| 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 | 35.8 | Very low | 35.6 | Very low | 234 Ų | 234 | 146.4 Ų | 146.4 | 100% | 1.153 | 81% | 0.812 | S | S | * | * | 0 | 68.7 | 0 | -58.5 | 172.9 | -179.5 | 0 | 0 | 109.6 | |||||
| 2 | D | 34.5 | Very low | 35.1 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | cis | -155.5 | 146 | -8.9 | -114.3 | -85.9 | 0 | 0 | 0 | 108.4 | ||||
| 3 | S | 34.6 | Very low | 34.8 | Very low | 80 Ų | 80 | 142.8 Ų | 142.8 | 56% | 0.559 | 82% | 0.816 | S | S | * | * | 45.9 | 132.8 | 107.2 | -58.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 4 | R | 42.9 | Very low | 34.7 | Very low | 223 Ų | 223 | 149.9 Ų | 149.9 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | cis | -172.7 | 167.7 | 7.5 | -96.9 | 160 | -164.1 | 178.5 | 2.6 | 106 | ||||
| 5 | V | 44.7 | Very low | 35.2 | Very low | 119 Ų | 119 | 148.3 Ų | 148.3 | 72% | 0.721 | 82% | 0.822 | S | S | * | * | cis | -166.7 | 112.1 | -16 | 129.5 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 6 | S | 34.3 | Very low | 34.9 | Very low | 83 Ų | 83 | 144 Ų | 144 | 58% | 0.58 | 82% | 0.822 | S | S | * | * | 53.4 | 110.4 | 92.2 | 70.1 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 7 | E | 36.3 | Very low | 34.5 | Very low | 187 Ų | 187 | 140.8 Ų | 140.8 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | 71.1 | 130.2 | 139.3 | -61.7 | 173.8 | 178.6 | 0 | 0 | 121.9 | ||||
| 8 | L | 33.7 | Very low | 34.1 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -158.4 | 67.8 | 147.9 | -117.5 | 171.9 | 0 | 0 | 0 | 111.4 | ||||
| 9 | F | 33.3 | Very low | 34.8 | Very low | 221 Ų | 221 | 136.8 Ų | 136.8 | 97% | 0.969 | 83% | 0.826 | S | S | * | * | trans | -128 | 121.4 | 165.1 | -102.9 | -79.1 | 0 | 0 | 0 | 108.6 | ||||
| 10 | G | 31.4 | Very low | 34.7 | Very low | 80 Ų | 80 | 135 Ų | 135 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | 171.5 | 130.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 11 | G | 30.2 | Very low | 34.6 | Very low | 77 Ų | 77 | 135.7 Ų | 135.7 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | trans | -154.4 | 157.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 12 | C | 29.7 | Very low | 34.2 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -167.6 | 179.9 | 165.4 | -141.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 13 | C | 30.7 | Very low | 33.9 | Very low | 118 Ų | 118 | 126.3 Ų | 126.3 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | 80.6 | 102.6 | 161.7 | -59.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 14 | R | 33.9 | Very low | 33.7 | Very low | 242 Ų | 242 | 128.9 Ų | 128.9 | 91% | 0.913 | 84% | 0.836 | S | S | * | * | trans | -87.2 | -174.7 | 135.1 | -74.9 | -176.6 | 166.6 | -161 | -2.4 | 108.3 | ||||
| 15 | P | 42.2 | Very low | 33.1 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | cis | -141.8 | 175.4 | 5.3 | 43.6 | -25.4 | 0 | 0 | 0 | 118.2 | ||||
| 16 | G | 29.6 | Very low | 32.3 | Very low | 80 Ų | 80 | 130.1 Ų | 130.1 | 83% | 0.825 | 85% | 0.846 | S | S | * | * | trans | 102.7 | 142.8 | 131 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 17 | G | 28.9 | Very low | 32.1 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 92% | 0.918 | 86% | 0.856 | S | S | * | * | trans | 101.6 | 135.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 18 | G | 27.4 | Very low | 31.7 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 86% | 0.861 | S | S | * | * | trans | -140.1 | -160.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 19 | P | 47.8 | Very low | 31.4 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 86% | 0.857 | 85% | 0.854 | S | S | * | * | cis | -127.5 | -177.4 | -7 | 42.4 | -27.5 | 0 | 0 | 0 | 113.5 | ||||
| 20 | A | 32 | Very low | 31.1 | Very low | 101 Ų | 101 | 124 Ų | 124 | 84% | 0.835 | 85% | 0.851 | S | S | * | * | trans | -156.4 | 163.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 21 | V | 32.8 | Very low | 30.8 | Very low | 150 Ų | 150 | 123.5 Ų | 123.5 | 91% | 0.909 | 85% | 0.846 | S | S | * | * | trans | -146.7 | 144.1 | -167.9 | -153.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 22 | G | 27.3 | Very low | 30.7 | Very low | 82 Ų | 82 | 125 Ų | 125 | 85% | 0.845 | 84% | 0.844 | S | S | * | * | trans | 94.1 | 148 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 23 | G | 28.6 | Very low | 30.6 | Very low | 85 Ų | 85 | 124.3 Ų | 124.3 | 88% | 0.876 | 84% | 0.841 | S | S | * | * | trans | 151.6 | 80.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 24 | T | 29.5 | Very low | 30.4 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 82% | 0.816 | 84% | 0.842 | S | S | * | * | trans | -100 | 149.4 | 168.3 | 42.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 25 | L | 31 | Very low | 30.1 | Very low | 172 Ų | 172 | 116.5 Ų | 116.5 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | trans | 179.9 | 168.5 | 130.8 | -98.8 | 165.4 | 0 | 0 | 0 | 115.7 | ||||
| 26 | K | 27.9 | Very low | 29.3 | Very low | 197 Ų | 197 | 117.2 Ų | 117.2 | 86% | 0.857 | 84% | 0.844 | S | S | * | * | trans | -88.6 | 149.3 | -171.3 | -65.2 | 163.1 | 169.9 | 167.2 | 0 | 115 | ||||
| 27 | A | 30.3 | Very low | 29.2 | Very low | 97 Ų | 97 | 117.2 Ų | 117.2 | 80% | 0.802 | 84% | 0.844 | S | S | * | * | -175.1 | 138.9 | 125.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 28 | R | 27.5 | Very low | 29.1 | Very low | 256 Ų | 256 | 116.5 Ų | 116.5 | 97% | 0.966 | 84% | 0.836 | S | S | * | * | cis | 81.8 | 110.5 | 25.6 | -112.5 | -166.9 | -172.8 | -159.4 | 1.4 | 116.4 | ||||
| 29 | G | 26.7 | Very low | 29.9 | Very low | 77 Ų | 77 | 119.5 Ų | 119.5 | 79% | 0.794 | 84% | 0.842 | S | S | * | * | trans | 113.2 | 152.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 30 | A | 27.7 | Very low | 29.3 | Very low | 108 Ų | 108 | 123 Ų | 123 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | cis | 174.9 | 147.5 | -42.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 31 | G | 26.1 | Very low | 29.3 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 84% | 0.843 | S | S | * | * | trans | 103.8 | 141.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 32 | S | 27.1 | Very low | 29.2 | Very low | 108 Ų | 108 | 124 Ų | 124 | 76% | 0.755 | 84% | 0.84 | S | S | * | * | cis | 143.9 | 158.5 | -13.9 | 55.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 33 | S | 27.4 | Very low | 29.5 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | 65.9 | 162.5 | -179.1 | 83.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 34 | S | 27.1 | Very low | 29.8 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 84% | 0.837 | S | S | * | * | cis | -170.9 | 139.1 | -44 | 53.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 35 | G | 27.1 | Very low | 30 | Very low | 80 Ų | 80 | 136.2 Ų | 136.2 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | trans | 178.9 | 109.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 36 | C | 26 | Very low | 30 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 95% | 0.946 | 84% | 0.839 | S | S | * | * | trans | -105.9 | 138.3 | 177.5 | -57.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 37 | G | 26.7 | Very low | 30.7 | Very low | 80 Ų | 80 | 134.6 Ų | 134.6 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | 172.7 | 116.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 38 | G | 27.9 | Very low | 30.9 | Very low | 74 Ų | 74 | 137.7 Ų | 137.7 | 76% | 0.763 | 85% | 0.847 | S | S | * | * | trans | -85.6 | -173.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 39 | P | 42.7 | Very low | 31.8 | Very low | 136 Ų | 136 | 137 Ų | 137 | 88% | 0.883 | 84% | 0.844 | S | S | * | * | cis | -140.6 | -168.7 | 47.3 | 38.8 | -19 | 0 | 0 | 0 | 115.7 | ||||
| 40 | K | 35.5 | Very low | 32.1 | Very low | 207 Ų | 207 | 137.1 Ų | 137.1 | 90% | 0.9 | 85% | 0.845 | S | S | * | * | trans | -83.9 | 135.1 | -168 | -61.2 | 172.6 | 179.1 | 174.9 | 0 | 114.7 | ||||
| 41 | G | 31.6 | Very low | 32.6 | Very low | 79 Ų | 79 | 135.5 Ų | 135.5 | 81% | 0.814 | 84% | 0.84 | S | S | * | * | trans | -83.7 | 164.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 42 | K | 32.8 | Very low | 33.7 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 84% | 0.839 | 85% | 0.847 | S | S | * | * | trans | -128.5 | 152.6 | -172.2 | -90 | 177.2 | 177 | 168.6 | 0 | 113.3 | ||||
| 43 | K | 33.4 | Very low | 34.6 | Very low | 189 Ų | 189 | 140.1 Ų | 140.1 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | trans | 72.5 | 159.4 | 161.8 | -69.1 | 167.5 | 179.5 | 177.7 | 0 | 114.6 | ||||
| 44 | K | 33.5 | Very low | 35.9 | Very low | 194 Ų | 194 | 141.7 Ų | 141.7 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | cis | -148 | 166.2 | 13.3 | -142.2 | 165.4 | -177.2 | -174 | 0 | 111.9 | ||||
| 45 | N | 34.4 | Very low | 37.4 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 92% | 0.92 | 83% | 0.834 | S | S | * | * | trans | -66.2 | 150.8 | 178.7 | -78.4 | -13.6 | 0 | 0 | 0 | 114.1 | ||||
| 46 | G | 31.6 | Very low | 38.9 | Very low | 81 Ų | 81 | 143.7 Ų | 143.7 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -157 | 93.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 47 | R | 42.9 | Very low | 40.6 | Very low | 254 Ų | 254 | 143.4 Ų | 143.4 | 96% | 0.958 | 83% | 0.825 | S | S | * | * | trans | -78 | 134.9 | 167.5 | -76.3 | 178.4 | 173.8 | 161.7 | -3.1 | 108.5 | ||||
| 48 | N | 34.4 | Very low | 42.2 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | trans | -143.8 | 152.3 | 148.9 | -153.9 | 1.5 | 0 | 0 | 0 | 111.3 | ||||
| 49 | R | 45 | Very low | 43.4 | Very low | 242 Ų | 242 | 150.1 Ų | 150.1 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 118.3 | 177.1 | -70.4 | 173.3 | 170.1 | 165.9 | -6.2 | 108.5 | ||
| 50 | G | 33 | Very low | 44.4 | Very low | 79 Ų | 79 | 147.9 Ų | 147.9 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 133.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 51 | G | 37.9 | Very low | 45.4 | Very low | 75 Ų | 75 | 142.8 Ų | 142.8 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 167.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A53 | G51-A53 PolarHBondContact O-N 2.92Å; G51-A53 VanDerWaalsContact O-N 3.14Å |
| 52 | K | 49.5 | Very low | 46.2 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | trans | -64.9 | 109.7 | 169.3 | -69.7 | -177.4 | 177.4 | -177.4 | 0 | 109.7 | ||||
| 53 | A | 46.8 | Very low | 47 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | trans | -86.2 | 103.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | G51 N55 | G51-A53 PolarHBondContact O-N 2.92Å; G51-A53 VanDerWaalsContact O-N 3.14Å; A53-N55 PolarHBondContact O-N 2.71Å | ||
| 54 | N | 54.6 | Low | 47.8 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | -76.9 | 53.1 | 171.5 | -73.5 | 3.3 | 0 | 0 | 0 | 110.4 | ||||
| 55 | N | 57.8 | Low | 48.2 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -71.8 | 135.6 | 171.6 | -66.6 | 7.9 | 0 | 0 | 0 | 107.9 | A53 | A53-N55 PolarHBondContact O-N 2.71Š| ||
| 56 | P | 60 | Low | 48.8 | Very low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | trans | -59.7 | 143.4 | 168.9 | 27.1 | -33.6 | 0 | 0 | 0 | 109.2 | Y58 | P56-Y58 PolarHBondContact O-N 3.16Š| ||
| 57 | P | 61.7 | Low | 49.2 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 87% | 0.87 | 76% | 0.757 | S | S | * | * | trans | -65.2 | 105 | -179.6 | 26.5 | -33.6 | 0 | 0 | 0 | 109.9 | ||||
| 58 | Y | 59.6 | Low | 49.1 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 74% | 0.737 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 123.6 | 179.9 | -175.4 | -109.9 | 0 | 0 | 0 | 110.2 | P56 | P56-Y58 PolarHBondContact O-N 3.16Š|
| 59 | L | 53.9 | Low | 49.6 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 56% | 0.56 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 149.5 | 167 | -69.2 | 171.3 | 0 | 0 | 0 | 109.2 | Y70 | L59-Y70 HydrophobicContact CB-CE2 4.28Å; L59-Y70 HydrophobicContact CD1-CE1 3.92Å |
| 60 | P | 61.7 | Low | 49.8 | Very low | 88 Ų | 88 | 121.7 Ų | 121.7 | 57% | 0.571 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -61 | 156.2 | 178.2 | 27.5 | -35.5 | 0 | 0 | 0 | 111.6 | Y70 | P60-Y70 WeakPolarHBondContact O-CE2 3.44Š|
| 61 | P | 57.6 | Low | 50.7 | Low | 101 Ų | 101 | 121.5 Ų | 121.5 | 66% | 0.656 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 154.5 | 171.7 | -24.2 | 33.7 | 0 | 0 | 0 | 112.9 | ||
| 62 | E | 48.6 | Very low | 51.5 | Low | 102 Ų | 102 | 126.8 Ų | 126.8 | 48% | 0.477 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 143.8 | 177.8 | -61.1 | 179.5 | -121.2 | 0 | 0 | 111.4 | E69 Y70 | E62-E69 WeakPolarHBondContact OE2-CA 3.47Å; E62-E69 WeakPolarHBondContact OE2-CG 3.38Å; E62-Y70 HydrophobicContact CG-CD2 3.43Å; E62-Y70 VanDerWaalsContact CG-CD2 3.43Å; E62-Y70 HydrophobicContact CG-CE2 4.1Å; E62-Y70 HydrophobicContact CG-CG 4.15Å; E62-Y70 WeakPolarHBondContact OE1-CB 3.32Å; E62-Y70 PolarHBondContact OE1-N 3.12Å; E62-Y70 PolarHBondContact OE2-N 3.47Å |
| 63 | A | 49.4 | Very low | 52.3 | Low | 72 Ų | 72 | 128 Ų | 128 | 60% | 0.595 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 137.7 | 168 | 0 | 0 | 0 | 0 | 0 | 108.4 | D65 | A63-D65 PolarHBondContact O-N 3.11Š|
| 64 | E | 49.8 | Very low | 53.5 | Low | 208 Ų | 208 | 126.6 Ų | 126.6 | 97% | 0.972 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -64.5 | -26.9 | -176.4 | -61.9 | -178.1 | 140.2 | 0 | 0 | 112.8 | ||
| 65 | D | 42.7 | Very low | 54.7 | Low | 161 Ų | 161 | 123.9 Ų | 123.9 | 86% | 0.861 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -102.5 | 107.7 | 168.4 | -81.8 | -52 | 0 | 0 | 0 | 110.7 | A63 | A63-D65 PolarHBondContact O-N 3.11Š|
| 66 | G | 45.4 | Very low | 55.8 | Low | 66 Ų | 66 | 122.8 Ų | 122.8 | 68% | 0.68 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -179.7 | 168 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 67 | N | 40.5 | Very low | 56.8 | Low | 171 Ų | 171 | 120.9 Ų | 120.9 | 91% | 0.914 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -103.4 | 24.1 | 176.3 | -148.1 | 113.2 | 0 | 0 | 0 | 112 | ||
| 68 | I | 40.5 | Very low | 58 | Low | 121 Ų | 121 | 115.6 Ų | 115.6 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | trans | -138.7 | 127.6 | -175.9 | -57.8 | 176.4 | 0 | 0 | 0 | 107.2 | Y70 | I68-Y70 HydrophobicContact CG2-CD1 4.37Å; I68-Y70 HydrophobicContact CG2-CE1 3.74Å | ||
| 69 | E | 46.3 | Very low | 59.3 | Low | 122 Ų | 122 | 109.9 Ų | 109.9 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | trans | -142.1 | 128.5 | -176.8 | -173.1 | -167.3 | -175.4 | 0 | 0 | 108.4 | E62 K71 | E62-E69 WeakPolarHBondContact OE2-CA 3.47Å; E62-E69 WeakPolarHBondContact OE2-CG 3.38Å; E69-K71 HydrophobicContact CG-CG 4.11Å; E69-K71 PolarHBondContact O-N 3Å; E69-K71 WeakPolarHBondContact OE1-CE 3.49Å; E69-K71 IonicContact OE1-NZ 3.16Å; E69-K71 PolarHBondContact OE1-NZ 2.95Å; E69-K71 IonicContact OE2-NZ 2.68Å; E69-K71 PolarHBondContact OE2-NZ 2.94Å | ||
| 70 | Y | 48.8 | Very low | 60.8 | Low | 99 Ų | 99 | 108.7 Ų | 108.7 | 39% | 0.388 | 55% | 0.554 | S | S | . | * | trans | -97.3 | 45.8 | -172.3 | -57.1 | -52.5 | 0 | 0 | 0 | 112.9 | L59 P60 E62 I68 Y72 | L59-Y70 HydrophobicContact CB-CE2 4.28Å; L59-Y70 HydrophobicContact CD1-CE1 3.92Å; P60-Y70 WeakPolarHBondContact O-CE2 3.44Å; E62-Y70 HydrophobicContact CG-CD2 3.43Å; E62-Y70 VanDerWaalsContact CG-CD2 3.43Å; E62-Y70 HydrophobicContact CG-CE2 4.1Å; E62-Y70 HydrophobicContact CG-CG 4.15Å; E62-Y70 WeakPolarHBondContact OE1-CB 3.32Å; E62-Y70 PolarHBondContact OE1-N 3.12Å; E62-Y70 PolarHBondContact OE2-N 3.47Å; I68-Y70 HydrophobicContact CG2-CD1 4.37Å; I68-Y70 HydrophobicContact CG2-CE1 3.74Å; Y70-Y72 PolarHBondContact O-N 3.13Å; Y70-Y72 VanDerWaalsContact O-N 3.13Å | ||
| 71 | K | 52.1 | Low | 62 | Low | 76 Ų | 76 | 104.6 Ų | 104.6 | 33% | 0.33 | 53% | 0.527 | S | S | . | . | trans | -44.1 | 119.7 | 177.4 | -77.8 | -171.4 | 159.5 | 77.6 | 0 | 112.1 | E69 | E69-K71 HydrophobicContact CG-CG 4.11Å; E69-K71 PolarHBondContact O-N 3Å; E69-K71 WeakPolarHBondContact OE1-CE 3.49Å; E69-K71 IonicContact OE1-NZ 3.16Å; E69-K71 PolarHBondContact OE1-NZ 2.95Å; E69-K71 IonicContact OE2-NZ 2.68Å; E69-K71 PolarHBondContact OE2-NZ 2.94Å | ||
| 72 | Y | 54.5 | Low | 63.4 | Low | 186 Ų | 186 | 105.4 Ų | 105.4 | 73% | 0.729 | 52% | 0.52 | S | S | * | . | trans | -63.6 | 144.6 | 174.3 | -138 | -101.6 | 0 | 0 | 0 | 109.1 | Y70 F74 E75 H76 | Y70-Y72 PolarHBondContact O-N 3.13Å; Y70-Y72 VanDerWaalsContact O-N 3.13Å; Y72-F74 PolarHBondContact O-N 3.18Å; Y72-E75 WeakPolarHBondContact CB-OE2 3.34Å; Y72-E75 PolarHBondContact N-OE2 3.16Å; Y72-E75 WeakPolarHBondContact O-CB 3.41Å; Y72-E75 PolarHBondContact O-N 3.34Å; Y72-H76 PolarHBondContact O-N 2.75Å | ||
| 73 | R | 65.5 | Low | 65.2 | Low | 224 Ų | 224 | 107 Ų | 107 | 85% | 0.845 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -48 | -38.6 | -169.5 | -82.3 | -174.3 | 168.7 | -169.5 | -4.6 | 114.4 | L77 | R73-L77 WeakPolarHBondContact O-CG 3.11Å; R73-L77 PolarHBondContact O-N 3.14Å |
| 74 | F | 73.1 | Confident | 66.9 | Low | 47 Ų | 47 | 109.6 Ų | 109.6 | 21% | 0.206 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -66.6 | -35.8 | 178.5 | -173.8 | -94 | 0 | 0 | 0 | 113.5 | Y72 L77 V78 T118 R121 M122 K125 | Y72-F74 PolarHBondContact O-N 3.18Å; F74-L77 PolarHBondContact O-N 3.33Å; F74-V78 HydrophobicContact CD1-CG2 3.98Å; F74-V78 HydrophobicContact CE1-CG2 3.65Å; F74-V78 HydrophobicContact CZ-CG2 4.2Å; F74-V78 WeakPolarHBondContact O-CG2 3.34Å; F74-V78 PolarHBondContact O-N 3.36Å; F74-T118 HydrophobicContact CD2-CG2 4.43Å; F74-T118 HydrophobicContact CE2-CG2 4.22Å; F74-R121 HydrophobicContact CE2-CB 4.21Å; F74-R121 HydrophobicContact CZ-CB 3.88Å; F74-M122 HydrophobicContact CD2-CG 4.25Å; F74-M122 HydrophobicContact CE1-CG 4.31Å; F74-M122 HydrophobicContact CE2-CG 3.51Å; F74-M122 HydrophobicContact CE2-SD 4.37Å; F74-M122 HydrophobicContact CZ-CB 4.48Å; F74-M122 HydrophobicContact CZ-CG 3.55Å; F74-K125 HydrophobicContact CE1-CD 3.96Å |
| 75 | E | 78.7 | Confident | 68.6 | Low | 90 Ų | 90 | 100 Ų | 100 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -77.3 | -31.5 | -176 | -61.7 | 171.4 | 145.9 | 0 | 0 | 111.7 | Y72 V78 T79 | Y72-E75 WeakPolarHBondContact CB-OE2 3.34Å; Y72-E75 PolarHBondContact N-OE2 3.16Å; Y72-E75 WeakPolarHBondContact O-CB 3.41Å; Y72-E75 PolarHBondContact O-N 3.34Å; E75-V78 PolarHBondContact O-N 2.97Å; E75-T79 WeakPolarHBondContact O-CB 3.49Å; E75-T79 PolarHBondContact O-N 3.22Å; E75-T79 PolarHBondContact O-OG1 2.91Å |
| 76 | H | 80.9 | Confident | 70.6 | Confident | 107 Ų | 107 | 98.5 Ų | 98.5 | 50% | 0.495 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.9 | -48 | 167.2 | -172.4 | 88.9 | 0 | 0 | 0 | 111.2 | Y72 V78 T79 Q80 | Y72-H76 PolarHBondContact O-N 2.75Å; H76-V78 PolarHBondContact O-N 3.33Å; H76-T79 WeakPolarHBondContact O-CB 3.48Å; H76-T79 PolarHBondContact O-N 2.71Å; H76-Q80 WeakPolarHBondContact O-CB 3.31Å; H76-Q80 PolarHBondContact O-N 3.43Å |
| 77 | L | 82.3 | Confident | 72.4 | Confident | 69 Ų | 69 | 101.6 Ų | 101.6 | 36% | 0.361 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 177.9 | -63.4 | 168.8 | 0 | 0 | 0 | 112.5 | R73 F74 T79 Q80 M81 M122 | R73-L77 WeakPolarHBondContact O-CG 3.11Å; R73-L77 PolarHBondContact O-N 3.14Å; F74-L77 PolarHBondContact O-N 3.33Å; L77-T79 VanDerWaalsContact C-N 3.35Å; L77-T79 PolarHBondContact O-N 3.08Å; L77-Q80 PolarHBondContact O-N 3.46Å; L77-M81 WeakPolarHBondContact O-CB 3.29Å; L77-M81 PolarHBondContact O-N 3.27Å; L77-M122 HydrophobicContact CB-SD 3.37Å; L77-M122 WeakPolarHBondContact CB-SD 3.31Å; L77-M122 HydrophobicContact CD1-SD 4.16Å; L77-M122 HydrophobicContact CG-SD 4.38Å |
| 78 | V | 86.4 | Confident | 74.1 | Confident | 22 Ų | 22 | 95 Ų | 95 | 13% | 0.133 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 172.7 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | F74 E75 H76 M81 K82 M122 K125 V126 | F74-V78 HydrophobicContact CD1-CG2 3.98Å; F74-V78 HydrophobicContact CE1-CG2 3.65Å; F74-V78 HydrophobicContact CZ-CG2 4.2Å; F74-V78 WeakPolarHBondContact O-CG2 3.34Å; F74-V78 PolarHBondContact O-N 3.36Å; E75-V78 PolarHBondContact O-N 2.97Å; H76-V78 PolarHBondContact O-N 3.33Å; V78-M81 PolarHBondContact O-N 3.32Å; V78-K82 WeakPolarHBondContact O-CB 3.22Å; V78-K82 PolarHBondContact O-N 2.91Å; V78-M122 HydrophobicContact CG2-CB 3.96Å; V78-M122 HydrophobicContact CG2-CG 3.73Å; V78-M122 HydrophobicContact CG2-SD 4.45Å; V78-K125 HydrophobicContact CG1-CB 4.21Å; V78-K125 HydrophobicContact CG2-CB 4.4Å; V78-K125 HydrophobicContact CG2-CD 4.36Å; V78-V126 HydrophobicContact CG1-CG2 3.98Å |
| 79 | T | 86 | Confident | 76 | Confident | 68 Ų | 68 | 100.2 Ų | 100.2 | 42% | 0.417 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 176.6 | -54 | 0 | 0 | 0 | 0 | 111.2 | E75 H76 L77 K82 W83 | E75-T79 WeakPolarHBondContact O-CB 3.49Å; E75-T79 PolarHBondContact O-N 3.22Å; E75-T79 PolarHBondContact O-OG1 2.91Å; H76-T79 WeakPolarHBondContact O-CB 3.48Å; H76-T79 PolarHBondContact O-N 2.71Å; L77-T79 VanDerWaalsContact C-N 3.35Å; L77-T79 PolarHBondContact O-N 3.08Å; T79-K82 PolarHBondContact O-N 3.39Å; T79-W83 PolarHBondContact O-N 2.97Å |
| 80 | Q | 86.8 | Confident | 77.6 | Confident | 83 Ų | 83 | 95 Ų | 95 | 39% | 0.388 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 176.4 | -169 | -174.6 | 26.7 | 0 | 0 | 111.8 | H76 L77 W83 R84 | H76-Q80 WeakPolarHBondContact O-CB 3.31Å; H76-Q80 PolarHBondContact O-N 3.43Å; L77-Q80 PolarHBondContact O-N 3.46Å; Q80-W83 PolarHBondContact O-N 3.14Å; Q80-R84 WeakPolarHBondContact O-CG 3.5Å; Q80-R84 PolarHBondContact O-N 3.32Å |
| 81 | M | 85.5 | Confident | 79.4 | Confident | 1 Ų | 1 | 94.6 Ų | 94.6 | 1% | 0.005 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 173.8 | 176 | -178.2 | -76.9 | 0 | 0 | 111.7 | L77 V78 W83 R84 L85 Y94 L119 M122 A123 V126 V153 | L77-M81 WeakPolarHBondContact O-CB 3.29Å; L77-M81 PolarHBondContact O-N 3.27Å; V78-M81 PolarHBondContact O-N 3.32Å; M81-W83 VanDerWaalsContact C-N 3.3Å; M81-W83 PolarHBondContact O-N 2.83Å; M81-R84 PolarHBondContact O-N 3.38Å; M81-L85 HydrophobicContact CG-CD1 3.81Å; M81-L85 WeakPolarHBondContact O-CB 3.26Å; M81-L85 WeakPolarHBondContact O-CG 3.38Å; M81-L85 PolarHBondContact O-N 2.65Å; M81-Y94 VanDerWaalsContact CA-OH 3.31Å; M81-Y94 WeakPolarHBondContact CA-OH 3.33Å; M81-Y94 WeakPolarHBondContact CB-OH 3.36Å; M81-Y94 HydrophobicContact CE-CE2 4.42Å; M81-L119 HydrophobicContact CE-CD1 3.52Å; M81-L119 HydrophobicContact CE-CG 4.26Å; M81-M122 HydrophobicContact CE-CB 3.72Å; M81-M122 HydrophobicContact CE-CE 4.2Å; M81-M122 HydrophobicContact SD-CB 3.88Å; M81-A123 HydrophobicContact SD-CB 4.44Å; M81-V126 HydrophobicContact CG-CG2 4.35Å; M81-V126 HydrophobicContact SD-CG2 4.1Å; M81-V153 HydrophobicContact CE-CG2 4.43Å; M81-V153 HydrophobicContact SD-CG1 4.36Å |
| 82 | K | 87.8 | Confident | 81.1 | Confident | 118 Ų | 118 | 91.5 Ų | 91.5 | 51% | 0.513 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -57.3 | -43.5 | 175.1 | -176.2 | 179.8 | 176.6 | -178.5 | 0 | 111.5 | V78 T79 L85 Q86 | V78-K82 WeakPolarHBondContact O-CB 3.22Å; V78-K82 PolarHBondContact O-N 2.91Å; T79-K82 PolarHBondContact O-N 3.39Å; K82-L85 PolarHBondContact O-N 2.86Å; K82-Q86 VanDerWaalsContact O-CG 3.3Å; K82-Q86 WeakPolarHBondContact O-CG 3.37Å; K82-Q86 PolarHBondContact O-N 3.09Å |
| 83 | W | 86.4 | Confident | 82.7 | Confident | 136 Ų | 136 | 86.4 Ų | 86.4 | 52% | 0.515 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 176.4 | -175 | 79.7 | 0 | 0 | 0 | 112.6 | T79 Q80 M81 L85 Q86 E87 | T79-W83 PolarHBondContact O-N 2.97Å; Q80-W83 PolarHBondContact O-N 3.14Å; M81-W83 VanDerWaalsContact C-N 3.3Å; M81-W83 PolarHBondContact O-N 2.83Å; W83-L85 VanDerWaalsContact C-N 3.31Å; W83-L85 PolarHBondContact O-N 2.8Å; W83-Q86 PolarHBondContact O-N 3.46Å; W83-E87 HydrophobicContact CD2-CG 4.05Å; W83-E87 HydrophobicContact CE3-CG 4.24Å; W83-E87 HydrophobicContact CH2-CG 3.76Å; W83-E87 HydrophobicContact CZ2-CG 3.53Å; W83-E87 HydrophobicContact CZ3-CG 4.11Å; W83-E87 PolarHBondContact O-N 3.39Å |
| 84 | R | 85.4 | Confident | 83.8 | Confident | 127 Ų | 127 | 78.3 Ų | 78.3 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 176.9 | -71.7 | -66.9 | -179 | 95.4 | -2.7 | 112.5 | Q80 M81 G88 A92 | Q80-R84 WeakPolarHBondContact O-CG 3.5Å; Q80-R84 PolarHBondContact O-N 3.32Å; M81-R84 PolarHBondContact O-N 3.38Å; R84-G88 PolarHBondContact O-N 3.26Å; R84-A92 HydrophobicContact CB-CB 4.31Å |
| 85 | L | 85.8 | Confident | 84.6 | Confident | 6 Ų | 6 | 81.1 Ų | 81.1 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.9 | -31.4 | 175.1 | -70.9 | 163.7 | 0 | 0 | 0 | 112.6 | M81 K82 W83 R89 G90 A92 V126 A128 V153 K155 | M81-L85 HydrophobicContact CG-CD1 3.81Å; M81-L85 WeakPolarHBondContact O-CB 3.26Å; M81-L85 WeakPolarHBondContact O-CG 3.38Å; M81-L85 PolarHBondContact O-N 2.65Å; K82-L85 PolarHBondContact O-N 2.86Å; W83-L85 VanDerWaalsContact C-N 3.31Å; W83-L85 PolarHBondContact O-N 2.8Å; L85-R89 PolarHBondContact O-N 3.06Å; L85-G90 WeakPolarHBondContact CD2-O 3.11Å; L85-G90 WeakPolarHBondContact O-CA 3.32Å; L85-G90 PolarHBondContact O-N 2.92Å; L85-A92 HydrophobicContact CD2-CB 3.71Å; L85-A92 HydrophobicContact CG-CB 4.11Å; L85-V126 HydrophobicContact CD1-CG1 3.75Å; L85-A128 HydrophobicContact CD1-CB 4.3Å; L85-V153 HydrophobicContact CD1-CG1 4.1Å; L85-V153 HydrophobicContact CD2-CB 4.43Å; L85-V153 HydrophobicContact CD2-CG1 4.15Å; L85-V153 WeakPolarHBondContact CD2-O 3.28Å; L85-K155 HydrophobicContact CD1-CB 4.36Å; L85-K155 HydrophobicContact CD2-CB 4.5Å |
| 86 | Q | 84.1 | Confident | 85 | Confident | 129 Ų | 129 | 77.9 Ų | 77.9 | 60% | 0.603 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -71.1 | -45.8 | 176 | -75.1 | 176.9 | -61.5 | 0 | 0 | 112.1 | K82 W83 R89 | K82-Q86 VanDerWaalsContact O-CG 3.3Å; K82-Q86 WeakPolarHBondContact O-CG 3.37Å; K82-Q86 PolarHBondContact O-N 3.09Å; W83-Q86 PolarHBondContact O-N 3.46Å; Q86-R89 PolarHBondContact O-N 3.18Å |
| 87 | E | 83.8 | Confident | 85.1 | Confident | 131 Ų | 131 | 73.3 Ų | 73.3 | 61% | 0.612 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.5 | -46 | 172.7 | -68.7 | -71.5 | 125.3 | 0 | 0 | 111.4 | W83 R89 | W83-E87 HydrophobicContact CD2-CG 4.05Å; W83-E87 HydrophobicContact CE3-CG 4.24Å; W83-E87 HydrophobicContact CH2-CG 3.76Å; W83-E87 HydrophobicContact CZ2-CG 3.53Å; W83-E87 HydrophobicContact CZ3-CG 4.11Å; W83-E87 PolarHBondContact O-N 3.39Å; E87-R89 PolarHBondContact O-N 3.46Å; E87-R89 VanDerWaalsContact O-N 3.13Å |
| 88 | G | 76.1 | Confident | 85.3 | Confident | 32 Ų | 32 | 71.9 Ų | 71.9 | 33% | 0.33 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 16.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | R84 G90 E91 | R84-G88 PolarHBondContact O-N 3.26Å; G88-G90 PolarHBondContact O-N 2.85Å; G88-G90 VanDerWaalsContact O-N 3.1Å; G88-E91 WeakPolarHBondContact CA-O 3.27Å; G88-E91 PolarHBondContact O-N 2.75Å |
| 89 | R | 79.9 | Confident | 85 | Confident | 232 Ų | 232 | 75.2 Ų | 75.2 | 88% | 0.875 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 26.2 | 178.9 | -54.8 | -175.9 | 177.5 | -168.5 | -0.5 | 115.5 | L85 Q86 E87 | L85-R89 PolarHBondContact O-N 3.06Å; Q86-R89 PolarHBondContact O-N 3.18Å; E87-R89 PolarHBondContact O-N 3.46Å; E87-R89 VanDerWaalsContact O-N 3.13Å |
| 90 | G | 79.9 | Confident | 84.6 | Confident | 11 Ų | 11 | 80.4 Ų | 80.4 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 108.9 | -7.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L85 G88 R154 K155 | L85-G90 WeakPolarHBondContact CD2-O 3.11Å; L85-G90 WeakPolarHBondContact O-CA 3.32Å; L85-G90 PolarHBondContact O-N 2.92Å; G88-G90 PolarHBondContact O-N 2.85Å; G88-G90 VanDerWaalsContact O-N 3.1Å; G90-R154 CarbonylContact O-C 3.57Å; G90-R154 WeakPolarHBondContact O-CA 3.2Å; G90-K155 PolarHBondContact O-N 3.43Å |
| 91 | E | 85.8 | Confident | 84.3 | Confident | 91 Ų | 91 | 82.6 Ų | 82.6 | 43% | 0.425 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 133.3 | -175.6 | -72.9 | 170.4 | -170.4 | 0 | 0 | 111.5 | G88 L152 R154 | G88-E91 WeakPolarHBondContact CA-O 3.27Å; G88-E91 PolarHBondContact O-N 2.75Å; E91-L152 HydrophobicContact CB-CD1 4.42Å; E91-R154 HydrophobicContact CG-CG 3.92Å; E91-R154 IonicContact OE1-CZ 2.64Å; E91-R154 IonicContact OE1-NE 3.19Å; E91-R154 PolarHBondContact OE1-NE 3.15Å; E91-R154 IonicContact OE1-NH2 2.98Å; E91-R154 PolarHBondContact OE1-NH2 2.94Å |
| 92 | A | 87.6 | Confident | 83.9 | Confident | 11 Ų | 11 | 85 Ų | 85 | 9% | 0.091 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 129.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R84 L85 Y94 V153 | R84-A92 HydrophobicContact CB-CB 4.31Å; L85-A92 HydrophobicContact CD2-CB 3.71Å; L85-A92 HydrophobicContact CG-CB 4.11Å; A92-Y94 HydrophobicContact CB-CE2 3.91Å; A92-V153 PolarHBondContact N-O 3.04Å; A92-V153 PolarHBondContact O-N 2.81Å |
| 93 | V | 89.8 | Confident | 83.5 | Confident | 80 Ų | 80 | 83.7 Ų | 83.7 | 49% | 0.485 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.1 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | E150 V151 L152 | V93-E150 HydrophobicContact CG1-CG 3.84Å; V93-V151 WeakPolarHBondContact CA-O 3.45Å; V93-L152 HydrophobicContact CG2-CD1 4.07Å |
| 94 | Y | 88.1 | Confident | 83.2 | Confident | 54 Ų | 54 | 81.1 Ų | 81.1 | 21% | 0.212 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.4 | 175.8 | -73 | -96.8 | 0 | 0 | 0 | 109.5 | M81 A92 L119 E150 V151 V153 | M81-Y94 VanDerWaalsContact CA-OH 3.31Å; M81-Y94 WeakPolarHBondContact CA-OH 3.33Å; M81-Y94 WeakPolarHBondContact CB-OH 3.36Å; M81-Y94 HydrophobicContact CE-CE2 4.42Å; A92-Y94 HydrophobicContact CB-CE2 3.91Å; Y94-L119 HydrophobicContact CD1-CD1 4.21Å; Y94-L119 HydrophobicContact CE1-CD1 4.49Å; Y94-L119 HydrophobicContact CG-CD1 4.22Å; Y94-E150 WeakPolarHBondContact O-CA 3.24Å; Y94-V151 PolarHBondContact N-O 1.93Å; Y94-V151 PolarHBondContact O-N 3.46Å; Y94-V153 HydrophobicContact CD2-CB 4.29Å; Y94-V153 HydrophobicContact CD2-CG2 3.61Å; Y94-V153 HydrophobicContact CE2-CB 4.15Å; Y94-V153 HydrophobicContact CE2-CG2 3.78Å |
| 95 | Q | 88.6 | Confident | 83.1 | Confident | 105 Ų | 105 | 77.2 Ų | 77.2 | 49% | 0.491 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 118.2 | 173 | -67.2 | 178 | -6.2 | 0 | 0 | 108.2 | V98 E150 | Q95-V98 HydrophobicContact CB-CB 4.47Å; Q95-V98 HydrophobicContact CB-CG2 3.85Å; Q95-E150 HydrophobicContact CG-CG 4.26Å; Q95-E150 PolarHBondContact NE2-OE1 2.89Å |
| 96 | I | 88.3 | Confident | 83 | Confident | 22 Ų | 22 | 77.1 Ų | 77.1 | 11% | 0.113 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 130 | -176.7 | -52 | 178 | 0 | 0 | 0 | 108.3 | L107 M112 L116 L119 I148 T149 V151 | I96-L107 HydrophobicContact CG2-CD1 3.69Å; I96-M112 HydrophobicContact CB-CE 4.08Å; I96-M112 HydrophobicContact CB-SD 3.89Å; I96-M112 HydrophobicContact CD1-SD 4.32Å; I96-M112 HydrophobicContact CG2-CE 3.89Å; I96-M112 HydrophobicContact CG2-SD 3.55Å; I96-M112 VanDerWaalsContact CG2-SD 3.55Å; I96-L116 HydrophobicContact CD1-CD2 3.67Å; I96-L116 HydrophobicContact CD1-CG 4.18Å; I96-L119 HydrophobicContact CD1-CD2 4.4Å; I96-I148 VanDerWaalsContact O-CA 3.28Å; I96-I148 WeakPolarHBondContact O-CA 3.13Å; I96-I148 WeakPolarHBondContact O-CG2 3.23Å; I96-T149 PolarHBondContact N-O 3.13Å; I96-T149 PolarHBondContact O-N 3.04Å; I96-T149 VanDerWaalsContact O-N 3.14Å; I96-V151 HydrophobicContact CD1-CG2 4.01Å |
| 97 | G | 83.7 | Confident | 83 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | 20.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | V105 G106 I148 | G97-V105 PolarHBondContact O-N 3.37Å; G97-G106 PolarHBondContact O-N 2.9Å; G97-I148 WeakPolarHBondContact O-CD1 3.47Å |
| 98 | V | 85.2 | Confident | 83.2 | Confident | 39 Ų | 39 | 68.4 Ų | 68.4 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | trans | -118 | 136.5 | 173 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | Q95 L103 L104 I148 | Q95-V98 HydrophobicContact CB-CB 4.47Å; Q95-V98 HydrophobicContact CB-CG2 3.85Å; V98-L103 WeakPolarHBondContact CA-O 3.38Å; V98-L104 HydrophobicContact CG1-CD2 4.2Å; V98-L104 HydrophobicContact CG2-CD2 3.8Å; V98-I148 HydrophobicContact CG2-CD1 4.29Å; V98-I148 HydrophobicContact CG2-CG2 3.97Å | ||
| 99 | E | 80.6 | Confident | 83.6 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 43% | 0.425 | 38% | 0.379 | S | S | . | . | trans | -78.6 | 162.7 | 172.6 | -71 | -170.5 | 170.8 | 0 | 0 | 112.5 | N101 G102 L103 V105 | E99-N101 PolarHBondContact O-N 2.8Å; E99-N101 PolarHBondContact OE2-ND2 2.78Å; E99-N101 VanDerWaalsContact OE2-ND2 3.12Å; E99-G102 PolarHBondContact O-N 3.34Å; E99-L103 HydrophobicContact CB-CB 4.35Å; E99-L103 PolarHBondContact N-O 2.75Å; E99-V105 HydrophobicContact CG-CG2 3.76Å | ||
| 100 | D | 76.6 | Confident | 83.9 | Confident | 178 Ų | 178 | 68.1 Ų | 68.1 | 95% | 0.952 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -23.3 | 171.8 | -62.5 | -50.2 | 0 | 0 | 0 | 113.5 | G102 | D100-G102 VanDerWaalsContact C-N 3.27Å; D100-G102 PolarHBondContact O-N 2.85Å |
| 101 | N | 80.9 | Confident | 84.2 | Confident | 129 Ų | 129 | 72.6 Ų | 72.6 | 69% | 0.69 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -4.5 | 174.7 | -58.4 | -53.2 | 0 | 0 | 0 | 114.1 | E99 L103 | E99-N101 PolarHBondContact O-N 2.8Å; E99-N101 PolarHBondContact OE2-ND2 2.78Å; E99-N101 VanDerWaalsContact OE2-ND2 3.12Å; N101-L103 VanDerWaalsContact C-N 3.32Å; N101-L103 HydrophobicContact CB-CD1 4.34Å; N101-L103 HydrophobicContact CB-CG 4.16Å |
| 102 | G | 77.3 | Confident | 84.2 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 54% | 0.536 | 37% | 0.371 | S | S | . | . | trans | 79.6 | 7.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E99 D100 | E99-G102 PolarHBondContact O-N 3.34Å; D100-G102 VanDerWaalsContact C-N 3.27Å; D100-G102 PolarHBondContact O-N 2.85Å | ||
| 103 | L | 79.6 | Confident | 84.2 | Confident | 89 Ų | 89 | 74.3 Ų | 74.3 | 47% | 0.466 | 39% | 0.391 | S | S | . | . | trans | -75.9 | 129.1 | 180 | -67 | 176.4 | 0 | 0 | 0 | 111.3 | V98 E99 N101 V105 | V98-L103 WeakPolarHBondContact CA-O 3.38Å; E99-L103 HydrophobicContact CB-CB 4.35Å; E99-L103 PolarHBondContact N-O 2.75Å; N101-L103 VanDerWaalsContact C-N 3.32Å; N101-L103 HydrophobicContact CB-CD1 4.34Å; N101-L103 HydrophobicContact CB-CG 4.16Å; L103-V105 VanDerWaalsContact C-N 3.28Å; L103-V105 HydrophobicContact CB-CG2 4.18Å; L103-V105 PolarHBondContact O-N 3.32Å | ||
| 104 | L | 80.8 | Confident | 84.1 | Confident | 83 Ų | 83 | 73 Ų | 73 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | trans | -82.4 | 65.4 | -177.9 | -60.3 | -175.1 | 0 | 0 | 0 | 111.3 | V98 G106 I148 | V98-L104 HydrophobicContact CG1-CD2 4.2Å; V98-L104 HydrophobicContact CG2-CD2 3.8Å; L104-G106 PolarHBondContact O-N 3.24Å; L104-I148 HydrophobicContact CB-CD1 3.56Å; L104-I148 HydrophobicContact CD2-CD1 3.8Å; L104-I148 HydrophobicContact CG-CD1 4.19Å | ||
| 105 | V | 82.4 | Confident | 84.1 | Confident | 45 Ų | 45 | 72.5 Ų | 72.5 | 27% | 0.273 | 39% | 0.393 | S | S | . | . | trans | -70 | -30.7 | -174.4 | 175.7 | 0 | 0 | 0 | 0 | 113.1 | G97 E99 L103 R146 | G97-V105 PolarHBondContact O-N 3.37Å; E99-V105 HydrophobicContact CG-CG2 3.76Å; L103-V105 VanDerWaalsContact C-N 3.28Å; L103-V105 HydrophobicContact CB-CG2 4.18Å; L103-V105 PolarHBondContact O-N 3.32Å; V105-R146 WeakPolarHBondContact O-CD 3.39Å; V105-R146 PolarHBondContact O-NH1 2.87Å | ||
| 106 | G | 83.3 | Confident | 84.1 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | trans | 67.7 | 155.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G97 L104 | G97-G106 PolarHBondContact O-N 2.9Å; L104-G106 PolarHBondContact O-N 3.24Å | ||
| 107 | L | 84.6 | Confident | 84.1 | Confident | 41 Ų | 41 | 75.7 Ų | 75.7 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | -112 | 156.3 | 175.1 | -62.1 | -174.4 | 0 | 0 | 0 | 111.5 | I96 E111 M112 R146 K147 | I96-L107 HydrophobicContact CG2-CD1 3.69Å; L107-E111 HydrophobicContact CB-CB 4.09Å; L107-E111 HydrophobicContact CD1-CB 4.31Å; L107-M112 HydrophobicContact CB-CB 4.47Å; L107-M112 HydrophobicContact CB-CE 4.35Å; L107-R146 WeakPolarHBondContact O-CA 3.42Å; L107-K147 PolarHBondContact N-O 2.73Å; L107-K147 PolarHBondContact O-N 3.44Å |
| 108 | A | 87.1 | Confident | 84.3 | Confident | 37 Ų | 37 | 77.9 Ų | 77.9 | 31% | 0.306 | 42% | 0.417 | S | S | . | . | trans | -67.5 | 157.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E110 E111 M112 | A108-E110 VanDerWaalsContact C-N 3.27Å; A108-E110 PolarHBondContact O-N 2.92Å; A108-E111 HydrophobicContact CB-CG 4.3Å; A108-E111 PolarHBondContact N-OE2 3.1Å; A108-E111 PolarHBondContact O-N 2.91Å; A108-E111 VanDerWaalsContact O-N 3.15Å; A108-M112 PolarHBondContact O-N 3.22Å | ||
| 109 | E | 85.6 | Confident | 84.5 | Confident | 98 Ų | 98 | 76.5 Ų | 76.5 | 46% | 0.458 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.4 | -35.8 | -175.3 | -155.1 | -161.8 | 166.2 | 0 | 0 | 112.9 | M112 R113 | E109-M112 PolarHBondContact O-N 2.98Å; E109-R113 VanDerWaalsContact CD-CZ 3.5Å; E109-R113 WeakPolarHBondContact O-CB 3.02Å; E109-R113 WeakPolarHBondContact O-CD 3.27Å; E109-R113 WeakPolarHBondContact O-CG 3.29Å; E109-R113 PolarHBondContact O-N 3.35Å; E109-R113 IonicContact OE1-CZ 3.56Å; E109-R113 IonicContact OE1-NE 2.65Å; E109-R113 PolarHBondContact OE1-NE 2.96Å; E109-R113 IonicContact OE1-NH2 3.14Å; E109-R113 PolarHBondContact OE1-NH2 2.98Å; E109-R113 IonicContact OE2-CZ 4Å; E109-R113 IonicContact OE2-NH2 3.71Å; E109-R113 PolarHBondContact OE2-NH2 2.77Å |
| 110 | E | 86.3 | Confident | 84.9 | Confident | 159 Ų | 159 | 77.1 Ų | 77.1 | 74% | 0.743 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.9 | -42.1 | 177.3 | -57.6 | -164.8 | 153 | 0 | 0 | 112.4 | A108 R113 A114 | A108-E110 VanDerWaalsContact C-N 3.27Å; A108-E110 PolarHBondContact O-N 2.92Å; E110-R113 PolarHBondContact O-N 3.31Å; E110-A114 WeakPolarHBondContact O-CB 3.28Å; E110-A114 PolarHBondContact O-N 2.91Å |
| 111 | E | 85.8 | Confident | 85.5 | Confident | 105 Ų | 105 | 75.9 Ų | 75.9 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 176.9 | -61.7 | 178.1 | 135.2 | 0 | 0 | 111.4 | L107 A108 A114 S115 | L107-E111 HydrophobicContact CB-CB 4.09Å; L107-E111 HydrophobicContact CD1-CB 4.31Å; A108-E111 HydrophobicContact CB-CG 4.3Å; A108-E111 PolarHBondContact N-OE2 3.1Å; A108-E111 PolarHBondContact O-N 2.91Å; A108-E111 VanDerWaalsContact O-N 3.15Å; E111-A114 PolarHBondContact O-N 3.03Å; E111-S115 WeakPolarHBondContact O-CB 3.33Å; E111-S115 PolarHBondContact O-N 3.17Å; E111-S115 PolarHBondContact O-OG 3.11Å |
| 112 | M | 86.3 | Confident | 85.8 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 3% | 0.03 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -48.2 | 173.4 | -175.3 | 58.2 | 77.3 | 0 | 0 | 110.9 | I96 L107 A108 E109 A114 S115 L116 K147 T149 | I96-M112 HydrophobicContact CB-CE 4.08Å; I96-M112 HydrophobicContact CB-SD 3.89Å; I96-M112 HydrophobicContact CD1-SD 4.32Å; I96-M112 HydrophobicContact CG2-CE 3.89Å; I96-M112 HydrophobicContact CG2-SD 3.55Å; I96-M112 VanDerWaalsContact CG2-SD 3.55Å; L107-M112 HydrophobicContact CB-CB 4.47Å; L107-M112 HydrophobicContact CB-CE 4.35Å; A108-M112 PolarHBondContact O-N 3.22Å; E109-M112 PolarHBondContact O-N 2.98Å; M112-A114 VanDerWaalsContact C-N 3.3Å; M112-A114 PolarHBondContact O-N 3.25Å; M112-S115 PolarHBondContact O-N 3.04Å; M112-L116 HydrophobicContact CG-CD1 4.01Å; M112-L116 WeakPolarHBondContact O-CB 2.86Å; M112-L116 WeakPolarHBondContact O-CG 3.36Å; M112-L116 PolarHBondContact O-N 3.23Å; M112-L116 HydrophobicContact SD-CD1 4.3Å; M112-L116 HydrophobicContact SD-CG 4.32Å; M112-K147 HydrophobicContact CE-CB 4.35Å; M112-K147 WeakPolarHBondContact CE-O 3.24Å; M112-T149 WeakPolarHBondContact CE-OG1 3.29Å; M112-T149 PolarHBondContact SD-OG1 3.49Å; M112-T149 VanDerWaalsContact SD-OG1 3.41Å |
| 113 | R | 88.3 | Confident | 86.3 | Confident | 132 Ų | 132 | 68.1 Ų | 68.1 | 50% | 0.498 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.8 | -37.5 | 174.7 | -71.2 | 163.7 | 176.7 | -168.8 | 1.2 | 111.9 | E109 E110 K117 | E109-R113 VanDerWaalsContact CD-CZ 3.5Å; E109-R113 WeakPolarHBondContact O-CB 3.02Å; E109-R113 WeakPolarHBondContact O-CD 3.27Å; E109-R113 WeakPolarHBondContact O-CG 3.29Å; E109-R113 PolarHBondContact O-N 3.35Å; E109-R113 IonicContact OE1-CZ 3.56Å; E109-R113 IonicContact OE1-NE 2.65Å; E109-R113 PolarHBondContact OE1-NE 2.96Å; E109-R113 IonicContact OE1-NH2 3.14Å; E109-R113 PolarHBondContact OE1-NH2 2.98Å; E109-R113 IonicContact OE2-CZ 4Å; E109-R113 IonicContact OE2-NH2 3.71Å; E109-R113 PolarHBondContact OE2-NH2 2.77Å; E110-R113 PolarHBondContact O-N 3.31Å; R113-K117 WeakPolarHBondContact O-CB 3.29Å; R113-K117 VanDerWaalsContact O-CG 3.24Å; R113-K117 WeakPolarHBondContact O-CG 3.44Å; R113-K117 PolarHBondContact O-N 3.26Å; R113-K117 VanDerWaalsContact O-N 3.13Å |
| 114 | A | 86.8 | Confident | 86.7 | Confident | 53 Ų | 53 | 69.7 Ų | 69.7 | 44% | 0.438 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70 | -37.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E110 E111 M112 T118 | E110-A114 WeakPolarHBondContact O-CB 3.28Å; E110-A114 PolarHBondContact O-N 2.91Å; E111-A114 PolarHBondContact O-N 3.03Å; M112-A114 VanDerWaalsContact C-N 3.3Å; M112-A114 PolarHBondContact O-N 3.25Å; A114-T118 PolarHBondContact O-N 2.65Å; A114-T118 PolarHBondContact O-OG1 3.48Å |
| 115 | S | 87.4 | Confident | 87 | Confident | 43 Ų | 43 | 71.9 Ų | 71.9 | 30% | 0.301 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.8 | -45.8 | 178.3 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | E111 M112 K117 T118 L119 | E111-S115 WeakPolarHBondContact O-CB 3.33Å; E111-S115 PolarHBondContact O-N 3.17Å; E111-S115 PolarHBondContact O-OG 3.11Å; M112-S115 PolarHBondContact O-N 3.04Å; S115-K117 PolarHBondContact O-N 3.08Å; S115-T118 WeakPolarHBondContact O-CB 3.46Å; S115-T118 PolarHBondContact O-N 2.64Å; S115-T118 VanDerWaalsContact O-N 3.1Å; S115-L119 PolarHBondContact O-N 3.22Å |
| 116 | L | 88.5 | Confident | 87.1 | Confident | 45 Ų | 45 | 70.7 Ų | 70.7 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 174.3 | -71 | 168.5 | 0 | 0 | 0 | 112.3 | I96 M112 T118 L119 H120 T149 V151 | I96-L116 HydrophobicContact CD1-CD2 3.67Å; I96-L116 HydrophobicContact CD1-CG 4.18Å; M112-L116 HydrophobicContact CG-CD1 4.01Å; M112-L116 WeakPolarHBondContact O-CB 2.86Å; M112-L116 WeakPolarHBondContact O-CG 3.36Å; M112-L116 PolarHBondContact O-N 3.23Å; M112-L116 HydrophobicContact SD-CD1 4.3Å; M112-L116 HydrophobicContact SD-CG 4.32Å; L116-T118 VanDerWaalsContact C-N 3.28Å; L116-T118 PolarHBondContact O-N 2.78Å; L116-L119 PolarHBondContact O-N 3.45Å; L116-H120 WeakPolarHBondContact O-CB 3.18Å; L116-H120 PolarHBondContact O-N 3.12Å; L116-T149 HydrophobicContact CD2-CG2 4.47Å; L116-V151 HydrophobicContact CD2-CG2 3.92Å |
| 117 | K | 89.1 | Confident | 87.2 | Confident | 149 Ų | 149 | 72.7 Ų | 72.7 | 65% | 0.648 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.7 | -36.6 | 172.1 | -76.9 | 171.3 | -178.5 | 177.4 | 0 | 112.6 | R113 S115 R121 | R113-K117 WeakPolarHBondContact O-CB 3.29Å; R113-K117 VanDerWaalsContact O-CG 3.24Å; R113-K117 WeakPolarHBondContact O-CG 3.44Å; R113-K117 PolarHBondContact O-N 3.26Å; R113-K117 VanDerWaalsContact O-N 3.13Å; S115-K117 PolarHBondContact O-N 3.08Å; K117-R121 WeakPolarHBondContact O-CG 3.38Å; K117-R121 PolarHBondContact O-N 2.76Å |
| 118 | T | 88.2 | Confident | 87.3 | Confident | 58 Ų | 58 | 71.5 Ų | 71.5 | 36% | 0.356 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.6 | -43.7 | 177.1 | -55.4 | 0 | 0 | 0 | 0 | 110.6 | F74 A114 S115 L116 H120 R121 M122 | F74-T118 HydrophobicContact CD2-CG2 4.43Å; F74-T118 HydrophobicContact CE2-CG2 4.22Å; A114-T118 PolarHBondContact O-N 2.65Å; A114-T118 PolarHBondContact O-OG1 3.48Å; S115-T118 WeakPolarHBondContact O-CB 3.46Å; S115-T118 PolarHBondContact O-N 2.64Å; S115-T118 VanDerWaalsContact O-N 3.1Å; L116-T118 VanDerWaalsContact C-N 3.28Å; L116-T118 PolarHBondContact O-N 2.78Å; T118-H120 PolarHBondContact O-N 2.84Å; T118-R121 PolarHBondContact O-N 3.27Å; T118-M122 HydrophobicContact CG2-CE 4.3Å; T118-M122 WeakPolarHBondContact O-CG 3.33Å; T118-M122 PolarHBondContact O-N 3.49Å; T118-M122 VanDerWaalsContact O-N 3.14Å |
| 119 | L | 88.8 | Confident | 87.3 | Confident | 10 Ų | 10 | 73.2 Ų | 73.2 | 5% | 0.052 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 174.9 | -166.5 | 75.5 | 0 | 0 | 0 | 111.8 | M81 Y94 I96 S115 L116 R121 M122 A123 I130 V151 V153 | M81-L119 HydrophobicContact CE-CD1 3.52Å; M81-L119 HydrophobicContact CE-CG 4.26Å; Y94-L119 HydrophobicContact CD1-CD1 4.21Å; Y94-L119 HydrophobicContact CE1-CD1 4.49Å; Y94-L119 HydrophobicContact CG-CD1 4.22Å; I96-L119 HydrophobicContact CD1-CD2 4.4Å; S115-L119 PolarHBondContact O-N 3.22Å; L116-L119 PolarHBondContact O-N 3.45Å; L119-R121 PolarHBondContact O-N 3.23Å; L119-M122 HydrophobicContact CD1-CE 4.06Å; L119-M122 PolarHBondContact O-N 2.92Å; L119-M122 VanDerWaalsContact O-N 3.13Å; L119-A123 PolarHBondContact O-N 2.82Å; L119-I130 HydrophobicContact CB-CD1 4.45Å; L119-I130 HydrophobicContact CD2-CD1 4.15Å; L119-I130 HydrophobicContact CG-CD1 3.99Å; L119-V151 HydrophobicContact CD2-CB 4.08Å; L119-V151 HydrophobicContact CD2-CG1 3.66Å; L119-V151 HydrophobicContact CD2-CG2 4.35Å; L119-V153 HydrophobicContact CD1-CG2 4.48Å; L119-V153 HydrophobicContact CD2-CG2 4.29Å; L119-V153 HydrophobicContact CG-CG2 4.47Å |
| 120 | H | 89.2 | Confident | 87.4 | Confident | 104 Ų | 104 | 70.9 Ų | 70.9 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58 | -49.9 | 176.5 | -160.7 | 67.4 | 0 | 0 | 0 | 111.9 | L116 T118 M122 A123 E124 I130 | L116-H120 WeakPolarHBondContact O-CB 3.18Å; L116-H120 PolarHBondContact O-N 3.12Å; T118-H120 PolarHBondContact O-N 2.84Å; H120-M122 PolarHBondContact O-N 3.47Å; H120-A123 PolarHBondContact O-N 3.36Å; H120-A123 VanDerWaalsContact O-N 3.11Å; H120-E124 IonicContact CD2-OE1 2.62Å; H120-E124 PolarHBondContact CD2-OE1 3.48Å; H120-E124 VanDerWaalsContact CD2-OE1 3.29Å; H120-E124 IonicContact NE2-OE1 2.64Å; H120-E124 WeakPolarHBondContact O-CG 3.16Å; H120-E124 PolarHBondContact O-N 2.98Å; H120-I130 HydrophobicContact CB-CD1 4.33Å |
| 121 | R | 88.8 | Confident | 87.5 | Confident | 153 Ų | 153 | 65.8 Ų | 65.8 | 58% | 0.577 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.4 | -23.3 | 177.3 | -66.1 | 176.2 | 73.7 | -157.2 | 4.4 | 113.9 | F74 K117 T118 L119 E124 | F74-R121 HydrophobicContact CE2-CB 4.21Å; F74-R121 HydrophobicContact CZ-CB 3.88Å; K117-R121 WeakPolarHBondContact O-CG 3.38Å; K117-R121 PolarHBondContact O-N 2.76Å; T118-R121 PolarHBondContact O-N 3.27Å; L119-R121 PolarHBondContact O-N 3.23Å; R121-E124 WeakPolarHBondContact CA-OE2 3.45Å |
| 122 | M | 88.4 | Confident | 87.7 | Confident | 17 Ų | 17 | 64 Ų | 64 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -79.6 | -43.2 | 173.1 | -66.1 | -172.9 | -64.1 | 0 | 0 | 111.3 | F74 L77 V78 M81 T118 L119 H120 K125 V126 | F74-M122 HydrophobicContact CD2-CG 4.25Å; F74-M122 HydrophobicContact CE1-CG 4.31Å; F74-M122 HydrophobicContact CE2-CG 3.51Å; F74-M122 HydrophobicContact CE2-SD 4.37Å; F74-M122 HydrophobicContact CZ-CB 4.48Å; F74-M122 HydrophobicContact CZ-CG 3.55Å; L77-M122 HydrophobicContact CB-SD 3.37Å; L77-M122 WeakPolarHBondContact CB-SD 3.31Å; L77-M122 HydrophobicContact CD1-SD 4.16Å; L77-M122 HydrophobicContact CG-SD 4.38Å; V78-M122 HydrophobicContact CG2-CB 3.96Å; V78-M122 HydrophobicContact CG2-CG 3.73Å; V78-M122 HydrophobicContact CG2-SD 4.45Å; M81-M122 HydrophobicContact CE-CB 3.72Å; M81-M122 HydrophobicContact CE-CE 4.2Å; M81-M122 HydrophobicContact SD-CB 3.88Å; T118-M122 HydrophobicContact CG2-CE 4.3Å; T118-M122 WeakPolarHBondContact O-CG 3.33Å; T118-M122 PolarHBondContact O-N 3.49Å; T118-M122 VanDerWaalsContact O-N 3.14Å; L119-M122 HydrophobicContact CD1-CE 4.06Å; L119-M122 PolarHBondContact O-N 2.92Å; L119-M122 VanDerWaalsContact O-N 3.13Å; H120-M122 PolarHBondContact O-N 3.47Å; M122-K125 PolarHBondContact O-N 2.88Å; M122-V126 WeakPolarHBondContact O-CG2 3.38Å; M122-V126 PolarHBondContact O-N 3.41Å; M122-V126 VanDerWaalsContact O-N 3.12Å |
| 123 | A | 87.9 | Confident | 87.7 | Confident | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M81 L119 H120 K125 V126 G127 A128 I130 V153 | M81-A123 HydrophobicContact SD-CB 4.44Å; L119-A123 PolarHBondContact O-N 2.82Å; H120-A123 PolarHBondContact O-N 3.36Å; H120-A123 VanDerWaalsContact O-N 3.11Å; A123-K125 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 2.94Å; A123-V126 CarbonylContact O-C 3.55Å; A123-V126 PolarHBondContact O-N 3.14Å; A123-V126 VanDerWaalsContact O-N 3.09Å; A123-G127 PolarHBondContact O-N 2.88Å; A123-A128 HydrophobicContact CB-CB 4.28Å; A123-A128 WeakPolarHBondContact CB-O 3.41Å; A123-A128 PolarHBondContact O-N 2.88Å; A123-I130 HydrophobicContact CB-CD1 3.62Å; A123-I130 HydrophobicContact CB-CG1 3.66Å; A123-V153 HydrophobicContact CB-CG1 4.39Å |
| 124 | E | 87.6 | Confident | 87.7 | Confident | 122 Ų | 122 | 68.4 Ų | 68.4 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -50.4 | -50.4 | 168.3 | -76.2 | 171.6 | 177.8 | 0 | 0 | 111.4 | H120 R121 V126 G127 | H120-E124 IonicContact CD2-OE1 2.62Å; H120-E124 PolarHBondContact CD2-OE1 3.48Å; H120-E124 VanDerWaalsContact CD2-OE1 3.29Å; H120-E124 IonicContact NE2-OE1 2.64Å; H120-E124 WeakPolarHBondContact O-CG 3.16Å; H120-E124 PolarHBondContact O-N 2.98Å; R121-E124 WeakPolarHBondContact CA-OE2 3.45Å; E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 2.78Å; E124-G127 PolarHBondContact O-N 2.77Å |
| 125 | K | 86.4 | Confident | 87.8 | Confident | 129 Ų | 129 | 70.7 Ų | 70.7 | 56% | 0.561 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.7 | -24.9 | 178.8 | -80.6 | -152.2 | -176 | -175 | 0 | 114.1 | F74 V78 M122 A123 | F74-K125 HydrophobicContact CE1-CD 3.96Å; V78-K125 HydrophobicContact CG1-CB 4.21Å; V78-K125 HydrophobicContact CG2-CB 4.4Å; V78-K125 HydrophobicContact CG2-CD 4.36Å; M122-K125 PolarHBondContact O-N 2.88Å; A123-K125 VanDerWaalsContact C-N 3.33Å; A123-K125 PolarHBondContact O-N 2.94Å |
| 126 | V | 85.3 | Confident | 87.8 | Confident | 20 Ų | 20 | 74.1 Ų | 74.1 | 12% | 0.121 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -90.7 | -18 | 178.7 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | V78 M81 L85 M122 A123 E124 A128 K155 | V78-V126 HydrophobicContact CG1-CG2 3.98Å; M81-V126 HydrophobicContact CG-CG2 4.35Å; M81-V126 HydrophobicContact SD-CG2 4.1Å; L85-V126 HydrophobicContact CD1-CG1 3.75Å; M122-V126 WeakPolarHBondContact O-CG2 3.38Å; M122-V126 PolarHBondContact O-N 3.41Å; M122-V126 VanDerWaalsContact O-N 3.12Å; A123-V126 CarbonylContact O-C 3.55Å; A123-V126 PolarHBondContact O-N 3.14Å; A123-V126 VanDerWaalsContact O-N 3.09Å; E124-V126 VanDerWaalsContact C-N 3.3Å; E124-V126 PolarHBondContact O-N 2.78Å; V126-A128 HydrophobicContact CG1-CB 4.43Å; V126-K155 HydrophobicContact CG1-CD 4.2Å; V126-K155 PolarHBondContact O-NZ 3.17Å |
| 127 | G | 85.1 | Confident | 87.7 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 45% | 0.454 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 61.6 | -168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A123 E124 K155 | A123-G127 PolarHBondContact O-N 2.88Å; E124-G127 PolarHBondContact O-N 2.77Å; G127-K155 WeakPolarHBondContact O-CG 3.36Å; G127-K155 PolarHBondContact O-NZ 2.84Å |
| 128 | A | 86.4 | Confident | 87.3 | Confident | 17 Ų | 17 | 71.9 Ų | 71.9 | 14% | 0.14 | 35% | 0.353 | C | S | . | . | trans | -133.9 | 143.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L85 A123 V126 V153 K155 | L85-A128 HydrophobicContact CD1-CB 4.3Å; A123-A128 HydrophobicContact CB-CB 4.28Å; A123-A128 WeakPolarHBondContact CB-O 3.41Å; A123-A128 PolarHBondContact O-N 2.88Å; V126-A128 HydrophobicContact CG1-CB 4.43Å; A128-V153 HydrophobicContact CB-CG1 3.8Å; A128-K155 HydrophobicContact CB-CB 3.95Å | ||
| 129 | D | 86.6 | Confident | 86.5 | Confident | 72 Ų | 72 | 76.4 Ų | 76.4 | 39% | 0.385 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 155.7 | 171.5 | -70.1 | -48.5 | 0 | 0 | 0 | 110.9 | V153 R154 | D129-V153 WeakPolarHBondContact O-CA 3.48Å; D129-R154 PolarHBondContact N-O 2.82Å; D129-R154 PolarHBondContact O-N 2.83Å |
| 130 | I | 88 | Confident | 85.5 | Confident | 50 Ų | 50 | 82 Ų | 82 | 26% | 0.256 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 129.3 | 173.8 | -61.5 | -169.9 | 0 | 0 | 0 | 109.8 | L119 H120 A123 V151 L152 V153 | L119-I130 HydrophobicContact CB-CD1 4.45Å; L119-I130 HydrophobicContact CD2-CD1 4.15Å; L119-I130 HydrophobicContact CG-CD1 3.99Å; H120-I130 HydrophobicContact CB-CD1 4.33Å; A123-I130 HydrophobicContact CB-CD1 3.62Å; A123-I130 HydrophobicContact CB-CG1 3.66Å; I130-V151 HydrophobicContact CG2-CG1 3.38Å; I130-L152 WeakPolarHBondContact CA-O 3.46Å; I130-V153 HydrophobicContact CG1-CG2 4.38Å |
| 131 | T | 89 | Confident | 84.1 | Confident | 51 Ų | 51 | 85.2 Ų | 85.2 | 31% | 0.313 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 123 | 172.1 | -55.6 | 0 | 0 | 0 | 0 | 109.4 | L133 L152 | T131-L133 PolarHBondContact O-N 2.96Å; T131-L152 PolarHBondContact N-O 2.82Å; T131-L152 PolarHBondContact O-N 3.36Å |
| 132 | V | 89.1 | Confident | 82.9 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 42% | 0.418 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 120 | 168.8 | 177.2 | 0 | 0 | 0 | 0 | 108 | E135 T149 V151 | V132-E135 HydrophobicContact CG1-CG 4.24Å; V132-T149 HydrophobicContact CG1-CG2 3.61Å; V132-T149 HydrophobicContact CG2-CG2 4.27Å; V132-V151 HydrophobicContact CG2-CG2 4.45Å |
| 133 | L | 87.9 | Confident | 81.9 | Confident | 95 Ų | 95 | 88.3 Ų | 88.3 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -41.4 | 178.3 | -64 | -176.8 | 0 | 0 | 0 | 111.5 | T131 E150 L152 | T131-L133 PolarHBondContact O-N 2.96Å; L133-E150 HydrophobicContact CB-CG 4.4Å; L133-E150 HydrophobicContact CD1-CG 4.43Å; L133-E150 PolarHBondContact N-O 3.39Å; L133-L152 HydrophobicContact CD1-CB 4Å; L133-L152 HydrophobicContact CD2-CB 3.87Å; L133-L152 HydrophobicContact CD2-CD2 4.26Å; L133-L152 HydrophobicContact CG-CB 3.81Å |
| 134 | R | 87.7 | Confident | 81.1 | Confident | 135 Ų | 135 | 94.7 Ų | 94.7 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 141.5 | -173.7 | -177.1 | 168.4 | -178.7 | 167 | 2.5 | 112 | R136 E150 | R134-R136 HydrophobicContact CG-CG 4.2Å; R134-E150 HydrophobicContact CB-CB 4.28Å; R134-E150 PolarHBondContact N-O 2.68Å; R134-E150 PolarHBondContact O-N 3.3Å |
| 135 | E | 89.4 | Confident | 80.6 | Confident | 101 Ų | 101 | 93 Ų | 93 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 150.4 | 160.3 | -61.2 | -166.2 | 166.2 | 0 | 0 | 110 | V132 I148 T149 | V132-E135 HydrophobicContact CG1-CG 4.24Å; E135-I148 CarbonylContact C-O 3.58Å; E135-I148 WeakPolarHBondContact CA-O 3.2Å; E135-T149 HydrophobicContact CG-CG2 4.07Å |
| 136 | R | 87.2 | Confident | 80.5 | Confident | 115 Ų | 115 | 90.6 Ų | 90.6 | 43% | 0.434 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 135.7 | 169.6 | -55 | -173.1 | -165 | -161.6 | 7.3 | 108.2 | R134 K147 I148 | R134-R136 HydrophobicContact CG-CG 4.2Å; R136-K147 CarbonylContact O-C 3.52Å; R136-K147 WeakPolarHBondContact O-CA 3.5Å; R136-I148 PolarHBondContact N-O 2.8Å; R136-I148 PolarHBondContact O-N 2.84Å |
| 137 | E | 85.3 | Confident | 80.6 | Confident | 120 Ų | 120 | 92 Ų | 92 | 56% | 0.561 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 149.4 | 164 | -79.4 | 151.1 | -166.6 | 0 | 0 | 109.3 | R146 K147 | E137-R146 CarbonylContact C-O 3.57Å; E137-R146 WeakPolarHBondContact CA-O 3.42Å; E137-K147 HydrophobicContact CG-CD 4.29Å; E137-K147 HydrophobicContact CG-CG 3.96Å; E137-K147 WeakPolarHBondContact OE1-CE 3.36Å; E137-K147 IonicContact OE1-NZ 3.25Å; E137-K147 PolarHBondContact OE1-NZ 3.29Å |
| 138 | V | 81.8 | Confident | 80.8 | Confident | 27 Ų | 27 | 90.5 Ų | 90.5 | 16% | 0.164 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 113.2 | 178.2 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | Y140 R146 I148 | V138-Y140 HydrophobicContact CG1-CD2 3.88Å; V138-Y140 HydrophobicContact CG1-CE2 4.14Å; V138-Y140 PolarHBondContact O-N 3.36Å; V138-R146 PolarHBondContact N-O 2.89Å; V138-I148 HydrophobicContact CG2-CD1 3.62Å; V138-I148 HydrophobicContact CG2-CG1 3.97Å |
| 139 | D | 71.5 | Confident | 80.9 | Confident | 153 Ų | 153 | 89.7 Ų | 89.7 | 82% | 0.818 | 45% | 0.447 | S | S | * | . | trans | -83.7 | 102.6 | 175.3 | -53.8 | -48.4 | 0 | 0 | 0 | 109.3 | ||||
| 140 | Y | 66.3 | Low | 81.1 | Confident | 127 Ų | 127 | 88.3 Ų | 88.3 | 50% | 0.498 | 44% | 0.439 | S | S | . | . | trans | -98.4 | 169 | 161.3 | -100.4 | -84.2 | 0 | 0 | 0 | 109.3 | V138 S142 | V138-Y140 HydrophobicContact CG1-CD2 3.88Å; V138-Y140 HydrophobicContact CG1-CE2 4.14Å; V138-Y140 PolarHBondContact O-N 3.36Å; Y140-S142 PolarHBondContact O-N 2.79Å | ||
| 141 | D | 61.1 | Low | 81.1 | Confident | 172 Ų | 172 | 86 Ų | 86 | 92% | 0.92 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -69 | 54.1 | 175.9 | -56.4 | -62.4 | 0 | 0 | 0 | 113 | ||
| 142 | S | 62.9 | Low | 81.1 | Confident | 60 Ų | 60 | 85.1 Ų | 85.1 | 42% | 0.42 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -140 | 134.3 | -178.6 | -62.2 | 0 | 0 | 0 | 0 | 109.2 | Y140 M144 | Y140-S142 PolarHBondContact O-N 2.79Å; S142-M144 PolarHBondContact O-N 3.36Å |
| 143 | D | 66.9 | Low | 81.1 | Confident | 174 Ų | 174 | 81.8 Ų | 81.8 | 93% | 0.93 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -66.8 | 14.5 | -176 | -54.3 | -74.4 | 0 | 0 | 0 | 115.6 | ||
| 144 | M | 71.7 | Confident | 81 | Confident | 136 Ų | 136 | 81.1 Ų | 81.1 | 67% | 0.67 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -128.1 | 118.5 | -173.6 | -70.7 | -67 | -68.4 | 0 | 0 | 110.4 | S142 R146 | S142-M144 PolarHBondContact O-N 3.36Å; M144-R146 PolarHBondContact O-N 2.8Å |
| 145 | P | 77.4 | Confident | 80.8 | Confident | 86 Ų | 86 | 77.5 Ų | 77.5 | 56% | 0.558 | 38% | 0.379 | S | S | * | . | trans | -66.5 | 127.6 | -178.8 | 27.5 | -34.2 | 0 | 0 | 0 | 110.6 | ||||
| 146 | R | 84.3 | Confident | 79.8 | Confident | 79 Ų | 79 | 75.4 Ų | 75.4 | 30% | 0.298 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 142.8 | 179.3 | -58.5 | -170.9 | 179.7 | -159.2 | -0.2 | 110.8 | V105 L107 E137 V138 M144 | V105-R146 WeakPolarHBondContact O-CD 3.39Å; V105-R146 PolarHBondContact O-NH1 2.87Å; L107-R146 WeakPolarHBondContact O-CA 3.42Å; E137-R146 CarbonylContact C-O 3.57Å; E137-R146 WeakPolarHBondContact CA-O 3.42Å; V138-R146 PolarHBondContact N-O 2.89Å; M144-R146 PolarHBondContact O-N 2.8Å |
| 147 | K | 86.1 | Confident | 78.8 | Confident | 49 Ų | 49 | 72.4 Ų | 72.4 | 21% | 0.213 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 147 | 179.5 | -56.6 | -156.2 | -176 | -141.1 | 0 | 112.2 | L107 M112 R136 E137 | L107-K147 PolarHBondContact N-O 2.73Å; L107-K147 PolarHBondContact O-N 3.44Å; M112-K147 HydrophobicContact CE-CB 4.35Å; M112-K147 WeakPolarHBondContact CE-O 3.24Å; R136-K147 CarbonylContact O-C 3.52Å; R136-K147 WeakPolarHBondContact O-CA 3.5Å; E137-K147 HydrophobicContact CG-CD 4.29Å; E137-K147 HydrophobicContact CG-CG 3.96Å; E137-K147 WeakPolarHBondContact OE1-CE 3.36Å; E137-K147 IonicContact OE1-NZ 3.25Å; E137-K147 PolarHBondContact OE1-NZ 3.29Å |
| 148 | I | 89.5 | Confident | 77.7 | Confident | 12 Ų | 12 | 73.7 Ų | 73.7 | 6% | 0.062 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.5 | 169.2 | -66.2 | -176.1 | 0 | 0 | 0 | 107.6 | I96 G97 V98 L104 E135 R136 V138 | I96-I148 VanDerWaalsContact O-CA 3.28Å; I96-I148 WeakPolarHBondContact O-CA 3.13Å; I96-I148 WeakPolarHBondContact O-CG2 3.23Å; G97-I148 WeakPolarHBondContact O-CD1 3.47Å; V98-I148 HydrophobicContact CG2-CD1 4.29Å; V98-I148 HydrophobicContact CG2-CG2 3.97Å; L104-I148 HydrophobicContact CB-CD1 3.56Å; L104-I148 HydrophobicContact CD2-CD1 3.8Å; L104-I148 HydrophobicContact CG-CD1 4.19Å; E135-I148 CarbonylContact C-O 3.58Å; E135-I148 WeakPolarHBondContact CA-O 3.2Å; R136-I148 PolarHBondContact N-O 2.8Å; R136-I148 PolarHBondContact O-N 2.84Å; V138-I148 HydrophobicContact CG2-CD1 3.62Å; V138-I148 HydrophobicContact CG2-CG1 3.97Å |
| 149 | T | 88.9 | Confident | 76.6 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.9 | -176.8 | -56.8 | 0 | 0 | 0 | 0 | 109.7 | I96 M112 L116 V132 E135 V151 | I96-T149 PolarHBondContact N-O 3.13Å; I96-T149 PolarHBondContact O-N 3.04Å; I96-T149 VanDerWaalsContact O-N 3.14Å; M112-T149 WeakPolarHBondContact CE-OG1 3.29Å; M112-T149 PolarHBondContact SD-OG1 3.49Å; M112-T149 VanDerWaalsContact SD-OG1 3.41Å; L116-T149 HydrophobicContact CD2-CG2 4.47Å; V132-T149 HydrophobicContact CG1-CG2 3.61Å; V132-T149 HydrophobicContact CG2-CG2 4.27Å; E135-T149 HydrophobicContact CG-CG2 4.07Å; T149-V151 HydrophobicContact CG2-CG2 3.71Å |
| 150 | E | 90.4 | Very high | 76 | Confident | 44 Ų | 44 | 78.2 Ų | 78.2 | 21% | 0.206 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 119.5 | 175.9 | -175.7 | 159.7 | -134.5 | 0 | 0 | 108.7 | V93 Y94 Q95 L133 R134 | V93-E150 HydrophobicContact CG1-CG 3.84Å; Y94-E150 WeakPolarHBondContact O-CA 3.24Å; Q95-E150 HydrophobicContact CG-CG 4.26Å; Q95-E150 PolarHBondContact NE2-OE1 2.89Å; L133-E150 HydrophobicContact CB-CG 4.4Å; L133-E150 HydrophobicContact CD1-CG 4.43Å; L133-E150 PolarHBondContact N-O 3.39Å; R134-E150 HydrophobicContact CB-CB 4.28Å; R134-E150 PolarHBondContact N-O 2.68Å; R134-E150 PolarHBondContact O-N 3.3Å |
| 151 | V | 89.6 | Confident | 75.6 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 123.5 | -167.9 | -172 | 0 | 0 | 0 | 0 | 110.1 | V93 Y94 I96 L116 L119 I130 V132 T149 | V93-V151 WeakPolarHBondContact CA-O 3.45Å; Y94-V151 PolarHBondContact N-O 1.93Å; Y94-V151 PolarHBondContact O-N 3.46Å; I96-V151 HydrophobicContact CD1-CG2 4.01Å; L116-V151 HydrophobicContact CD2-CG2 3.92Å; L119-V151 HydrophobicContact CD2-CB 4.08Å; L119-V151 HydrophobicContact CD2-CG1 3.66Å; L119-V151 HydrophobicContact CD2-CG2 4.35Å; I130-V151 HydrophobicContact CG2-CG1 3.38Å; V132-V151 HydrophobicContact CG2-CG2 4.45Å; T149-V151 HydrophobicContact CG2-CG2 3.71Å |
| 152 | L | 88.9 | Confident | 75.8 | Confident | 33 Ų | 33 | 79.6 Ų | 79.6 | 17% | 0.173 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 125.4 | 167.5 | -177.6 | 61.6 | 0 | 0 | 0 | 109.2 | E91 V93 I130 T131 L133 | E91-L152 HydrophobicContact CB-CD1 4.42Å; V93-L152 HydrophobicContact CG2-CD1 4.07Å; I130-L152 WeakPolarHBondContact CA-O 3.46Å; T131-L152 PolarHBondContact N-O 2.82Å; T131-L152 PolarHBondContact O-N 3.36Å; L133-L152 HydrophobicContact CD1-CB 4Å; L133-L152 HydrophobicContact CD2-CB 3.87Å; L133-L152 HydrophobicContact CD2-CD2 4.26Å; L133-L152 HydrophobicContact CG-CB 3.81Å |
| 153 | V | 88.7 | Confident | 76.1 | Confident | 0 Ų | 0 | 83.7 Ų | 83.7 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 125.2 | 164 | -176.6 | 0 | 0 | 0 | 0 | 107.1 | M81 L85 A92 Y94 L119 A123 A128 D129 I130 | M81-V153 HydrophobicContact CE-CG2 4.43Å; M81-V153 HydrophobicContact SD-CG1 4.36Å; L85-V153 HydrophobicContact CD1-CG1 4.1Å; L85-V153 HydrophobicContact CD2-CB 4.43Å; L85-V153 HydrophobicContact CD2-CG1 4.15Å; L85-V153 WeakPolarHBondContact CD2-O 3.28Å; A92-V153 PolarHBondContact N-O 3.04Å; A92-V153 PolarHBondContact O-N 2.81Å; Y94-V153 HydrophobicContact CD2-CB 4.29Å; Y94-V153 HydrophobicContact CD2-CG2 3.61Å; Y94-V153 HydrophobicContact CE2-CB 4.15Å; Y94-V153 HydrophobicContact CE2-CG2 3.78Å; L119-V153 HydrophobicContact CD1-CG2 4.48Å; L119-V153 HydrophobicContact CD2-CG2 4.29Å; L119-V153 HydrophobicContact CG-CG2 4.47Å; A123-V153 HydrophobicContact CB-CG1 4.39Å; A128-V153 HydrophobicContact CB-CG1 3.8Å; D129-V153 WeakPolarHBondContact O-CA 3.48Å; I130-V153 HydrophobicContact CG1-CG2 4.38Å |
| 154 | R | 84.6 | Confident | 76.6 | Confident | 81 Ų | 81 | 79.8 Ų | 79.8 | 31% | 0.306 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 109.2 | -175.6 | -172.2 | 174.8 | -151.7 | -153.6 | 2 | 110 | G90 E91 D129 S224 | G90-R154 CarbonylContact O-C 3.57Å; G90-R154 WeakPolarHBondContact O-CA 3.2Å; E91-R154 HydrophobicContact CG-CG 3.92Å; E91-R154 IonicContact OE1-CZ 2.64Å; E91-R154 IonicContact OE1-NE 3.19Å; E91-R154 PolarHBondContact OE1-NE 3.15Å; E91-R154 IonicContact OE1-NH2 2.98Å; E91-R154 PolarHBondContact OE1-NH2 2.94Å; D129-R154 PolarHBondContact N-O 2.82Å; D129-R154 PolarHBondContact O-N 2.83Å; R154-S224 WeakPolarHBondContact CD-O 3.21Å; R154-S224 PolarHBondContact NH1-O 2.82Å |
| 155 | K | 83.6 | Confident | 77.1 | Confident | 59 Ų | 59 | 79.4 Ų | 79.4 | 26% | 0.257 | 40% | 0.397 | S | S | . | . | trans | -86.2 | 113.9 | 168.1 | 177.6 | 163.3 | -174.5 | 79 | 0 | 109.5 | L85 G90 V126 G127 A128 P157 | L85-K155 HydrophobicContact CD1-CB 4.36Å; L85-K155 HydrophobicContact CD2-CB 4.5Å; G90-K155 PolarHBondContact O-N 3.43Å; V126-K155 HydrophobicContact CG1-CD 4.2Å; V126-K155 PolarHBondContact O-NZ 3.17Å; G127-K155 WeakPolarHBondContact O-CG 3.36Å; G127-K155 PolarHBondContact O-NZ 2.84Å; A128-K155 HydrophobicContact CB-CB 3.95Å; K155-P157 WeakPolarHBondContact O-CD 3.38Å | ||
| 156 | V | 68.3 | Low | 77.6 | Confident | 56 Ų | 56 | 85.5 Ų | 85.5 | 34% | 0.339 | 41% | 0.409 | S | S | . | . | trans | -66.3 | 122 | 159.3 | -172.7 | 0 | 0 | 0 | 0 | 107.8 | S224 | V156-S224 VanDerWaalsContact CG2-OG 3.31Å; V156-S224 WeakPolarHBondContact CG2-OG 3.47Å | ||
| 157 | P | 66.8 | Low | 77.8 | Confident | 53 Ų | 53 | 87.7 Ų | 87.7 | 34% | 0.344 | 43% | 0.431 | S | S | . | . | trans | -79.7 | 131.7 | 171.2 | 30.3 | -29.5 | 0 | 0 | 0 | 109.7 | K155 N159 Q160 | K155-P157 WeakPolarHBondContact O-CD 3.38Å; P157-N159 CarbonylContact O-C 3.58Å; P157-N159 PolarHBondContact O-N 3.36Å; P157-Q160 VanDerWaalsContact O-CA 3.28Å; P157-Q160 WeakPolarHBondContact O-CA 3.46Å; P157-Q160 PolarHBondContact O-N 2.87Å | ||
| 158 | D | 62.7 | Low | 78 | Confident | 146 Ų | 146 | 89.4 Ų | 89.4 | 78% | 0.781 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -58.3 | -34.1 | 178.7 | -45.3 | -87.9 | 0 | 0 | 0 | 111.7 | Q160 | D158-Q160 PolarHBondContact O-N 2.9Å; D158-Q160 VanDerWaalsContact O-N 3.09Å |
| 159 | N | 58.3 | Low | 77.9 | Confident | 153 Ų | 153 | 91.6 Ų | 91.6 | 82% | 0.818 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -84 | 67.5 | 168.5 | -65 | -20.4 | 0 | 0 | 0 | 109.8 | P157 Q161 | P157-N159 CarbonylContact O-C 3.58Å; P157-N159 PolarHBondContact O-N 3.36Å; N159-Q161 PolarHBondContact O-N 3.28Å |
| 160 | Q | 58.2 | Low | 78 | Confident | 122 Ų | 122 | 99 Ų | 99 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | trans | -56.7 | 104.4 | -162.9 | -171.7 | 171.5 | -23.9 | 0 | 0 | 114.4 | P157 D158 F162 | P157-Q160 VanDerWaalsContact O-CA 3.28Å; P157-Q160 WeakPolarHBondContact O-CA 3.46Å; P157-Q160 PolarHBondContact O-N 2.87Å; D158-Q160 PolarHBondContact O-N 2.9Å; D158-Q160 VanDerWaalsContact O-N 3.09Å; Q160-F162 VanDerWaalsContact C-N 3.27Å; Q160-F162 HydrophobicContact CG-CB 4.43Å; Q160-F162 HydrophobicContact CG-CD1 4.34Å; Q160-F162 WeakPolarHBondContact O-CD1 3.42Å; Q160-F162 PolarHBondContact O-N 2.81Å | ||
| 161 | Q | 59.5 | Low | 78 | Confident | 175 Ų | 175 | 99.5 Ų | 99.5 | 82% | 0.818 | 52% | 0.523 | S | S | * | . | trans | -75.7 | 82.7 | 159.6 | -70.4 | -170.7 | 6.5 | 0 | 0 | 108.9 | N159 L163 | N159-Q161 PolarHBondContact O-N 3.28Å; Q161-L163 PolarHBondContact O-N 2.89Å | ||
| 162 | F | 63.6 | Low | 78 | Confident | 153 Ų | 153 | 105.4 Ų | 105.4 | 67% | 0.671 | 56% | 0.555 | S | S | * | * | trans | -63.4 | 130.7 | 169.4 | 40.8 | -95 | 0 | 0 | 0 | 110.1 | Q160 D164 | Q160-F162 VanDerWaalsContact C-N 3.27Å; Q160-F162 HydrophobicContact CG-CB 4.43Å; Q160-F162 HydrophobicContact CG-CD1 4.34Å; Q160-F162 WeakPolarHBondContact O-CD1 3.42Å; Q160-F162 PolarHBondContact O-N 2.81Å; F162-D164 HydrophobicContact CD2-CB 4.48Å; F162-D164 PolarHBondContact O-N 2.83Å | ||
| 163 | L | 69.8 | Low | 77.7 | Confident | 146 Ų | 146 | 107.7 Ų | 107.7 | 76% | 0.764 | 57% | 0.57 | S | S | * | * | trans | -80.2 | 82.7 | 179.3 | -167.5 | 80.4 | 0 | 0 | 0 | 110.1 | Q161 L165 | Q161-L163 PolarHBondContact O-N 2.89Å; L163-L165 HydrophobicContact CD2-CD1 3.88Å; L163-L165 HydrophobicContact CD2-CD2 4.09Å; L163-L165 HydrophobicContact CD2-CG 3.9Å; L163-L165 HydrophobicContact CG-CD2 4.12Å; L163-L165 HydrophobicContact CG-CG 4.02Å; L163-L165 PolarHBondContact O-N 2.78Å | ||
| 164 | D | 77.3 | Confident | 77.4 | Confident | 92 Ų | 92 | 113.7 Ų | 113.7 | 49% | 0.492 | 60% | 0.602 | S | S | . | * | trans | -68.2 | 90.6 | 177.2 | -179.7 | 8.7 | 0 | 0 | 0 | 111.5 | F162 R166 | F162-D164 HydrophobicContact CD2-CB 4.48Å; F162-D164 PolarHBondContact O-N 2.83Å; D164-R166 PolarHBondContact O-N 3.06Å; D164-R166 VanDerWaalsContact OD1-CG 3.24Å; D164-R166 WeakPolarHBondContact OD1-CG 3.49Å; D164-R166 IonicContact OD1-NE 3.29Å; D164-R166 PolarHBondContact OD1-NE 2.92Å; D164-R166 IonicContact OD2-CZ 2.78Å; D164-R166 IonicContact OD2-NE 3.36Å; D164-R166 PolarHBondContact OD2-NE 2.89Å; D164-R166 IonicContact OD2-NH2 2.77Å; D164-R166 PolarHBondContact OD2-NH2 2.82Å | ||
| 165 | L | 82.4 | Confident | 77.5 | Confident | 128 Ų | 128 | 112.9 Ų | 112.9 | 67% | 0.67 | 61% | 0.609 | S | S | * | * | trans | -90.6 | 96.4 | 177.3 | -68.5 | -178.2 | 0 | 0 | 0 | 111.5 | L163 V167 | L163-L165 HydrophobicContact CD2-CD1 3.88Å; L163-L165 HydrophobicContact CD2-CD2 4.09Å; L163-L165 HydrophobicContact CD2-CG 3.9Å; L163-L165 HydrophobicContact CG-CD2 4.12Å; L163-L165 HydrophobicContact CG-CG 4.02Å; L163-L165 PolarHBondContact O-N 2.78Å; L165-V167 PolarHBondContact O-N 3.02Å | ||
| 166 | R | 88.9 | Confident | 77.6 | Confident | 214 Ų | 214 | 111.7 Ų | 111.7 | 81% | 0.808 | 61% | 0.614 | S | S | * | * | trans | -84.7 | 92.8 | 179.7 | -58.7 | -173.5 | -175.4 | -169.7 | 1.8 | 111.9 | D164 | D164-R166 PolarHBondContact O-N 3.06Å; D164-R166 VanDerWaalsContact OD1-CG 3.24Å; D164-R166 WeakPolarHBondContact OD1-CG 3.49Å; D164-R166 IonicContact OD1-NE 3.29Å; D164-R166 PolarHBondContact OD1-NE 2.92Å; D164-R166 IonicContact OD2-CZ 2.78Å; D164-R166 IonicContact OD2-NE 3.36Å; D164-R166 PolarHBondContact OD2-NE 2.89Å; D164-R166 IonicContact OD2-NH2 2.77Å; D164-R166 PolarHBondContact OD2-NH2 2.82Å | ||
| 167 | V | 88.1 | Confident | 78.7 | Confident | 126 Ų | 126 | 111.6 Ų | 111.6 | 76% | 0.764 | 61% | 0.609 | S | S | * | * | trans | -89.8 | 124.8 | 176.8 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | L165 | L165-V167 PolarHBondContact O-N 3.02Š| ||
| 168 | A | 90 | Very high | 79.7 | Confident | 84 Ų | 84 | 110.1 Ų | 110.1 | 69% | 0.694 | 60% | 0.599 | S | S | * | * | trans | -107.8 | 125.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 169 | V | 88.1 | Confident | 80.9 | Confident | 59 Ų | 59 | 104.5 Ų | 104.5 | 36% | 0.358 | 57% | 0.571 | S | S | . | * | trans | -98.5 | 109.4 | -176.5 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | K177 L181 | V169-K177 HydrophobicContact CG1-CB 3.84Å; V169-K177 HydrophobicContact CG1-CD 4.29Å; V169-K177 HydrophobicContact CG1-CG 3.79Å; V169-L181 HydrophobicContact CB-CD1 4.42Å; V169-L181 HydrophobicContact CG2-CD1 4.38Å; V169-L181 HydrophobicContact CG2-CD2 4.04Å; V169-L181 HydrophobicContact CG2-CG 4.27Å | ||
| 170 | L | 89.6 | Confident | 82.4 | Confident | 156 Ų | 156 | 101.8 Ų | 101.8 | 82% | 0.817 | 56% | 0.555 | S | S | * | * | trans | -113.4 | 163.2 | -179.1 | -61.3 | 175.9 | 0 | 0 | 0 | 111.7 | ||||
| 171 | G | 90.4 | Very high | 83.8 | Confident | 53 Ų | 53 | 98.8 Ų | 98.8 | 55% | 0.546 | 54% | 0.543 | S | S | . | . | trans | 148.4 | -174.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K177 | G171-K177 PolarHBondContact O-NZ 3.34Š| ||
| 172 | N | 89.4 | Confident | 85.2 | Confident | 124 Ų | 124 | 90.4 Ų | 90.4 | 66% | 0.663 | 50% | 0.504 | S | S | * | . | trans | -70.4 | 176.4 | -175 | -162.2 | 18.2 | 0 | 0 | 0 | 113.7 | S175 K177 | N172-S175 PolarHBondContact O-OG 3.02Å; N172-K177 WeakPolarHBondContact O-CE 3.39Å; N172-K177 PolarHBondContact O-NZ 2.94Å | ||
| 173 | V | 83.1 | Confident | 86.4 | Confident | 82 Ų | 82 | 85 Ų | 85 | 50% | 0.497 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | 149.6 | 161.6 | -166.9 | 0 | 0 | 0 | 0 | 109.2 | S175 | V173-S175 PolarHBondContact O-N 3.49Š|
| 174 | D | 83.5 | Confident | 87.3 | Confident | 125 Ų | 125 | 83 Ų | 83 | 67% | 0.668 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 2.9 | 177.7 | -55.2 | -41.3 | 0 | 0 | 0 | 117.4 | G176 | D174-G176 PolarHBondContact O-N 2.87Š|
| 175 | S | 86.3 | Confident | 87.7 | Confident | 64 Ų | 64 | 80.5 Ų | 80.5 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -75 | 33 | 178.1 | 81.4 | 0 | 0 | 0 | 0 | 114.8 | N172 V173 K177 | N172-S175 PolarHBondContact O-OG 3.02Å; V173-S175 PolarHBondContact O-N 3.49Å; S175-K177 PolarHBondContact O-N 3.32Å |
| 176 | G | 86.2 | Confident | 87.8 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 36% | 0.361 | 45% | 0.448 | S | S | . | . | S | Bend | trans | 66.3 | -4.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | D174 S178 T179 L180 | D174-G176 PolarHBondContact O-N 2.87Å; G176-S178 PolarHBondContact O-N 3.4Å; G176-T179 CarbonylContact O-C 3.57Å; G176-T179 WeakPolarHBondContact O-CA 3.33Å; G176-T179 VanDerWaalsContact O-CB 3.26Å; G176-T179 WeakPolarHBondContact O-CB 3.35Å; G176-T179 PolarHBondContact O-N 3.21Å; G176-L180 PolarHBondContact O-N 3.33Å |
| 177 | K | 90.2 | Very high | 87.5 | Confident | 54 Ų | 54 | 71.5 Ų | 71.5 | 24% | 0.235 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -48.8 | -51.9 | -171.2 | -61.2 | 170.7 | -72.2 | 175.3 | 0 | 114.4 | V169 G171 N172 S175 T179 L180 L181 | V169-K177 HydrophobicContact CG1-CB 3.84Å; V169-K177 HydrophobicContact CG1-CD 4.29Å; V169-K177 HydrophobicContact CG1-CG 3.79Å; G171-K177 PolarHBondContact O-NZ 3.34Å; N172-K177 WeakPolarHBondContact O-CE 3.39Å; N172-K177 PolarHBondContact O-NZ 2.94Å; S175-K177 PolarHBondContact O-N 3.32Å; K177-T179 VanDerWaalsContact C-N 3.28Å; K177-T179 PolarHBondContact O-N 2.86Å; K177-L180 PolarHBondContact O-N 3.1Å; K177-L181 PolarHBondContact O-N 3.39Å |
| 178 | S | 88.1 | Confident | 87.3 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 15% | 0.147 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -68.9 | -28.7 | 180 | -30.5 | 0 | 0 | 0 | 0 | 112 | G176 G182 L200 T212 | G176-S178 PolarHBondContact O-N 3.4Å; S178-G182 PolarHBondContact O-N 3.23Å; S178-L200 WeakPolarHBondContact O-CD1 3.45Å; S178-T212 VanDerWaalsContact OG-CG2 3.29Å; S178-T212 WeakPolarHBondContact OG-CG2 3.42Å |
| 179 | T | 88.2 | Confident | 86.9 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 18% | 0.178 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -70.8 | -46.5 | 173 | -50.5 | 0 | 0 | 0 | 0 | 110.3 | G176 K177 L181 G182 V183 D190 A196 | G176-T179 CarbonylContact O-C 3.57Å; G176-T179 WeakPolarHBondContact O-CA 3.33Å; G176-T179 VanDerWaalsContact O-CB 3.26Å; G176-T179 WeakPolarHBondContact O-CB 3.35Å; G176-T179 PolarHBondContact O-N 3.21Å; K177-T179 VanDerWaalsContact C-N 3.28Å; K177-T179 PolarHBondContact O-N 2.86Å; T179-L181 PolarHBondContact O-N 3.14Å; T179-G182 PolarHBondContact O-N 3.11Å; T179-V183 HydrophobicContact CG2-CG2 4.46Å; T179-V183 VanDerWaalsContact O-CG2 3.27Å; T179-V183 WeakPolarHBondContact O-CG2 3.44Å; T179-V183 PolarHBondContact O-N 2.95Å; T179-D190 HydrophobicContact CG2-CB 3.39Å; T179-D190 VanDerWaalsContact CG2-CG 3.42Å; T179-D190 WeakPolarHBondContact CG2-OD2 3.41Å; T179-A196 HydrophobicContact CG2-CB 4.36Å |
| 180 | L | 88.6 | Confident | 86.7 | Confident | 95 Ų | 95 | 71.3 Ų | 71.3 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 177.2 | 179 | 63.4 | 0 | 0 | 0 | 111.8 | G176 K177 V183 L184 | G176-L180 PolarHBondContact O-N 3.33Å; K177-L180 PolarHBondContact O-N 3.1Å; L180-V183 PolarHBondContact O-N 3.18Å; L180-L184 HydrophobicContact CD1-CD1 4.03Å; L180-L184 HydrophobicContact CD1-CG 4.18Å; L180-L184 HydrophobicContact CG-CD1 3.96Å; L180-L184 HydrophobicContact CG-CG 4.49Å; L180-L184 WeakPolarHBondContact O-CB 3.28Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 3.5Å |
| 181 | L | 89.3 | Confident | 86.4 | Confident | 59 Ų | 59 | 68 Ų | 68 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 175 | -77.8 | 168.5 | 0 | 0 | 0 | 111.7 | V169 K177 T179 V183 L184 T185 L200 | V169-L181 HydrophobicContact CB-CD1 4.42Å; V169-L181 HydrophobicContact CG2-CD1 4.38Å; V169-L181 HydrophobicContact CG2-CD2 4.04Å; V169-L181 HydrophobicContact CG2-CG 4.27Å; K177-L181 PolarHBondContact O-N 3.39Å; T179-L181 PolarHBondContact O-N 3.14Å; L181-V183 PolarHBondContact O-N 3.13Å; L181-L184 PolarHBondContact O-N 2.86Å; L181-T185 VanDerWaalsContact O-CG2 3.29Å; L181-T185 WeakPolarHBondContact O-CG2 3.07Å; L181-T185 PolarHBondContact O-N 3.09Å; L181-T185 PolarHBondContact O-OG1 3.12Å; L181-T185 VanDerWaalsContact O-OG1 3.1Å; L181-L200 HydrophobicContact CB-CD1 3.62Å |
| 182 | G | 88.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.1 | -38 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S178 T179 Q186 | S178-G182 PolarHBondContact O-N 3.23Å; T179-G182 PolarHBondContact O-N 3.11Å; G182-Q186 WeakPolarHBondContact O-CB 3.33Å; G182-Q186 WeakPolarHBondContact O-CG 3.35Å; G182-Q186 PolarHBondContact O-N 3.04Å; G182-Q186 VanDerWaalsContact O-N 3.11Å |
| 183 | V | 89.3 | Confident | 85.3 | Confident | 39 Ų | 39 | 73.4 Ų | 73.4 | 24% | 0.236 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | T179 L180 L181 G187 E188 D190 A196 | T179-V183 HydrophobicContact CG2-CG2 4.46Å; T179-V183 VanDerWaalsContact O-CG2 3.27Å; T179-V183 WeakPolarHBondContact O-CG2 3.44Å; T179-V183 PolarHBondContact O-N 2.95Å; L180-V183 PolarHBondContact O-N 3.18Å; L181-V183 PolarHBondContact O-N 3.13Å; V183-G187 WeakPolarHBondContact O-CA 3.43Å; V183-G187 PolarHBondContact O-N 2.85Å; V183-E188 WeakPolarHBondContact CA-O 3.36Å; V183-E188 WeakPolarHBondContact CG2-O 3.45Å; V183-D190 HydrophobicContact CG2-CB 4.05Å; V183-A196 HydrophobicContact CG2-CB 3.86Å |
| 184 | L | 88 | Confident | 85 | Confident | 103 Ų | 103 | 69.7 Ų | 69.7 | 54% | 0.539 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.8 | -33.9 | -179.4 | -72.3 | 172.1 | 0 | 0 | 0 | 113.3 | L180 L181 | L180-L184 HydrophobicContact CD1-CD1 4.03Å; L180-L184 HydrophobicContact CD1-CG 4.18Å; L180-L184 HydrophobicContact CG-CD1 3.96Å; L180-L184 HydrophobicContact CG-CG 4.49Å; L180-L184 WeakPolarHBondContact O-CB 3.28Å; L180-L184 VanDerWaalsContact O-CG 3.29Å; L180-L184 WeakPolarHBondContact O-CG 3.46Å; L180-L184 PolarHBondContact O-N 3.5Å; L181-L184 PolarHBondContact O-N 2.86Å |
| 185 | T | 86.5 | Confident | 84.9 | Confident | 40 Ų | 40 | 69.1 Ų | 69.1 | 25% | 0.245 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -90.9 | -16.7 | -175 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | L181 E218 L220 | L181-T185 VanDerWaalsContact O-CG2 3.29Å; L181-T185 WeakPolarHBondContact O-CG2 3.07Å; L181-T185 PolarHBondContact O-N 3.09Å; L181-T185 PolarHBondContact O-OG1 3.12Å; L181-T185 VanDerWaalsContact O-OG1 3.1Å; T185-E218 HydrophobicContact CG2-CB 3.5Å; T185-E218 VanDerWaalsContact CG2-CB 3.5Å; T185-E218 HydrophobicContact CG2-CG 4Å; T185-L220 HydrophobicContact CG2-CD1 4.33Å; T185-L220 HydrophobicContact CG2-CG 4.32Å |
| 186 | Q | 83.9 | Confident | 84.9 | Confident | 84 Ų | 84 | 66.1 Ų | 66.1 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -117.9 | -13 | -178.3 | -52.6 | -167.8 | -63.1 | 0 | 0 | 114.1 | G182 E188 N199 | G182-Q186 WeakPolarHBondContact O-CB 3.33Å; G182-Q186 WeakPolarHBondContact O-CG 3.35Å; G182-Q186 PolarHBondContact O-N 3.04Å; G182-Q186 VanDerWaalsContact O-N 3.11Å; Q186-E188 PolarHBondContact O-N 2.88Å; Q186-E188 VanDerWaalsContact O-N 3.09Å; Q186-N199 PolarHBondContact NE2-ND2 3Å; Q186-N199 VanDerWaalsContact NE2-ND2 3.14Å; Q186-N199 PolarHBondContact OE1-ND2 3.48Å |
| 187 | G | 82.8 | Confident | 84.8 | Confident | 69 Ų | 69 | 67.6 Ų | 67.6 | 71% | 0.711 | 36% | 0.362 | S | S | * | . | trans | 70.9 | -6.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | V183 | V183-G187 WeakPolarHBondContact O-CA 3.43Å; V183-G187 PolarHBondContact O-N 2.85Å | ||
| 188 | E | 84.3 | Confident | 84.6 | Confident | 84 Ų | 84 | 68.8 Ų | 68.8 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 128.4 | 174.9 | -67.2 | -152.6 | 138.5 | 0 | 0 | 111.7 | V183 Q186 R195 | V183-E188 WeakPolarHBondContact CA-O 3.36Å; V183-E188 WeakPolarHBondContact CG2-O 3.45Å; Q186-E188 PolarHBondContact O-N 2.88Å; Q186-E188 VanDerWaalsContact O-N 3.09Å; E188-R195 IonicContact OE1-CZ 4Å; E188-R195 IonicContact OE1-NH2 2.92Å; E188-R195 PolarHBondContact OE1-NH2 3.36Å; E188-R195 IonicContact OE2-CZ 3.33Å; E188-R195 IonicContact OE2-NE 3.16Å; E188-R195 PolarHBondContact OE2-NE 2.76Å; E188-R195 VanDerWaalsContact OE2-NE 3.16Å; E188-R195 IonicContact OE2-NH2 2.71Å; E188-R195 PolarHBondContact OE2-NH2 3.1Å |
| 189 | L | 82 | Confident | 84.3 | Confident | 151 Ų | 151 | 72.3 Ų | 72.3 | 79% | 0.791 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 130.4 | 175.6 | -148.6 | 138.8 | 0 | 0 | 0 | 110.5 | ||
| 190 | D | 83.1 | Confident | 84.2 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 16% | 0.16 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 140.5 | -175 | -169.7 | 57.5 | 0 | 0 | 0 | 112.7 | T179 V183 G192 G194 R195 A196 | T179-D190 HydrophobicContact CG2-CB 3.39Å; T179-D190 VanDerWaalsContact CG2-CG 3.42Å; T179-D190 WeakPolarHBondContact CG2-OD2 3.41Å; V183-D190 HydrophobicContact CG2-CB 4.05Å; D190-G192 PolarHBondContact O-N 2.84Å; D190-G192 VanDerWaalsContact O-N 3.12Å; D190-G192 PolarHBondContact OD2-N 3.04Å; D190-G192 VanDerWaalsContact OD2-N 3.16Å; D190-G194 VanDerWaalsContact OD1-C 3.31Å; D190-G194 VanDerWaalsContact OD1-CA 3.29Å; D190-G194 WeakPolarHBondContact OD1-CA 3.4Å; D190-G194 PolarHBondContact OD1-N 3.09Å; D190-G194 WeakPolarHBondContact OD2-CA 3.5Å; D190-G194 PolarHBondContact OD2-N 2.98Å; D190-R195 WeakPolarHBondContact OD1-CA 3.42Å; D190-R195 PolarHBondContact OD1-N 2.97Å; D190-A196 HydrophobicContact CB-CB 4.01Å; D190-A196 PolarHBondContact OD1-N 3.13Å |
| 191 | N | 83.1 | Confident | 84.2 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | trans | -81.7 | 19.5 | -178.7 | 68.2 | -2.9 | 0 | 0 | 0 | 114.1 | R193 | N191-R193 PolarHBondContact O-N 3.21Å; N191-R193 VanDerWaalsContact O-N 3.13Å; N191-R193 WeakPolarHBondContact OD1-CB 3.38Å; N191-R193 PolarHBondContact OD1-N 3.21Å; N191-R193 VanDerWaalsContact OD1-N 3.11Å | ||
| 192 | G | 77.9 | Confident | 84 | Confident | 73 Ų | 73 | 71 Ų | 71 | 75% | 0.753 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 69.1 | 1.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D190 | D190-G192 PolarHBondContact O-N 2.84Å; D190-G192 VanDerWaalsContact O-N 3.12Å; D190-G192 PolarHBondContact OD2-N 3.04Å; D190-G192 VanDerWaalsContact OD2-N 3.16Å |
| 193 | R | 77.8 | Confident | 84 | Confident | 217 Ų | 217 | 75.1 Ų | 75.1 | 82% | 0.819 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -109.4 | 2.7 | 175.7 | -58.9 | -175.6 | 178 | -176.8 | -0.9 | 112.4 | N191 | N191-R193 PolarHBondContact O-N 3.21Å; N191-R193 VanDerWaalsContact O-N 3.13Å; N191-R193 WeakPolarHBondContact OD1-CB 3.38Å; N191-R193 PolarHBondContact OD1-N 3.21Å; N191-R193 VanDerWaalsContact OD1-N 3.11Å |
| 194 | G | 77.1 | Confident | 84 | Confident | 5 Ų | 5 | 78.9 Ų | 78.9 | 5% | 0.052 | 41% | 0.407 | C | S | . | . | trans | 71.8 | 44 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D190 R197 | D190-G194 VanDerWaalsContact OD1-C 3.31Å; D190-G194 VanDerWaalsContact OD1-CA 3.29Å; D190-G194 WeakPolarHBondContact OD1-CA 3.4Å; D190-G194 PolarHBondContact OD1-N 3.09Å; D190-G194 WeakPolarHBondContact OD2-CA 3.5Å; D190-G194 PolarHBondContact OD2-N 2.98Å; G194-R197 WeakPolarHBondContact O-CG 3.38Å | ||
| 195 | R | 83.1 | Confident | 84.1 | Confident | 113 Ų | 113 | 79.3 Ų | 79.3 | 43% | 0.426 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -62.3 | -46.1 | 165.6 | -175.7 | 174.1 | 97.9 | -174.9 | 5.6 | 110.4 | E188 D190 R197 L198 | E188-R195 IonicContact OE1-CZ 4Å; E188-R195 IonicContact OE1-NH2 2.92Å; E188-R195 PolarHBondContact OE1-NH2 3.36Å; E188-R195 IonicContact OE2-CZ 3.33Å; E188-R195 IonicContact OE2-NE 3.16Å; E188-R195 PolarHBondContact OE2-NE 2.76Å; E188-R195 VanDerWaalsContact OE2-NE 3.16Å; E188-R195 IonicContact OE2-NH2 2.71Å; E188-R195 PolarHBondContact OE2-NH2 3.1Å; D190-R195 WeakPolarHBondContact OD1-CA 3.42Å; D190-R195 PolarHBondContact OD1-N 2.97Å; R195-R197 VanDerWaalsContact C-N 3.28Å; R195-R197 PolarHBondContact O-N 3.39Å; R195-L198 WeakPolarHBondContact O-CB 3.39Å; R195-L198 PolarHBondContact O-N 3.12Å; R195-L198 VanDerWaalsContact O-N 3.08Å |
| 196 | A | 85.1 | Confident | 84.2 | Confident | 1 Ų | 1 | 77.4 Ų | 77.4 | 1% | 0.008 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -59.7 | -36.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T179 V183 D190 L198 | T179-A196 HydrophobicContact CG2-CB 4.36Å; V183-A196 HydrophobicContact CG2-CB 3.86Å; D190-A196 HydrophobicContact CB-CB 4.01Å; D190-A196 PolarHBondContact OD1-N 3.13Å; A196-L198 VanDerWaalsContact C-N 3.35Å; A196-L198 PolarHBondContact O-N 2.84Å |
| 197 | R | 84.9 | Confident | 84.4 | Confident | 65 Ų | 65 | 77.8 Ų | 77.8 | 25% | 0.245 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -74.6 | -17 | 178.3 | 65 | 170.9 | -175.4 | -178.5 | 2.5 | 114.6 | G194 R195 N199 L200 F201 G210 | G194-R197 WeakPolarHBondContact O-CG 3.38Å; R195-R197 VanDerWaalsContact C-N 3.28Å; R195-R197 PolarHBondContact O-N 3.39Å; R197-N199 PolarHBondContact O-N 3.35Å; R197-L200 PolarHBondContact O-N 3.34Å; R197-L200 VanDerWaalsContact O-N 3.14Å; R197-F201 HydrophobicContact CG-CE2 4.46Å; R197-F201 HydrophobicContact CG-CZ 4.22Å; R197-G210 VanDerWaalsContact CZ-O 3.27Å; R197-G210 PolarHBondContact NH1-O 2.99Å |
| 198 | L | 85.5 | Confident | 84.6 | Confident | 79 Ų | 79 | 81.5 Ų | 81.5 | 41% | 0.414 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -60.8 | -35.8 | 179.4 | -69.6 | 175.2 | 0 | 0 | 0 | 111.4 | R195 A196 L200 F201 | R195-L198 WeakPolarHBondContact O-CB 3.39Å; R195-L198 PolarHBondContact O-N 3.12Å; R195-L198 VanDerWaalsContact O-N 3.08Å; A196-L198 VanDerWaalsContact C-N 3.35Å; A196-L198 PolarHBondContact O-N 2.84Å; L198-L200 PolarHBondContact O-N 3.45Å; L198-F201 HydrophobicContact CD2-CD2 3.95Å; L198-F201 HydrophobicContact CD2-CE2 3.97Å; L198-F201 WeakPolarHBondContact O-CB 3.37Å; L198-F201 PolarHBondContact O-N 3.03Å |
| 199 | N | 82.3 | Confident | 84.7 | Confident | 95 Ų | 95 | 80.8 Ų | 80.8 | 51% | 0.508 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -74.3 | -12.2 | -178.5 | -61.4 | -36.9 | 0 | 0 | 0 | 113.2 | Q186 R197 | Q186-N199 PolarHBondContact NE2-ND2 3Å; Q186-N199 VanDerWaalsContact NE2-ND2 3.14Å; Q186-N199 PolarHBondContact OE1-ND2 3.48Å; R197-N199 PolarHBondContact O-N 3.35Å |
| 200 | L | 85 | Confident | 84.8 | Confident | 7 Ų | 7 | 74.3 Ų | 74.3 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -91.3 | -13.6 | 171.8 | -56.3 | -173.8 | 0 | 0 | 0 | 113.3 | S178 L181 R197 L198 S216 E218 | S178-L200 WeakPolarHBondContact O-CD1 3.45Å; L181-L200 HydrophobicContact CB-CD1 3.62Å; R197-L200 PolarHBondContact O-N 3.34Å; R197-L200 VanDerWaalsContact O-N 3.14Å; L198-L200 PolarHBondContact O-N 3.45Å; L200-S216 PolarHBondContact O-OG 3.5Å; L200-E218 HydrophobicContact CD2-CG 3.65Å |
| 201 | F | 87.9 | Confident | 84.9 | Confident | 18 Ų | 18 | 80.1 Ų | 80.1 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | trans | -77.6 | 129.1 | 179.1 | -66 | -30.5 | 0 | 0 | 0 | 110.3 | R197 L198 E206 I207 T212 | R197-F201 HydrophobicContact CG-CE2 4.46Å; R197-F201 HydrophobicContact CG-CZ 4.22Å; L198-F201 HydrophobicContact CD2-CD2 3.95Å; L198-F201 HydrophobicContact CD2-CE2 3.97Å; L198-F201 WeakPolarHBondContact O-CB 3.37Å; L198-F201 PolarHBondContact O-N 3.03Å; F201-E206 HydrophobicContact CB-CB 3.95Å; F201-E206 HydrophobicContact CD1-CB 3.71Å; F201-E206 HydrophobicContact CD2-CB 4.41Å; F201-E206 HydrophobicContact CE1-CB 4.28Å; F201-E206 HydrophobicContact CG-CB 3.79Å; F201-I207 HydrophobicContact CB-CG1 3.87Å; F201-I207 HydrophobicContact CD2-CG1 4.02Å; F201-I207 HydrophobicContact CG-CG1 4.4Å; F201-T212 HydrophobicContact CD1-CG2 4.04Å; F201-T212 HydrophobicContact CE1-CG2 3.7Å | ||
| 202 | R | 85.9 | Confident | 85.1 | Confident | 132 Ų | 132 | 79 Ų | 79 | 50% | 0.498 | 39% | 0.387 | S | S | . | . | trans | -108.7 | -14 | -175.7 | -63.3 | 179.3 | -180 | -169.6 | -1.7 | 112.4 | E206 S216 F217 E218 | R202-E206 PolarHBondContact N-OE2 2.86Å; R202-S216 PolarHBondContact NE-OG 2.96Å; R202-F217 PolarHBondContact NH2-O 3.36Å; R202-E218 IonicContact NH2-OE1 3.71Å | ||
| 203 | H | 89.1 | Confident | 85.4 | Confident | 86 Ų | 86 | 79 Ų | 79 | 40% | 0.398 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -128.2 | 147.8 | -179 | -54.4 | -58.7 | 0 | 0 | 0 | 113.4 | H205 E206 I207 | H203-H205 VanDerWaalsContact C-N 3.26Å; H203-H205 WeakPolarHBondContact CB-CE1 3.37Å; H203-H205 AromaticContact CD2-CE1 3.34Å; H203-H205 PolarHBondContact CD2-CE1 2.98Å; H203-H205 AromaticContact CG-CE1 3.17Å; H203-H205 AromaticContact ND1-CE1 3.98Å; H203-H205 PolarHBondContact O-N 2.95Å; H203-E206 HydrophobicContact CB-CG 4.18Å; H203-E206 IonicContact CD2-OE2 2.8Å; H203-E206 PolarHBondContact N-OE2 3.28Å; H203-E206 WeakPolarHBondContact O-CB 3.41Å; H203-E206 PolarHBondContact O-N 3.39Å; H203-I207 PolarHBondContact O-N 3.42Å |
| 204 | L | 88.3 | Confident | 85.6 | Confident | 118 Ų | 118 | 70.2 Ų | 70.2 | 62% | 0.618 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -57.3 | -36.9 | -177.5 | -177.7 | 62.5 | 0 | 0 | 0 | 113 | E206 I207 Q208 | L204-E206 VanDerWaalsContact C-N 3.27Å; L204-E206 PolarHBondContact O-N 3.02Å; L204-I207 PolarHBondContact O-N 3.32Å; L204-Q208 HydrophobicContact CD1-CG 4.4Å; L204-Q208 HydrophobicContact CG-CG 4.41Å; L204-Q208 WeakPolarHBondContact O-CB 3.4Å; L204-Q208 VanDerWaalsContact O-CG 3.32Å; L204-Q208 WeakPolarHBondContact O-CG 3.48Å; L204-Q208 PolarHBondContact O-N 2.81Å |
| 205 | H | 89.7 | Confident | 86 | Confident | 112 Ų | 112 | 76.3 Ų | 76.3 | 52% | 0.519 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69 | -22.7 | 177.8 | 62 | -95.6 | 0 | 0 | 0 | 113.3 | H203 S209 S213 | H203-H205 VanDerWaalsContact C-N 3.26Å; H203-H205 WeakPolarHBondContact CB-CE1 3.37Å; H203-H205 AromaticContact CD2-CE1 3.34Å; H203-H205 PolarHBondContact CD2-CE1 2.98Å; H203-H205 AromaticContact CG-CE1 3.17Å; H203-H205 AromaticContact ND1-CE1 3.98Å; H203-H205 PolarHBondContact O-N 2.95Å; H205-S209 WeakPolarHBondContact O-CB 3.46Å; H205-S209 PolarHBondContact O-N 3.48Å; H205-S209 PolarHBondContact O-OG 3.34Å; H205-S213 WeakPolarHBondContact NE2-CB 3.44Å; H205-S213 PolarHBondContact NE2-OG 3.19Å |
| 206 | E | 90 | Very high | 85.9 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -74.4 | -43.9 | 173.5 | -57.3 | -178.4 | 131.8 | 0 | 0 | 110.6 | F201 R202 H203 L204 S209 G210 R211 S213 S214 | F201-E206 HydrophobicContact CB-CB 3.95Å; F201-E206 HydrophobicContact CD1-CB 3.71Å; F201-E206 HydrophobicContact CD2-CB 4.41Å; F201-E206 HydrophobicContact CE1-CB 4.28Å; F201-E206 HydrophobicContact CG-CB 3.79Å; R202-E206 PolarHBondContact N-OE2 2.86Å; H203-E206 HydrophobicContact CB-CG 4.18Å; H203-E206 IonicContact CD2-OE2 2.8Å; H203-E206 PolarHBondContact N-OE2 3.28Å; H203-E206 WeakPolarHBondContact O-CB 3.41Å; H203-E206 PolarHBondContact O-N 3.39Å; L204-E206 VanDerWaalsContact C-N 3.27Å; L204-E206 PolarHBondContact O-N 3.02Å; E206-S209 PolarHBondContact O-N 2.92Å; E206-G210 VanDerWaalsContact O-CA 3.31Å; E206-G210 WeakPolarHBondContact O-CA 3.39Å; E206-G210 PolarHBondContact O-N 3.47Å; E206-R211 WeakPolarHBondContact CA-O 3.31Å; E206-R211 WeakPolarHBondContact CB-O 3.3Å; E206-R211 PolarHBondContact O-N 2.95Å; E206-S213 VanDerWaalsContact CD-OG 3.31Å; E206-S213 VanDerWaalsContact CG-OG 3.23Å; E206-S213 WeakPolarHBondContact CG-OG 3.36Å; E206-S213 WeakPolarHBondContact OE1-CA 3.48Å; E206-S213 PolarHBondContact OE1-N 3.01Å; E206-S213 PolarHBondContact OE1-OG 3.13Å; E206-S214 WeakPolarHBondContact OE1-CB 3.4Å; E206-S214 PolarHBondContact OE1-N 3.06Å; E206-S214 PolarHBondContact OE1-OG 3.36Å; E206-S214 PolarHBondContact OE2-OG 2.94Å |
| 207 | I | 87.4 | Confident | 86 | Confident | 92 Ų | 92 | 80 Ų | 80 | 47% | 0.472 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 175.2 | -57.9 | 170.1 | 0 | 0 | 0 | 110.3 | F201 H203 L204 | F201-I207 HydrophobicContact CB-CG1 3.87Å; F201-I207 HydrophobicContact CD2-CG1 4.02Å; F201-I207 HydrophobicContact CG-CG1 4.4Å; H203-I207 PolarHBondContact O-N 3.42Å; L204-I207 PolarHBondContact O-N 3.32Å |
| 208 | Q | 87.4 | Confident | 86 | Confident | 146 Ų | 146 | 80.8 Ų | 80.8 | 68% | 0.682 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -70 | -38.6 | 179.4 | -72.8 | 174.3 | -14.4 | 0 | 0 | 113.6 | L204 | L204-Q208 HydrophobicContact CD1-CG 4.4Å; L204-Q208 HydrophobicContact CG-CG 4.41Å; L204-Q208 WeakPolarHBondContact O-CB 3.4Å; L204-Q208 VanDerWaalsContact O-CG 3.32Å; L204-Q208 WeakPolarHBondContact O-CG 3.48Å; L204-Q208 PolarHBondContact O-N 2.81Å |
| 209 | S | 85.7 | Confident | 86.1 | Confident | 69 Ų | 69 | 85 Ų | 85 | 48% | 0.483 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -89 | -12.8 | -179.4 | 65.4 | 0 | 0 | 0 | 0 | 114.2 | H205 E206 R211 | H205-S209 WeakPolarHBondContact O-CB 3.46Å; H205-S209 PolarHBondContact O-N 3.48Å; H205-S209 PolarHBondContact O-OG 3.34Å; E206-S209 PolarHBondContact O-N 2.92Å; S209-R211 PolarHBondContact O-N 2.73Å; S209-R211 PolarHBondContact OG-N 3.42Å |
| 210 | G | 84.2 | Confident | 86.3 | Confident | 16 Ų | 16 | 84.9 Ų | 84.9 | 17% | 0.165 | 43% | 0.427 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 16.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R197 E206 | R197-G210 VanDerWaalsContact CZ-O 3.27Å; R197-G210 PolarHBondContact NH1-O 2.99Å; E206-G210 VanDerWaalsContact O-CA 3.31Å; E206-G210 WeakPolarHBondContact O-CA 3.39Å; E206-G210 PolarHBondContact O-N 3.47Å |
| 211 | R | 85.6 | Confident | 86.2 | Confident | 151 Ų | 151 | 87.8 Ų | 87.8 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | trans | -121.8 | 132.3 | -174.3 | -69.7 | 176.6 | 171.6 | 169.3 | -1.5 | 111.4 | E206 S209 S213 | E206-R211 WeakPolarHBondContact CA-O 3.31Å; E206-R211 WeakPolarHBondContact CB-O 3.3Å; E206-R211 PolarHBondContact O-N 2.95Å; S209-R211 PolarHBondContact O-N 2.73Å; S209-R211 PolarHBondContact OG-N 3.42Å; R211-S213 PolarHBondContact O-N 2.86Å | ||
| 212 | T | 86.2 | Confident | 85.9 | Confident | 64 Ų | 64 | 94 Ų | 94 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | trans | -66.5 | 121.1 | 167.2 | 45.3 | 0 | 0 | 0 | 0 | 109.8 | S178 F201 | S178-T212 VanDerWaalsContact OG-CG2 3.29Å; S178-T212 WeakPolarHBondContact OG-CG2 3.42Å; F201-T212 HydrophobicContact CD1-CG2 4.04Å; F201-T212 HydrophobicContact CE1-CG2 3.7Å | ||
| 213 | S | 84.1 | Confident | 85.4 | Confident | 72 Ų | 72 | 91 Ų | 91 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | trans | -105.9 | -24.1 | 172.1 | 69.2 | 0 | 0 | 0 | 0 | 112.4 | H205 E206 R211 | H205-S213 WeakPolarHBondContact NE2-CB 3.44Å; H205-S213 PolarHBondContact NE2-OG 3.19Å; E206-S213 VanDerWaalsContact CD-OG 3.31Å; E206-S213 VanDerWaalsContact CG-OG 3.23Å; E206-S213 WeakPolarHBondContact CG-OG 3.36Å; E206-S213 WeakPolarHBondContact OE1-CA 3.48Å; E206-S213 PolarHBondContact OE1-N 3.01Å; E206-S213 PolarHBondContact OE1-OG 3.13Å; R211-S213 PolarHBondContact O-N 2.86Å | ||
| 214 | S | 83.8 | Confident | 84.3 | Confident | 33 Ų | 33 | 89 Ų | 89 | 23% | 0.231 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -103 | 161.6 | -177.8 | 61.6 | 0 | 0 | 0 | 0 | 111.8 | E206 | E206-S214 WeakPolarHBondContact OE1-CB 3.4Å; E206-S214 PolarHBondContact OE1-N 3.06Å; E206-S214 PolarHBondContact OE1-OG 3.36Å; E206-S214 PolarHBondContact OE2-OG 2.94Å |
| 215 | I | 85.5 | Confident | 83.2 | Confident | 133 Ų | 133 | 90.5 Ų | 90.5 | 68% | 0.682 | 48% | 0.478 | S | S | * | . | trans | -91.1 | 111.5 | 171 | -59 | 174.2 | 0 | 0 | 0 | 107.6 | F217 | I215-F217 HydrophobicContact CG2-CD2 4.36Å; I215-F217 HydrophobicContact CG2-CE1 4.28Å; I215-F217 HydrophobicContact CG2-CE2 3.77Å; I215-F217 HydrophobicContact CG2-CZ 3.73Å | ||
| 216 | S | 80.8 | Confident | 82.2 | Confident | 32 Ų | 32 | 87.6 Ų | 87.6 | 22% | 0.224 | 48% | 0.478 | C | S | . | . | trans | -93.3 | 136.5 | 170.9 | -68.8 | 0 | 0 | 0 | 0 | 110.4 | L200 R202 | L200-S216 PolarHBondContact O-OG 3.5Å; R202-S216 PolarHBondContact NE-OG 2.96Å | ||
| 217 | F | 86 | Confident | 81 | Confident | 160 Ų | 160 | 95.3 Ų | 95.3 | 70% | 0.702 | 51% | 0.514 | S | S | * | . | trans | -113.8 | 128.6 | 171.8 | -63.3 | -82.8 | 0 | 0 | 0 | 107.7 | R202 I215 | R202-F217 PolarHBondContact NH2-O 3.36Å; I215-F217 HydrophobicContact CG2-CD2 4.36Å; I215-F217 HydrophobicContact CG2-CE1 4.28Å; I215-F217 HydrophobicContact CG2-CE2 3.77Å; I215-F217 HydrophobicContact CG2-CZ 3.73Å | ||
| 218 | E | 86.3 | Confident | 80.6 | Confident | 82 Ų | 82 | 95.5 Ų | 95.5 | 38% | 0.383 | 52% | 0.516 | S | S | . | . | trans | -122.1 | 146.6 | 177.4 | -58 | -56.4 | 136 | 0 | 0 | 108.5 | T185 L200 R202 | T185-E218 HydrophobicContact CG2-CB 3.5Å; T185-E218 VanDerWaalsContact CG2-CB 3.5Å; T185-E218 HydrophobicContact CG2-CG 4Å; L200-E218 HydrophobicContact CD2-CG 3.65Å; R202-E218 IonicContact NH2-OE1 3.71Å | ||
| 219 | I | 87.1 | Confident | 80.3 | Confident | 166 Ų | 166 | 92.8 Ų | 92.8 | 85% | 0.851 | 51% | 0.507 | S | S | * | . | trans | -116.6 | 119.2 | -174.5 | -59.6 | 176.7 | 0 | 0 | 0 | 108.9 | ||||
| 220 | L | 86.1 | Confident | 80 | Confident | 93 Ų | 93 | 94.2 Ų | 94.2 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | trans | -104 | 114.3 | 171 | -77.3 | 162 | 0 | 0 | 0 | 108.4 | T185 F222 | T185-L220 HydrophobicContact CG2-CD1 4.33Å; T185-L220 HydrophobicContact CG2-CG 4.32Å; L220-F222 HydrophobicContact CB-CE2 4.09Å; L220-F222 HydrophobicContact CB-CZ 4.4Å | ||
| 221 | G | 83.6 | Confident | 79.7 | Confident | 69 Ų | 69 | 98.8 Ų | 98.8 | 71% | 0.711 | 53% | 0.529 | S | S | * | . | trans | -105.4 | 123.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 222 | F | 80.2 | Confident | 79.4 | Confident | 147 Ų | 147 | 95.5 Ų | 95.5 | 65% | 0.645 | 53% | 0.527 | S | S | * | . | trans | -106.6 | 141.1 | 174.9 | -60.7 | -82.3 | 0 | 0 | 0 | 110.2 | L220 | L220-F222 HydrophobicContact CB-CE2 4.09Å; L220-F222 HydrophobicContact CB-CZ 4.4Å | ||
| 223 | N | 75.5 | Confident | 78.9 | Confident | 69 Ų | 69 | 97.6 Ų | 97.6 | 37% | 0.369 | 54% | 0.535 | S | S | . | . | trans | -78.4 | 179.9 | 177.9 | 78.8 | 20.5 | 0 | 0 | 0 | 112.2 | K225 G226 E227 | N223-K225 PolarHBondContact O-N 2.91Å; N223-K225 VanDerWaalsContact O-N 3.08Å; N223-K225 VanDerWaalsContact OD1-CA 3.28Å; N223-K225 WeakPolarHBondContact OD1-CA 3.42Å; N223-K225 VanDerWaalsContact OD1-CB 3.27Å; N223-K225 WeakPolarHBondContact OD1-CB 3.41Å; N223-K225 PolarHBondContact OD1-N 3.34Å; N223-G226 PolarHBondContact O-N 2.95Å; N223-G226 VanDerWaalsContact O-N 3.12Å; N223-G226 PolarHBondContact OD1-N 2.64Å; N223-E227 WeakPolarHBondContact CB-O 3.47Å; N223-E227 PolarHBondContact N-O 3.27Å; N223-E227 PolarHBondContact ND2-O 3.27Å; N223-E227 PolarHBondContact ND2-OE2 3.14Å; N223-E227 PolarHBondContact OD1-N 2.62Å; N223-E227 VanDerWaalsContact OD1-N 3.17Å; N223-E227 PolarHBondContact OD1-O 3.38Å | ||
| 224 | S | 66.9 | Low | 78.5 | Confident | 45 Ų | 45 | 99.4 Ų | 99.4 | 32% | 0.315 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.5 | 179.6 | -53.6 | 0 | 0 | 0 | 0 | 114.4 | R154 V156 | R154-S224 WeakPolarHBondContact CD-O 3.21Å; R154-S224 PolarHBondContact NH1-O 2.82Å; V156-S224 VanDerWaalsContact CG2-OG 3.31Å; V156-S224 WeakPolarHBondContact CG2-OG 3.47Å |
| 225 | K | 65.7 | Low | 78.1 | Confident | 150 Ų | 150 | 104.5 Ų | 104.5 | 65% | 0.652 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -11.6 | -176.8 | -52.8 | 175.7 | -177.7 | 174.9 | 0 | 113.5 | N223 | N223-K225 PolarHBondContact O-N 2.91Å; N223-K225 VanDerWaalsContact O-N 3.08Å; N223-K225 VanDerWaalsContact OD1-CA 3.28Å; N223-K225 WeakPolarHBondContact OD1-CA 3.42Å; N223-K225 VanDerWaalsContact OD1-CB 3.27Å; N223-K225 WeakPolarHBondContact OD1-CB 3.41Å; N223-K225 PolarHBondContact OD1-N 3.34Å |
| 226 | G | 67.7 | Low | 77.5 | Confident | 50 Ų | 50 | 102.2 Ų | 102.2 | 52% | 0.515 | 55% | 0.551 | S | S | . | * | trans | 93.4 | 15.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N223 | N223-G226 PolarHBondContact O-N 2.95Å; N223-G226 VanDerWaalsContact O-N 3.12Å; N223-G226 PolarHBondContact OD1-N 2.64Å | ||
| 227 | E | 64.6 | Low | 77.2 | Confident | 163 Ų | 163 | 108.5 Ų | 108.5 | 76% | 0.762 | 58% | 0.581 | S | S | * | * | trans | -97 | 0 | 171.5 | -43.4 | 160.3 | 129.3 | 0 | 0 | 111.1 | N223 | N223-E227 WeakPolarHBondContact CB-O 3.47Å; N223-E227 PolarHBondContact N-O 3.27Å; N223-E227 PolarHBondContact ND2-O 3.27Å; N223-E227 PolarHBondContact ND2-OE2 3.14Å; N223-E227 PolarHBondContact OD1-N 2.62Å; N223-E227 VanDerWaalsContact OD1-N 3.17Å; N223-E227 PolarHBondContact OD1-O 3.38Å |
Retrieved 227 of 227 residues in 38.3 ms
(Link to these results)