4.38Å; I374-L378 WeakPolarHBondContact O-CG 3.37Å; I374-L378 PolarHBondContact O-N 3.48Å |
| 375 | Q | 97.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.7 | -37 | 178.2 | -171.7 | 59.4 | 69.2 | 0 | 0 | 111.6 | D357 P368 L370 E371 T379 | D357-Q375 PolarHBondContact OD1-NE2 2.99Å; P368-Q375 HydrophobicContact CB-CG 4.12Å; P368-Q375 HydrophobicContact CG-CG 4.41Å; L370-Q375 HydrophobicContact CB-CB 4.19Å; E371-Q375 PolarHBondContact O-N 3.41Å; Q375-T379 PolarHBondContact NE2-OG1 3.24Å; Q375-T379 WeakPolarHBondContact O-CB 3.31Å; Q375-T379 PolarHBondContact O-N 3.18Å; Q375-T379 PolarHBondContact O-OG1 2.92Å |
| 376 | S | 96.9 | Very high | 96.1 | Very high | 78 Ų | 78 | 60 Ų | 60 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 175.8 | -176 | 0 | 0 | 0 | 0 | 112.1 | P372 I374 T379 H380 | P372-S376 WeakPolarHBondContact O-CB 3.44Å; P372-S376 PolarHBondContact O-N 3.16Å; I374-S376 VanDerWaalsContact C-N 3.28Å; I374-S376 PolarHBondContact O-N 3.45Å; S376-T379 PolarHBondContact O-N 3.12Å; S376-H380 PolarHBondContact O-N 2.74Å |
| 377 | C | 97.3 | Very high | 96.2 | Very high | 89 Ų | 89 | 58 Ų | 58 | 60% | 0.601 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.2 | -46.8 | 177.1 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | G373 I374 H380 F381 | G373-C377 PolarHBondContact O-N 2.97Å; G373-C377 PolarHBondContact O-SG 3.38Å; G373-C377 VanDerWaalsContact O-SG 3.34Å; I374-C377 PolarHBondContact O-N 3.48Å; C377-H380 PolarHBondContact O-N 3.48Å; C377-F381 PolarHBondContact O-N 3.08Å |
| 378 | L | 97.2 | Very high | 96.4 | Very high | 22 Ų | 22 | 53.4 Ų | 53.4 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 176.3 | -69.7 | 176.2 | 0 | 0 | 0 | 111.7 | L354 D357 L370 I374 H380 F381 N382 | L354-L378 HydrophobicContact CD2-CD2 3.64Å; D357-L378 HydrophobicContact CB-CD1 4.17Å; L370-L378 HydrophobicContact CD1-CD1 3.63Å; I374-L378 HydrophobicContact CG2-CD1 3.95Å; I374-L378 HydrophobicContact CG2-CG 4.38Å; I374-L378 WeakPolarHBondContact O-CG 3.37Å; I374-L378 PolarHBondContact O-N 3.48Å; L378-H380 PolarHBondContact O-N 3.27Å; L378-F381 PolarHBondContact O-N 3.3Å; L378-N382 WeakPolarHBondContact O-CB 3.5Å; L378-N382 PolarHBondContact O-N 3.23Å |
| 379 | T | 96.5 | Very high | 96.6 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 15% | 0.153 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.1 | -50.6 | 173.4 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | S359 P360 Q375 S376 F381 N382 L383 | S359-T379 VanDerWaalsContact OG-CA 3.28Å; S359-T379 WeakPolarHBondContact OG-CA 3.4Å; S359-T379 PolarHBondContact OG-N 3.02Å; P360-T379 HydrophobicContact CG-CG2 4.38Å; Q375-T379 PolarHBondContact NE2-OG1 3.24Å; Q375-T379 WeakPolarHBondContact O-CB 3.31Å; Q375-T379 PolarHBondContact O-N 3.18Å; Q375-T379 PolarHBondContact O-OG1 2.92Å; S376-T379 PolarHBondContact O-N 3.12Å; T379-F381 VanDerWaalsContact C-N 3.34Å; T379-F381 PolarHBondContact O-N 3.44Å; T379-N382 PolarHBondContact O-N 2.93Å; T379-L383 HydrophobicContact CG2-CD1 3.67Å; T379-L383 HydrophobicContact CG2-CG 3.99Å; T379-L383 WeakPolarHBondContact O-CB 3.41Å; T379-L383 WeakPolarHBondContact O-CG 3.23Å; T379-L383 PolarHBondContact O-N 3.36Å |
| 380 | H | 96.2 | Very high | 96.6 | Very high | 98 Ų | 98 | 45 Ų | 45 | 45% | 0.454 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.2 | -49.6 | 177.3 | -173.2 | 101.6 | 0 | 0 | 0 | 111.8 | S376 C377 L378 N382 L383 I384 | S376-H380 PolarHBondContact O-N 2.74Å; C377-H380 PolarHBondContact O-N 3.48Å; L378-H380 PolarHBondContact O-N 3.27Å; H380-N382 PolarHBondContact O-N 2.81Å; H380-L383 PolarHBondContact O-N 2.72Å; H380-I384 WeakPolarHBondContact O-CG1 3.47Å; H380-I384 PolarHBondContact O-N 2.92Å |
| 381 | F | 96.9 | Very high | 96.6 | Very high | 78 Ų | 78 | 47 Ų | 47 | 34% | 0.342 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 179.3 | 174.5 | -119.3 | 0 | 0 | 0 | 112.9 | C377 L378 T379 I384 S385 G389 V393 | C377-F381 PolarHBondContact O-N 3.08Å; L378-F381 PolarHBondContact O-N 3.3Å; T379-F381 VanDerWaalsContact C-N 3.34Å; T379-F381 PolarHBondContact O-N 3.44Å; F381-I384 VanDerWaalsContact O-CG1 3.27Å; F381-I384 WeakPolarHBondContact O-CG1 3.38Å; F381-S385 WeakPolarHBondContact O-CB 3.43Å; F381-S385 PolarHBondContact O-N 3.25Å; F381-S385 VanDerWaalsContact O-N 3.08Å; F381-S385 PolarHBondContact O-OG 2.76Å; F381-G389 VanDerWaalsContact CZ-CA 3.47Å; F381-V393 HydrophobicContact CE1-CG2 4.47Å; F381-V393 HydrophobicContact CZ-CG2 4.18Å |
| 382 | N | 95.8 | Very high | 96.6 | Very high | 6 Ų | 6 | 40.7 Ų | 40.7 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.2 | -39.5 | 176.8 | -89.2 | -23.7 | 0 | 0 | 0 | 113 | D357 S359 L361 L378 T379 H380 S385 H386 G387 S390 | D357-N382 PolarHBondContact OD2-ND2 3.2Å; S359-N382 VanDerWaalsContact CB-ND2 3.27Å; S359-N382 WeakPolarHBondContact CB-ND2 3.47Å; S359-N382 PolarHBondContact OG-ND2 3.31Å; L361-N382 HydrophobicContact CD1-CB 3.86Å; L361-N382 HydrophobicContact CD2-CB 4.45Å; L361-N382 HydrophobicContact CG-CB 4.28Å; L378-N382 WeakPolarHBondContact O-CB 3.5Å; L378-N382 PolarHBondContact O-N 3.23Å; T379-N382 PolarHBondContact O-N 2.93Å; H380-N382 PolarHBondContact O-N 2.81Å; N382-S385 PolarHBondContact O-N 2.83Å; N382-S385 PolarHBondContact O-OG 2.68Å; N382-H386 WeakPolarHBondContact O-CA 3.45Å; N382-H386 PolarHBondContact O-N 2.92Å; N382-G387 PolarHBondContact O-N 2.78Å; N382-G387 VanDerWaalsContact O-N 3.13Å; N382-S390 PolarHBondContact OD1-OG 3.19Å |
| 383 | L | 95.4 | Very high | 96.7 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 12% | 0.115 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 177 | -66.4 | 175.3 | 0 | 0 | 0 | 111 | R238 P243 T379 H380 H386 | R238-L383 VanDerWaalsContact CD-CD2 3.42Å; R238-L383 HydrophobicContact CG-CD2 3.71Å; R238-L383 PolarHBondContact NH1-O 3.49Å; R238-L383 VanDerWaalsContact NH1-O 3.09Å; P243-L383 HydrophobicContact CG-CB 3.88Å; P243-L383 HydrophobicContact CG-CD1 4.46Å; T379-L383 HydrophobicContact CG2-CD1 3.67Å; T379-L383 HydrophobicContact CG2-CG 3.99Å; T379-L383 WeakPolarHBondContact O-CB 3.41Å; T379-L383 WeakPolarHBondContact O-CG 3.23Å; T379-L383 PolarHBondContact O-N 3.36Å; H380-L383 PolarHBondContact O-N 2.72Å; L383-H386 PolarHBondContact O-CE1 2.68Å; L383-H386 PolarHBondContact O-ND1 3Å |
| 384 | I | 95.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 37 Ų | 37 | 31% | 0.308 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -73.9 | -24.8 | 178.6 | 67.1 | 172.8 | 0 | 0 | 0 | 114 | P243 H380 F381 H386 | P243-I384 HydrophobicContact CB-CG2 4.03Å; P243-I384 HydrophobicContact CG-CG2 3.53Å; H380-I384 WeakPolarHBondContact O-CG1 3.47Å; H380-I384 PolarHBondContact O-N 2.92Å; F381-I384 VanDerWaalsContact O-CG1 3.27Å; F381-I384 WeakPolarHBondContact O-CG1 3.38Å; I384-H386 PolarHBondContact O-CE1 2.74Å |
| 385 | S | 96.4 | Very high | 96.8 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -96.9 | -2.4 | 177.1 | 64.3 | 0 | 0 | 0 | 0 | 113.8 | F381 N382 G387 F388 G389 | F381-S385 WeakPolarHBondContact O-CB 3.43Å; F381-S385 PolarHBondContact O-N 3.25Å; F381-S385 VanDerWaalsContact O-N 3.08Å; F381-S385 PolarHBondContact O-OG 2.76Å; N382-S385 PolarHBondContact O-N 2.83Å; N382-S385 PolarHBondContact O-OG 2.68Å; S385-G387 PolarHBondContact O-N 2.8Å; S385-F388 WeakPolarHBondContact O-CB 3.49Å; S385-F388 PolarHBondContact O-N 2.79Å; S385-G389 WeakPolarHBondContact OG-CA 3.16Å; S385-G389 PolarHBondContact OG-N 3.23Å; S385-G389 VanDerWaalsContact OG-N 3.08Å |
| 386 | H | 95.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 33.4 | 178.6 | -44.7 | -27.7 | 0 | 0 | 0 | 113 | R238 R239 E244 L291 L294 E296 A299 N382 L383 I384 | R238-H386 PolarHBondContact NH2-ND1 3.35Å; R239-H386 PolarHBondContact NH2-CE1 2.87Å; R239-H386 PolarHBondContact NH2-NE2 2.93Å; E244-H386 VanDerWaalsContact CD-CE1 3.46Å; E244-H386 IonicContact OE1-CE1 3.27Å; E244-H386 PolarHBondContact OE1-CE1 2.93Å; E244-H386 IonicContact OE1-NE2 2.65Å; E244-H386 IonicContact OE2-CE1 3.48Å; E244-H386 PolarHBondContact OE2-CE1 3.4Å; E244-H386 IonicContact OE2-ND1 3.75Å; L291-H386 PolarHBondContact O-CD2 3.35Å; L291-H386 PolarHBondContact O-NE2 3.4Å; L294-H386 PolarHBondContact O-CD2 3.07Å; E296-H386 HydrophobicContact CG-CB 3.93Å; A299-H386 HydrophobicContact CB-CB 3.87Å; A299-H386 VanDerWaalsContact CB-O 3.32Å; A299-H386 WeakPolarHBondContact CB-O 3.3Å; N382-H386 WeakPolarHBondContact O-CA 3.45Å; N382-H386 PolarHBondContact O-N 2.92Å; L383-H386 PolarHBondContact O-CE1 2.68Å; L383-H386 PolarHBondContact O-ND1 3Å; I384-H386 PolarHBondContact O-CE1 2.74Å |
| 387 | G | 95 | Very high | 96.9 | Very high | 6 Ų | 6 | 33 Ų | 33 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 0.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | L361 N382 S385 P391 | L361-G387 VanDerWaalsContact CD1-CA 3.42Å; N382-G387 PolarHBondContact O-N 2.78Å; N382-G387 VanDerWaalsContact O-N 3.13Å; S385-G387 PolarHBondContact O-N 2.8Å; G387-P391 WeakPolarHBondContact O-CD 3.48Å; G387-P391 WeakPolarHBondContact O-CG 3.15Å |
| 388 | F | 97.5 | Very high | 96.9 | Very high | 44 Ų | 44 | 31.8 Ų | 31.8 | 19% | 0.193 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -71.8 | -38.5 | 171.6 | 172.5 | -97.8 | 0 | 0 | 0 | 112.7 | L291 A299 L302 A303 S385 A392 | L291-F388 HydrophobicContact CD2-CD1 4.09Å; L291-F388 HydrophobicContact CD2-CG 4.47Å; A299-F388 HydrophobicContact CB-CB 4.07Å; L302-F388 HydrophobicContact CB-CD2 4.26Å; L302-F388 HydrophobicContact CB-CE2 4.49Å; L302-F388 HydrophobicContact CD2-CD2 4.08Å; L302-F388 HydrophobicContact CD2-CE2 4.03Å; L302-F388 HydrophobicContact CG-CD2 4Å; L302-F388 HydrophobicContact CG-CE2 3.8Å; A303-F388 HydrophobicContact CB-CD2 3.71Å; A303-F388 HydrophobicContact CB-CE2 4.28Å; A303-F388 HydrophobicContact CB-CG 4.5Å; S385-F388 WeakPolarHBondContact O-CB 3.49Å; S385-F388 PolarHBondContact O-N 2.79Å; F388-A392 HydrophobicContact CD1-CB 4.13Å; F388-A392 HydrophobicContact CD2-CB 4.34Å; F388-A392 HydrophobicContact CE1-CB 3.64Å; F388-A392 HydrophobicContact CE2-CB 3.86Å; F388-A392 HydrophobicContact CG-CB 4.46Å; F388-A392 HydrophobicContact CZ-CB 3.48Å; F388-A392 VanDerWaalsContact CZ-CB 3.48Å; F388-A392 VanDerWaalsContact O-CB 3.25Å; F388-A392 WeakPolarHBondContact O-CB 3.33Å; F388-A392 PolarHBondContact O-N 3.45Å |
| 389 | G | 96.4 | Very high | 97 | Very high | 4 Ų | 4 | 31 Ų | 31 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.3 | -66.7 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | F381 S385 A392 V393 | F381-G389 VanDerWaalsContact CZ-CA 3.47Å; S385-G389 WeakPolarHBondContact OG-CA 3.16Å; S385-G389 PolarHBondContact OG-N 3.23Å; S385-G389 VanDerWaalsContact OG-N 3.08Å; G389-A392 PolarHBondContact O-N 3.43Å; G389-V393 WeakPolarHBondContact O-CG2 3.49Å; G389-V393 PolarHBondContact O-N 2.99Å |
| 390 | S | 96.2 | Very high | 97.1 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 5% | 0.049 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | -175.2 | -66 | 0 | 0 | 0 | 0 | 113 | N382 A392 V393 C394 | N382-S390 PolarHBondContact OD1-OG 3.19Å; S390-A392 PolarHBondContact O-N 3.42Å; S390-V393 PolarHBondContact O-N 3.06Å; S390-C394 PolarHBondContact O-N 2.97Å; S390-C394 PolarHBondContact O-SG 2.86Å |
| 391 | P | 96.9 | Very high | 97.2 | Very high | 63 Ų | 63 | 29.9 Ų | 29.9 | 41% | 0.409 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.3 | -39.7 | 174.1 | -25.6 | 36.4 | 0 | 0 | 0 | 114 | A303 G387 C394 A395 | A303-P391 HydrophobicContact CB-CB 4.03Å; G387-P391 WeakPolarHBondContact O-CD 3.48Å; G387-P391 WeakPolarHBondContact O-CG 3.15Å; P391-C394 PolarHBondContact O-N 3.4Å; P391-A395 WeakPolarHBondContact O-CB 3.21Å; P391-A395 PolarHBondContact O-N 3.38Å |
| 392 | A | 98.2 | Very high | 97.2 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 9% | 0.091 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F306 F388 G389 S390 A395 A396 | F306-A392 HydrophobicContact CD1-CB 4Å; F306-A392 HydrophobicContact CE1-CB 4.2Å; F388-A392 HydrophobicContact CD1-CB 4.13Å; F388-A392 HydrophobicContact CD2-CB 4.34Å; F388-A392 HydrophobicContact CE1-CB 3.64Å; F388-A392 HydrophobicContact CE2-CB 3.86Å; F388-A392 HydrophobicContact CG-CB 4.46Å; F388-A392 HydrophobicContact CZ-CB 3.48Å; F388-A392 VanDerWaalsContact CZ-CB 3.48Å; F388-A392 VanDerWaalsContact O-CB 3.25Å; F388-A392 WeakPolarHBondContact O-CB 3.33Å; F388-A392 PolarHBondContact O-N 3.45Å; G389-A392 PolarHBondContact O-N 3.43Å; S390-A392 PolarHBondContact O-N 3.42Å; A392-A395 PolarHBondContact O-N 2.78Å; A392-A396 PolarHBondContact O-N 3.24Å |
| 393 | V | 98.3 | Very high | 97.3 | Very high | 51 Ų | 51 | 30 Ų | 30 | 31% | 0.309 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.7 | -45.1 | 171.9 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | F350 L354 F381 G389 S390 A395 A396 V397 | F350-V393 HydrophobicContact CE1-CG1 3.67Å; F350-V393 HydrophobicContact CZ-CG1 4.09Å; L354-V393 HydrophobicContact CD1-CB 4.3Å; L354-V393 HydrophobicContact CD1-CG1 3.73Å; F381-V393 HydrophobicContact CE1-CG2 4.47Å; F381-V393 HydrophobicContact CZ-CG2 4.18Å; G389-V393 WeakPolarHBondContact O-CG2 3.49Å; G389-V393 PolarHBondContact O-N 2.99Å; S390-V393 PolarHBondContact O-N 3.06Å; V393-A395 VanDerWaalsContact C-N 3.34Å; V393-A395 PolarHBondContact O-N 3.27Å; V393-A396 PolarHBondContact O-N 3.4Å; V393-V397 HydrophobicContact CG1-CG2 4.4Å; V393-V397 WeakPolarHBondContact O-CG2 2.77Å; V393-V397 PolarHBondContact O-N 3.27Å |
| 394 | C | 98.1 | Very high | 97.5 | Very high | 22 Ų | 22 | 29.2 Ų | 29.2 | 15% | 0.149 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61 | -40.2 | 176.5 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | S390 P391 T398 | S390-C394 PolarHBondContact O-N 2.97Å; S390-C394 PolarHBondContact O-SG 2.86Å; P391-C394 PolarHBondContact O-N 3.4Å; C394-T398 VanDerWaalsContact O-CB 3.29Å; C394-T398 WeakPolarHBondContact O-CB 3.37Å; C394-T398 PolarHBondContact O-N 3.27Å; C394-T398 PolarHBondContact O-OG1 3.1Å |
| 395 | A | 98.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 28 Ų | 28 | 10% | 0.099 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -49.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F306 C310 P391 A392 V393 V397 T398 A399 | F306-A395 HydrophobicContact CD1-CB 4.03Å; F306-A395 HydrophobicContact CE1-CB 4.1Å; C310-A395 HydrophobicContact CB-CB 4.3Å; P391-A395 WeakPolarHBondContact O-CB 3.21Å; P391-A395 PolarHBondContact O-N 3.38Å; A392-A395 PolarHBondContact O-N 2.78Å; V393-A395 VanDerWaalsContact C-N 3.34Å; V393-A395 PolarHBondContact O-N 3.27Å; A395-V397 PolarHBondContact O-N 3.09Å; A395-T398 WeakPolarHBondContact O-CB 3.49Å; A395-T398 PolarHBondContact O-N 2.98Å; A395-T398 VanDerWaalsContact O-N 3.15Å; A395-A399 PolarHBondContact O-N 2.93Å |
| 396 | A | 98.5 | Very high | 97.7 | Very high | 48 Ų | 48 | 30.1 Ų | 30.1 | 40% | 0.397 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A392 V393 T398 A399 L400 | A392-A396 PolarHBondContact O-N 3.24Å; V393-A396 PolarHBondContact O-N 3.4Å; A396-T398 VanDerWaalsContact C-N 3.32Å; A396-A399 PolarHBondContact O-N 2.94Å; A396-L400 PolarHBondContact O-N 3.23Å; A396-L400 VanDerWaalsContact O-N 3.08Å |
| 397 | V | 98.4 | Very high | 97.7 | Very high | 21 Ų | 21 | 30.1 Ų | 30.1 | 13% | 0.127 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.2 | -29.7 | 176 | 179 | 0 | 0 | 0 | 0 | 111.6 | C347 F350 T351 V393 A395 L400 Q401 | C347-V397 HydrophobicContact CB-CG1 3.76Å; F350-V397 HydrophobicContact CD1-CG2 4.15Å; F350-V397 HydrophobicContact CE1-CG2 4.19Å; T351-V397 HydrophobicContact CG2-CB 3.91Å; T351-V397 HydrophobicContact CG2-CG1 3.63Å; V393-V397 HydrophobicContact CG1-CG2 4.4Å; V393-V397 WeakPolarHBondContact O-CG2 2.77Å; V393-V397 PolarHBondContact O-N 3.27Å; A395-V397 PolarHBondContact O-N 3.09Å; V397-L400 PolarHBondContact O-N 3.22Å; V397-Q401 WeakPolarHBondContact O-CG 3.47Å; V397-Q401 PolarHBondContact O-N 3.08Å |
| 398 | T | 97.8 | Very high | 97.7 | Very high | 65 Ų | 65 | 30.6 Ų | 30.6 | 40% | 0.399 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -68.9 | -42.5 | 173 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | C394 A395 A396 L400 Q401 N402 | C394-T398 VanDerWaalsContact O-CB 3.29Å; C394-T398 WeakPolarHBondContact O-CB 3.37Å; C394-T398 PolarHBondContact O-N 3.27Å; C394-T398 PolarHBondContact O-OG1 3.1Å; A395-T398 WeakPolarHBondContact O-CB 3.49Å; A395-T398 PolarHBondContact O-N 2.98Å; A395-T398 VanDerWaalsContact O-N 3.15Å; A396-T398 VanDerWaalsContact C-N 3.32Å; T398-L400 VanDerWaalsContact C-N 3.29Å; T398-L400 PolarHBondContact O-N 3.25Å; T398-Q401 PolarHBondContact O-N 3.21Å; T398-Q401 VanDerWaalsContact O-N 3.15Å; T398-N402 PolarHBondContact O-N 3.41Å |
| 399 | A | 98.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -40.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | C310 F314 A395 A396 N402 Y403 | C310-A399 HydrophobicContact CB-CB 4.28Å; F314-A399 HydrophobicContact CB-CB 4.38Å; F314-A399 HydrophobicContact CD1-CB 3.78Å; F314-A399 HydrophobicContact CE1-CB 4.19Å; F314-A399 HydrophobicContact CG-CB 3.97Å; A395-A399 PolarHBondContact O-N 2.93Å; A396-A399 PolarHBondContact O-N 2.94Å; A399-N402 PolarHBondContact O-N 2.9Å; A399-Y403 PolarHBondContact O-N 3.07Å |
| 400 | L | 98.5 | Very high | 97.3 | Very high | 72 Ų | 72 | 34.9 Ų | 34.9 | 38% | 0.377 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.3 | -44.9 | 171.8 | -179.1 | 66.2 | 0 | 0 | 0 | 112.2 | A396 V397 T398 N402 Y403 L404 | A396-L400 PolarHBondContact O-N 3.23Å; A396-L400 VanDerWaalsContact O-N 3.08Å; V397-L400 PolarHBondContact O-N 3.22Å; T398-L400 VanDerWaalsContact C-N 3.29Å; T398-L400 PolarHBondContact O-N 3.25Å; L400-N402 VanDerWaalsContact C-N 3.29Å; L400-N402 PolarHBondContact O-N 3.26Å; L400-Y403 HydrophobicContact CD1-CD1 3.91Å; L400-Y403 HydrophobicContact CD1-CE1 4.44Å; L400-Y403 WeakPolarHBondContact O-CB 3.23Å; L400-Y403 PolarHBondContact O-N 3.05Å; L400-L404 HydrophobicContact CG-CD1 4.28Å; L400-L404 WeakPolarHBondContact O-CG 3.36Å; L400-L404 PolarHBondContact O-N 2.92Å |
| 401 | Q | 98.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -33.5 | 175.9 | -76 | -176.6 | 78.1 | 0 | 0 | 112.8 | C347 V397 T398 L404 T405 | C347-Q401 HydrophobicContact CB-CG 3.65Å; V397-Q401 WeakPolarHBondContact O-CG 3.47Å; V397-Q401 PolarHBondContact O-N 3.08Å; T398-Q401 PolarHBondContact O-N 3.21Å; T398-Q401 VanDerWaalsContact O-N 3.15Å; Q401-L404 PolarHBondContact O-N 3.39Å; Q401-T405 WeakPolarHBondContact O-CB 3.3Å; Q401-T405 PolarHBondContact O-N 2.95Å; Q401-T405 PolarHBondContact O-OG1 2.68Å |
| 402 | N | 98.1 | Very high | 96.4 | Very high | 62 Ų | 62 | 35 Ų | 35 | 33% | 0.332 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.5 | -47.5 | 172.4 | -72 | -16.3 | 0 | 0 | 0 | 110.7 | A316 T398 A399 L400 L404 T405 E406 | A316-N402 HydrophobicContact CB-CB 4.09Å; T398-N402 PolarHBondContact O-N 3.41Å; A399-N402 PolarHBondContact O-N 2.9Å; L400-N402 VanDerWaalsContact C-N 3.29Å; L400-N402 PolarHBondContact O-N 3.26Å; N402-L404 PolarHBondContact O-N 3.32Å; N402-T405 WeakPolarHBondContact O-CB 3.44Å; N402-T405 PolarHBondContact O-N 2.94Å; N402-T405 VanDerWaalsContact O-N 3.14Å; N402-E406 PolarHBondContact O-N 2.91Å |
| 403 | Y | 98.3 | Very high | 95.8 | Very high | 25 Ų | 25 | 42.1 Ų | 42.1 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.4 | -48.9 | 172 | 152.5 | -97.3 | 0 | 0 | 0 | 112.2 | V319 A320 L323 A399 L400 T405 E406 A407 | V319-Y403 HydrophobicContact CB-CD2 4.18Å; V319-Y403 HydrophobicContact CG1-CD2 3.79Å; V319-Y403 HydrophobicContact CG1-CE2 3.89Å; A320-Y403 HydrophobicContact CB-CD2 3.95Å; A320-Y403 HydrophobicContact CB-CE2 4.15Å; L323-Y403 HydrophobicContact CD1-CE2 3.88Å; L323-Y403 WeakPolarHBondContact CD1-OH 3.43Å; A399-Y403 PolarHBondContact O-N 3.07Å; L400-Y403 HydrophobicContact CD1-CD1 3.91Å; L400-Y403 HydrophobicContact CD1-CE1 4.44Å; L400-Y403 WeakPolarHBondContact O-CB 3.23Å; L400-Y403 PolarHBondContact O-N 3.05Å; Y403-T405 PolarHBondContact O-N 3.25Å; Y403-E406 PolarHBondContact O-N 3.37Å; Y403-A407 HydrophobicContact CE2-CB 4.4Å; Y403-A407 WeakPolarHBondContact O-CB 3.31Å; Y403-A407 PolarHBondContact O-N 3.43Å |
| 404 | L | 98.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.5 | -34.2 | 178.8 | -67.9 | 169.1 | 0 | 0 | 0 | 111.7 | L340 T343 K344 L400 Q401 N402 L408 | L340-L404 HydrophobicContact CD2-CD2 3.6Å; T343-L404 HydrophobicContact CG2-CD1 3.85Å; T343-L404 HydrophobicContact CG2-CD2 4.28Å; K344-L404 HydrophobicContact CB-CB 4.29Å; K344-L404 HydrophobicContact CB-CD1 3.97Å; L400-L404 HydrophobicContact CG-CD1 4.28Å; L400-L404 WeakPolarHBondContact O-CG 3.36Å; L400-L404 PolarHBondContact O-N 2.92Å; Q401-L404 PolarHBondContact O-N 3.39Å; N402-L404 PolarHBondContact O-N 3.32Å; L404-L408 WeakPolarHBondContact O-CD1 3.28Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.5Å; L404-L408 PolarHBondContact O-N 3.21Å; L404-L408 VanDerWaalsContact O-N 3.09Å |
| 405 | T | 98 | Very high | 93.4 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.5 | -42.8 | 176.6 | -57.7 | 0 | 0 | 0 | 0 | 112.1 | K344 Q401 N402 Y403 L408 K409 | K344-T405 PolarHBondContact NZ-OG1 3.17Å; Q401-T405 WeakPolarHBondContact O-CB 3.3Å; Q401-T405 PolarHBondContact O-N 2.95Å; Q401-T405 PolarHBondContact O-OG1 2.68Å; N402-T405 WeakPolarHBondContact O-CB 3.44Å; N402-T405 PolarHBondContact O-N 2.94Å; N402-T405 VanDerWaalsContact O-N 3.14Å; Y403-T405 PolarHBondContact O-N 3.25Å; T405-L408 PolarHBondContact O-N 3.22Å; T405-K409 WeakPolarHBondContact O-CG 3.27Å; T405-K409 PolarHBondContact O-N 2.96Å; T405-K409 VanDerWaalsContact O-N 3.15Å |
| 406 | E | 97.6 | Very high | 92.2 | Very high | 46 Ų | 46 | 54 Ų | 54 | 22% | 0.215 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.9 | -35.5 | 173.9 | -63.6 | -52 | 124.7 | 0 | 0 | 112.1 | K317 A320 N402 Y403 L408 K409 A410 | K317-E406 HydrophobicContact CB-CB 4.41Å; K317-E406 HydrophobicContact CB-CG 4.02Å; A320-E406 HydrophobicContact CB-CB 3.69Å; N402-E406 PolarHBondContact O-N 2.91Å; Y403-E406 PolarHBondContact O-N 3.37Å; E406-L408 PolarHBondContact O-N 2.84Å; E406-K409 PolarHBondContact O-N 3.45Å; E406-K409 IonicContact OE1-NZ 2.63Å; E406-K409 PolarHBondContact OE1-NZ 3.27Å; E406-K409 IonicContact OE2-NZ 3.87Å; E406-A410 WeakPolarHBondContact O-CB 3.4Å; E406-A410 PolarHBondContact O-N 3.49Å |
| 407 | A | 96.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A320 N324 L340 Y403 A410 M411 | A320-A407 HydrophobicContact CB-CB 4Å; N324-A407 PolarHBondContact ND2-O 3.07Å; L340-A407 HydrophobicContact CD1-CB 3.9Å; L340-A407 HydrophobicContact CD2-CB 4.25Å; Y403-A407 HydrophobicContact CE2-CB 4.4Å; Y403-A407 WeakPolarHBondContact O-CB 3.31Å; Y403-A407 PolarHBondContact O-N 3.43Å; A407-A410 PolarHBondContact O-N 2.92Å; A407-M411 WeakPolarHBondContact O-CG 3.5Å; A407-M411 PolarHBondContact O-N 3.02Å |
| 408 | L | 95.8 | Very high | 88.9 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 174.2 | -71.9 | 165.1 | 0 | 0 | 0 | 112 | K337 L340 L341 K344 L404 T405 E406 A410 M411 D412 | K337-L408 HydrophobicContact CG-CD2 3.89Å; L340-L408 HydrophobicContact CB-CD2 3.81Å; L340-L408 HydrophobicContact CB-CG 4.12Å; L340-L408 HydrophobicContact CD1-CD2 4.13Å; L340-L408 HydrophobicContact CD1-CG 4.33Å; L341-L408 HydrophobicContact CD2-CD1 3.74Å; L341-L408 HydrophobicContact CD2-CD2 4.17Å; L341-L408 HydrophobicContact CG-CD1 4.35Å; L341-L408 HydrophobicContact CG-CD2 4.02Å; K344-L408 HydrophobicContact CD-CD1 4.36Å; L404-L408 WeakPolarHBondContact O-CD1 3.28Å; L404-L408 VanDerWaalsContact O-CG 3.29Å; L404-L408 WeakPolarHBondContact O-CG 3.5Å; L404-L408 PolarHBondContact O-N 3.21Å; L404-L408 VanDerWaalsContact O-N 3.09Å; T405-L408 PolarHBondContact O-N 3.22Å; E406-L408 PolarHBondContact O-N 2.84Å; L408-A410 VanDerWaalsContact C-N 3.32Å; L408-A410 PolarHBondContact O-N 3.02Å; L408-M411 PolarHBondContact O-N 3.27Å; L408-D412 PolarHBondContact O-N 3.04Å |
| 409 | K | 95 | Very high | 86.7 | Confident | 116 Ų | 116 | 61.3 Ų | 61.3 | 50% | 0.504 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58 | -42.5 | 175.9 | -70.2 | 170.6 | -178.3 | 173.3 | 0 | 112.5 | T405 E406 D412 K413 | T405-K409 WeakPolarHBondContact O-CG 3.27Å; T405-K409 PolarHBondContact O-N 2.96Å; T405-K409 VanDerWaalsContact O-N 3.15Å; E406-K409 PolarHBondContact O-N 3.45Å; E406-K409 IonicContact OE1-NZ 2.63Å; E406-K409 PolarHBondContact OE1-NZ 3.27Å; E406-K409 IonicContact OE2-NZ 3.87Å; K409-D412 PolarHBondContact O-N 3.21Å; K409-K413 PolarHBondContact O-N 2.98Å; K409-K413 VanDerWaalsContact O-N 3.1Å |
| 410 | A | 90.7 | Very high | 84.5 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.7 | -35.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N324 E406 A407 L408 K413 M414 | N324-A410 WeakPolarHBondContact ND2-CB 3.43Å; E406-A410 WeakPolarHBondContact O-CB 3.4Å; E406-A410 PolarHBondContact O-N 3.49Å; A407-A410 PolarHBondContact O-N 2.92Å; L408-A410 VanDerWaalsContact C-N 3.32Å; L408-A410 PolarHBondContact O-N 3.02Å; A410-K413 PolarHBondContact O-N 3.39Å; A410-M414 WeakPolarHBondContact O-CG 3.28Å; A410-M414 PolarHBondContact O-N 3.13Å; A410-M414 VanDerWaalsContact O-N 3.12Å |
| 411 | M | 87.5 | Confident | 82.1 | Confident | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.03 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 171.7 | -72.2 | -172.4 | 72.5 | 0 | 0 | 112.4 | Q333 R336 K337 L340 A407 L408 K413 M414 Y415 | Q333-M411 HydrophobicContact CB-CE 4.12Å; Q333-M411 HydrophobicContact CG-CE 4.41Å; Q333-M411 WeakPolarHBondContact O-CE 3.18Å; R336-M411 HydrophobicContact CB-CE 3.96Å; R336-M411 HydrophobicContact CG-CE 3.96Å; R336-M411 HydrophobicContact CG-SD 3.96Å; K337-M411 HydrophobicContact CB-CE 3.98Å; K337-M411 HydrophobicContact CB-SD 4.33Å; L340-M411 HydrophobicContact CD1-SD 3.52Å; L340-M411 VanDerWaalsContact CD1-SD 3.52Å; A407-M411 WeakPolarHBondContact O-CG 3.5Å; A407-M411 PolarHBondContact O-N 3.02Å; L408-M411 PolarHBondContact O-N 3.27Å; M411-K413 VanDerWaalsContact C-N 3.27Å; M411-K413 PolarHBondContact O-N 2.95Å; M411-M414 HydrophobicContact CG-CE 4.13Å; M411-M414 PolarHBondContact O-N 3.02Å; M411-M414 VanDerWaalsContact O-N 3.09Å; M411-Y415 PolarHBondContact O-N 3.3Å |
| 412 | D | 86.6 | Confident | 79.6 | Confident | 65 Ų | 65 | 72.6 Ų | 72.6 | 35% | 0.348 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | 177.5 | -68.9 | -26.5 | 0 | 0 | 0 | 111.1 | K337 L408 K409 M414 Y415 L416 | K337-D412 IonicContact NZ-OD1 3.42Å; K337-D412 PolarHBondContact NZ-OD1 2.96Å; K337-D412 IonicContact NZ-OD2 3.03Å; L408-D412 PolarHBondContact O-N 3.04Å; K409-D412 PolarHBondContact O-N 3.21Å; D412-M414 PolarHBondContact O-N 3.46Å; D412-Y415 PolarHBondContact O-N 3.25Å; D412-L416 WeakPolarHBondContact O-CD1 3.44Å; D412-L416 PolarHBondContact O-N 3.4Å; D412-L416 VanDerWaalsContact O-N 3.1Å |
| 413 | K | 84.4 | Confident | 77.2 | Confident | 162 Ų | 162 | 78.3 Ų | 78.3 | 70% | 0.704 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.1 | -40.2 | 173.8 | -171.1 | -179.1 | 177.8 | -174 | 0 | 113 | K409 A410 M411 Y415 L416 S417 | K409-K413 PolarHBondContact O-N 2.98Å; K409-K413 VanDerWaalsContact O-N 3.1Å; A410-K413 PolarHBondContact O-N 3.39Å; M411-K413 VanDerWaalsContact C-N 3.27Å; M411-K413 PolarHBondContact O-N 2.95Å; K413-Y415 VanDerWaalsContact C-N 3.34Å; K413-L416 PolarHBondContact O-N 3.38Å; K413-S417 WeakPolarHBondContact O-CB 3.43Å; K413-S417 PolarHBondContact O-N 3.4Å |
| 414 | M | 76.3 | Confident | 74.9 | Confident | 50 Ų | 50 | 82.5 Ų | 82.5 | 25% | 0.246 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65 | -38.9 | 175.8 | -69.1 | -171.3 | -60.7 | 0 | 0 | 111.6 | N324 A410 M411 D412 S417 N418 | N324-M414 HydrophobicContact CB-CE 4.03Å; A410-M414 WeakPolarHBondContact O-CG 3.28Å; A410-M414 PolarHBondContact O-N 3.13Å; A410-M414 VanDerWaalsContact O-N 3.12Å; M411-M414 HydrophobicContact CG-CE 4.13Å; M411-M414 PolarHBondContact O-N 3.02Å; M411-M414 VanDerWaalsContact O-N 3.09Å; D412-M414 PolarHBondContact O-N 3.46Å; M414-S417 PolarHBondContact O-N 3.12Å; M414-N418 WeakPolarHBondContact O-CB 3.49Å; M414-N418 PolarHBondContact O-N 3.16Å |
| 415 | Y | 70.7 | Confident | 72.3 | Confident | 160 Ų | 160 | 89.3 Ų | 89.3 | 63% | 0.627 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.6 | -43.7 | 177.2 | -168.2 | -94.8 | 0 | 0 | 0 | 112.4 | M411 D412 K413 S417 | M411-Y415 PolarHBondContact O-N 3.3Å; D412-Y415 PolarHBondContact O-N 3.25Å; K413-Y415 VanDerWaalsContact C-N 3.34Å; Y415-S417 VanDerWaalsContact C-N 3.35Å |
| 416 | L | 72 | Confident | 69.7 | Low | 123 Ų | 123 | 95.9 Ų | 95.9 | 64% | 0.644 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.6 | -38.3 | 173.5 | -84.9 | 81.7 | 0 | 0 | 0 | 112.2 | D412 K413 | D412-L416 WeakPolarHBondContact O-CD1 3.44Å; D412-L416 PolarHBondContact O-N 3.4Å; D412-L416 VanDerWaalsContact O-N 3.1Å; K413-L416 PolarHBondContact O-N 3.38Å |
| 417 | S | 66.2 | Low | 66.9 | Low | 96 Ų | 96 | 101.7 Ų | 101.7 | 67% | 0.671 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.5 | -24.9 | -178.6 | -166.9 | 0 | 0 | 0 | 0 | 114.2 | K413 M414 Y415 N419 | K413-S417 WeakPolarHBondContact O-CB 3.43Å; K413-S417 PolarHBondContact O-N 3.4Å; M414-S417 PolarHBondContact O-N 3.12Å; Y415-S417 VanDerWaalsContact C-N 3.35Å; S417-N419 VanDerWaalsContact C-N 3.35Å |
| 418 | N | 61.3 | Low | 64.3 | Low | 104 Ų | 104 | 106.2 Ų | 106.2 | 56% | 0.556 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -0.5 | 178.7 | -82 | 9.8 | 0 | 0 | 0 | 113.4 | M414 P420 | M414-N418 WeakPolarHBondContact O-CB 3.49Å; M414-N418 PolarHBondContact O-N 3.16Å; N418-P420 VanDerWaalsContact O-CD 3.31Å; N418-P420 WeakPolarHBondContact O-CD 3.44Å |
| 419 | N | 52.5 | Low | 61.9 | Low | 88 Ų | 88 | 115.5 Ų | 115.5 | 47% | 0.471 | 62% | 0.616 | S | S | . | * | trans | -95 | 105.1 | 176.9 | -168.9 | 1.5 | 0 | 0 | 0 | 110.5 | S417 N421 S422 | S417-N419 VanDerWaalsContact C-N 3.35Å; N419-N421 PolarHBondContact O-N 3.35Å; N419-S422 PolarHBondContact O-OG 3.01Å | ||
| 420 | P | 52.3 | Low | 59.2 | Low | 118 Ų | 118 | 116 Ų | 116 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -67.5 | -10.1 | -173.1 | 27.8 | -35.6 | 0 | 0 | 0 | 114.2 | N418 S422 | N418-P420 VanDerWaalsContact O-CD 3.31Å; N418-P420 WeakPolarHBondContact O-CD 3.44Å; P420-S422 VanDerWaalsContact C-N 3.29Å; P420-S422 PolarHBondContact O-N 3.15Å |
| 421 | N | 48.4 | Very low | 56.8 | Low | 142 Ų | 142 | 120 Ų | 120 | 76% | 0.759 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -82.2 | 12.9 | -177.1 | -103.4 | 33.6 | 0 | 0 | 0 | 115.4 | N419 | N419-N421 PolarHBondContact O-N 3.35Š|
| 422 | S | 45.7 | Very low | 54.8 | Low | 82 Ų | 82 | 126.8 Ų | 126.8 | 57% | 0.573 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -104.6 | 1.9 | -178.1 | 61.6 | 0 | 0 | 0 | 0 | 115.5 | N419 P420 | N419-S422 PolarHBondContact O-OG 3.01Å; P420-S422 VanDerWaalsContact C-N 3.29Å; P420-S422 PolarHBondContact O-N 3.15Å |
| 423 | H | 47.2 | Very low | 52.7 | Low | 182 Ų | 182 | 132.7 Ų | 132.7 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | trans | -122.1 | 60.1 | 176.9 | -91 | -52.4 | 0 | 0 | 0 | 113.2 | ||||
| 424 | T | 49.2 | Very low | 50.6 | Low | 114 Ų | 114 | 132.1 Ų | 132.1 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | -128.4 | 148.9 | 154 | 43.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 425 | D | 44.9 | Very low | 49.2 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 68.3 | 81.3 | -179.7 | -54.8 | -27.4 | 0 | 0 | 0 | 117.2 | ||
| 426 | N | 43.8 | Very low | 48 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -168.1 | 16.6 | 137.7 | -103.4 | -29.9 | 0 | 0 | 0 | 117 | ||
| 427 | N | 38.2 | Very low | 46.7 | Very low | 168 Ų | 168 | 143 Ų | 143 | 90% | 0.898 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -128.4 | 32.1 | -178.5 | -152.3 | 19.7 | 0 | 0 | 0 | 115.6 | ||
| 428 | A | 41.6 | Very low | 45.8 | Very low | 96 Ų | 96 | 150 Ų | 150 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -127.6 | 52.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 429 | K | 45 | Very low | 45.1 | Very low | 211 Ų | 211 | 158.4 Ų | 158.4 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -170.7 | 65.7 | 165.7 | -110.9 | 163.3 | -171.3 | 175 | 0 | 113.6 | ||
| 430 | S | 38.1 | Very low | 44.8 | Very low | 128 Ų | 128 | 162 Ų | 162 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | -158.3 | 47.3 | 160.1 | -169.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 431 | S | 41.4 | Very low | 44.4 | Very low | 104 Ų | 104 | 164.3 Ų | 164.3 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -113.4 | 147.6 | 156.2 | -169 | 0 | 0 | 0 | 0 | 107.3 | ||
| 432 | D | 44.8 | Very low | 44.1 | Very low | 150 Ų | 150 | 165.5 Ų | 165.5 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | trans | 61.8 | 89.3 | -177.2 | -57.1 | -30.2 | 0 | 0 | 0 | 116.1 | ||||
| 433 | K | 42.6 | Very low | 44 | Very low | 189 Ų | 189 | 170.4 Ų | 170.4 | 82% | 0.822 | 85% | 0.853 | S | S | * | * | -155.6 | 122.8 | 122.6 | -111.6 | 174.1 | -173.6 | -171.9 | 0 | 114.5 | |||||
| 434 | E | 40.1 | Very low | 43.8 | Very low | 150 Ų | 150 | 169.7 Ų | 169.7 | 70% | 0.701 | 85% | 0.854 | S | S | * | * | trans | 64.1 | 82.7 | 148 | -69.2 | 174 | 99.9 | 0 | 0 | 118.8 | K436 | E434-K436 VanDerWaalsContact C-N 3.26Å; E434-K436 PolarHBondContact O-N 2.94Å | ||
| 435 | E | 46.7 | Very low | 43.5 | Very low | 197 Ų | 197 | 173.4 Ų | 173.4 | 92% | 0.921 | 86% | 0.864 | S | S | * | * | -35.4 | 90.4 | 125.1 | -176.4 | -172 | 170.9 | 0 | 0 | 112.6 | |||||
| 436 | K | 46.3 | Very low | 43.4 | Very low | 172 Ų | 172 | 175.2 Ų | 175.2 | 75% | 0.748 | 87% | 0.869 | S | S | * | * | trans | -167.8 | 100.7 | 154.9 | -118.8 | 172.3 | -178.5 | 171.7 | 0 | 111.1 | E434 | E434-K436 VanDerWaalsContact C-N 3.26Å; E434-K436 PolarHBondContact O-N 2.94Å | ||
| 437 | H | 43.8 | Very low | 43.4 | Very low | 193 Ų | 193 | 175.5 Ų | 175.5 | 89% | 0.894 | 87% | 0.866 | S | S | * | * | -165.7 | 118.8 | 121 | -115.4 | -128.1 | 0 | 0 | 0 | 111 | |||||
| 438 | R | 48.8 | Very low | 43.8 | Very low | 243 Ų | 243 | 176.1 Ų | 176.1 | 92% | 0.917 | 86% | 0.863 | S | S | * | * | trans | -103.6 | 118 | 174.7 | 175.4 | -172 | -174.4 | -175.1 | 4.3 | 107.8 | ||||
| 439 | K | 46.3 | Very low | 44 | Very low | 280 Ų | 280 | 183.4 Ų | 183.4 | 100% | 1.217 | 87% | 0.869 | S | S | * | * | trans | -162.2 | 0 | 148.5 | -118 | 177.2 | -179.1 | -177.7 | 0 | 110.9 |
Retrieved 439 of 439 residues in 55.3 ms
(Link to these results)