| 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 | 46.8 | Very low | 51.2 | Low | 243 Ų | 243 | 154.8 Ų | 154.8 | 100% | 1.197 | 87% | 0.867 | S | S | * | * | 0 | 120.4 | 0 | -171.6 | 165.5 | -174.4 | 0 | 0 | 105.4 | |||||
| 2 | A | 43.6 | Very low | 51.8 | Low | 91 Ų | 91 | 155.6 Ų | 155.6 | 75% | 0.752 | 87% | 0.865 | S | S | * | * | trans | 14 | 113.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 3 | D | 40.5 | Very low | 51.8 | Low | 155 Ų | 155 | 149.8 Ų | 149.8 | 83% | 0.829 | 85% | 0.849 | S | S | * | * | cis | 63.7 | 153.6 | 39.5 | -149 | -6.9 | 0 | 0 | 0 | 113.8 | ||||
| 4 | L | 53.8 | Low | 52.2 | Low | 159 Ų | 159 | 147 Ų | 147 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | trans | 79.6 | 106.4 | -170.1 | -53.8 | 172.3 | 0 | 0 | 0 | 117 | ||||
| 5 | A | 60.8 | Low | 52.9 | Low | 106 Ų | 106 | 144.5 Ų | 144.5 | 88% | 0.876 | 83% | 0.832 | S | S | * | * | 179.8 | 87.9 | 128.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 6 | N | 47.9 | Very low | 53.5 | Low | 167 Ų | 167 | 143.6 Ų | 143.6 | 89% | 0.893 | 83% | 0.829 | S | S | * | * | trans | -114.2 | 100 | 171.2 | -170.2 | 35.7 | 0 | 0 | 0 | 108.4 | ||||
| 7 | E | 58.8 | Low | 54.4 | Low | 188 Ų | 188 | 145.5 Ų | 145.5 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 120.8 | 179.4 | -87.4 | -153.9 | 106.4 | 0 | 0 | 111.9 | ||
| 8 | E | 50.3 | Low | 54.9 | Low | 185 Ų | 185 | 143.9 Ų | 143.9 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 125.9 | 174.1 | -170.2 | 179.7 | 114.9 | 0 | 0 | 110.7 | ||
| 9 | K | 63.7 | Low | 55.2 | Low | 196 Ų | 196 | 146.2 Ų | 146.2 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 122.8 | -176.6 | -166.4 | 175.9 | -175.4 | 178.7 | 0 | 110.3 | A11 | K9-A11 PolarHBondContact O-N 3.16Š|
| 10 | P | 50.7 | Low | 55.7 | Low | 110 Ų | 110 | 147.7 Ų | 147.7 | 71% | 0.714 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.3 | -170.6 | 25.2 | -34.8 | 0 | 0 | 0 | 112.8 | I12 | P10-I12 PolarHBondContact O-N 3.33Š|
| 11 | A | 46.5 | Very low | 55.6 | Low | 103 Ų | 103 | 149.7 Ų | 149.7 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -71.1 | 114.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K9 A13 | K9-A11 PolarHBondContact O-N 3.16Å; A11-A13 PolarHBondContact O-N 3.47Å | ||
| 12 | I | 58.7 | Low | 56.5 | Low | 164 Ų | 164 | 145.1 Ų | 145.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -76 | 113.6 | 174.2 | -71.1 | 161.6 | 0 | 0 | 0 | 109.2 | P10 | P10-I12 PolarHBondContact O-N 3.33Š| ||
| 13 | A | 51.3 | Low | 56.5 | Low | 80 Ų | 80 | 150 Ų | 150 | 66% | 0.661 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 146.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A11 | A11-A13 PolarHBondContact O-N 3.47Š|
| 14 | P | 57.2 | Low | 56.7 | Low | 111 Ų | 111 | 146 Ų | 146 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 149 | 177.3 | 28.6 | -35.1 | 0 | 0 | 0 | 111.9 | V16 | P14-V16 PolarHBondContact O-N 2.87Š|
| 15 | P | 63.1 | Low | 56.5 | Low | 110 Ų | 110 | 148.2 Ų | 148.2 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 120.5 | -174.7 | 27.1 | -34.6 | 0 | 0 | 0 | 112.3 | F17 | P15-F17 PolarHBondContact O-N 2.91Š|
| 16 | V | 62.9 | Low | 55.8 | Low | 129 Ų | 129 | 152 Ų | 152 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | -80.2 | 108.1 | 174 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | P14 V18 | P14-V16 PolarHBondContact O-N 2.87Å; V16-V18 HydrophobicContact CG1-CG2 4.4Å; V16-V18 PolarHBondContact O-N 2.85Å | ||
| 17 | F | 67.9 | Low | 55.5 | Low | 176 Ų | 176 | 149.1 Ų | 149.1 | 77% | 0.772 | 80% | 0.795 | S | S | * | * | trans | -74.4 | 103.9 | 172.2 | -89.2 | -95.1 | 0 | 0 | 0 | 111 | P15 F19 | P15-F17 PolarHBondContact O-N 2.91Å; F17-F19 PolarHBondContact O-N 3.22Å | ||
| 18 | V | 63.6 | Low | 54.9 | Low | 117 Ų | 117 | 146 Ų | 146 | 71% | 0.709 | 79% | 0.791 | S | S | * | * | trans | -81.8 | 102.3 | 173.3 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | V16 Q20 | V16-V18 HydrophobicContact CG1-CG2 4.4Å; V16-V18 PolarHBondContact O-N 2.85Å; V18-Q20 PolarHBondContact O-N 3.39Å | ||
| 19 | F | 60 | Low | 54.5 | Low | 187 Ų | 187 | 141.6 Ų | 141.6 | 82% | 0.82 | 79% | 0.786 | S | S | * | * | trans | -70.7 | 101.6 | 171.7 | -91.2 | -91.4 | 0 | 0 | 0 | 110.6 | F17 K21 | F17-F19 PolarHBondContact O-N 3.22Å; F19-K21 PolarHBondContact O-N 3.39Å | ||
| 20 | Q | 65.3 | Low | 53.7 | Low | 177 Ų | 177 | 141.7 Ų | 141.7 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -66.4 | 89.3 | 173.4 | -163.2 | 90.1 | 49.7 | 0 | 0 | 109.7 | V18 D22 | V18-Q20 PolarHBondContact O-N 3.39Å; Q20-D22 PolarHBondContact O-N 3.1Å | ||
| 21 | K | 53.8 | Low | 53.3 | Low | 189 Ų | 189 | 144.2 Ų | 144.2 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -74.3 | 89.9 | 179.8 | -176.1 | 166.3 | -175.6 | 160.3 | 0 | 111 | F19 | F19-K21 PolarHBondContact O-N 3.39Š| ||
| 22 | D | 66 | Low | 53.4 | Low | 148 Ų | 148 | 147.8 Ų | 147.8 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | -63.8 | 155 | 175.6 | -144.1 | -47.9 | 0 | 0 | 0 | 112.1 | Q20 | Q20-D22 PolarHBondContact O-N 3.1Š| ||
| 23 | K | 44 | Very low | 52.6 | Low | 193 Ų | 193 | 146.5 Ų | 146.5 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | trans | -136.1 | 51 | -158.8 | -124.9 | -176.9 | -175.4 | -176.8 | 0 | 114.8 | ||||
| 24 | G | 45.4 | Very low | 52.2 | Low | 70 Ų | 70 | 150.8 Ų | 150.8 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | 100.7 | 165.8 | 127.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 25 | Q | 49.3 | Very low | 51.7 | Low | 206 Ų | 206 | 151.3 Ų | 151.3 | 96% | 0.963 | 80% | 0.8 | S | S | * | * | trans | -142.7 | 170.8 | 146 | -104.4 | -169.7 | 6.3 | 0 | 0 | 109.2 | ||||
| 26 | K | 45.2 | Very low | 50.6 | Low | 187 Ų | 187 | 153.8 Ų | 153.8 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -140.9 | 116 | -153.7 | -170.5 | -169.3 | -177.2 | -171.9 | 0 | 113.4 | ||||
| 27 | S | 42.6 | Very low | 49.9 | Very low | 106 Ų | 106 | 153.1 Ų | 153.1 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | 68.1 | 169.6 | 153.2 | 77.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 28 | P | 46.6 | Very low | 48.5 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | cis | -128.6 | 172.8 | 8.8 | 41.9 | -25.4 | 0 | 0 | 0 | 117.9 | ||||
| 29 | A | 40.7 | Very low | 47.7 | Very low | 91 Ų | 91 | 152.1 Ų | 152.1 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -54 | 157.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 30 | E | 46.4 | Very low | 46.9 | Very low | 199 Ų | 199 | 151.9 Ų | 151.9 | 93% | 0.93 | 82% | 0.82 | S | S | * | * | trans | -126.5 | 159.3 | 141.1 | -142.6 | 178.9 | 134.2 | 0 | 0 | 110 | ||||
| 31 | Q | 42.4 | Very low | 46.4 | Very low | 163 Ų | 163 | 149.2 Ų | 149.2 | 76% | 0.762 | 82% | 0.818 | S | S | * | * | trans | -119.4 | 141.1 | -168.7 | -52.7 | 164.4 | -90.6 | 0 | 0 | 110.7 | ||||
| 32 | K | 48.2 | Very low | 46.1 | Very low | 177 Ų | 177 | 151.6 Ų | 151.6 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | 171.2 | 149.5 | 110 | -96.1 | 167.5 | -178.5 | 169.4 | 0 | 115.8 | |||||
| 33 | N | 42.5 | Very low | 44.7 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | 56.6 | 95.6 | 142.4 | -59.5 | 3 | 0 | 0 | 0 | 119.4 | ||||
| 34 | L | 43.3 | Very low | 44.6 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | trans | -45.6 | 147.6 | 137 | -63.6 | 149.8 | 0 | 0 | 0 | 111.4 | ||||
| 35 | S | 46.2 | Very low | 44.5 | Very low | 122 Ų | 122 | 149 Ų | 149 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -148.1 | 118.5 | 148.5 | -73.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 36 | D | 40.1 | Very low | 44.1 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | -108.9 | 130.9 | 179.6 | 176.8 | 28.1 | 0 | 0 | 0 | 108 | ||||
| 37 | S | 48.5 | Very low | 44.1 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -160.5 | 101.8 | 179.2 | 58.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 38 | G | 37.6 | Very low | 44.4 | Very low | 74 Ų | 74 | 143.4 Ų | 143.4 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | -87.6 | 152 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 39 | E | 46.7 | Very low | 44.3 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -132.5 | 127.8 | 164.4 | -90.5 | -178 | 88.1 | 0 | 0 | 109.3 | ||||
| 40 | E | 44.2 | Very low | 44.6 | Very low | 183 Ų | 183 | 148.6 Ų | 148.6 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -86.4 | 145.6 | 156.5 | -76.2 | -152.8 | 129.4 | 0 | 0 | 109.7 | ||||
| 41 | P | 55.7 | Low | 44.3 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -111.2 | 124 | 150.3 | 32.5 | -22.8 | 0 | 0 | 0 | 110.8 | ||||
| 42 | R | 46.1 | Very low | 44.6 | Very low | 239 Ų | 239 | 141.7 Ų | 141.7 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -58 | 148.3 | 166.9 | -71.4 | 175.6 | 168.1 | -174.5 | -6.2 | 110.9 | ||||
| 43 | G | 37.6 | Very low | 44.2 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | trans | -82.3 | -170.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 44 | E | 41.9 | Very low | 44.2 | Very low | 203 Ų | 203 | 139.4 Ų | 139.4 | 95% | 0.949 | 81% | 0.812 | S | S | * | * | trans | 72.8 | 132 | -179.7 | -50.1 | -171.1 | 140.2 | 0 | 0 | 113.9 | ||||
| 45 | A | 43.7 | Very low | 44.6 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | cis | -150.6 | 172.5 | 2.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 46 | E | 39.5 | Very low | 44.4 | Very low | 197 Ų | 197 | 137.4 Ų | 137.4 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | 65.8 | 144.1 | 162.6 | -65.6 | -168.4 | 98.7 | 0 | 0 | 121.4 | ||||
| 47 | A | 45 | Very low | 44.7 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -152.5 | -175 | 173.2 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 48 | P | 48.9 | Very low | 44.7 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 63% | 0.63 | 79% | 0.789 | S | S | * | * | cis | -126.7 | -165.5 | -9 | 41.1 | -25.1 | 0 | 0 | 0 | 111.9 | ||||
| 49 | H | 45 | Very low | 44.9 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 68% | 0.676 | 79% | 0.785 | S | S | * | * | 159.4 | 128.5 | 124.7 | -88.6 | -72.2 | 0 | 0 | 0 | 112.7 | |||||
| 50 | H | 46.4 | Very low | 44.9 | Very low | 177 Ų | 177 | 132.7 Ų | 132.7 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | 39.8 | 139.6 | 157.1 | -47.2 | -65.2 | 0 | 0 | 0 | 121.3 | ||||
| 51 | G | 41.5 | Very low | 44.9 | Very low | 62 Ų | 62 | 132.3 Ų | 132.3 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | cis | 161.7 | 156.7 | -3.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 52 | T | 48.6 | Very low | 44.1 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 95% | 0.951 | 78% | 0.779 | S | S | * | * | trans | 48.6 | 111.4 | 160.8 | 52.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 53 | G | 39.2 | Very low | 44.2 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | -175.3 | 125.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 54 | H | 42.4 | Very low | 44.2 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -164.3 | 147.5 | -175.7 | 170.1 | -84.4 | 0 | 0 | 0 | 108.3 | ||||
| 55 | P | 51.5 | Low | 45.3 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | cis | -125.9 | -162.2 | -13.4 | 36.6 | -16.6 | 0 | 0 | 0 | 112.7 | ||||
| 56 | E | 41.6 | Very low | 45.7 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | 140.5 | 129.7 | 110.1 | -136.3 | 176 | 128 | 0 | 0 | 118 | |||||
| 57 | S | 48.1 | Very low | 45.6 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | 70.4 | 135.7 | 145.8 | -93.7 | 0 | 0 | 0 | 0 | 126 | ||||
| 58 | A | 47.4 | Very low | 46.6 | Very low | 106 Ų | 106 | 127.5 Ų | 127.5 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | 81.5 | 147.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 59 | G | 41.3 | Very low | 46.3 | Very low | 66 Ų | 66 | 127.9 Ų | 127.9 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | 91.9 | 94.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 60 | E | 46.9 | Very low | 46.1 | Very low | 173 Ų | 173 | 124.8 Ų | 124.8 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | 76.7 | 150.8 | 53.4 | -61.5 | -157.5 | 84.5 | 0 | 0 | 115.8 | |||||
| 61 | H | 45.7 | Very low | 45.9 | Very low | 176 Ų | 176 | 121.5 Ų | 121.5 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | trans | 68.5 | 96.9 | -172.1 | -43.3 | -66.9 | 0 | 0 | 0 | 113.9 | ||||
| 62 | A | 38.2 | Very low | 45.9 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | cis | 68.9 | 104.9 | 46.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 63 | L | 47.7 | Very low | 45.7 | Very low | 182 Ų | 182 | 121.6 Ų | 121.6 | 95% | 0.953 | 80% | 0.801 | S | S | * | * | trans | -162.3 | 133.9 | 151.9 | -104.1 | 177 | 0 | 0 | 0 | 109.6 | ||||
| 64 | E | 38.2 | Very low | 46.1 | Very low | 170 Ų | 170 | 123.1 Ų | 123.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -111 | 137.3 | -179.4 | 178.6 | -167.4 | 130.3 | 0 | 0 | 110.5 | ||||
| 65 | P | 64.5 | Low | 46.3 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -105.2 | 148.9 | 161.4 | 35.2 | -27.1 | 0 | 0 | 0 | 112.5 | ||||
| 66 | P | 51.5 | Low | 47.1 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 165.4 | -152.4 | 37.4 | -39.1 | 0 | 0 | 0 | 116.2 | ||
| 67 | A | 37.9 | Very low | 48.1 | Very low | 94 Ų | 94 | 119.7 Ų | 119.7 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 137.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 68 | P | 65.7 | Low | 48.8 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 145.6 | 166.4 | 34 | -32.6 | 0 | 0 | 0 | 111.2 | ||
| 69 | A | 43.5 | Very low | 49.8 | Very low | 105 Ų | 105 | 121.5 Ų | 121.5 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | trans | -114.4 | 145.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 70 | G | 40.4 | Very low | 50.5 | Low | 81 Ų | 81 | 122.7 Ų | 122.7 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 89.3 | 103.1 | 147.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 71 | A | 42.7 | Very low | 50.7 | Low | 107 Ų | 107 | 120.5 Ų | 120.5 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | trans | -145.5 | 140.1 | 143 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 72 | S | 40.4 | Very low | 50.8 | Low | 123 Ų | 123 | 121.2 Ų | 121.2 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | trans | -119 | 178.4 | -176 | -66 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 73 | A | 44.9 | Very low | 51.3 | Low | 96 Ų | 96 | 121.1 Ų | 121.1 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | 81.3 | 138.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 74 | S | 47.7 | Very low | 50.9 | Low | 116 Ų | 116 | 120.7 Ų | 120.7 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | cis | -153.2 | 146.7 | -9 | -105 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 75 | T | 47.1 | Very low | 51.4 | Low | 132 Ų | 132 | 119.8 Ų | 119.8 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 132.3 | 174.9 | -46.6 | 0 | 0 | 0 | 0 | 110 | ||
| 76 | P | 67.9 | Low | 50.5 | Low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 137.5 | 172.4 | 30.5 | -33.4 | 0 | 0 | 0 | 111.3 | ||
| 77 | P | 63.3 | Low | 50.1 | Low | 113 Ų | 113 | 119.4 Ų | 119.4 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 157.9 | 176.9 | 34.9 | -35.2 | 0 | 0 | 0 | 112.4 | ||
| 78 | P | 62.7 | Low | 50.4 | Low | 116 Ų | 116 | 124.4 Ų | 124.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 149.4 | 166.5 | 32.4 | -34.3 | 0 | 0 | 0 | 111.3 | ||
| 79 | P | 68.8 | Low | 49.2 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 151.4 | 170.2 | 30.4 | -34.1 | 0 | 0 | 0 | 111.5 | ||
| 80 | A | 55.5 | Low | 49 | Very low | 90 Ų | 90 | 128.9 Ų | 128.9 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 158.6 | -170 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 81 | P | 51.4 | Low | 49.1 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 123.9 | 166 | 33.7 | -30 | 0 | 0 | 0 | 112 | ||
| 82 | E | 46.8 | Very low | 49.1 | Very low | 191 Ų | 191 | 133 Ų | 133 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | trans | -108.5 | 154.6 | 156.2 | -66.6 | -170.7 | 89.5 | 0 | 0 | 108.2 | ||||
| 83 | A | 48.7 | Very low | 49.2 | Very low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | cis | -137.7 | 174 | 14.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 84 | Q | 40.5 | Very low | 49 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -89 | 158 | 179.3 | -58.1 | 157.1 | 32.1 | 0 | 0 | 110.6 | ||||
| 85 | L | 46.9 | Very low | 48.8 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | 161.7 | 173.8 | 91.3 | -79.3 | 175.6 | 0 | 0 | 0 | 107.8 | |||||
| 86 | P | 45.4 | Very low | 48.6 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | -128.8 | 171.3 | -52.1 | 38.6 | -23.4 | 0 | 0 | 0 | 112.4 | |||||
| 87 | P | 43.5 | Very low | 47.6 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -95.3 | 158.5 | -177.6 | 36.8 | -35.3 | 0 | 0 | 0 | 115 | ||||
| 88 | F | 43.9 | Very low | 46.7 | Very low | 198 Ų | 198 | 134.8 Ų | 134.8 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | trans | -134.3 | 151.7 | 165 | -81.2 | -80.1 | 0 | 0 | 0 | 112.5 | ||||
| 89 | P | 41.3 | Very low | 45.8 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | trans | -129.7 | 159.3 | -162.9 | 40.8 | -25.1 | 0 | 0 | 0 | 117.4 | ||||
| 90 | R | 40.4 | Very low | 44.9 | Very low | 221 Ų | 221 | 132 Ų | 132 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | 65.3 | 160.1 | 156.8 | -88 | -178.3 | 136.5 | 134.9 | -4.1 | 116.5 | ||||
| 91 | E | 40.5 | Very low | 44.8 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 62% | 0.621 | 79% | 0.793 | S | S | * | * | cis | -153.8 | 166.1 | 11.9 | -136.3 | -177.3 | 175.1 | 0 | 0 | 115 | ||||
| 92 | L | 42.9 | Very low | 45.5 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 67 | 130.5 | 148 | -76.8 | 167.5 | 0 | 0 | 0 | 124.6 | ||||
| 93 | A | 42.4 | Very low | 46.4 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | 67.3 | 148.3 | 145 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 94 | G | 42.1 | Very low | 46.3 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | cis | 147 | 77.9 | -12.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 95 | R | 42.9 | Very low | 47.2 | Very low | 252 Ų | 252 | 127.7 Ų | 127.7 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | trans | 178.9 | 143.1 | 163.2 | -101.9 | 157.6 | 168 | -150.6 | -5.9 | 107.8 | ||||
| 96 | S | 43.2 | Very low | 47.6 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | cis | 115.9 | 117.2 | 3.5 | -167.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 97 | A | 47.4 | Very low | 48.3 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | 63.8 | 149.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 98 | G | 42.7 | Very low | 49.1 | Very low | 85 Ų | 85 | 131 Ų | 131 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | cis | 170.3 | 153.9 | -8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 99 | G | 44.8 | Very low | 49.6 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | 136.1 | 128.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 100 | S | 49 | Very low | 50.3 | Low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | 75 | 124.8 | 61.2 | -68.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 101 | S | 54.2 | Low | 51.3 | Low | 102 Ų | 102 | 133.6 Ų | 133.6 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | cis | -154.1 | 162 | -2.2 | -72.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 102 | P | 65.3 | Low | 51.8 | Low | 126 Ų | 126 | 134.6 Ų | 134.6 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 138.9 | 166.1 | 33.2 | -32.2 | 0 | 0 | 0 | 111.1 | ||
| 103 | E | 66.6 | Low | 52.4 | Low | 198 Ų | 198 | 131.2 Ų | 131.2 | 93% | 0.925 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 153.5 | 167.3 | -65.2 | -159.2 | 112.1 | 0 | 0 | 111.4 | ||
| 104 | G | 47.4 | Very low | 52.9 | Low | 76 Ų | 76 | 133.9 Ų | 133.9 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 129.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 105 | G | 59.4 | Low | 53.5 | Low | 86 Ų | 86 | 140 Ų | 140 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -99.5 | 102.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 106 | E | 53.6 | Low | 54.3 | Low | 194 Ų | 194 | 133.3 Ų | 133.3 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | -90.4 | 120.2 | 171.2 | -54.8 | 178.3 | 141.5 | 0 | 0 | 108.1 | ||||
| 107 | D | 60.3 | Low | 55.7 | Low | 150 Ų | 150 | 132.2 Ų | 132.2 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -147.6 | 122.8 | 169.1 | -160.7 | 4.5 | 0 | 0 | 0 | 113.7 | ||||
| 108 | S | 60.8 | Low | 56.3 | Low | 94 Ų | 94 | 132.4 Ų | 132.4 | 66% | 0.657 | 80% | 0.8 | S | S | * | * | trans | 40.4 | 111.3 | 156.9 | -58.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 109 | D | 53.7 | Low | 57.3 | Low | 166 Ų | 166 | 135 Ų | 135 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -50.8 | 146.3 | 149.9 | -67.4 | -71.9 | 0 | 0 | 0 | 112 | ||||
| 110 | R | 57.8 | Low | 58 | Low | 231 Ų | 231 | 141.6 Ų | 141.6 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -145.6 | 152.6 | 160.2 | -123.4 | -178.1 | -179.1 | 99.2 | 1.7 | 111.9 | ||||
| 111 | E | 60.1 | Low | 58.2 | Low | 187 Ų | 187 | 147.3 Ų | 147.3 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -81 | 171.4 | -149.7 | -65.3 | 166.7 | 100.7 | 0 | 0 | 116.9 | ||||
| 112 | D | 52.2 | Low | 58.1 | Low | 153 Ų | 153 | 151.6 Ų | 151.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -36.9 | 140.3 | 176.5 | -88 | -77.3 | 0 | 0 | 0 | 117.4 | ||||
| 113 | G | 55.5 | Low | 57.3 | Low | 71 Ų | 71 | 156.1 Ų | 156.1 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | trans | -149.3 | 26.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y115 | G113-Y115 PolarHBondContact O-N 3.36Š| ||
| 114 | N | 51.2 | Low | 56.4 | Low | 157 Ų | 157 | 152.7 Ų | 152.7 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | trans | -72 | 78.3 | -176.9 | -83.4 | -56.5 | 0 | 0 | 0 | 113.5 | ||||
| 115 | Y | 54.5 | Low | 56.4 | Low | 200 Ų | 200 | 154.1 Ų | 154.1 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -87.7 | 110.9 | 174.9 | -172 | -102.2 | 0 | 0 | 0 | 112.4 | G113 | G113-Y115 PolarHBondContact O-N 3.36Š| ||
| 116 | C | 60.7 | Low | 55.8 | Low | 111 Ų | 111 | 154.8 Ų | 154.8 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | trans | -112 | 126.2 | 172.2 | -165.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 117 | P | 71.6 | Confident | 55.6 | Low | 92 Ų | 92 | 152.6 Ų | 152.6 | 60% | 0.597 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 134.3 | -171.6 | 27.4 | -34.7 | 0 | 0 | 0 | 112.6 | V119 | P117-V119 PolarHBondContact O-N 3.37Š|
| 118 | P | 61.3 | Low | 55.1 | Low | 113 Ų | 113 | 151.6 Ų | 151.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 124.4 | -176.1 | 29.6 | -34.5 | 0 | 0 | 0 | 112.6 | ||
| 119 | V | 63.8 | Low | 54.4 | Low | 139 Ų | 139 | 154.9 Ų | 154.9 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 126.4 | 168.8 | -172.8 | 0 | 0 | 0 | 0 | 109.2 | P117 R121 | P117-V119 PolarHBondContact O-N 3.37Å; V119-R121 PolarHBondContact O-N 3.08Å |
| 120 | K | 58.6 | Low | 54 | Low | 207 Ų | 207 | 155.9 Ų | 155.9 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 126.9 | 174.7 | -72.6 | -174.5 | 176.9 | -177.5 | 0 | 110.2 | ||
| 121 | R | 54.2 | Low | 53.8 | Low | 240 Ų | 240 | 150.1 Ų | 150.1 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | trans | -118.2 | 100.3 | -175.9 | -173.1 | -179.9 | -166.4 | 158.1 | 4.8 | 110.5 | V119 | V119-R121 PolarHBondContact O-N 3.08Š| ||
| 122 | E | 52.6 | Low | 53.1 | Low | 192 Ų | 192 | 147 Ų | 147 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -83.2 | 174.4 | 166.1 | -60.4 | -149.5 | 113.5 | 0 | 0 | 111.3 | ||||
| 123 | R | 47.9 | Very low | 53 | Low | 221 Ų | 221 | 145.7 Ų | 145.7 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -132.7 | 144.7 | -138.5 | -168 | -164.3 | 167.2 | 146.4 | -4.6 | 113.4 | ||||
| 124 | T | 48.2 | Very low | 52.3 | Low | 127 Ų | 127 | 151.5 Ų | 151.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | 72.2 | 156 | 175.7 | 81.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 125 | S | 45.8 | Very low | 52 | Low | 105 Ų | 105 | 149.2 Ų | 149.2 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | cis | -137.8 | -175.8 | 7.3 | 64.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 126 | S | 47 | Very low | 51.4 | Low | 100 Ų | 100 | 148.7 Ų | 148.7 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -37.4 | 155.2 | 175.5 | 45.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 127 | L | 50.3 | Low | 50.7 | Low | 149 Ų | 149 | 150.3 Ų | 150.3 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | -172.4 | 156.6 | 62.1 | -174.2 | 59.5 | 0 | 0 | 0 | 114 | |||||
| 128 | T | 50.5 | Low | 49.4 | Very low | 128 Ų | 128 | 155 Ų | 155 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 60.8 | 111.6 | 163.8 | 37.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 129 | Q | 45 | Very low | 48.7 | Very low | 163 Ų | 163 | 155.6 Ų | 155.6 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -69.4 | 148.1 | 163 | 159.5 | -170.7 | 5.7 | 0 | 0 | 113.7 | ||||
| 130 | F | 45 | Very low | 48.3 | Very low | 188 Ų | 188 | 155 Ų | 155 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -178.4 | 158.9 | 132.5 | -88.5 | -56.2 | 0 | 0 | 0 | 111.1 | ||||
| 131 | P | 54.9 | Low | 47.9 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | trans | -97 | 167.3 | -156.6 | 37.9 | -39.7 | 0 | 0 | 0 | 117.1 | ||||
| 132 | P | 43.8 | Very low | 48 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -86.3 | 171.6 | -176.4 | 35.8 | -37.7 | 0 | 0 | 0 | 115.1 | ||||
| 133 | S | 51.9 | Low | 48.4 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -144.6 | 156.7 | 169.8 | -70.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 134 | Q | 40.4 | Very low | 49.3 | Very low | 193 Ų | 193 | 147.1 Ų | 147.1 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -97.6 | 143.2 | -173.3 | -54.8 | 175.1 | 13.3 | 0 | 0 | 112.3 | ||||
| 135 | S | 44 | Very low | 50.3 | Low | 108 Ų | 108 | 150.3 Ų | 150.3 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | trans | -167.5 | 96.7 | 146.9 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 136 | E | 42.2 | Very low | 51.2 | Low | 189 Ų | 189 | 150.6 Ų | 150.6 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | 37.3 | 135.2 | 130.5 | -52.5 | -177.2 | 127.3 | 0 | 0 | 123.3 | ||||
| 137 | E | 45.4 | Very low | 52.4 | Low | 145 Ų | 145 | 151.9 Ų | 151.9 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | 104.5 | 154.2 | 129.8 | -119.2 | -167.7 | -177.1 | 0 | 0 | 123.7 | |||||
| 138 | R | 44.1 | Very low | 53.3 | Low | 192 Ų | 192 | 150.5 Ų | 150.5 | 73% | 0.725 | 81% | 0.812 | S | S | * | * | trans | 75.6 | 64.6 | 166.3 | -52 | -57.5 | 166.7 | 177.7 | -11 | 120.9 | ||||
| 139 | S | 47.1 | Very low | 53.8 | Low | 125 Ų | 125 | 152.7 Ų | 152.7 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | 9.8 | 126.4 | 126.2 | -47.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 140 | S | 56 | Low | 54.7 | Low | 127 Ų | 127 | 152 Ų | 152 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | trans | -146.3 | 116.5 | 142.3 | 68.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 141 | G | 49 | Very low | 55.5 | Low | 75 Ų | 75 | 152 Ų | 152 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -128.1 | 139 | -170 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 142 | F | 56.9 | Low | 55.3 | Low | 214 Ų | 214 | 149.7 Ų | 149.7 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | trans | -120.2 | 103 | 162.7 | -84.8 | -88.2 | 0 | 0 | 0 | 109.3 | ||||
| 143 | R | 62.1 | Low | 55.3 | Low | 241 Ų | 241 | 153.1 Ų | 153.1 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -127.8 | 92.2 | 172.3 | -170.3 | 173.4 | -173.5 | 163.7 | 2.5 | 109.3 | K145 | R143-K145 PolarHBondContact O-N 3.21Š| ||
| 144 | L | 65.4 | Low | 54.9 | Low | 163 Ų | 163 | 151.8 Ų | 151.8 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 127.2 | 172.1 | -62.4 | 176.7 | 0 | 0 | 0 | 108.9 | ||
| 145 | K | 68.7 | Low | 55.9 | Low | 194 Ų | 194 | 148.7 Ų | 148.7 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 135.6 | 166.9 | -76 | -179.5 | 173.5 | 179.3 | 0 | 108.5 | R143 | R143-K145 PolarHBondContact O-N 3.21Š|
| 146 | P | 66.3 | Low | 56 | Low | 111 Ų | 111 | 149.3 Ų | 149.3 | 72% | 0.721 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 139.2 | 168.4 | 28.9 | -33.5 | 0 | 0 | 0 | 109.4 | T148 | P146-T148 PolarHBondContact O-N 2.55Š|
| 147 | P | 71.4 | Confident | 56.3 | Low | 128 Ų | 128 | 145.2 Ų | 145.2 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71 | 121.2 | 173.9 | 28.7 | -32.6 | 0 | 0 | 0 | 109.9 | L149 | P147-L149 PolarHBondContact O-N 3.02Š|
| 148 | T | 69.3 | Low | 56.3 | Low | 119 Ų | 119 | 141.9 Ų | 141.9 | 73% | 0.73 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 118.1 | 170.5 | 45.5 | 0 | 0 | 0 | 0 | 109.8 | P146 I150 | P146-T148 PolarHBondContact O-N 2.55Å; T148-I150 PolarHBondContact O-N 3.13Å; T148-I150 VanDerWaalsContact O-N 3.08Å |
| 149 | L | 61.5 | Low | 56.5 | Low | 174 Ų | 174 | 141 Ų | 141 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | trans | -71.3 | 98.2 | 174.3 | -171.7 | 98.4 | 0 | 0 | 0 | 109.7 | P147 | P147-L149 PolarHBondContact O-N 3.02Š| ||
| 150 | I | 64.3 | Low | 56.6 | Low | 150 Ų | 150 | 140.7 Ų | 140.7 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | trans | -85 | 128.6 | 174.2 | -55.6 | 178.6 | 0 | 0 | 0 | 108.7 | T148 | T148-I150 PolarHBondContact O-N 3.13Å; T148-I150 VanDerWaalsContact O-N 3.08Å | ||
| 151 | H | 60.5 | Low | 56 | Low | 186 Ų | 186 | 140 Ų | 140 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | trans | -84.5 | 129.9 | -177.2 | -177.3 | 103.1 | 0 | 0 | 0 | 111.3 | ||||
| 152 | G | 50.1 | Low | 55.9 | Low | 62 Ų | 62 | 145.6 Ų | 145.6 | 64% | 0.639 | 83% | 0.828 | S | S | * | * | trans | 127.4 | 143.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 153 | Q | 45.5 | Very low | 55.2 | Low | 193 Ų | 193 | 144.6 Ų | 144.6 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | 58.6 | 98.4 | 155.1 | -139 | 92.3 | 4.9 | 0 | 0 | 119 | ||||
| 154 | A | 43 | Very low | 54.3 | Low | 98 Ų | 98 | 138.6 Ų | 138.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -90.8 | 127.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 155 | P | 61.3 | Low | 53.4 | Low | 128 Ų | 128 | 139.6 Ų | 139.6 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | trans | -81.6 | 151.7 | 167.7 | 33.1 | -32.6 | 0 | 0 | 0 | 111.2 | ||||
| 156 | S | 46.6 | Very low | 52.1 | Low | 122 Ų | 122 | 139.7 Ų | 139.7 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -117.5 | 170 | -178.9 | -168.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 157 | A | 48.5 | Very low | 51.4 | Low | 103 Ų | 103 | 140.9 Ų | 140.9 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | 71.2 | 144.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 158 | G | 45.7 | Very low | 50.3 | Low | 75 Ų | 75 | 143.4 Ų | 143.4 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 143.8 | 43.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | P160 | G158-P160 WeakPolarHBondContact O-CD 2.99Š| ||
| 159 | L | 46.6 | Very low | 49.3 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | -89.9 | 127.2 | 175 | -161.1 | 88 | 0 | 0 | 0 | 111.8 | ||||
| 160 | P | 49.1 | Very low | 48.8 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -128.8 | 148.4 | 146.3 | 35.3 | -24.4 | 0 | 0 | 0 | 112.5 | G158 | G158-P160 WeakPolarHBondContact O-CD 2.99Š| ||
| 161 | S | 43.8 | Very low | 48.3 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -95.3 | 124.9 | -175.4 | 178.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 162 | Q | 47.5 | Very low | 48 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -145.2 | 140.7 | 153.6 | -82.1 | -162.5 | -7.5 | 0 | 0 | 112.6 | ||||
| 163 | K | 42.1 | Very low | 48.8 | Very low | 194 Ų | 194 | 150.4 Ų | 150.4 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -79.8 | 175.4 | 164.2 | -87.7 | -179 | 178.6 | -179.8 | 0 | 110.2 | ||||
| 164 | P | 43.9 | Very low | 49.6 | Very low | 114 Ų | 114 | 147 Ų | 147 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | cis | -135.5 | 163.5 | -26.2 | 34.3 | -17.8 | 0 | 0 | 0 | 114 | ||||
| 165 | K | 45.4 | Very low | 50.4 | Low | 185 Ų | 185 | 147 Ų | 147 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -168.7 | 125.7 | 131.2 | -116.5 | 177.9 | -179.5 | -177 | 0 | 111.9 | ||||
| 166 | E | 41.2 | Very low | 50.2 | Low | 195 Ų | 195 | 147.3 Ų | 147.3 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | trans | -102.4 | 106.3 | 174.3 | -173 | 178 | 160.1 | 0 | 0 | 109.2 | ||||
| 167 | Q | 51.8 | Low | 50.5 | Low | 136 Ų | 136 | 149.8 Ų | 149.8 | 64% | 0.636 | 82% | 0.815 | S | S | * | * | trans | -137.4 | 111.6 | 170.4 | -78.2 | -173.6 | -87.2 | 0 | 0 | 111 | ||||
| 168 | Q | 47.7 | Very low | 50.5 | Low | 182 Ų | 182 | 152.8 Ų | 152.8 | 85% | 0.85 | 81% | 0.811 | S | S | * | * | trans | 50.4 | 78.9 | 144.7 | -61.7 | 174.5 | -44.4 | 0 | 0 | 117.1 | ||||
| 169 | R | 48.9 | Very low | 50.8 | Low | 239 Ų | 239 | 152.9 Ų | 152.9 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -107.1 | 124.5 | 142.9 | -71.4 | -174.2 | 71.5 | 172.8 | 0.8 | 108.9 | V171 | R169-V171 PolarHBondContact O-N 2.73Š| ||
| 170 | S | 50.9 | Low | 51.1 | Low | 110 Ų | 110 | 150.7 Ų | 150.7 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -69.6 | 113.3 | -172.5 | 51.7 | 0 | 0 | 0 | 0 | 112.1 | L172 | S170-L172 PolarHBondContact O-N 3.34Š| ||
| 171 | V | 54.5 | Low | 51.3 | Low | 115 Ų | 115 | 152.5 Ų | 152.5 | 70% | 0.697 | 80% | 0.799 | S | S | * | * | trans | -77.1 | 108.9 | 165.4 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | R169 R173 | R169-V171 PolarHBondContact O-N 2.73Å; V171-R173 HydrophobicContact CG1-CG 4.45Å; V171-R173 PolarHBondContact O-N 3.07Å | ||
| 172 | L | 54.6 | Low | 51.6 | Low | 161 Ų | 161 | 152.9 Ų | 152.9 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -69.8 | 99.1 | 172.3 | -69.4 | 171.7 | 0 | 0 | 0 | 109.4 | S170 | S170-L172 PolarHBondContact O-N 3.34Š| ||
| 173 | R | 66.1 | Low | 51.7 | Low | 213 Ų | 213 | 153.2 Ų | 153.2 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 142 | 167.2 | -70.9 | -172.7 | 172.3 | 95.3 | -3.5 | 109.7 | V171 | V171-R173 HydrophobicContact CG1-CG 4.45Å; V171-R173 PolarHBondContact O-N 3.07Å |
| 174 | P | 63.4 | Low | 51.6 | Low | 121 Ų | 121 | 148.6 Ų | 148.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 144 | 169.2 | -23.8 | 34.3 | 0 | 0 | 0 | 111.5 | V176 | P174-V176 PolarHBondContact O-N 3.06Š|
| 175 | A | 58 | Low | 51.7 | Low | 97 Ų | 97 | 150.7 Ų | 150.7 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 126.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L177 | A175-L177 PolarHBondContact O-N 3.33Š|
| 176 | V | 58.6 | Low | 51.5 | Low | 136 Ų | 136 | 146.7 Ų | 146.7 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 117.7 | 167.2 | 174.4 | 0 | 0 | 0 | 0 | 107.9 | P174 Q178 | P174-V176 PolarHBondContact O-N 3.06Å; V176-Q178 VanDerWaalsContact C-N 3.32Å; V176-Q178 PolarHBondContact O-N 3.44Å |
| 177 | L | 51.5 | Low | 51.4 | Low | 174 Ų | 174 | 146.1 Ų | 146.1 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -70.1 | 87.6 | 173.1 | -92.2 | 157.5 | 0 | 0 | 0 | 109.8 | A175 A179 | A175-L177 PolarHBondContact O-N 3.33Å; L177-A179 PolarHBondContact O-N 3.07Å | ||
| 178 | Q | 49.2 | Very low | 50.7 | Low | 165 Ų | 165 | 146 Ų | 146 | 77% | 0.771 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 121.3 | 171.8 | -174.1 | 174.4 | 4 | 0 | 0 | 109.7 | V176 | V176-Q178 VanDerWaalsContact C-N 3.32Å; V176-Q178 PolarHBondContact O-N 3.44Å |
| 179 | A | 52 | Low | 50.3 | Low | 77 Ų | 77 | 143 Ų | 143 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 143.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L177 Q181 | L177-A179 PolarHBondContact O-N 3.07Å; A179-Q181 PolarHBondContact O-N 3.07Å |
| 180 | P | 53.9 | Low | 50.1 | Low | 126 Ų | 126 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61 | 133.1 | 175.9 | -22.8 | 33.9 | 0 | 0 | 0 | 112.2 | ||
| 181 | Q | 52.6 | Low | 49.7 | Very low | 158 Ų | 158 | 137 Ų | 137 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 132.1 | 173.8 | -74.8 | -77.6 | -46.7 | 0 | 0 | 110.9 | A179 K183 | A179-Q181 PolarHBondContact O-N 3.07Å; Q181-K183 PolarHBondContact O-N 2.74Å; Q181-K183 VanDerWaalsContact O-N 3.15Å |
| 182 | P | 50.2 | Low | 49.1 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -72.8 | 106.6 | 178.4 | 29.2 | -33.5 | 0 | 0 | 0 | 110.8 | A184 | P182-A184 PolarHBondContact O-N 3.34Š| ||
| 183 | K | 50.2 | Low | 48.5 | Very low | 199 Ų | 199 | 134 Ų | 134 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -80.9 | 96.1 | 171.3 | -73.6 | -175.7 | 176.3 | -179.7 | 0 | 110.4 | Q181 | Q181-K183 PolarHBondContact O-N 2.74Å; Q181-K183 VanDerWaalsContact O-N 3.15Å | ||
| 184 | A | 39.2 | Very low | 47.6 | Very low | 97 Ų | 97 | 130 Ų | 130 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -74.5 | 125.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P182 | P182-A184 PolarHBondContact O-N 3.34Š| ||
| 185 | L | 45 | Very low | 46.7 | Very low | 157 Ų | 157 | 132 Ų | 132 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -157 | 102.3 | 168.2 | -117.6 | 162.8 | 0 | 0 | 0 | 111.8 | ||||
| 186 | S | 41.3 | Very low | 46 | Very low | 102 Ų | 102 | 130.5 Ų | 130.5 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | 39.6 | 91.7 | 148.6 | -52.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 187 | Q | 40.2 | Very low | 45.4 | Very low | 183 Ų | 183 | 131 Ų | 131 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | 19.4 | 113.4 | 123.8 | -173.6 | -175.2 | 91.3 | 0 | 0 | 118 | |||||
| 188 | T | 37.8 | Very low | 45 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | trans | -152.9 | 137.6 | 144.9 | -71.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 189 | V | 38.5 | Very low | 44.6 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -120.2 | 136.8 | -177.7 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 190 | P | 44.6 | Very low | 44.3 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | -132.5 | 155.1 | 124.1 | 19.8 | -0.9 | 0 | 0 | 0 | 113.4 | |||||
| 191 | S | 41.5 | Very low | 44.1 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -77.7 | 177.5 | -173.5 | -44.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 192 | S | 43.2 | Very low | 43.6 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | 91.5 | 139.7 | 153.9 | -51 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 193 | G | 42 | Very low | 43 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 138.1 | 78.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 194 | T | 47.4 | Very low | 42.5 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -87.5 | 140.4 | 159.6 | 171 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 195 | N | 44.2 | Very low | 42.3 | Very low | 162 Ų | 162 | 126.7 Ų | 126.7 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | 177.5 | 150.8 | 150.8 | -86.5 | -28.2 | 0 | 0 | 0 | 107.3 | ||||
| 196 | G | 42.6 | Very low | 42 | Very low | 65 Ų | 65 | 124.2 Ų | 124.2 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | cis | 127.9 | 84.7 | 10.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 197 | V | 46.3 | Very low | 42 | Very low | 148 Ų | 148 | 126 Ų | 126 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | -81.3 | 140.9 | -178.3 | 84.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 198 | S | 43.3 | Very low | 42.2 | Very low | 107 Ų | 107 | 122.8 Ų | 122.8 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -145 | 144.8 | -179.8 | -67.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 199 | L | 40.7 | Very low | 42.2 | Very low | 172 Ų | 172 | 121.1 Ų | 121.1 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | trans | -76.5 | 139.6 | 179.2 | -64.3 | 119.3 | 0 | 0 | 0 | 110.6 | ||||
| 200 | P | 45.4 | Very low | 42.4 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | trans | -85.7 | 132.3 | 168.1 | 33.3 | -30.8 | 0 | 0 | 0 | 110.8 | ||||
| 201 | A | 49.2 | Very low | 42.1 | Very low | 91 Ų | 91 | 120 Ų | 120 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | trans | -147.6 | 127 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 202 | D | 42.6 | Very low | 42.6 | Very low | 165 Ų | 165 | 120.4 Ų | 120.4 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | 47 | 128.6 | 164.6 | -57.8 | -39.8 | 0 | 0 | 0 | 121.6 | ||||
| 203 | C | 36.9 | Very low | 42.6 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 89% | 0.885 | 82% | 0.823 | S | S | * | * | trans | -104.8 | 153.9 | 176.9 | -53 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 204 | T | 41.5 | Very low | 42.4 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 90% | 0.896 | 82% | 0.822 | S | S | * | * | trans | -133.5 | 120.6 | 168.3 | 29.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 205 | G | 34.7 | Very low | 42.1 | Very low | 85 Ų | 85 | 121.3 Ų | 121.3 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | 72.4 | 94 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 206 | A | 38.1 | Very low | 41.8 | Very low | 106 Ų | 106 | 117.2 Ų | 117.2 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -160.4 | 143.3 | 136.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 207 | V | 41.9 | Very low | 41.5 | Very low | 140 Ų | 140 | 124 Ų | 124 | 85% | 0.848 | 81% | 0.81 | S | S | * | * | trans | -144.6 | 149.1 | -174.1 | 154.7 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 208 | P | 43.7 | Very low | 41.1 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | cis | -144.6 | -179.5 | 29.7 | 36 | -13 | 0 | 0 | 0 | 119.4 | ||||
| 209 | A | 38.6 | Very low | 40.7 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | 83.2 | 158 | 137.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 210 | A | 42.3 | Very low | 40.7 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | 85.5 | 107.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 211 | S | 38.1 | Very low | 40.2 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | -92.1 | 177.7 | 166.1 | -34.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 212 | P | 52.8 | Low | 39.7 | Very low | 109 Ų | 109 | 129.1 Ų | 129.1 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | -147.2 | 172.4 | 55.5 | 40.5 | -19.6 | 0 | 0 | 0 | 118.1 | |||||
| 213 | D | 41.8 | Very low | 39.6 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | 38.6 | 141.3 | 142.7 | -56.9 | -22.8 | 0 | 0 | 0 | 122.2 | ||||
| 214 | T | 39 | Very low | 39.6 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | cis | -154 | 178 | 8.5 | 2.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 215 | A | 39.9 | Very low | 39.5 | Very low | 80 Ų | 80 | 123.8 Ų | 123.8 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | cis | -149 | 161.7 | 5.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 216 | A | 38.9 | Very low | 39.7 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | 67.6 | 127.7 | 65.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 217 | W | 36.7 | Very low | 39.8 | Very low | 208 Ų | 208 | 128.2 Ų | 128.2 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | cis | -137.5 | 127.2 | 17.2 | -71.9 | 71.9 | 0 | 0 | 0 | 111.7 | ||||
| 218 | R | 36.2 | Very low | 39.6 | Very low | 211 Ų | 211 | 129.7 Ų | 129.7 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | 78 | 123.1 | 94.4 | -64.2 | -154.7 | -160.3 | -160.2 | 4.3 | 118.3 | |||||
| 219 | S | 36.3 | Very low | 39 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -84.5 | -175.8 | 154.3 | -45.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 220 | P | 41.1 | Very low | 39 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 83% | 0.831 | 75% | 0.753 | S | S | * | * | -149.2 | -179.1 | 92.7 | 40.6 | -23.3 | 0 | 0 | 0 | 116 | |||||
| 221 | S | 34.4 | Very low | 38.9 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -119.9 | 171 | 172.9 | -48.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 222 | E | 37.6 | Very low | 39 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 91% | 0.911 | 74% | 0.739 | S | S | * | * | trans | 156.6 | 166.3 | 135.7 | -85.6 | -170.4 | 127.5 | 0 | 0 | 114.3 | ||||
| 223 | A | 41.4 | Very low | 38.2 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | trans | 69.9 | 136.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 224 | A | 37.2 | Very low | 38.1 | Very low | 81 Ų | 81 | 136.9 Ų | 136.9 | 67% | 0.669 | 74% | 0.735 | S | S | * | * | cis | 89.1 | 137.8 | 29.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 225 | D | 38.4 | Very low | 38.5 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | cis | -163.9 | 178 | -6.7 | -88 | -22.4 | 0 | 0 | 0 | 106.7 | ||||
| 226 | E | 39 | Very low | 38.4 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | cis | -165.1 | 178.5 | 1.9 | -130.3 | -70.6 | 75 | 0 | 0 | 110.5 | ||||
| 227 | E | 40 | Very low | 38.5 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 58% | 0.579 | 76% | 0.758 | S | S | * | * | trans | 83.7 | 124.9 | 150.9 | -76.7 | -151.2 | 141.9 | 0 | 0 | 124.4 | ||||
| 228 | K | 37.8 | Very low | 38.5 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | trans | 94.5 | 130.1 | 130.7 | -81.5 | 174.3 | -177.8 | 138.9 | 0 | 126 | ||||
| 229 | E | 31.6 | Very low | 38.8 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | trans | -64.6 | -175 | 163.4 | -125.5 | -142.5 | 108.7 | 0 | 0 | 113.3 | Q231 | E229-Q231 PolarHBondContact OE1-N 2.87Å; E229-Q231 VanDerWaalsContact OE1-N 3.16Å | ||
| 230 | P | 38.6 | Very low | 39.2 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 58% | 0.578 | 76% | 0.757 | S | S | * | * | cis | -148.4 | 177.2 | 25.9 | 45.2 | -24.7 | 0 | 0 | 0 | 121.3 | ||||
| 231 | Q | 40.5 | Very low | 39.3 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 67% | 0.673 | 76% | 0.76 | S | S | * | * | trans | 69.4 | 158.1 | 151.1 | -79.4 | 172.5 | 40.3 | 0 | 0 | 118.8 | E229 | E229-Q231 PolarHBondContact OE1-N 2.87Å; E229-Q231 VanDerWaalsContact OE1-N 3.16Å | ||
| 232 | K | 39.7 | Very low | 39.6 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | cis | -161.5 | 148.3 | 10.2 | -135.7 | 167.8 | -179 | 168.4 | 0 | 112.6 | ||||
| 233 | N | 36.2 | Very low | 39.7 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 63% | 0.626 | 76% | 0.758 | S | S | * | * | trans | 48.9 | 158.1 | 143 | -69 | 24.4 | 0 | 0 | 0 | 121.4 | ||||
| 234 | E | 40.1 | Very low | 39.4 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | cis | -164.2 | 136.6 | -8.9 | -115.3 | 166.5 | 127.4 | 0 | 0 | 109.2 | ||||
| 235 | S | 47.5 | Very low | 39.3 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -179.8 | 131.2 | 145.8 | 58.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 236 | S | 36.4 | Very low | 39.1 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -124.2 | 144 | -178.9 | 57 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 237 | N | 41.4 | Very low | 39.1 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 94% | 0.941 | 77% | 0.769 | S | S | * | * | trans | -153.4 | 152.3 | 149.9 | -96.5 | -34.1 | 0 | 0 | 0 | 108.8 | ||||
| 238 | A | 36.5 | Very low | 39.1 | Very low | 101 Ų | 101 | 147 Ų | 147 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -142.8 | 146.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 239 | S | 43.7 | Very low | 39.2 | Very low | 98 Ų | 98 | 145 Ų | 145 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -164.4 | 125.1 | 163.6 | 54.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 240 | E | 44.4 | Very low | 39.7 | Very low | 175 Ų | 175 | 141.8 Ų | 141.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 27.5 | 112.9 | 151 | -65.3 | 114.4 | -129.1 | 0 | 0 | 119.3 | ||||
| 241 | E | 41.9 | Very low | 39.9 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | 75.5 | 94 | 75.6 | -74.5 | -163.4 | 170.3 | 0 | 0 | 115.5 | |||||
| 242 | E | 41.9 | Very low | 40.2 | Very low | 196 Ų | 196 | 146.1 Ų | 146.1 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | trans | -163.3 | 160.1 | 143.1 | -109.9 | -83.6 | 73.4 | 0 | 0 | 108.4 | ||||
| 243 | A | 39.5 | Very low | 41.2 | Very low | 85 Ų | 85 | 147.1 Ų | 147.1 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -123.4 | 177 | -155.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 244 | C | 34.1 | Very low | 42.3 | Very low | 115 Ų | 115 | 145.8 Ų | 145.8 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | 84.7 | 105.7 | 160.9 | -102.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 245 | E | 35.5 | Very low | 44.1 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | 65 | 116.2 | 133.1 | -64.1 | -162.2 | 137.6 | 0 | 0 | 122.7 | ||||
| 246 | K | 34.3 | Very low | 45.6 | Very low | 203 Ų | 203 | 142.9 Ų | 142.9 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | trans | -59.3 | 153.6 | 151.3 | -61.5 | 170.1 | 177.5 | 174.2 | 0 | 111 | ||||
| 247 | K | 39.6 | Very low | 47.1 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -143.8 | 132.6 | 157.1 | -142.1 | 156.1 | -165.6 | 147.9 | 0 | 111.8 | ||||
| 248 | D | 38.8 | Very low | 48.8 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 155.8 | -175 | -68.5 | -83.9 | 0 | 0 | 0 | 113.8 | A250 | D248-A250 PolarHBondContact O-N 2.95Š|
| 249 | P | 40.3 | Very low | 50.8 | Low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 119.1 | 178.3 | 25.9 | -34.9 | 0 | 0 | 0 | 111.2 | ||
| 250 | A | 41.9 | Very low | 52.1 | Low | 98 Ų | 98 | 140.1 Ų | 140.1 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 136 | -174 | 0 | 0 | 0 | 0 | 0 | 113.2 | D248 | D248-A250 PolarHBondContact O-N 2.95Š|
| 251 | T | 44.2 | Very low | 53.4 | Low | 131 Ų | 131 | 136 Ų | 136 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 134.3 | 176.9 | -47.2 | 0 | 0 | 0 | 0 | 112.2 | Q253 | T251-Q253 PolarHBondContact O-N 3.17Š|
| 252 | Q | 47.3 | Very low | 54.9 | Low | 194 Ų | 194 | 137.8 Ų | 137.8 | 91% | 0.907 | 73% | 0.729 | S | S | * | * | trans | -61.9 | 99.8 | 175.9 | -68.1 | 180 | -9.7 | 0 | 0 | 111.1 | A254 | Q252-A254 PolarHBondContact O-N 2.74Š| ||
| 253 | Q | 59.2 | Low | 56.2 | Low | 176 Ų | 176 | 134.3 Ų | 134.3 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | -69.2 | 125.9 | 169.4 | -66.8 | -172.5 | 4.5 | 0 | 0 | 109.4 | T251 | T251-Q253 PolarHBondContact O-N 3.17Š| ||
| 254 | A | 59.6 | Low | 57.6 | Low | 90 Ų | 90 | 135.9 Ų | 135.9 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | trans | -62.5 | 136.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q252 V256 | Q252-A254 PolarHBondContact O-N 2.74Å; A254-V256 PolarHBondContact O-N 3.19Å | ||
| 255 | F | 78.1 | Confident | 59.1 | Low | 160 Ų | 160 | 134.9 Ų | 134.9 | 70% | 0.702 | 70% | 0.695 | S | S | * | * | trans | -68.7 | 105.5 | 179.5 | -178.2 | -85.1 | 0 | 0 | 0 | 110.7 | F257 | F255-F257 HydrophobicContact CE1-CB 4.24Å; F255-F257 HydrophobicContact CE1-CD2 4.36Å | ||
| 256 | V | 78.9 | Confident | 60.2 | Low | 74 Ų | 74 | 135.9 Ų | 135.9 | 45% | 0.448 | 70% | 0.697 | S | S | . | * | trans | -95 | 124.9 | 166.7 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | A254 Q259 R264 | A254-V256 PolarHBondContact O-N 3.19Å; V256-Q259 HydrophobicContact CB-CB 3.97Å; V256-Q259 HydrophobicContact CG1-CB 3.99Å; V256-R264 PolarHBondContact O-NH2 3.49Å | ||
| 257 | F | 68.9 | Low | 60.9 | Low | 184 Ų | 184 | 132.4 Ų | 132.4 | 81% | 0.807 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 131.9 | 176 | -176 | -97.3 | 0 | 0 | 0 | 110.3 | F255 Q259 | F255-F257 HydrophobicContact CE1-CB 4.24Å; F255-F257 HydrophobicContact CE1-CD2 4.36Å; F257-Q259 VanDerWaalsContact C-N 3.31Å; F257-Q259 PolarHBondContact O-N 2.97Å |
| 258 | G | 75.4 | Confident | 61.1 | Low | 48 Ų | 48 | 130.8 Ų | 130.8 | 50% | 0.495 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 82.5 | -14.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 259 | Q | 79.3 | Confident | 61.3 | Low | 107 Ų | 107 | 130.4 Ų | 130.4 | 50% | 0.5 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.4 | 149.2 | 176.8 | -167.3 | 158.6 | 32.2 | 0 | 0 | 111.6 | V256 F257 L261 R264 | V256-Q259 HydrophobicContact CB-CB 3.97Å; V256-Q259 HydrophobicContact CG1-CB 3.99Å; F257-Q259 VanDerWaalsContact C-N 3.31Å; F257-Q259 PolarHBondContact O-N 2.97Å; Q259-L261 PolarHBondContact O-N 2.92Å; Q259-L261 VanDerWaalsContact O-N 3.14Å; Q259-R264 PolarHBondContact O-NE 3.04Å; Q259-R264 PolarHBondContact O-NH2 2.97Å |
| 260 | N | 70.2 | Confident | 61.5 | Low | 88 Ų | 88 | 132.8 Ų | 132.8 | 47% | 0.471 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 53.6 | 33.9 | 176.8 | -62.3 | 7 | 0 | 0 | 0 | 113.6 | R262 D263 R264 | N260-R262 VanDerWaalsContact C-N 3.28Å; N260-R262 PolarHBondContact O-N 2.78Å; N260-D263 WeakPolarHBondContact CA-OD2 3.21Å; N260-D263 HydrophobicContact CB-CB 4.41Å; N260-D263 WeakPolarHBondContact CB-OD2 3.23Å; N260-D263 PolarHBondContact O-N 3.38Å; N260-R264 WeakPolarHBondContact O-CG 3.46Å; N260-R264 PolarHBondContact O-N 3.07Å; N260-R264 VanDerWaalsContact O-N 3.13Å |
| 261 | L | 72.7 | Confident | 61.3 | Low | 88 Ų | 88 | 133.4 Ų | 133.4 | 46% | 0.461 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -63.9 | -34.8 | -174.9 | -158.1 | 73.5 | 0 | 0 | 0 | 111.9 | Q259 D263 R264 V265 | Q259-L261 PolarHBondContact O-N 2.92Å; Q259-L261 VanDerWaalsContact O-N 3.14Å; L261-D263 VanDerWaalsContact C-N 3.33Å; L261-D263 PolarHBondContact O-N 3.18Å; L261-R264 PolarHBondContact O-N 3.06Å; L261-V265 WeakPolarHBondContact O-CG2 3.44Å; L261-V265 PolarHBondContact O-N 3.48Å |
| 262 | R | 72.8 | Confident | 61.5 | Low | 228 Ų | 228 | 133.8 Ų | 133.8 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -61.5 | -41.3 | 175.4 | -63.7 | 178.3 | -178.1 | 176.2 | -2.8 | 111.7 | N260 R264 V265 | N260-R262 VanDerWaalsContact C-N 3.28Å; N260-R262 PolarHBondContact O-N 2.78Å; R262-R264 VanDerWaalsContact C-N 3.32Å; R262-V265 PolarHBondContact O-N 3.17Å |
| 263 | D | 70.8 | Confident | 61.2 | Low | 123 Ų | 123 | 131.2 Ų | 131.2 | 66% | 0.658 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -77.3 | -22.4 | -176.7 | -35.6 | -62.7 | 0 | 0 | 0 | 111.8 | N260 L261 | N260-D263 WeakPolarHBondContact CA-OD2 3.21Å; N260-D263 HydrophobicContact CB-CB 4.41Å; N260-D263 WeakPolarHBondContact CB-OD2 3.23Å; N260-D263 PolarHBondContact O-N 3.38Å; L261-D263 VanDerWaalsContact C-N 3.33Å; L261-D263 PolarHBondContact O-N 3.18Å |
| 264 | R | 67.9 | Low | 60.1 | Low | 118 Ų | 118 | 132 Ų | 132 | 45% | 0.445 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -87.2 | -24.1 | 174.3 | -64.6 | -171.3 | -128.3 | -160.8 | 6.3 | 113.6 | V256 Q259 N260 L261 R262 K266 | V256-R264 PolarHBondContact O-NH2 3.49Å; Q259-R264 PolarHBondContact O-NE 3.04Å; Q259-R264 PolarHBondContact O-NH2 2.97Å; N260-R264 WeakPolarHBondContact O-CG 3.46Å; N260-R264 PolarHBondContact O-N 3.07Å; N260-R264 VanDerWaalsContact O-N 3.13Å; L261-R264 PolarHBondContact O-N 3.06Å; R262-R264 VanDerWaalsContact C-N 3.32Å; R264-K266 PolarHBondContact O-N 3.04Å |
| 265 | V | 65.5 | Low | 59.2 | Low | 95 Ų | 95 | 132.1 Ų | 132.1 | 58% | 0.576 | 68% | 0.681 | S | S | * | * | trans | -83.2 | 72.9 | 173 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | L261 R262 L267 | L261-V265 WeakPolarHBondContact O-CG2 3.44Å; L261-V265 PolarHBondContact O-N 3.48Å; R262-V265 PolarHBondContact O-N 3.17Å; V265-L267 PolarHBondContact O-N 2.79Å; V265-L267 VanDerWaalsContact O-N 3.16Å | ||
| 266 | K | 59.2 | Low | 57.3 | Low | 189 Ų | 189 | 132 Ų | 132 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | trans | -73.6 | 103.7 | 171.1 | -167 | 177.1 | -175.3 | -175.7 | 0 | 108.5 | R264 I268 | R264-K266 PolarHBondContact O-N 3.04Å; K266-I268 PolarHBondContact O-N 3.18Å | ||
| 267 | L | 48.9 | Very low | 55.9 | Low | 129 Ų | 129 | 135.2 Ų | 135.2 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | trans | -59.7 | 130.7 | 176.8 | -133.1 | 80 | 0 | 0 | 0 | 109.8 | V265 N269 | V265-L267 PolarHBondContact O-N 2.79Å; V265-L267 VanDerWaalsContact O-N 3.16Å; L267-N269 VanDerWaalsContact C-N 3.33Å; L267-N269 HydrophobicContact CD2-CB 4.46Å; L267-N269 PolarHBondContact O-N 3.39Å | ||
| 268 | I | 43.9 | Very low | 54.3 | Low | 156 Ų | 156 | 134.6 Ų | 134.6 | 80% | 0.8 | 70% | 0.699 | S | S | * | * | trans | -88.7 | 82.7 | 168.6 | -56.2 | 166.6 | 0 | 0 | 0 | 106.5 | K266 | K266-I268 PolarHBondContact O-N 3.18Š| ||
| 269 | N | 42.2 | Very low | 52.4 | Low | 137 Ų | 137 | 140.2 Ų | 140.2 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | -116.3 | 106.8 | 165.9 | -114.3 | 70.1 | 0 | 0 | 0 | 106 | L267 | L267-N269 VanDerWaalsContact C-N 3.33Å; L267-N269 HydrophobicContact CD2-CB 4.46Å; L267-N269 PolarHBondContact O-N 3.39Å | ||
| 270 | E | 45 | Very low | 50.2 | Low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -73.4 | 137.5 | -177.6 | -66.2 | 177.1 | 120.3 | 0 | 0 | 110.3 | ||||
| 271 | S | 37.7 | Very low | 48.4 | Very low | 111 Ų | 111 | 139 Ų | 139 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -80.5 | 124.5 | 173.8 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 272 | V | 47.9 | Very low | 46.6 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | trans | -126 | 130 | 164.2 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 273 | D | 40.3 | Very low | 45 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | trans | -79.9 | 158.5 | -172.5 | -67.3 | -78.2 | 0 | 0 | 0 | 114 | ||||
| 274 | E | 37.9 | Very low | 43.2 | Very low | 191 Ų | 191 | 138.3 Ų | 138.3 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 29.5 | 151.6 | 154.8 | -59.3 | -163.1 | 131.7 | 0 | 0 | 123.7 | ||||
| 275 | A | 39.7 | Very low | 41.6 | Very low | 94 Ų | 94 | 137 Ų | 137 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | 94.1 | 95.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 276 | D | 39 | Very low | 40.2 | Very low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | 90.8 | 148.6 | 124.9 | -117.5 | -31.9 | 0 | 0 | 0 | 123.4 | |||||
| 277 | M | 48.2 | Very low | 39.2 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | trans | 45.1 | 105.6 | 166.8 | -60.3 | -151.3 | 74.1 | 0 | 0 | 122.3 | ||||
| 278 | E | 36.6 | Very low | 38.7 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | 29.2 | 111 | 119.3 | -55.3 | -176.6 | 150.5 | 0 | 0 | 119.9 | |||||
| 279 | N | 34.5 | Very low | 38.6 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | -172.9 | 167.7 | 105.4 | -148.1 | -24 | 0 | 0 | 0 | 111.4 | |||||
| 280 | A | 33.8 | Very low | 38.7 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | trans | -87.4 | 144.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 281 | G | 31.1 | Very low | 39 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -173.9 | 126.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 282 | H | 36.2 | Very low | 40.1 | Very low | 191 Ų | 191 | 128.2 Ų | 128.2 | 88% | 0.884 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 142.4 | 174.8 | -80.4 | -101.2 | 0 | 0 | 0 | 112.2 | ||
| 283 | P | 38.2 | Very low | 41.1 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 124.2 | 143.8 | 32.8 | -26.1 | 0 | 0 | 0 | 110.2 | ||
| 284 | S | 33.7 | Very low | 42.2 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 161.5 | 168.3 | -66 | 0 | 0 | 0 | 0 | 111.1 | ||
| 285 | A | 34.3 | Very low | 43.8 | Very low | 89 Ų | 89 | 127.4 Ų | 127.4 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 145.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 286 | D | 35.9 | Very low | 45.2 | Very low | 158 Ų | 158 | 127.9 Ų | 127.9 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | -175.8 | 106.1 | 122.2 | -96 | -22.3 | 0 | 0 | 0 | 111.8 | |||||
| 287 | T | 38.9 | Very low | 46.6 | Very low | 129 Ų | 129 | 128 Ų | 128 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | trans | -164.9 | 127 | 155.9 | -5.3 | 0 | 0 | 0 | 0 | 110 | T289 | T287-T289 PolarHBondContact O-N 3.18Š| ||
| 288 | P | 38.3 | Very low | 47.8 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | trans | -75.6 | 102.4 | -176.9 | 29.4 | -33.7 | 0 | 0 | 0 | 110.6 | A290 | P288-A290 PolarHBondContact O-N 3.44Š| ||
| 289 | T | 42.3 | Very low | 49.4 | Very low | 115 Ų | 115 | 120.6 Ų | 120.6 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | -61.6 | 123.9 | 174.2 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | T287 T291 | T287-T289 PolarHBondContact O-N 3.18Å; T289-T291 WeakPolarHBondContact CG2-OG1 3.35Å; T289-T291 PolarHBondContact O-N 3.48Å; T289-T291 PolarHBondContact O-OG1 3.13Å | ||
| 290 | A | 43.9 | Very low | 50.6 | Low | 102 Ų | 102 | 116 Ų | 116 | 84% | 0.843 | 68% | 0.68 | S | S | * | * | trans | -73.5 | 69.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P288 N292 | P288-A290 PolarHBondContact O-N 3.44Å; A290-N292 PolarHBondContact O-N 3.43Å | ||
| 291 | T | 50.7 | Low | 51.8 | Low | 66 Ų | 66 | 115.2 Ų | 115.2 | 41% | 0.405 | 67% | 0.669 | S | S | . | * | trans | -64.8 | 111 | -166.8 | -56.1 | 0 | 0 | 0 | 0 | 111 | T289 Y293 Q296 | T289-T291 WeakPolarHBondContact CG2-OG1 3.35Å; T289-T291 PolarHBondContact O-N 3.48Å; T289-T291 PolarHBondContact O-OG1 3.13Å; T291-Y293 PolarHBondContact O-N 3Å; T291-Y293 VanDerWaalsContact O-N 3.12Å; T291-Q296 HydrophobicContact CG2-CB 3.88Å; T291-Q296 HydrophobicContact CG2-CG 4.47Å | ||
| 292 | N | 61.2 | Low | 53.1 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 59% | 0.594 | 67% | 0.668 | S | S | * | * | trans | -63.7 | 112.5 | 171 | -134 | -58.7 | 0 | 0 | 0 | 107.9 | A290 F294 L295 Q296 | A290-N292 PolarHBondContact O-N 3.43Å; N292-F294 PolarHBondContact O-N 3.49Å; N292-L295 HydrophobicContact CB-CD1 4.01Å; N292-L295 HydrophobicContact CB-CG 4.25Å; N292-L295 WeakPolarHBondContact O-CB 3.45Å; N292-L295 PolarHBondContact O-N 3.04Å; N292-Q296 PolarHBondContact O-N 3.42Å | ||
| 293 | Y | 67.6 | Low | 54 | Low | 201 Ų | 201 | 117.1 Ų | 117.1 | 79% | 0.788 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -48.3 | -32.7 | -174.4 | -87.8 | -93.1 | 0 | 0 | 0 | 113.7 | T291 Q296 Y297 | T291-Y293 PolarHBondContact O-N 3Å; T291-Y293 VanDerWaalsContact O-N 3.12Å; Y293-Q296 PolarHBondContact O-N 3.04Å; Y293-Y297 PolarHBondContact O-N 3.23Å |
| 294 | F | 64.7 | Low | 54.4 | Low | 142 Ų | 142 | 118.3 Ų | 118.3 | 62% | 0.623 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -63.8 | -36.9 | 177.3 | -166.8 | -99.5 | 0 | 0 | 0 | 113.7 | N292 I298 | N292-F294 PolarHBondContact O-N 3.49Å; F294-I298 HydrophobicContact CD1-CD1 3.93Å; F294-I298 HydrophobicContact CE1-CD1 3.64Å; F294-I298 HydrophobicContact CZ-CD1 4.33Å; F294-I298 WeakPolarHBondContact O-CG1 3.36Å; F294-I298 PolarHBondContact O-N 2.9Å |
| 295 | L | 72 | Confident | 54.7 | Low | 109 Ų | 109 | 117.3 Ų | 117.3 | 57% | 0.571 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71 | -42.7 | 176.4 | -67.5 | 172 | 0 | 0 | 0 | 111 | N292 Y297 I298 S299 | N292-L295 HydrophobicContact CB-CD1 4.01Å; N292-L295 HydrophobicContact CB-CG 4.25Å; N292-L295 WeakPolarHBondContact O-CB 3.45Å; N292-L295 PolarHBondContact O-N 3.04Å; L295-Y297 VanDerWaalsContact C-N 3.32Å; L295-Y297 PolarHBondContact O-N 3.3Å; L295-I298 PolarHBondContact O-N 3.4Å; L295-I298 VanDerWaalsContact O-N 3.12Å; L295-S299 PolarHBondContact O-N 2.83Å; L295-S299 PolarHBondContact O-OG 3.42Å |
| 296 | Q | 67.8 | Low | 55.1 | Low | 104 Ų | 104 | 119.1 Ų | 119.1 | 49% | 0.486 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -59 | -43.9 | -179.8 | -168.9 | 169.2 | 4.1 | 0 | 0 | 111.7 | T291 N292 Y293 I298 S299 S300 | T291-Q296 HydrophobicContact CG2-CB 3.88Å; T291-Q296 HydrophobicContact CG2-CG 4.47Å; N292-Q296 PolarHBondContact O-N 3.42Å; Y293-Q296 PolarHBondContact O-N 3.04Å; Q296-I298 VanDerWaalsContact C-N 3.32Å; Q296-I298 PolarHBondContact O-N 3.03Å; Q296-S299 PolarHBondContact O-N 2.95Å; Q296-S300 PolarHBondContact O-N 2.92Å; Q296-S300 PolarHBondContact O-OG 3.42Å; Q296-S300 VanDerWaalsContact O-OG 3.05Å |
| 297 | Y | 69.7 | Low | 55.4 | Low | 160 Ų | 160 | 119.2 Ų | 119.2 | 63% | 0.627 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -62.7 | -35.4 | 177 | -173.3 | -102.6 | 0 | 0 | 0 | 113.4 | Y293 L295 S301 | Y293-Y297 PolarHBondContact O-N 3.23Å; L295-Y297 VanDerWaalsContact C-N 3.32Å; L295-Y297 PolarHBondContact O-N 3.3Å; Y297-S301 PolarHBondContact O-N 3.32Å |
| 298 | I | 72.1 | Confident | 55.5 | Low | 89 Ų | 89 | 118.5 Ų | 118.5 | 46% | 0.456 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -68.2 | -45.2 | 176.4 | -68.2 | 170.5 | 0 | 0 | 0 | 110.5 | F294 L295 Q296 S301 | F294-I298 HydrophobicContact CD1-CD1 3.93Å; F294-I298 HydrophobicContact CE1-CD1 3.64Å; F294-I298 HydrophobicContact CZ-CD1 4.33Å; F294-I298 WeakPolarHBondContact O-CG1 3.36Å; F294-I298 PolarHBondContact O-N 2.9Å; L295-I298 PolarHBondContact O-N 3.4Å; L295-I298 VanDerWaalsContact O-N 3.12Å; Q296-I298 VanDerWaalsContact C-N 3.32Å; Q296-I298 PolarHBondContact O-N 3.03Å; I298-S301 PolarHBondContact O-N 2.98Å |
| 299 | S | 70 | Confident | 55.2 | Low | 67 Ų | 67 | 117.7 Ų | 117.7 | 47% | 0.469 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -62.1 | -46.4 | 176.2 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | L295 Q296 S301 L302 | L295-S299 PolarHBondContact O-N 2.83Å; L295-S299 PolarHBondContact O-OG 3.42Å; Q296-S299 PolarHBondContact O-N 2.95Å; S299-S301 PolarHBondContact O-N 3.45Å; S299-S301 VanDerWaalsContact O-N 3.11Å; S299-L302 WeakPolarHBondContact O-CB 3.49Å; S299-L302 PolarHBondContact O-N 2.91Å |
| 300 | S | 59.3 | Low | 55.1 | Low | 71 Ų | 71 | 119.6 Ų | 119.6 | 50% | 0.497 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -59.9 | -23.4 | 178.1 | -61.2 | 0 | 0 | 0 | 0 | 114 | Q296 | Q296-S300 PolarHBondContact O-N 2.92Å; Q296-S300 PolarHBondContact O-OG 3.42Å; Q296-S300 VanDerWaalsContact O-OG 3.05Å |
| 301 | S | 59.5 | Low | 54.7 | Low | 80 Ų | 80 | 119.2 Ų | 119.2 | 56% | 0.559 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -16 | 175.3 | -173.6 | 0 | 0 | 0 | 0 | 113.8 | Y297 I298 S299 | Y297-S301 PolarHBondContact O-N 3.32Å; I298-S301 PolarHBondContact O-N 2.98Å; S299-S301 PolarHBondContact O-N 3.45Å; S299-S301 VanDerWaalsContact O-N 3.11Å |
| 302 | L | 59.3 | Low | 54.5 | Low | 141 Ų | 141 | 120.5 Ų | 120.5 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -35.8 | -173.3 | -170.4 | 60.5 | 0 | 0 | 0 | 112.3 | S299 N304 | S299-L302 WeakPolarHBondContact O-CB 3.49Å; S299-L302 PolarHBondContact O-N 2.91Å; L302-N304 VanDerWaalsContact C-N 3.29Å; L302-N304 PolarHBondContact O-N 3.05Å |
| 303 | E | 54.2 | Low | 53.6 | Low | 162 Ų | 162 | 120.7 Ų | 120.7 | 76% | 0.757 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -13.7 | -171.9 | -62.4 | 176.7 | 156.7 | 0 | 0 | 113.7 | ||
| 304 | N | 47.4 | Very low | 53.2 | Low | 146 Ų | 146 | 118.2 Ų | 118.2 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 16.2 | -170 | -143.4 | 106.5 | 0 | 0 | 0 | 114.6 | L302 | L302-N304 VanDerWaalsContact C-N 3.29Å; L302-N304 PolarHBondContact O-N 3.05Å |
| 305 | S | 40.7 | Very low | 53.3 | Low | 92 Ų | 92 | 120.1 Ų | 120.1 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | trans | -106.6 | 11.3 | -169.4 | -62.7 | 0 | 0 | 0 | 0 | 115.7 | N307 | S305-N307 PolarHBondContact O-N 3.28Š| ||
| 306 | T | 41.9 | Very low | 53.3 | Low | 128 Ų | 128 | 121.2 Ų | 121.2 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -96.4 | 35.2 | -175.7 | 47.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 307 | N | 42.6 | Very low | 53.9 | Low | 159 Ų | 159 | 119.8 Ų | 119.8 | 85% | 0.85 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -155 | 151.6 | 169.3 | -97.7 | -54.1 | 0 | 0 | 0 | 112.5 | S305 | S305-N307 PolarHBondContact O-N 3.28Š|
| 308 | S | 39.4 | Very low | 54.2 | Low | 115 Ų | 115 | 120.5 Ų | 120.5 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | 62.2 | 98.4 | 176.8 | -156.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 309 | A | 33.9 | Very low | 54.5 | Low | 111 Ų | 111 | 118.1 Ų | 118.1 | 92% | 0.917 | 70% | 0.698 | S | S | * | * | trans | -87.4 | 105.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 310 | D | 40.2 | Very low | 55 | Low | 156 Ų | 156 | 120 Ų | 120 | 83% | 0.834 | 70% | 0.699 | S | S | * | * | trans | -147.6 | 161.5 | 164.9 | -144.2 | -25.5 | 0 | 0 | 0 | 111.9 | S312 | D310-S312 PolarHBondContact O-N 3.45Š| ||
| 311 | A | 34.9 | Very low | 55.9 | Low | 93 Ų | 93 | 120.2 Ų | 120.2 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -94.7 | 97.1 | -151.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 312 | S | 46.4 | Very low | 56.7 | Low | 93 Ų | 93 | 121.4 Ų | 121.4 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | trans | -166.7 | 111.4 | 143 | 48.9 | 0 | 0 | 0 | 0 | 113 | D310 N314 | D310-S312 PolarHBondContact O-N 3.45Å; S312-N314 VanDerWaalsContact C-N 3.34Å; S312-N314 PolarHBondContact O-N 2.9Å | ||
| 313 | S | 42.3 | Very low | 57.6 | Low | 116 Ų | 116 | 118.5 Ų | 118.5 | 81% | 0.811 | 68% | 0.684 | S | S | * | * | trans | -82.3 | 72.1 | -178.2 | 66.2 | 0 | 0 | 0 | 0 | 112.7 | K315 | S313-K315 VanDerWaalsContact C-N 3.32Å; S313-K315 PolarHBondContact O-N 3.24Å | ||
| 314 | N | 58.4 | Low | 58.4 | Low | 148 Ų | 148 | 116.5 Ų | 116.5 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -68.9 | 83.9 | 176.2 | -76.1 | -22.7 | 0 | 0 | 0 | 111.6 | S312 F316 | S312-N314 VanDerWaalsContact C-N 3.34Å; S312-N314 PolarHBondContact O-N 2.9Å; N314-F316 PolarHBondContact O-N 3.5Å | ||
| 315 | K | 66.7 | Low | 59.6 | Low | 183 Ų | 183 | 114.9 Ų | 114.9 | 80% | 0.796 | 66% | 0.658 | S | S | * | * | trans | -55.4 | 125.8 | 171.4 | -87.3 | 177.9 | 174 | 171.5 | 0 | 110 | S313 V317 | S313-K315 VanDerWaalsContact C-N 3.32Å; S313-K315 PolarHBondContact O-N 3.24Å; K315-V317 PolarHBondContact O-N 2.95Å; K315-V317 VanDerWaalsContact O-N 3.13Å | ||
| 316 | F | 73.1 | Confident | 60.8 | Low | 132 Ų | 132 | 116.1 Ų | 116.1 | 58% | 0.579 | 66% | 0.661 | S | S | * | * | trans | -58.2 | 116.9 | 169.5 | -179.7 | -77.9 | 0 | 0 | 0 | 109.9 | N314 F318 | N314-F316 PolarHBondContact O-N 3.5Å; F316-F318 HydrophobicContact CE1-CB 4.27Å | ||
| 317 | V | 80.1 | Confident | 62 | Low | 74 Ų | 74 | 116.7 Ų | 116.7 | 45% | 0.448 | 66% | 0.659 | S | S | . | * | trans | -106.6 | 128 | 167.8 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | K315 G319 Q320 R325 | K315-V317 PolarHBondContact O-N 2.95Å; K315-V317 VanDerWaalsContact O-N 3.13Å; V317-G319 PolarHBondContact O-N 3.37Å; V317-Q320 HydrophobicContact CB-CB 3.99Å; V317-Q320 HydrophobicContact CG1-CB 4.37Å; V317-Q320 PolarHBondContact O-N 3Å; V317-R325 PolarHBondContact O-NH2 3.09Å | ||
| 318 | F | 75.1 | Confident | 62.3 | Low | 174 Ų | 174 | 113 Ų | 113 | 76% | 0.763 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 124.4 | 171.9 | -176.7 | -96.2 | 0 | 0 | 0 | 109.1 | F316 | F316-F318 HydrophobicContact CE1-CB 4.27Š|
| 319 | G | 78.3 | Confident | 63 | Low | 40 Ų | 40 | 112.8 Ų | 112.8 | 41% | 0.412 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 102.1 | -25.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V317 | V317-G319 PolarHBondContact O-N 3.37Š|
| 320 | Q | 82 | Confident | 63.9 | Low | 105 Ų | 105 | 113.8 Ų | 113.8 | 49% | 0.491 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | 148.6 | 178.8 | -167.9 | 166.6 | 21.6 | 0 | 0 | 111.6 | V317 M322 R325 | V317-Q320 HydrophobicContact CB-CB 3.99Å; V317-Q320 HydrophobicContact CG1-CB 4.37Å; V317-Q320 PolarHBondContact O-N 3Å; Q320-M322 PolarHBondContact O-N 2.83Å; Q320-R325 VanDerWaalsContact O-CZ 3.29Å; Q320-R325 PolarHBondContact O-NE 2.81Å; Q320-R325 PolarHBondContact O-NH2 3.16Å |
| 321 | N | 76.7 | Confident | 64 | Low | 77 Ų | 77 | 115.6 Ų | 115.6 | 41% | 0.412 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 43.5 | 38.3 | 175.4 | -62.1 | 25.4 | 0 | 0 | 0 | 115.1 | S323 E324 R325 | N321-S323 VanDerWaalsContact C-N 3.27Å; N321-S323 PolarHBondContact O-N 3.49Å; N321-E324 HydrophobicContact CB-CB 4.43Å; N321-E324 WeakPolarHBondContact CB-OE2 3.38Å; N321-E324 PolarHBondContact ND2-OE2 2.93Å; N321-E324 PolarHBondContact O-N 3.04Å; N321-R325 WeakPolarHBondContact O-CG 3.47Å; N321-R325 PolarHBondContact O-N 3.31Å; N321-R325 VanDerWaalsContact O-N 3.07Å |
| 322 | M | 77.2 | Confident | 64.3 | Low | 104 Ų | 104 | 119.1 Ų | 119.1 | 51% | 0.512 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -60.9 | -35.7 | -179.9 | -83.4 | 176.8 | 153.3 | 0 | 0 | 112.5 | Q320 R325 V326 | Q320-M322 PolarHBondContact O-N 2.83Å; M322-R325 PolarHBondContact O-N 3.14Å; M322-V326 VanDerWaalsContact O-CB 3.26Å; M322-V326 WeakPolarHBondContact O-CB 3.09Å; M322-V326 VanDerWaalsContact O-CG2 3.22Å; M322-V326 WeakPolarHBondContact O-CG2 3.33Å; M322-V326 PolarHBondContact O-N 3.28Å |
| 323 | S | 77.1 | Confident | 63.9 | Low | 81 Ų | 81 | 121.7 Ų | 121.7 | 57% | 0.566 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -56.8 | -50.5 | 174.8 | 43 | 0 | 0 | 0 | 0 | 112.6 | N321 L327 | N321-S323 VanDerWaalsContact C-N 3.27Å; N321-S323 PolarHBondContact O-N 3.49Å; S323-L327 VanDerWaalsContact O-CB 3.31Å; S323-L327 WeakPolarHBondContact O-CB 3.28Å; S323-L327 VanDerWaalsContact O-CG 3.26Å; S323-L327 WeakPolarHBondContact O-CG 3.39Å; S323-L327 PolarHBondContact O-N 2.96Å |
| 324 | E | 71.4 | Confident | 63.9 | Low | 119 Ų | 119 | 124.3 Ų | 124.3 | 56% | 0.556 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.9 | -45.6 | 179.8 | -62.3 | 172.1 | 174.5 | 0 | 0 | 111.3 | N321 V326 S328 | N321-E324 HydrophobicContact CB-CB 4.43Å; N321-E324 WeakPolarHBondContact CB-OE2 3.38Å; N321-E324 PolarHBondContact ND2-OE2 2.93Å; N321-E324 PolarHBondContact O-N 3.04Å; E324-V326 PolarHBondContact O-N 3.39Å; E324-S328 WeakPolarHBondContact O-CB 3.45Å; E324-S328 PolarHBondContact O-N 3.13Å |
| 325 | R | 72.6 | Confident | 63.2 | Low | 113 Ų | 113 | 123 Ų | 123 | 43% | 0.426 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -73.7 | -21.3 | -174.7 | -65.2 | -165.7 | -73.7 | -177.6 | 2.1 | 114.5 | V317 Q320 N321 M322 | V317-R325 PolarHBondContact O-NH2 3.09Å; Q320-R325 VanDerWaalsContact O-CZ 3.29Å; Q320-R325 PolarHBondContact O-NE 2.81Å; Q320-R325 PolarHBondContact O-NH2 3.16Å; N321-R325 WeakPolarHBondContact O-CG 3.47Å; N321-R325 PolarHBondContact O-N 3.31Å; N321-R325 VanDerWaalsContact O-N 3.07Å; M322-R325 PolarHBondContact O-N 3.14Å |
| 326 | V | 67.1 | Low | 62.1 | Low | 118 Ų | 118 | 119 Ų | 119 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -96.4 | -28 | 178.4 | 175.4 | 0 | 0 | 0 | 0 | 112.4 | M322 E324 | M322-V326 VanDerWaalsContact O-CB 3.26Å; M322-V326 WeakPolarHBondContact O-CB 3.09Å; M322-V326 VanDerWaalsContact O-CG2 3.22Å; M322-V326 WeakPolarHBondContact O-CG2 3.33Å; M322-V326 PolarHBondContact O-N 3.28Å; E324-V326 PolarHBondContact O-N 3.39Å |
| 327 | L | 65.9 | Low | 60.5 | Low | 139 Ų | 139 | 117.8 Ų | 117.8 | 73% | 0.728 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -95.4 | -8.5 | -176.1 | -59.9 | 176.4 | 0 | 0 | 0 | 114.6 | S323 | S323-L327 VanDerWaalsContact O-CB 3.31Å; S323-L327 WeakPolarHBondContact O-CB 3.28Å; S323-L327 VanDerWaalsContact O-CG 3.26Å; S323-L327 WeakPolarHBondContact O-CG 3.39Å; S323-L327 PolarHBondContact O-N 2.96Å |
| 328 | S | 49.1 | Very low | 58.6 | Low | 82 Ų | 82 | 122 Ų | 122 | 57% | 0.573 | 67% | 0.67 | S | S | * | * | trans | -123 | 104.5 | 179.7 | -63 | 0 | 0 | 0 | 0 | 112.4 | E324 | E324-S328 WeakPolarHBondContact O-CB 3.45Å; E324-S328 PolarHBondContact O-N 3.13Å | ||
| 329 | P | 54.8 | Low | 57.1 | Low | 110 Ų | 110 | 118.2 Ų | 118.2 | 71% | 0.714 | 67% | 0.671 | S | S | * | * | trans | -60.2 | 137 | 166.7 | -21.5 | 33.5 | 0 | 0 | 0 | 110.6 | K331 | P329-K331 PolarHBondContact O-N 3.08Å; P329-K331 VanDerWaalsContact O-N 3.11Å | ||
| 330 | P | 52.5 | Low | 55.4 | Low | 132 Ų | 132 | 123 Ų | 123 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | trans | -62.6 | 115.2 | 177.8 | -22.2 | 33.4 | 0 | 0 | 0 | 111.3 | L332 | P330-L332 PolarHBondContact O-N 2.9Š| ||
| 331 | K | 42.1 | Very low | 53.7 | Low | 194 Ų | 194 | 127.1 Ų | 127.1 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | trans | -75.4 | 101.9 | 168.4 | -71.6 | -172.1 | 176.9 | -178.5 | 0 | 109 | P329 N333 | P329-K331 PolarHBondContact O-N 3.08Å; P329-K331 VanDerWaalsContact O-N 3.11Å; K331-N333 PolarHBondContact O-N 2.89Å | ||
| 332 | L | 42.3 | Very low | 52.1 | Low | 167 Ų | 167 | 129.3 Ų | 129.3 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | trans | -57.6 | 126 | 160.8 | -110.4 | 170.2 | 0 | 0 | 0 | 108.2 | P330 | P330-L332 PolarHBondContact O-N 2.9Š| ||
| 333 | N | 36.5 | Very low | 50.5 | Low | 148 Ų | 148 | 130.9 Ų | 130.9 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -134.2 | 72.1 | -169.5 | -165.5 | 86.3 | 0 | 0 | 0 | 110.5 | K331 | K331-N333 PolarHBondContact O-N 2.89Š| ||
| 334 | E | 43.6 | Very low | 48.7 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | trans | -85.6 | 122 | 173.1 | -71.5 | -153 | 116.1 | 0 | 0 | 112 | ||||
| 335 | V | 43.7 | Very low | 47.1 | Very low | 121 Ų | 121 | 130 Ų | 130 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | 57.5 | 117.3 | 129.5 | 178.5 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 336 | S | 42.5 | Very low | 45.6 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | 108.4 | 105.9 | 155.3 | -55.9 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 337 | S | 40.5 | Very low | 44.6 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 79.3 | 115 | 124.8 | -51.5 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 338 | D | 39.5 | Very low | 43.3 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | trans | -2.9 | 131.4 | 149.9 | -56.5 | -87.2 | 0 | 0 | 0 | 120.2 | ||||
| 339 | A | 44.2 | Very low | 42.8 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | -174.5 | 135.4 | 101.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 340 | N | 42.5 | Very low | 42.1 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | 66.9 | 109.5 | 140.3 | -150.8 | 59.5 | 0 | 0 | 0 | 122 | ||||
| 341 | R | 45.2 | Very low | 41.5 | Very low | 192 Ų | 192 | 133.5 Ų | 133.5 | 73% | 0.725 | 78% | 0.775 | S | S | * | * | 33.9 | 146.8 | 116.9 | -64.2 | -178.2 | 87.6 | 161.8 | 2.9 | 119.8 | |||||
| 342 | E | 43.4 | Very low | 41.3 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 58% | 0.575 | 77% | 0.773 | S | S | * | * | cis | -177 | 170.6 | 2.8 | 162.2 | 176 | 108.3 | 0 | 0 | 110.1 | ||||
| 343 | N | 43.2 | Very low | 41.1 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 72.8 | 126.8 | 179.3 | -58.3 | -48.5 | 0 | 0 | 0 | 115.3 | ||||
| 344 | A | 39.4 | Very low | 41.3 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | cis | 77.8 | 146.2 | 36.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 345 | A | 38.7 | Very low | 41.1 | Very low | 92 Ų | 92 | 124.7 Ų | 124.7 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | cis | -176.3 | 146.4 | -25.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 346 | A | 41.8 | Very low | 40.8 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 63.8 | 164.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 347 | E | 44.4 | Very low | 41.1 | Very low | 182 Ų | 182 | 126.4 Ų | 126.4 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | cis | -134.2 | 176.7 | 2.2 | -74.9 | -169.6 | 129.5 | 0 | 0 | 111.3 | ||||
| 348 | S | 39.4 | Very low | 40.7 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | 34.4 | 139.3 | 143.1 | -151.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 349 | G | 38.6 | Very low | 41.3 | Very low | 66 Ų | 66 | 125.3 Ų | 125.3 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | 178.4 | -156.6 | 11 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 350 | S | 39.9 | Very low | 41.7 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -60.1 | 165.9 | -177.9 | -42.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 351 | E | 40.3 | Very low | 42.5 | Very low | 178 Ų | 178 | 132.4 Ų | 132.4 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | cis | -167 | 159.5 | 29 | 54.8 | -159.1 | 61.7 | 0 | 0 | 115.3 | ||||
| 352 | S | 37.7 | Very low | 43.3 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 67.9 | 141.3 | 145 | -147.9 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 353 | S | 39 | Very low | 45.1 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | 83.4 | 97.5 | 148.7 | -137.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 354 | S | 39.8 | Very low | 47 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | 48.7 | 113.8 | 129.5 | 64 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 355 | Q | 39.4 | Very low | 49.2 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | -174.4 | 156.3 | 103.7 | -167.7 | 166.8 | -57.6 | 0 | 0 | 111.6 | |||||
| 356 | E | 37.5 | Very low | 51.4 | Low | 164 Ų | 164 | 128.6 Ų | 128.6 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | 86 | 145 | 154.6 | -133.9 | 149.2 | 123.4 | 0 | 0 | 121.8 | ||||
| 357 | A | 48.5 | Very low | 53.3 | Low | 91 Ų | 91 | 126.1 Ų | 126.1 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | trans | 53.8 | 104.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | P359 | A357-P359 WeakPolarHBondContact O-CD 3.48Š| ||
| 358 | T | 32.9 | Very low | 55.3 | Low | 129 Ų | 129 | 120 Ų | 120 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | trans | -81 | 130 | 168.4 | 46.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 359 | P | 52.3 | Low | 57.5 | Low | 117 Ų | 117 | 116.7 Ų | 116.7 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | trans | -102.9 | 103.9 | 149.7 | 33 | -23.8 | 0 | 0 | 0 | 109.2 | A357 | A357-P359 WeakPolarHBondContact O-CD 3.48Š| ||
| 360 | E | 51.1 | Low | 59.7 | Low | 176 Ų | 176 | 116 Ų | 116 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | trans | -66.4 | 139.3 | 172.3 | -64.7 | -166.1 | 152.4 | 0 | 0 | 110.1 | E362 | E360-E362 PolarHBondContact O-N 3.27Š| ||
| 361 | K | 60.6 | Low | 61.8 | Low | 209 Ų | 209 | 118.6 Ų | 118.6 | 91% | 0.909 | 67% | 0.671 | S | S | * | * | trans | -82.8 | 84.8 | -174.8 | -70.4 | 175.4 | -179.6 | 171.3 | 0 | 110 | S363 | K361-S363 PolarHBondContact O-N 3.3Š| ||
| 362 | E | 62.4 | Low | 63.6 | Low | 132 Ų | 132 | 114.7 Ų | 114.7 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | trans | -46.1 | 133.1 | 161.5 | -71.3 | -171.4 | -179.5 | 0 | 0 | 109.6 | E360 S367 | E360-E362 PolarHBondContact O-N 3.27Å; E362-S367 PolarHBondContact OE2-OG 3.29Å | ||
| 363 | S | 81.1 | Confident | 65.8 | Low | 66 Ų | 66 | 116.8 Ų | 116.8 | 46% | 0.462 | 65% | 0.654 | S | S | . | * | trans | -67.9 | 145.5 | 178.1 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | K361 A365 E366 S367 | K361-S363 PolarHBondContact O-N 3.3Å; S363-A365 PolarHBondContact O-N 3.49Å; S363-A365 VanDerWaalsContact O-N 3.09Å; S363-A365 PolarHBondContact OG-N 2.95Å; S363-E366 WeakPolarHBondContact O-CA 3.39Å; S363-E366 WeakPolarHBondContact O-CB 3.22Å; S363-E366 PolarHBondContact O-N 2.74Å; S363-S367 PolarHBondContact O-N 3.31Å; S363-S367 PolarHBondContact O-OG 2.88Å | ||
| 364 | L | 82.6 | Confident | 67.5 | Low | 161 Ų | 161 | 115.1 Ų | 115.1 | 84% | 0.843 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -54 | -31.6 | 171.5 | -75.6 | 172.8 | 0 | 0 | 0 | 112.3 | E366 A368 | L364-E366 VanDerWaalsContact C-N 3.35Å; L364-A368 WeakPolarHBondContact O-CB 3.48Å; L364-A368 PolarHBondContact O-N 3.25Å; L364-A368 VanDerWaalsContact O-N 3.08Å |
| 365 | A | 85.5 | Confident | 69.1 | Low | 71 Ų | 71 | 113.3 Ų | 113.3 | 59% | 0.587 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -69 | -33 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S363 A369 | S363-A365 PolarHBondContact O-N 3.49Å; S363-A365 VanDerWaalsContact O-N 3.09Å; S363-A365 PolarHBondContact OG-N 2.95Å; A365-A369 VanDerWaalsContact O-CB 3.29Å; A365-A369 WeakPolarHBondContact O-CB 3.19Å; A365-A369 PolarHBondContact O-N 3.37Å |
| 366 | E | 85.6 | Confident | 70.4 | Confident | 123 Ų | 123 | 107.7 Ų | 107.7 | 58% | 0.575 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -80.1 | -46.2 | -178.8 | -174.3 | 149.5 | -140.3 | 0 | 0 | 111.5 | S363 L364 A368 A369 A370 | S363-E366 WeakPolarHBondContact O-CA 3.39Å; S363-E366 WeakPolarHBondContact O-CB 3.22Å; S363-E366 PolarHBondContact O-N 2.74Å; L364-E366 VanDerWaalsContact C-N 3.35Å; E366-A368 VanDerWaalsContact C-N 3.27Å; E366-A368 PolarHBondContact O-N 2.86Å; E366-A369 CarbonylContact O-C 3.51Å; E366-A369 PolarHBondContact O-N 3.45Å; E366-A369 VanDerWaalsContact O-N 3.15Å; E366-A370 WeakPolarHBondContact O-CB 3.16Å; E366-A370 PolarHBondContact O-N 2.85Å |
| 367 | S | 81.3 | Confident | 71.5 | Confident | 47 Ų | 47 | 110.2 Ų | 110.2 | 33% | 0.329 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.9 | -33.5 | 172.6 | -46.9 | 0 | 0 | 0 | 0 | 111.6 | E362 S363 Y371 | E362-S367 PolarHBondContact OE2-OG 3.29Å; S363-S367 PolarHBondContact O-N 3.31Å; S363-S367 PolarHBondContact O-OG 2.88Å; S367-Y371 WeakPolarHBondContact O-CB 3.43Å; S367-Y371 PolarHBondContact O-N 2.91Å |
| 368 | A | 85 | Confident | 72.3 | Confident | 54 Ų | 54 | 115.3 Ų | 115.3 | 45% | 0.446 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.8 | -45.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L364 E366 A370 Y371 T372 | L364-A368 WeakPolarHBondContact O-CB 3.48Å; L364-A368 PolarHBondContact O-N 3.25Å; L364-A368 VanDerWaalsContact O-N 3.08Å; E366-A368 VanDerWaalsContact C-N 3.27Å; E366-A368 PolarHBondContact O-N 2.86Å; A368-A370 VanDerWaalsContact C-N 3.32Å; A368-A370 PolarHBondContact O-N 3.32Å; A368-Y371 PolarHBondContact O-N 3.13Å; A368-T372 PolarHBondContact O-N 2.88Å; A368-T372 PolarHBondContact O-OG1 3.05Å |
| 369 | A | 86.8 | Confident | 73.6 | Confident | 56 Ų | 56 | 113.6 Ų | 113.6 | 46% | 0.463 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.1 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A365 E366 T372 K373 | A365-A369 VanDerWaalsContact O-CB 3.29Å; A365-A369 WeakPolarHBondContact O-CB 3.19Å; A365-A369 PolarHBondContact O-N 3.37Å; E366-A369 CarbonylContact O-C 3.51Å; E366-A369 PolarHBondContact O-N 3.45Å; E366-A369 VanDerWaalsContact O-N 3.15Å; A369-T372 PolarHBondContact O-N 2.59Å; A369-K373 WeakPolarHBondContact O-CB 3.49Å; A369-K373 PolarHBondContact O-N 2.8Å |
| 370 | A | 84.5 | Confident | 74.5 | Confident | 51 Ų | 51 | 115.7 Ų | 115.7 | 42% | 0.421 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -63.6 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | E366 A368 K373 A374 | E366-A370 WeakPolarHBondContact O-CB 3.16Å; E366-A370 PolarHBondContact O-N 2.85Å; A368-A370 VanDerWaalsContact C-N 3.32Å; A368-A370 PolarHBondContact O-N 3.32Å; A370-K373 PolarHBondContact O-N 2.78Å; A370-A374 VanDerWaalsContact O-CB 3.26Å; A370-A374 WeakPolarHBondContact O-CB 3.47Å; A370-A374 PolarHBondContact O-N 3.5Å |
| 371 | Y | 83.6 | Confident | 75.7 | Confident | 170 Ų | 170 | 114.4 Ų | 114.4 | 67% | 0.667 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -61.8 | -43.7 | 174.9 | -172.5 | -90.8 | 0 | 0 | 0 | 112.2 | S367 A368 A374 T375 | S367-Y371 WeakPolarHBondContact O-CB 3.43Å; S367-Y371 PolarHBondContact O-N 2.91Å; A368-Y371 PolarHBondContact O-N 3.13Å; Y371-A374 PolarHBondContact O-N 2.56Å; Y371-T375 WeakPolarHBondContact O-CB 3.32Å; Y371-T375 PolarHBondContact O-N 3.35Å; Y371-T375 PolarHBondContact O-OG1 3.12Å |
| 372 | T | 79.4 | Confident | 76.7 | Confident | 96 Ų | 96 | 113.1 Ų | 113.1 | 59% | 0.589 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.9 | -48.5 | 173.7 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | A368 A369 A374 T375 A376 | A368-T372 PolarHBondContact O-N 2.88Å; A368-T372 PolarHBondContact O-OG1 3.05Å; A369-T372 PolarHBondContact O-N 2.59Å; T372-A374 PolarHBondContact O-N 2.85Å; T372-T375 PolarHBondContact O-N 3.31Å; T372-A376 WeakPolarHBondContact O-CB 3.47Å; T372-A376 PolarHBondContact O-N 2.96Å |
| 373 | K | 82.1 | Confident | 77.7 | Confident | 159 Ų | 159 | 115.4 Ų | 115.4 | 69% | 0.691 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65 | -37.5 | -179.7 | -173.9 | 178.4 | -177.8 | -178.8 | 0 | 112.7 | A369 A370 | A369-K373 WeakPolarHBondContact O-CB 3.49Å; A369-K373 PolarHBondContact O-N 2.8Å; A370-K373 PolarHBondContact O-N 2.78Å |
| 374 | A | 76.3 | Confident | 77.9 | Confident | 66 Ų | 66 | 117.9 Ų | 117.9 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.2 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A370 Y371 T372 | A370-A374 VanDerWaalsContact O-CB 3.26Å; A370-A374 WeakPolarHBondContact O-CB 3.47Å; A370-A374 PolarHBondContact O-N 3.5Å; Y371-A374 PolarHBondContact O-N 2.56Å; T372-A374 PolarHBondContact O-N 2.85Å |
| 375 | T | 73 | Confident | 78 | Confident | 68 Ų | 68 | 117.7 Ų | 117.7 | 42% | 0.417 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -73.7 | -34.9 | -178.4 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | Y371 T372 R377 K378 | Y371-T375 WeakPolarHBondContact O-CB 3.32Å; Y371-T375 PolarHBondContact O-N 3.35Å; Y371-T375 PolarHBondContact O-OG1 3.12Å; T372-T375 PolarHBondContact O-N 3.31Å; T375-R377 PolarHBondContact O-N 2.94Å; T375-R377 VanDerWaalsContact O-N 3.16Å; T375-K378 PolarHBondContact O-N 3.35Å |
| 376 | A | 65.9 | Low | 77.9 | Confident | 55 Ų | 55 | 120.5 Ų | 120.5 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -55.7 | -32 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T372 K378 C379 | T372-A376 WeakPolarHBondContact O-CB 3.47Å; T372-A376 PolarHBondContact O-N 2.96Å; A376-K378 PolarHBondContact O-N 2.95Å; A376-C379 CarbonylContact O-C 3.52Å; A376-C379 PolarHBondContact O-N 2.86Å |
| 377 | R | 61.4 | Low | 77.7 | Confident | 218 Ų | 218 | 120.9 Ų | 120.9 | 82% | 0.823 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -19.4 | 176 | -75 | -175.1 | 170.3 | 177.1 | -3.1 | 114.1 | T375 | T375-R377 PolarHBondContact O-N 2.94Å; T375-R377 VanDerWaalsContact O-N 3.16Å |
| 378 | K | 65.3 | Low | 77.7 | Confident | 197 Ų | 197 | 121.6 Ų | 121.6 | 86% | 0.857 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -4.1 | 172.9 | -65.5 | -175.4 | 178.6 | 179.4 | 0 | 113.5 | T375 A376 | T375-K378 PolarHBondContact O-N 3.35Å; A376-K378 PolarHBondContact O-N 2.95Å |
| 379 | C | 60.6 | Low | 77.6 | Confident | 93 Ų | 93 | 121.6 Ų | 121.6 | 63% | 0.628 | 65% | 0.651 | S | S | * | * | trans | -125.4 | 34.5 | -177.7 | -155.2 | 0 | 0 | 0 | 0 | 112.1 | A376 L381 | A376-C379 CarbonylContact O-C 3.52Å; A376-C379 PolarHBondContact O-N 2.86Å; C379-L381 PolarHBondContact O-N 2.84Å; C379-L381 VanDerWaalsContact O-N 3.14Å | ||
| 380 | L | 70.9 | Confident | 77.5 | Confident | 162 Ų | 162 | 119.5 Ų | 119.5 | 85% | 0.848 | 63% | 0.631 | S | S | * | * | trans | -80.8 | 87.8 | 170.2 | -173.2 | 68.8 | 0 | 0 | 0 | 109.2 | ||||
| 381 | L | 75.5 | Confident | 77.3 | Confident | 149 Ų | 149 | 122.9 Ų | 122.9 | 78% | 0.78 | 64% | 0.638 | S | S | * | * | trans | -75.1 | 142 | 170.1 | -63.3 | 177.3 | 0 | 0 | 0 | 110.3 | C379 | C379-L381 PolarHBondContact O-N 2.84Å; C379-L381 VanDerWaalsContact O-N 3.14Å | ||
| 382 | E | 81.1 | Confident | 77.4 | Confident | 182 Ų | 182 | 119.3 Ų | 119.3 | 85% | 0.85 | 64% | 0.644 | S | S | * | * | trans | -65.8 | 136.2 | 176.2 | -174.1 | 170.2 | -166.6 | 0 | 0 | 110.6 | V384 | E382-V384 VanDerWaalsContact C-N 3.34Å; E382-V384 PolarHBondContact O-N 3.17Å | ||
| 383 | K | 83.3 | Confident | 78.1 | Confident | 179 Ų | 179 | 116.4 Ų | 116.4 | 78% | 0.778 | 62% | 0.624 | S | S | * | * | trans | -76.7 | 86.1 | 179 | -174.3 | -155.3 | 169.2 | -158.8 | 0 | 109.8 | E385 | K383-E385 PolarHBondContact O-N 2.6Š| ||
| 384 | V | 86.1 | Confident | 78.7 | Confident | 118 Ų | 118 | 112.8 Ų | 112.8 | 72% | 0.715 | 62% | 0.619 | S | S | * | * | trans | -58.4 | 132.5 | 170.8 | -177.2 | 0 | 0 | 0 | 0 | 110 | E382 | E382-V384 VanDerWaalsContact C-N 3.34Å; E382-V384 PolarHBondContact O-N 3.17Å | ||
| 385 | E | 84.3 | Confident | 79.6 | Confident | 157 Ų | 157 | 113 Ų | 113 | 73% | 0.734 | 61% | 0.611 | S | S | * | * | trans | -79.5 | 128.9 | 175.6 | -58.3 | -164.1 | 138.4 | 0 | 0 | 110.5 | K383 I387 | K383-E385 PolarHBondContact O-N 2.6Å; E385-I387 PolarHBondContact O-N 2.8Å | ||
| 386 | V | 83.2 | Confident | 80.7 | Confident | 130 Ų | 130 | 112.7 Ų | 112.7 | 79% | 0.788 | 61% | 0.609 | S | S | * | * | trans | -91.9 | 83.6 | -172.9 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | T388 | V386-T388 PolarHBondContact O-N 2.87Š| ||
| 387 | I | 82.1 | Confident | 82.2 | Confident | 132 Ų | 132 | 111.5 Ų | 111.5 | 68% | 0.677 | 59% | 0.594 | S | S | * | * | trans | -66 | 127.2 | 171.2 | -63.4 | 172 | 0 | 0 | 0 | 108.9 | E385 | E385-I387 PolarHBondContact O-N 2.8Š| ||
| 388 | T | 82.4 | Confident | 83.9 | Confident | 61 Ų | 61 | 105.5 Ų | 105.5 | 37% | 0.374 | 58% | 0.576 | S | S | . | * | trans | -93.9 | -17.3 | -172.6 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | V386 E390 E391 | V386-T388 PolarHBondContact O-N 2.87Å; T388-E390 PolarHBondContact O-N 3.29Å; T388-E390 PolarHBondContact OG1-N 2.91Å; T388-E391 WeakPolarHBondContact CB-OE1 3.38Å; T388-E391 PolarHBondContact N-OE1 3.04Å; T388-E391 PolarHBondContact OG1-OE1 2.89Å | ||
| 389 | G | 83 | Confident | 85.5 | Confident | 55 Ų | 55 | 96.5 Ų | 96.5 | 57% | 0.567 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 71.5 | 15.6 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R437 | G389-R437 PolarHBondContact O-NH2 3.37Š|
| 390 | E | 83.1 | Confident | 87.3 | Confident | 11 Ų | 11 | 96.5 Ų | 96.5 | 5% | 0.051 | 53% | 0.528 | C | S | . | . | trans | -110.2 | -9 | 175.3 | -61 | 170.6 | -139.2 | 0 | 0 | 112.1 | T388 A392 E393 R422 R441 | T388-E390 PolarHBondContact O-N 3.29Å; T388-E390 PolarHBondContact OG1-N 2.91Å; E390-A392 PolarHBondContact O-N 2.91Å; E390-E393 PolarHBondContact O-N 2.9Å; E390-R422 WeakPolarHBondContact OE2-CD 3.39Å; E390-R422 IonicContact OE2-CZ 2.83Å; E390-R422 IonicContact OE2-NE 3.29Å; E390-R422 IonicContact OE2-NH1 3.22Å; E390-R422 PolarHBondContact OE2-NH1 3.17Å; E390-R441 IonicContact OE1-CZ 3.22Å; E390-R441 IonicContact OE1-NE 2.81Å; E390-R441 PolarHBondContact OE1-NE 2.75Å; E390-R441 IonicContact OE1-NH2 2.72Å; E390-R441 PolarHBondContact OE1-NH2 2.7Å | ||
| 391 | E | 81.9 | Confident | 88.6 | Confident | 122 Ų | 122 | 89.1 Ų | 89.1 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -19.3 | -169.4 | -74.3 | 130.1 | -115.4 | 0 | 0 | 116 | T388 E393 | T388-E391 WeakPolarHBondContact CB-OE1 3.38Å; T388-E391 PolarHBondContact N-OE1 3.04Å; T388-E391 PolarHBondContact OG1-OE1 2.89Å; E391-E393 VanDerWaalsContact C-N 3.28Å |
| 392 | A | 85.6 | Confident | 89.7 | Confident | 95 Ų | 95 | 84.3 Ų | 84.3 | 79% | 0.785 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 4.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | E390 | E390-A392 PolarHBondContact O-N 2.91Š|
| 393 | E | 93 | Very high | 90.5 | Very high | 36 Ų | 36 | 75.6 Ų | 75.6 | 17% | 0.168 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -116.5 | 147.6 | -174.4 | -54.4 | -178.4 | 138.3 | 0 | 0 | 112.4 | E390 E391 N424 M426 R437 | E390-E393 PolarHBondContact O-N 2.9Å; E391-E393 VanDerWaalsContact C-N 3.28Å; E393-N424 HydrophobicContact CB-CB 3.99Å; E393-N424 WeakPolarHBondContact OE2-CB 3.3Å; E393-N424 PolarHBondContact OE2-ND2 3.23Å; E393-M426 HydrophobicContact CG-CB 4.24Å; E393-R437 IonicContact OE1-CZ 2.71Å; E393-R437 VanDerWaalsContact OE1-CZ 3.28Å; E393-R437 IonicContact OE1-NE 2.85Å; E393-R437 PolarHBondContact OE1-NE 2.95Å; E393-R437 IonicContact OE1-NH2 3.98Å; E393-R437 PolarHBondContact OE1-NH2 3.37Å; E393-R437 IonicContact OE2-CZ 3.22Å; E393-R437 VanDerWaalsContact OE2-CZ 3.22Å; E393-R437 IonicContact OE2-NE 2.85Å; E393-R437 PolarHBondContact OE2-NE 2.89Å; E393-R437 IonicContact OE2-NH2 2.73Å; E393-R437 PolarHBondContact OE2-NH2 3.2Å |
| 394 | S | 94.2 | Very high | 91.3 | Very high | 83 Ų | 83 | 69 Ų | 69 | 58% | 0.58 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 117.9 | 172.6 | -167.2 | 0 | 0 | 0 | 0 | 110.2 | V396 N424 D425 | S394-V396 PolarHBondContact O-N 2.7Å; S394-N424 CarbonylContact O-C 3.59Å; S394-N424 WeakPolarHBondContact O-CA 3.39Å; S394-D425 PolarHBondContact N-O 2.87Å; S394-D425 PolarHBondContact O-N 2.95Å |
| 395 | N | 95.6 | Very high | 91.8 | Very high | 70 Ų | 70 | 64.3 Ų | 64.3 | 37% | 0.374 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 112.7 | 171.1 | -178.3 | -112.2 | 0 | 0 | 0 | 110.4 | L397 R422 L423 N424 | N395-L397 PolarHBondContact ND2-O 2.98Å; N395-R422 WeakPolarHBondContact ND2-CB 3.25Å; N395-L423 PolarHBondContact ND2-O 2.65Å; N395-N424 PolarHBondContact ND2-OD1 2.86Å |
| 396 | V | 96.4 | Very high | 92.5 | Very high | 62 Ų | 62 | 60 Ų | 60 | 38% | 0.376 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -43.5 | -178.7 | -176 | 0 | 0 | 0 | 0 | 111 | S394 L423 D425 | S394-V396 PolarHBondContact O-N 2.7Å; V396-L423 HydrophobicContact CB-CD2 4.43Å; V396-L423 HydrophobicContact CB-CG 4.22Å; V396-L423 WeakPolarHBondContact CB-O 3.45Å; V396-L423 HydrophobicContact CG1-CD2 4.42Å; V396-L423 HydrophobicContact CG2-CG 4.38Å; V396-L423 PolarHBondContact N-O 2.91Å; V396-D425 HydrophobicContact CG2-CB 3.99Å; V396-D425 WeakPolarHBondContact CG2-OD2 3.32Å |
| 397 | L | 96.8 | Very high | 93.1 | Very high | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.152 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 142.4 | -172.2 | -179.9 | 148 | 0 | 0 | 0 | 109.3 | N395 M399 R422 L423 Q494 L495 | N395-L397 PolarHBondContact ND2-O 2.98Å; L397-M399 HydrophobicContact CD2-CB 4.15Å; L397-M399 HydrophobicContact CD2-CG 3.75Å; L397-M399 HydrophobicContact CD2-SD 3.66Å; L397-R422 WeakPolarHBondContact O-CA 3.45Å; L397-L423 HydrophobicContact CB-CB 4.38Å; L397-L423 PolarHBondContact N-O 3.46Å; L397-L423 PolarHBondContact O-N 2.8Å; L397-Q494 HydrophobicContact CD1-CB 3.65Å; L397-L495 HydrophobicContact CD2-CD1 4.32Å |
| 398 | Q | 97.7 | Very high | 93.8 | Very high | 93 Ų | 93 | 58 Ų | 58 | 44% | 0.435 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 127.2 | 176.6 | -173.4 | 179.4 | -109.4 | 0 | 0 | 109.3 | L420 L421 R422 | Q398-L420 HydrophobicContact CG-CD1 3.68Å; Q398-L420 HydrophobicContact CG-CD2 3.95Å; Q398-L420 HydrophobicContact CG-CG 3.65Å; Q398-L421 WeakPolarHBondContact CA-O 3.42Å; Q398-R422 HydrophobicContact CB-CG 4.48Å; Q398-R422 HydrophobicContact CG-CG 4.05Å |
| 399 | M | 98.4 | Very high | 94.4 | Very high | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.039 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 150.3 | -173.4 | 58.8 | -176.2 | -84.9 | 0 | 0 | 112.4 | L397 C401 L421 I485 A487 D491 L495 | L397-M399 HydrophobicContact CD2-CB 4.15Å; L397-M399 HydrophobicContact CD2-CG 3.75Å; L397-M399 HydrophobicContact CD2-SD 3.66Å; M399-C401 HydrophobicContact CE-CB 4.03Å; M399-L421 HydrophobicContact CG-CB 4.18Å; M399-L421 HydrophobicContact CG-CD2 4.35Å; M399-L421 PolarHBondContact N-O 2.88Å; M399-L421 PolarHBondContact O-N 2.93Å; M399-L421 HydrophobicContact SD-CD2 4.31Å; M399-I485 HydrophobicContact CE-CG2 4.49Å; M399-A487 HydrophobicContact CE-CB 3.23Å; M399-D491 HydrophobicContact CB-CB 4.08Å; M399-D491 HydrophobicContact CE-CB 3.6Å; M399-D491 HydrophobicContact SD-CB 3.98Å; M399-L495 HydrophobicContact CE-CD2 4.03Å; M399-L495 HydrophobicContact SD-CB 3.72Å; M399-L495 HydrophobicContact SD-CD1 4.39Å; M399-L495 HydrophobicContact SD-CD2 3.68Å; M399-L495 HydrophobicContact SD-CG 4.13Å |
| 400 | Q | 98.3 | Very high | 95.1 | Very high | 93 Ų | 93 | 62 Ų | 62 | 44% | 0.435 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 124.2 | 172.2 | -72.6 | -76 | 82.4 | 0 | 0 | 109.6 | G419 L420 | Q400-G419 PolarHBondContact OE1-O 2.98Å; Q400-L420 HydrophobicContact CG-CD1 4.17Å; Q400-L420 VanDerWaalsContact OE1-CA 3.31Å; Q400-L420 VanDerWaalsContact OE1-CD1 3.24Å |
| 401 | C | 98.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 67.4 Ų | 67.4 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 173.4 | -179.7 | 68 | 0 | 0 | 0 | 0 | 112.8 | M399 R418 G419 L421 M440 I485 S486 A487 | M399-C401 HydrophobicContact CE-CB 4.03Å; C401-R418 WeakPolarHBondContact O-CA 3.44Å; C401-G419 PolarHBondContact N-O 2.94Å; C401-G419 PolarHBondContact O-N 2.67Å; C401-L421 WeakPolarHBondContact SG-CB 3.41Å; C401-M440 VanDerWaalsContact O-CE 3.32Å; C401-M440 WeakPolarHBondContact O-CE 3.34Å; C401-M440 WeakPolarHBondContact SG-CE 3.31Å; C401-I485 HydrophobicContact CB-CG2 4.03Å; C401-S486 CarbonylContact C-O 3.58Å; C401-S486 WeakPolarHBondContact CA-O 3.45Å; C401-S486 VanDerWaalsContact CB-O 3.26Å; C401-S486 WeakPolarHBondContact CB-O 3.42Å; C401-A487 HydrophobicContact CB-CB 3.94Å |
| 402 | K | 98.7 | Very high | 96.5 | Very high | 48 Ų | 48 | 63.8 Ų | 63.8 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.4 | 170.6 | -179.7 | 169 | 171.4 | 143.2 | 0 | 108.9 | F404 E415 S486 | K402-F404 HydrophobicContact CB-CE2 4.39Å; K402-F404 HydrophobicContact CD-CE1 4.39Å; K402-F404 HydrophobicContact CD-CE2 4.02Å; K402-F404 HydrophobicContact CD-CZ 3.72Å; K402-F404 VanDerWaalsContact CE-CE1 3.48Å; K402-F404 HydrophobicContact CG-CD2 4.36Å; K402-F404 HydrophobicContact CG-CE2 3.77Å; K402-F404 HydrophobicContact CG-CZ 3.97Å; K402-E415 WeakPolarHBondContact CE-OE1 3.46Å; K402-E415 WeakPolarHBondContact CE-OE2 3.31Å; K402-E415 IonicContact NZ-OE1 3.17Å; K402-E415 PolarHBondContact NZ-OE1 3.46Å; K402-E415 IonicContact NZ-OE2 3.38Å; K402-E415 PolarHBondContact NZ-OE2 3.31Å; K402-S486 PolarHBondContact N-O 3.43Å; K402-S486 PolarHBondContact O-N 3.4Å |
| 403 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 133.1 | 179.7 | -176.4 | 68.4 | 0 | 0 | 0 | 109.8 | R416 G417 M440 I449 L450 F483 I485 | L403-R416 HydrophobicContact CB-CB 4.31Å; L403-R416 HydrophobicContact CD2-CB 4.07Å; L403-R416 HydrophobicContact CD2-CG 3.97Å; L403-R416 HydrophobicContact CG-CB 4.02Å; L403-R416 HydrophobicContact CG-CG 4.46Å; L403-R416 PolarHBondContact O-N 3.27Å; L403-G417 PolarHBondContact N-O 2.92Å; L403-G417 PolarHBondContact O-N 2.95Å; L403-M440 HydrophobicContact CB-CE 4.17Å; L403-M440 HydrophobicContact CB-SD 3.64Å; L403-M440 HydrophobicContact CD2-SD 4.05Å; L403-M440 HydrophobicContact CG-SD 4.36Å; L403-I449 HydrophobicContact CB-CD1 4.49Å; L403-I449 HydrophobicContact CD2-CD1 4.26Å; L403-I449 HydrophobicContact CD2-CG1 4.45Å; L403-L450 HydrophobicContact CD1-CD2 4.48Å; L403-L450 HydrophobicContact CD2-CB 3.89Å; L403-L450 HydrophobicContact CD2-CD2 4.46Å; L403-F483 HydrophobicContact CD1-CB 4.04Å; L403-F483 HydrophobicContact CD1-CD1 3.9Å; L403-F483 HydrophobicContact CD1-CG 4.37Å; L403-F483 HydrophobicContact CD2-CD1 4.24Å; L403-F483 HydrophobicContact CD2-CE1 4.49Å; L403-F483 HydrophobicContact CG-CD1 4.12Å; L403-I485 HydrophobicContact CD1-CG1 3.91Å |
| 404 | F | 98.6 | Very high | 97.4 | Very high | 40 Ų | 40 | 65.1 Ų | 65.1 | 18% | 0.175 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 153.8 | 168.8 | -50.9 | -106.5 | 0 | 0 | 0 | 109.5 | K402 W413 V414 E415 F483 L484 | K402-F404 HydrophobicContact CB-CE2 4.39Å; K402-F404 HydrophobicContact CD-CE1 4.39Å; K402-F404 HydrophobicContact CD-CE2 4.02Å; K402-F404 HydrophobicContact CD-CZ 3.72Å; K402-F404 VanDerWaalsContact CE-CE1 3.48Å; K402-F404 HydrophobicContact CG-CD2 4.36Å; K402-F404 HydrophobicContact CG-CE2 3.77Å; K402-F404 HydrophobicContact CG-CZ 3.97Å; F404-W413 HydrophobicContact CB-CB 4.17Å; F404-W413 HydrophobicContact CB-CE3 4.07Å; F404-W413 HydrophobicContact CD1-CB 4.16Å; F404-W413 HydrophobicContact CG-CB 4.41Å; F404-V414 CarbonylContact C-O 3.56Å; F404-V414 WeakPolarHBondContact CA-O 3.36Å; F404-V414 WeakPolarHBondContact CB-O 3.23Å; F404-E415 HydrophobicContact CD1-CB 4.29Å; F404-E415 HydrophobicContact CE1-CB 4.5Å; F404-F483 CarbonylContact O-C 3.55Å; F404-F483 VanDerWaalsContact O-CA 3.24Å; F404-F483 WeakPolarHBondContact O-CA 3.45Å; F404-F483 WeakPolarHBondContact O-CB 3.44Å; F404-F483 WeakPolarHBondContact O-CD1 3.11Å; F404-L484 HydrophobicContact CB-CB 4.24Å; F404-L484 HydrophobicContact CD2-CB 4.36Å; F404-L484 HydrophobicContact CD2-CD2 4.35Å; F404-L484 PolarHBondContact N-O 3.46Å; F404-L484 PolarHBondContact O-N 3.44Å |
| 405 | V | 98.1 | Very high | 97.6 | Very high | 20 Ų | 20 | 66 Ų | 66 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 143 | 167.3 | 65.9 | 0 | 0 | 0 | 0 | 108.6 | D407 V414 K481 F483 | V405-D407 PolarHBondContact O-N 2.85Å; V405-V414 HydrophobicContact CG1-CB 4.24Å; V405-V414 PolarHBondContact N-O 3.26Å; V405-V414 PolarHBondContact O-N 3.19Å; V405-K481 HydrophobicContact CG2-CB 3.97Å; V405-K481 HydrophobicContact CG2-CD 3.81Å; V405-F483 HydrophobicContact CB-CD1 3.95Å; V405-F483 HydrophobicContact CB-CE1 3.93Å; V405-F483 HydrophobicContact CG2-CD1 4.12Å; V405-F483 HydrophobicContact CG2-CE1 3.9Å; V405-F483 HydrophobicContact CG2-CZ 4.17Å |
| 406 | F | 98.2 | Very high | 97.6 | Very high | 65 Ų | 65 | 64.2 Ų | 64.2 | 29% | 0.285 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 114.3 | 172.4 | -172.1 | -102.5 | 0 | 0 | 0 | 109.2 | Q411 W413 V482 | F406-Q411 WeakPolarHBondContact CE2-O 3.39Å; F406-Q411 HydrophobicContact CZ-CB 4.28Å; F406-W413 HydrophobicContact CB-CE3 3.95Å; F406-W413 HydrophobicContact CB-CH2 4.07Å; F406-W413 HydrophobicContact CB-CZ3 3.65Å; F406-W413 HydrophobicContact CD2-CD2 4.2Å; F406-W413 HydrophobicContact CD2-CE3 4.39Å; F406-W413 HydrophobicContact CD2-CH2 4.5Å; F406-W413 HydrophobicContact CD2-CZ2 4.3Å; F406-V482 HydrophobicContact CB-CB 4.18Å; F406-V482 PolarHBondContact N-O 3.2Å |
| 407 | D | 96.4 | Very high | 97.7 | Very high | 48 Ų | 48 | 61.8 Ų | 61.8 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 118.6 | 170.1 | 168 | 36.7 | 0 | 0 | 0 | 109.7 | V405 T409 S410 Q411 S412 V414 | V405-D407 PolarHBondContact O-N 2.85Å; D407-T409 PolarHBondContact O-N 3.04Å; D407-T409 VanDerWaalsContact OD1-CB 3.25Å; D407-T409 WeakPolarHBondContact OD1-CB 3.28Å; D407-T409 PolarHBondContact OD1-N 2.84Å; D407-T409 PolarHBondContact OD1-OG1 2.57Å; D407-T409 WeakPolarHBondContact OD2-CB 3.35Å; D407-S410 VanDerWaalsContact OD2-CB 3.23Å; D407-S410 WeakPolarHBondContact OD2-CB 3.5Å; D407-S410 PolarHBondContact OD2-N 2.97Å; D407-S410 PolarHBondContact OD2-OG 2.89Å; D407-Q411 VanDerWaalsContact O-CA 3.28Å; D407-Q411 WeakPolarHBondContact O-CA 3.46Å; D407-Q411 PolarHBondContact O-N 2.93Å; D407-S412 PolarHBondContact N-O 3.46Å; D407-S412 PolarHBondContact O-N 2.84Å; D407-V414 HydrophobicContact CB-CG2 3.77Å |
| 408 | K | 95.4 | Very high | 97.8 | Very high | 174 Ų | 174 | 67.7 Ų | 67.7 | 76% | 0.757 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -23.5 | 176.8 | -172.9 | -179.6 | 175.9 | -173.7 | 0 | 112.4 | Q411 | K408-Q411 PolarHBondContact O-NE2 2.85Š|
| 409 | T | 96.7 | Very high | 97.8 | Very high | 133 Ų | 133 | 63.2 Ų | 63.2 | 82% | 0.816 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -53.9 | -176.5 | -34.6 | 0 | 0 | 0 | 0 | 111.2 | D407 | D407-T409 PolarHBondContact O-N 3.04Å; D407-T409 VanDerWaalsContact OD1-CB 3.25Å; D407-T409 WeakPolarHBondContact OD1-CB 3.28Å; D407-T409 PolarHBondContact OD1-N 2.84Å; D407-T409 PolarHBondContact OD1-OG1 2.57Å; D407-T409 WeakPolarHBondContact OD2-CB 3.35Å |
| 410 | S | 96.9 | Very high | 97.8 | Very high | 66 Ų | 66 | 65.6 Ų | 65.6 | 46% | 0.462 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -5 | 176.5 | 61.1 | 0 | 0 | 0 | 0 | 114.3 | D407 S412 | D407-S410 VanDerWaalsContact OD2-CB 3.23Å; D407-S410 WeakPolarHBondContact OD2-CB 3.5Å; D407-S410 PolarHBondContact OD2-N 2.97Å; D407-S410 PolarHBondContact OD2-OG 2.89Å; S410-S412 PolarHBondContact O-N 2.91Å; S410-S412 PolarHBondContact OG-OG 2.86Å |
| 411 | Q | 97.3 | Very high | 97.8 | Very high | 124 Ų | 124 | 61.2 Ų | 61.2 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 34.7 | -172.3 | -66.2 | -70.5 | -57.4 | 0 | 0 | 112.8 | F406 D407 K408 | F406-Q411 WeakPolarHBondContact CE2-O 3.39Å; F406-Q411 HydrophobicContact CZ-CB 4.28Å; D407-Q411 VanDerWaalsContact O-CA 3.28Å; D407-Q411 WeakPolarHBondContact O-CA 3.46Å; D407-Q411 PolarHBondContact O-N 2.93Å; K408-Q411 PolarHBondContact O-NE2 2.85Å |
| 412 | S | 97.9 | Very high | 97.7 | Very high | 47 Ų | 47 | 64.6 Ų | 64.6 | 33% | 0.329 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 164.1 | -168.3 | 85.2 | 0 | 0 | 0 | 0 | 113.9 | D407 S410 | D407-S412 PolarHBondContact N-O 3.46Å; D407-S412 PolarHBondContact O-N 2.84Å; S410-S412 PolarHBondContact O-N 2.91Å; S410-S412 PolarHBondContact OG-OG 2.86Å |
| 413 | W | 98.4 | Very high | 97.7 | Very high | 93 Ų | 93 | 62.3 Ų | 62.3 | 35% | 0.352 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 99.9 | 177.1 | -68.4 | 107.8 | 0 | 0 | 0 | 111.1 | F404 F406 R469 V482 L484 | F404-W413 HydrophobicContact CB-CB 4.17Å; F404-W413 HydrophobicContact CB-CE3 4.07Å; F404-W413 HydrophobicContact CD1-CB 4.16Å; F404-W413 HydrophobicContact CG-CB 4.41Å; F406-W413 HydrophobicContact CB-CE3 3.95Å; F406-W413 HydrophobicContact CB-CH2 4.07Å; F406-W413 HydrophobicContact CB-CZ3 3.65Å; F406-W413 HydrophobicContact CD2-CD2 4.2Å; F406-W413 HydrophobicContact CD2-CE3 4.39Å; F406-W413 HydrophobicContact CD2-CH2 4.5Å; F406-W413 HydrophobicContact CD2-CZ2 4.3Å; W413-R469 HydrophobicContact CH2-CG 4.21Å; W413-V482 HydrophobicContact CH2-CG1 3.94Å; W413-V482 HydrophobicContact CZ3-CG1 4.42Å; W413-L484 HydrophobicContact CD2-CB 4.22Å; W413-L484 HydrophobicContact CD2-CD2 4.31Å; W413-L484 HydrophobicContact CE3-CB 3.74Å; W413-L484 HydrophobicContact CH2-CB 3.9Å; W413-L484 HydrophobicContact CZ2-CB 4.36Å; W413-L484 HydrophobicContact CZ2-CD1 4.49Å; W413-L484 HydrophobicContact CZ3-CB 3.57Å |
| 414 | V | 97.9 | Very high | 97.7 | Very high | 66 Ų | 66 | 62.5 Ų | 62.5 | 40% | 0.4 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 130.4 | 177.6 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | F404 V405 D407 R416 | F404-V414 CarbonylContact C-O 3.56Å; F404-V414 WeakPolarHBondContact CA-O 3.36Å; F404-V414 WeakPolarHBondContact CB-O 3.23Å; V405-V414 HydrophobicContact CG1-CB 4.24Å; V405-V414 PolarHBondContact N-O 3.26Å; V405-V414 PolarHBondContact O-N 3.19Å; D407-V414 HydrophobicContact CB-CG2 3.77Å; V414-R416 PolarHBondContact O-N 2.86Å |
| 415 | E | 97.9 | Very high | 97.6 | Very high | 100 Ų | 100 | 61.4 Ų | 61.4 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 119.6 | 175.5 | 172.4 | 165.3 | -150.3 | 0 | 0 | 111.2 | K402 F404 | K402-E415 WeakPolarHBondContact CE-OE1 3.46Å; K402-E415 WeakPolarHBondContact CE-OE2 3.31Å; K402-E415 IonicContact NZ-OE1 3.17Å; K402-E415 PolarHBondContact NZ-OE1 3.46Å; K402-E415 IonicContact NZ-OE2 3.38Å; K402-E415 PolarHBondContact NZ-OE2 3.31Å; F404-E415 HydrophobicContact CD1-CB 4.29Å; F404-E415 HydrophobicContact CE1-CB 4.5Å |
| 416 | R | 96.6 | Very high | 97.2 | Very high | 33 Ų | 33 | 63.8 Ų | 63.8 | 13% | 0.125 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -31.8 | 174.2 | -165 | 73.5 | 175.1 | 127 | 13.4 | 111.4 | L403 V414 I449 D474 T475 E476 | L403-R416 HydrophobicContact CB-CB 4.31Å; L403-R416 HydrophobicContact CD2-CB 4.07Å; L403-R416 HydrophobicContact CD2-CG 3.97Å; L403-R416 HydrophobicContact CG-CB 4.02Å; L403-R416 HydrophobicContact CG-CG 4.46Å; L403-R416 PolarHBondContact O-N 3.27Å; V414-R416 PolarHBondContact O-N 2.86Å; R416-I449 HydrophobicContact CG-CB 4.15Å; R416-D474 IonicContact NH2-OD1 3.72Å; R416-T475 PolarHBondContact NH2-OG1 2.83Å; R416-E476 VanDerWaalsContact CZ-CD 3.48Å; R416-E476 IonicContact CZ-OE1 2.67Å; R416-E476 VanDerWaalsContact CZ-OE1 3.22Å; R416-E476 IonicContact CZ-OE2 3.7Å; R416-E476 VanDerWaalsContact CZ-OE2 3.29Å; R416-E476 IonicContact NH1-OE1 3.31Å; R416-E476 PolarHBondContact NH1-OE1 2.99Å; R416-E476 IonicContact NH1-OE2 2.85Å; R416-E476 PolarHBondContact NH1-OE2 3.38Å; R416-E476 IonicContact NH2-OE1 3.38Å; R416-E476 PolarHBondContact NH2-OE1 2.81Å; R416-E476 IonicContact NH2-OE2 3.54Å; R416-E476 PolarHBondContact NH2-OE2 2.8Å |
| 417 | G | 97.9 | Very high | 96.6 | Very high | 12 Ų | 12 | 64.2 Ų | 64.2 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | 175.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L403 | L403-G417 PolarHBondContact N-O 2.92Å; L403-G417 PolarHBondContact O-N 2.95Å |
| 418 | R | 98.6 | Very high | 95.8 | Very high | 152 Ų | 152 | 63.5 Ų | 63.5 | 57% | 0.574 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 142.3 | 172.6 | 175.7 | -179.2 | -73.2 | 171.2 | -3.1 | 110.4 | C401 T442 Q443 | C401-R418 WeakPolarHBondContact O-CA 3.44Å; R418-T442 WeakPolarHBondContact O-CA 3.23Å; R418-Q443 PolarHBondContact O-N 3.26Å |
| 419 | G | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.7 | -152.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q400 C401 R441 | Q400-G419 PolarHBondContact OE1-O 2.98Å; C401-G419 PolarHBondContact N-O 2.94Å; C401-G419 PolarHBondContact O-N 2.67Å; G419-R441 WeakPolarHBondContact CA-O 3.17Å |
| 420 | L | 97.8 | Very high | 93.7 | Very high | 58 Ų | 58 | 62 Ų | 62 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 114.1 | -168.5 | -161 | 67.4 | 0 | 0 | 0 | 108.9 | Q398 Q400 M440 R441 | Q398-L420 HydrophobicContact CG-CD1 3.68Å; Q398-L420 HydrophobicContact CG-CD2 3.95Å; Q398-L420 HydrophobicContact CG-CG 3.65Å; Q400-L420 HydrophobicContact CG-CD1 4.17Å; Q400-L420 VanDerWaalsContact OE1-CA 3.31Å; Q400-L420 VanDerWaalsContact OE1-CD1 3.24Å; L420-M440 WeakPolarHBondContact O-CA 3.02Å; L420-R441 PolarHBondContact N-O 3.29Å; L420-R441 VanDerWaalsContact N-O 3.07Å; L420-R441 PolarHBondContact O-N 3.43Å |
| 421 | L | 98.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.8 | 173.5 | 175.8 | 71.3 | 0 | 0 | 0 | 109.3 | Q398 M399 C401 L438 M440 L450 I485 L495 | Q398-L421 WeakPolarHBondContact CA-O 3.42Å; M399-L421 HydrophobicContact CG-CB 4.18Å; M399-L421 HydrophobicContact CG-CD2 4.35Å; M399-L421 PolarHBondContact N-O 2.88Å; M399-L421 PolarHBondContact O-N 2.93Å; M399-L421 HydrophobicContact SD-CD2 4.31Å; C401-L421 WeakPolarHBondContact SG-CB 3.41Å; L421-L438 HydrophobicContact CD1-CB 4.31Å; L421-L438 HydrophobicContact CD1-CD2 4.15Å; L421-L438 HydrophobicContact CG-CD2 4.44Å; L421-M440 HydrophobicContact CB-CB 4.48Å; L421-M440 HydrophobicContact CB-CG 4.13Å; L421-M440 HydrophobicContact CB-SD 4.39Å; L421-M440 HydrophobicContact CD1-CB 3.83Å; L421-M440 HydrophobicContact CD1-CG 4.33Å; L421-L450 HydrophobicContact CD1-CD2 4.27Å; L421-I485 HydrophobicContact CD2-CD1 3.97Å; L421-I485 HydrophobicContact CD2-CG2 3.88Å; L421-L495 HydrophobicContact CD2-CD1 4.4Å; L421-L495 HydrophobicContact CD2-CD2 3.63Å |
| 422 | R | 97.8 | Very high | 91.7 | Very high | 76 Ų | 76 | 60.7 Ų | 60.7 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 138.3 | 175.9 | -71.8 | 178.6 | 172.1 | 172.5 | -6.1 | 110 | E390 N395 L397 Q398 L438 V439 | E390-R422 WeakPolarHBondContact OE2-CD 3.39Å; E390-R422 IonicContact OE2-CZ 2.83Å; E390-R422 IonicContact OE2-NE 3.29Å; E390-R422 IonicContact OE2-NH1 3.22Å; E390-R422 PolarHBondContact OE2-NH1 3.17Å; N395-R422 WeakPolarHBondContact ND2-CB 3.25Å; L397-R422 WeakPolarHBondContact O-CA 3.45Å; Q398-R422 HydrophobicContact CB-CG 4.48Å; Q398-R422 HydrophobicContact CG-CG 4.05Å; R422-L438 WeakPolarHBondContact O-CA 3.3Å; R422-V439 HydrophobicContact CB-CB 4.49Å; R422-V439 PolarHBondContact N-O 3.34Å; R422-V439 PolarHBondContact O-N 3.07Å |
| 423 | L | 98.3 | Very high | 91 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 116.3 | 158.4 | 175 | 59.6 | 0 | 0 | 0 | 107.3 | N395 V396 L397 L438 L454 A498 L499 | N395-L423 PolarHBondContact ND2-O 2.65Å; V396-L423 HydrophobicContact CB-CD2 4.43Å; V396-L423 HydrophobicContact CB-CG 4.22Å; V396-L423 WeakPolarHBondContact CB-O 3.45Å; V396-L423 HydrophobicContact CG1-CD2 4.42Å; V396-L423 HydrophobicContact CG2-CG 4.38Å; V396-L423 PolarHBondContact N-O 2.91Å; L397-L423 HydrophobicContact CB-CB 4.38Å; L397-L423 PolarHBondContact N-O 3.46Å; L397-L423 PolarHBondContact O-N 2.8Å; L423-L438 HydrophobicContact CB-CD2 4Å; L423-L438 HydrophobicContact CD1-CD2 4.02Å; L423-L454 HydrophobicContact CD1-CD1 4.3Å; L423-A498 HydrophobicContact CD2-CB 3.62Å; L423-L499 HydrophobicContact CD1-CD2 4Å; L423-L499 HydrophobicContact CD2-CD2 4.35Å |
| 424 | N | 97.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 60.4 Ų | 60.4 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.7 | 178.6 | -71.5 | 4.8 | 0 | 0 | 0 | 109.9 | E393 S394 N395 S436 R437 | E393-N424 HydrophobicContact CB-CB 3.99Å; E393-N424 WeakPolarHBondContact OE2-CB 3.3Å; E393-N424 PolarHBondContact OE2-ND2 3.23Å; S394-N424 CarbonylContact O-C 3.59Å; S394-N424 WeakPolarHBondContact O-CA 3.39Å; N395-N424 PolarHBondContact ND2-OD1 2.86Å; N424-S436 CarbonylContact O-C 3.58Å; N424-S436 VanDerWaalsContact O-CA 3.26Å; N424-S436 WeakPolarHBondContact O-CA 3.34Å; N424-R437 HydrophobicContact CB-CG 4.33Å; N424-R437 PolarHBondContact N-O 3.04Å; N424-R437 PolarHBondContact O-N 3.5Å |
| 425 | D | 96.4 | Very high | 90.4 | Very high | 17 Ų | 17 | 60.8 Ų | 60.8 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 132.4 | 170.3 | -72.1 | -16.9 | 0 | 0 | 0 | 110.4 | S394 V396 L434 S436 R502 | S394-D425 PolarHBondContact N-O 2.87Å; S394-D425 PolarHBondContact O-N 2.95Å; V396-D425 HydrophobicContact CG2-CB 3.99Å; V396-D425 WeakPolarHBondContact CG2-OD2 3.32Å; D425-L434 HydrophobicContact CB-CD1 3.86Å; D425-L434 HydrophobicContact CB-CG 4.26Å; D425-S436 VanDerWaalsContact OD1-CB 3.24Å; D425-S436 WeakPolarHBondContact OD1-CB 3.48Å; D425-S436 PolarHBondContact OD1-OG 3.28Å; D425-R502 IonicContact OD1-CZ 2.7Å; D425-R502 IonicContact OD1-NE 2.7Å; D425-R502 PolarHBondContact OD1-NE 2.84Å; D425-R502 IonicContact OD1-NH2 3.04Å; D425-R502 IonicContact OD2-CZ 3.84Å; D425-R502 IonicContact OD2-NE 2.65Å; D425-R502 PolarHBondContact OD2-NE 3.07Å; D425-R502 IonicContact OD2-NH2 3.29Å; D425-R502 PolarHBondContact OD2-NH2 3.34Å |
| 426 | M | 91.1 | Very high | 90.3 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.6 | 168.1 | -173 | 178.7 | 69.4 | 0 | 0 | 108.1 | E393 Q435 | E393-M426 HydrophobicContact CG-CB 4.24Å; M426-Q435 HydrophobicContact CE-CB 4.33Å; M426-Q435 HydrophobicContact CE-CG 4.44Å; M426-Q435 PolarHBondContact N-O 3.48Å; M426-Q435 PolarHBondContact O-N 2.83Å |
| 427 | A | 85.6 | Confident | 90.3 | Very high | 74 Ų | 74 | 56.7 Ų | 56.7 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 127.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109 | T429 | A427-T429 PolarHBondContact O-N 2.84Å |
| 428 | S | 80 | Confident | 90.3 | Very high | 32 Ų | 32 | 56.1 Ų | 56.1 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | trans | -68.1 | 126.3 | 167.7 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | D430 G432 T433 | S428-D430 PolarHBondContact O-N 2.96Å; S428-G432 VanDerWaalsContact O-CA 3.32Å; S428-G432 WeakPolarHBondContact O-CA 3.24Å; S428-G432 PolarHBondContact O-N 2.89Å; S428-T433 VanDerWaalsContact CB-O 3.32Å; S428-T433 WeakPolarHBondContact CB-O 3.32Å; S428-T433 PolarHBondContact N-O 2.82Å | ||
| 429 | T | 73.6 | Confident | 90.3 | Very high | 134 Ų | 134 | 49.1 Ų | 49.1 | 82% | 0.822 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -35.3 | 175.2 | -47.4 | 0 | 0 | 0 | 0 | 111.8 | A427 | A427-T429 PolarHBondContact O-N 2.84Š|
| 430 | D | 73.5 | Confident | 90.2 | Very high | 141 Ų | 141 | 49.1 Ų | 49.1 | 75% | 0.754 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -57.3 | -164.9 | -38.1 | -77.5 | 0 | 0 | 0 | 112.4 | S428 G432 | S428-D430 PolarHBondContact O-N 2.96Å; D430-G432 VanDerWaalsContact C-N 3.33Å; D430-G432 PolarHBondContact O-N 3.22Å |
| 431 | D | 75.2 | Confident | 90.2 | Very high | 99 Ų | 99 | 49.8 Ų | 49.8 | 53% | 0.529 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -15 | 177.1 | -73.8 | 5.5 | 0 | 0 | 0 | 113.9 | T433 R509 | D431-T433 HydrophobicContact CB-CG2 3.63Å; D431-T433 VanDerWaalsContact CB-OG1 3.26Å; D431-T433 WeakPolarHBondContact CB-OG1 3.26Å; D431-T433 PolarHBondContact O-N 2.89Å; D431-T433 PolarHBondContact OD2-OG1 3.22Å; D431-R509 IonicContact OD2-CZ 3.4Å; D431-R509 IonicContact OD2-NH1 4Å; D431-R509 PolarHBondContact OD2-NH1 2.97Å; D431-R509 IonicContact OD2-NH2 3.7Å; D431-R509 PolarHBondContact OD2-NH2 3.49Å |
| 432 | G | 77 | Confident | 90.1 | Very high | 65 Ų | 65 | 50.4 Ų | 50.4 | 67% | 0.67 | 29% | 0.286 | S | S | * | . | trans | 65.2 | 8.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | S428 D430 | S428-G432 VanDerWaalsContact O-CA 3.32Å; S428-G432 WeakPolarHBondContact O-CA 3.24Å; S428-G432 PolarHBondContact O-N 2.89Å; D430-G432 VanDerWaalsContact C-N 3.33Å; D430-G432 PolarHBondContact O-N 3.22Å | ||
| 433 | T | 83.6 | Confident | 90 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | trans | -84 | 143.4 | -171.4 | 57 | 0 | 0 | 0 | 0 | 113.1 | S428 D431 R509 | S428-T433 VanDerWaalsContact CB-O 3.32Å; S428-T433 WeakPolarHBondContact CB-O 3.32Å; S428-T433 PolarHBondContact N-O 2.82Å; D431-T433 HydrophobicContact CB-CG2 3.63Å; D431-T433 VanDerWaalsContact CB-OG1 3.26Å; D431-T433 WeakPolarHBondContact CB-OG1 3.26Å; D431-T433 PolarHBondContact O-N 2.89Å; D431-T433 PolarHBondContact OD2-OG1 3.22Å; T433-R509 VanDerWaalsContact CB-NH1 3.28Å; T433-R509 VanDerWaalsContact CG2-NH1 3.28Å; T433-R509 PolarHBondContact OG1-NH1 2.77Å | ||
| 434 | L | 88.9 | Confident | 89.9 | Confident | 93 Ų | 93 | 56.3 Ų | 56.3 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 120.2 | -176 | -162.6 | 70.7 | 0 | 0 | 0 | 110.8 | D425 | D425-L434 HydrophobicContact CB-CD1 3.86Å; D425-L434 HydrophobicContact CB-CG 4.26Å |
| 435 | Q | 93.5 | Very high | 89.8 | Confident | 75 Ų | 75 | 60.7 Ų | 60.7 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 115.2 | 178.6 | -177.5 | 161.9 | 103.5 | 0 | 0 | 110.9 | M426 K453 | M426-Q435 HydrophobicContact CE-CB 4.33Å; M426-Q435 HydrophobicContact CE-CG 4.44Å; M426-Q435 PolarHBondContact N-O 3.48Å; M426-Q435 PolarHBondContact O-N 2.83Å; Q435-K453 HydrophobicContact CG-CD 4.27Å |
| 436 | S | 96.6 | Very high | 89.7 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.028 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 148.7 | -173.9 | -49.4 | 0 | 0 | 0 | 0 | 113 | N424 D425 K453 L454 R502 | N424-S436 CarbonylContact O-C 3.58Å; N424-S436 VanDerWaalsContact O-CA 3.26Å; N424-S436 WeakPolarHBondContact O-CA 3.34Å; D425-S436 VanDerWaalsContact OD1-CB 3.24Å; D425-S436 WeakPolarHBondContact OD1-CB 3.48Å; D425-S436 PolarHBondContact OD1-OG 3.28Å; S436-K453 WeakPolarHBondContact O-CA 3.39Å; S436-L454 PolarHBondContact O-N 3.24Å; S436-R502 WeakPolarHBondContact OG-CD 3.45Å; S436-R502 PolarHBondContact OG-NE 2.81Å |
| 437 | R | 96.8 | Very high | 89.9 | Confident | 43 Ų | 43 | 68 Ų | 68 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151.6 | 169.4 | 63.4 | 169.4 | 177.2 | 177.8 | -5.7 | 113.6 | G389 E393 N424 V439 T452 K453 | G389-R437 PolarHBondContact O-NH2 3.37Å; E393-R437 IonicContact OE1-CZ 2.71Å; E393-R437 VanDerWaalsContact OE1-CZ 3.28Å; E393-R437 IonicContact OE1-NE 2.85Å; E393-R437 PolarHBondContact OE1-NE 2.95Å; E393-R437 IonicContact OE1-NH2 3.98Å; E393-R437 PolarHBondContact OE1-NH2 3.37Å; E393-R437 IonicContact OE2-CZ 3.22Å; E393-R437 VanDerWaalsContact OE2-CZ 3.22Å; E393-R437 IonicContact OE2-NE 2.85Å; E393-R437 PolarHBondContact OE2-NE 2.89Å; E393-R437 IonicContact OE2-NH2 2.73Å; E393-R437 PolarHBondContact OE2-NH2 3.2Å; N424-R437 HydrophobicContact CB-CG 4.33Å; N424-R437 PolarHBondContact N-O 3.04Å; N424-R437 PolarHBondContact O-N 3.5Å; R437-V439 HydrophobicContact CG-CG2 4.01Å; R437-T452 CarbonylContact C-O 3.58Å; R437-T452 WeakPolarHBondContact CA-O 3.3Å; R437-T452 VanDerWaalsContact CB-O 3.24Å; R437-T452 WeakPolarHBondContact CB-O 3.3Å; R437-K453 HydrophobicContact CB-CG 4.42Å |
| 438 | L | 98.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.4 | 166.9 | -72.7 | 174.1 | 0 | 0 | 0 | 109.9 | L421 R422 L423 L450 N451 T452 L454 I470 I485 L495 L499 | L421-L438 HydrophobicContact CD1-CB 4.31Å; L421-L438 HydrophobicContact CD1-CD2 4.15Å; L421-L438 HydrophobicContact CG-CD2 4.44Å; R422-L438 WeakPolarHBondContact O-CA 3.3Å; L423-L438 HydrophobicContact CB-CD2 4Å; L423-L438 HydrophobicContact CD1-CD2 4.02Å; L438-L450 HydrophobicContact CB-CD2 4.21Å; L438-N451 WeakPolarHBondContact O-CA 3.22Å; L438-T452 HydrophobicContact CB-CG2 3.96Å; L438-T452 PolarHBondContact N-O 3.42Å; L438-T452 PolarHBondContact O-N 2.85Å; L438-L454 HydrophobicContact CD1-CD2 4.36Å; L438-L454 HydrophobicContact CG-CD2 4.23Å; L438-I470 HydrophobicContact CD1-CD1 3.92Å; L438-I485 HydrophobicContact CD1-CD1 4.45Å; L438-L495 HydrophobicContact CD2-CD1 4.05Å; L438-L499 HydrophobicContact CD1-CD1 4.02Å; L438-L499 HydrophobicContact CD1-CD2 3.99Å; L438-L499 HydrophobicContact CD2-CD2 4.05Å; L438-L499 HydrophobicContact CG-CD2 4.05Å |
| 439 | V | 97.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.024 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 127.8 | 179.1 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | R422 R437 L448 L450 | R422-V439 HydrophobicContact CB-CB 4.49Å; R422-V439 PolarHBondContact N-O 3.34Å; R422-V439 PolarHBondContact O-N 3.07Å; R437-V439 HydrophobicContact CG-CG2 4.01Å; V439-L448 HydrophobicContact CG1-CD1 3.8Å; V439-L450 WeakPolarHBondContact CA-O 3.44Å |
| 440 | M | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.1 | 177.1 | -165.6 | 179.1 | 174.5 | 0 | 0 | 112 | C401 L403 L420 L421 I449 L450 | C401-M440 VanDerWaalsContact O-CE 3.32Å; C401-M440 WeakPolarHBondContact O-CE 3.34Å; C401-M440 WeakPolarHBondContact SG-CE 3.31Å; L403-M440 HydrophobicContact CB-CE 4.17Å; L403-M440 HydrophobicContact CB-SD 3.64Å; L403-M440 HydrophobicContact CD2-SD 4.05Å; L403-M440 HydrophobicContact CG-SD 4.36Å; L420-M440 WeakPolarHBondContact O-CA 3.02Å; L421-M440 HydrophobicContact CB-CB 4.48Å; L421-M440 HydrophobicContact CB-CG 4.13Å; L421-M440 HydrophobicContact CB-SD 4.39Å; L421-M440 HydrophobicContact CD1-CB 3.83Å; L421-M440 HydrophobicContact CD1-CG 4.33Å; M440-I449 HydrophobicContact CB-CG1 4.19Å; M440-I449 HydrophobicContact CE-CD1 4.06Å; M440-I449 HydrophobicContact CG-CD1 4.13Å; M440-I449 HydrophobicContact CG-CG1 4.11Å; M440-I449 WeakPolarHBondContact O-CG1 3.24Å; M440-I449 PolarHBondContact O-N 2.72Å; M440-I449 HydrophobicContact SD-CD1 3.92Å; M440-I449 HydrophobicContact SD-CG1 4.4Å; M440-L450 HydrophobicContact CB-CB 3.84Å; M440-L450 PolarHBondContact N-O 2.9Å; M440-L450 PolarHBondContact O-N 2.73Å |
| 441 | R | 96.1 | Very high | 93.4 | Very high | 72 Ų | 72 | 55.6 Ų | 55.6 | 27% | 0.272 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.3 | 175.5 | -64.8 | 177 | -174.3 | -95.3 | 5.7 | 110.3 | E390 G419 L420 R447 L448 | E390-R441 IonicContact OE1-CZ 3.22Å; E390-R441 IonicContact OE1-NE 2.81Å; E390-R441 PolarHBondContact OE1-NE 2.75Å; E390-R441 IonicContact OE1-NH2 2.72Å; E390-R441 PolarHBondContact OE1-NH2 2.7Å; G419-R441 WeakPolarHBondContact CA-O 3.17Å; L420-R441 PolarHBondContact N-O 3.29Å; L420-R441 VanDerWaalsContact N-O 3.07Å; L420-R441 PolarHBondContact O-N 3.43Å; R441-R447 WeakPolarHBondContact CA-O 3.43Å; R441-L448 HydrophobicContact CG-CD1 4.11Å |
| 442 | T | 97.7 | Very high | 94.4 | Very high | 14 Ų | 14 | 51 Ų | 51 | 9% | 0.086 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 145.1 | 177.3 | 45.1 | 0 | 0 | 0 | 0 | 112.3 | R418 S445 L446 R447 I449 | R418-T442 WeakPolarHBondContact O-CA 3.23Å; T442-S445 PolarHBondContact OG1-OG 3.47Å; T442-L446 VanDerWaalsContact O-CA 3.31Å; T442-L446 WeakPolarHBondContact O-CA 3.49Å; T442-L446 PolarHBondContact O-N 3.06Å; T442-L446 VanDerWaalsContact O-N 3.12Å; T442-R447 PolarHBondContact N-O 3.27Å; T442-R447 WeakPolarHBondContact OG1-CB 3.48Å; T442-R447 PolarHBondContact OG1-N 3.18Å; T442-R447 PolarHBondContact OG1-O 3.44Å; T442-I449 HydrophobicContact CG2-CD1 3.76Å; T442-I449 HydrophobicContact CG2-CG1 4.15Å; T442-I449 HydrophobicContact CG2-CG2 3.73Å |
| 443 | Q | 96.5 | Very high | 95.4 | Very high | 128 Ų | 128 | 53.5 Ų | 53.5 | 60% | 0.598 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | 139.5 | 173.7 | -171.1 | 171.7 | -0 | 0 | 0 | 110.5 | R418 S445 | R418-Q443 PolarHBondContact O-N 3.26Å; Q443-S445 PolarHBondContact O-N 3.48Å |
| 444 | G | 95.3 | Very high | 96 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 75% | 0.753 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -76 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L446 | G444-L446 VanDerWaalsContact C-N 3.35Å; G444-L446 PolarHBondContact O-N 2.71Å |
| 445 | S | 95.3 | Very high | 96.4 | Very high | 95 Ų | 95 | 51.1 Ų | 51.1 | 66% | 0.664 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -7.5 | -173.1 | 58.9 | 0 | 0 | 0 | 0 | 115.3 | T442 Q443 R447 | T442-S445 PolarHBondContact OG1-OG 3.47Å; Q443-S445 PolarHBondContact O-N 3.48Å; S445-R447 PolarHBondContact O-N 3.12Å |
| 446 | L | 94 | Very high | 96.5 | Very high | 114 Ų | 114 | 47.7 Ų | 47.7 | 60% | 0.597 | 25% | 0.247 | S | C | * | . | trans | 55.9 | 12.7 | 178.3 | -55.7 | 178.9 | 0 | 0 | 0 | 115.4 | T442 G444 L448 | T442-L446 VanDerWaalsContact O-CA 3.31Å; T442-L446 WeakPolarHBondContact O-CA 3.49Å; T442-L446 PolarHBondContact O-N 3.06Å; T442-L446 VanDerWaalsContact O-N 3.12Å; G444-L446 VanDerWaalsContact C-N 3.35Å; G444-L446 PolarHBondContact O-N 2.71Å; L446-L448 PolarHBondContact O-N 2.85Å | ||
| 447 | R | 94.9 | Very high | 96.5 | Very high | 128 Ų | 128 | 53.2 Ų | 53.2 | 48% | 0.483 | 27% | 0.273 | S | S | . | . | trans | -57.1 | 125.2 | 175.4 | -176.1 | -179.6 | 73.4 | 130.6 | 0.1 | 109.2 | R441 T442 S445 | R441-R447 WeakPolarHBondContact CA-O 3.43Å; T442-R447 PolarHBondContact N-O 3.27Å; T442-R447 WeakPolarHBondContact OG1-CB 3.48Å; T442-R447 PolarHBondContact OG1-N 3.18Å; T442-R447 PolarHBondContact OG1-O 3.44Å; S445-R447 PolarHBondContact O-N 3.12Å | ||
| 448 | L | 95.3 | Very high | 96.5 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 129.4 | 173.5 | -171.1 | 67.9 | 0 | 0 | 0 | 109.4 | V439 R441 L446 L450 N451 | V439-L448 HydrophobicContact CG1-CD1 3.8Å; R441-L448 HydrophobicContact CG-CD1 4.11Å; L446-L448 PolarHBondContact O-N 2.85Å; L448-L450 WeakPolarHBondContact CD1-O 3.06Å; L448-N451 HydrophobicContact CD1-CB 4.29Å; L448-N451 HydrophobicContact CD2-CB 4.03Å; L448-N451 HydrophobicContact CG-CB 4.36Å |
| 449 | I | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | -6.7 | -178.1 | 53.3 | 163.2 | 0 | 0 | 0 | 114 | L403 R416 M440 T442 | L403-I449 HydrophobicContact CB-CD1 4.49Å; L403-I449 HydrophobicContact CD2-CD1 4.26Å; L403-I449 HydrophobicContact CD2-CG1 4.45Å; R416-I449 HydrophobicContact CG-CB 4.15Å; M440-I449 HydrophobicContact CB-CG1 4.19Å; M440-I449 HydrophobicContact CE-CD1 4.06Å; M440-I449 HydrophobicContact CG-CD1 4.13Å; M440-I449 HydrophobicContact CG-CG1 4.11Å; M440-I449 WeakPolarHBondContact O-CG1 3.24Å; M440-I449 PolarHBondContact O-N 2.72Å; M440-I449 HydrophobicContact SD-CD1 3.92Å; M440-I449 HydrophobicContact SD-CG1 4.4Å; T442-I449 HydrophobicContact CG2-CD1 3.76Å; T442-I449 HydrophobicContact CG2-CG1 4.15Å; T442-I449 HydrophobicContact CG2-CG2 3.73Å |
| 450 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 135 | 167.1 | -174.6 | 65.7 | 0 | 0 | 0 | 108.6 | L403 L421 L438 V439 M440 L448 T452 A472 F483 | L403-L450 HydrophobicContact CD1-CD2 4.48Å; L403-L450 HydrophobicContact CD2-CB 3.89Å; L403-L450 HydrophobicContact CD2-CD2 4.46Å; L421-L450 HydrophobicContact CD1-CD2 4.27Å; L438-L450 HydrophobicContact CB-CD2 4.21Å; V439-L450 WeakPolarHBondContact CA-O 3.44Å; M440-L450 HydrophobicContact CB-CB 3.84Å; M440-L450 PolarHBondContact N-O 2.9Å; M440-L450 PolarHBondContact O-N 2.73Å; L448-L450 WeakPolarHBondContact CD1-O 3.06Å; L450-T452 HydrophobicContact CD1-CG2 4.08Å; L450-T452 HydrophobicContact CD2-CG2 4.46Å; L450-T452 HydrophobicContact CG-CG2 4.21Å; L450-A472 HydrophobicContact CD1-CB 4.04Å; L450-F483 HydrophobicContact CD1-CE1 4.44Å; L450-F483 HydrophobicContact CD1-CZ 4.33Å |
| 451 | N | 96.5 | Very high | 96.6 | Very high | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 92.7 | 170.3 | -177.8 | 12.9 | 0 | 0 | 0 | 107.8 | L438 L448 T475 | L438-N451 WeakPolarHBondContact O-CA 3.22Å; L448-N451 HydrophobicContact CD1-CB 4.29Å; L448-N451 HydrophobicContact CD2-CB 4.03Å; L448-N451 HydrophobicContact CG-CB 4.36Å; N451-T475 HydrophobicContact CB-CG2 4.03Å |
| 452 | T | 97.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 131 | -174.8 | -173.4 | 0 | 0 | 0 | 0 | 110.1 | R437 L438 L450 M458 A472 M473 | R437-T452 CarbonylContact C-O 3.58Å; R437-T452 WeakPolarHBondContact CA-O 3.3Å; R437-T452 VanDerWaalsContact CB-O 3.24Å; R437-T452 WeakPolarHBondContact CB-O 3.3Å; L438-T452 HydrophobicContact CB-CG2 3.96Å; L438-T452 PolarHBondContact N-O 3.42Å; L438-T452 PolarHBondContact O-N 2.85Å; L450-T452 HydrophobicContact CD1-CG2 4.08Å; L450-T452 HydrophobicContact CD2-CG2 4.46Å; L450-T452 HydrophobicContact CG-CG2 4.21Å; T452-M458 HydrophobicContact CG2-CE 4.47Å; T452-A472 HydrophobicContact CG2-CB 3.75Å; T452-M473 PolarHBondContact OG1-N 3.34Å |
| 453 | K | 96.5 | Very high | 96.7 | Very high | 117 Ų | 117 | 62.4 Ų | 62.4 | 51% | 0.509 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 158.1 | 161.6 | -72.2 | -173.1 | -175.8 | -178.2 | 0 | 109.6 | Q435 S436 R437 | Q435-K453 HydrophobicContact CG-CD 4.27Å; S436-K453 WeakPolarHBondContact O-CA 3.39Å; R437-K453 HydrophobicContact CB-CG 4.42Å |
| 454 | L | 97.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 58.9 Ų | 58.9 | 7% | 0.068 | 32% | 0.318 | C | S | . | . | trans | -85.7 | 149.3 | 163.9 | -48.8 | -173.3 | 0 | 0 | 0 | 109.4 | L423 S436 L438 M458 L499 R502 L506 | L423-L454 HydrophobicContact CD1-CD1 4.3Å; S436-L454 PolarHBondContact O-N 3.24Å; L438-L454 HydrophobicContact CD1-CD2 4.36Å; L438-L454 HydrophobicContact CG-CD2 4.23Å; L454-M458 HydrophobicContact CB-SD 4.18Å; L454-M458 HydrophobicContact CD2-CE 3.87Å; L454-M458 HydrophobicContact CD2-SD 3.6Å; L454-M458 VanDerWaalsContact CD2-SD 3.6Å; L454-M458 HydrophobicContact CG-SD 4.46Å; L454-L499 HydrophobicContact CD1-CD2 3.59Å; L454-L499 HydrophobicContact CD2-CD2 3.68Å; L454-L499 HydrophobicContact CG-CD2 4.3Å; L454-R502 HydrophobicContact CD1-CB 3.7Å; L454-R502 HydrophobicContact CD1-CG 4.44Å; L454-L506 HydrophobicContact CB-CD1 3.94Å | ||
| 455 | W | 96.2 | Very high | 96.9 | Very high | 69 Ų | 69 | 61.1 Ų | 61.1 | 26% | 0.261 | 31% | 0.309 | S | S | . | . | trans | -139 | 161.1 | 175.1 | 68.3 | 100.1 | 0 | 0 | 0 | 110.9 | Q457 M458 T471 M473 V480 | W455-Q457 PolarHBondContact O-N 3.24Å; W455-M458 HydrophobicContact CD2-CB 3.73Å; W455-M458 HydrophobicContact CD2-CG 4.1Å; W455-M458 HydrophobicContact CE3-CB 4.12Å; W455-M458 HydrophobicContact CE3-CG 4.02Å; W455-M458 HydrophobicContact CE3-SD 4.15Å; W455-M458 HydrophobicContact CG-CB 4.07Å; W455-M458 HydrophobicContact CH2-CG 4.02Å; W455-M458 HydrophobicContact CZ2-CB 4.19Å; W455-M458 HydrophobicContact CZ2-CG 4.07Å; W455-M458 HydrophobicContact CZ3-CE 4.08Å; W455-M458 HydrophobicContact CZ3-CG 3.99Å; W455-M458 HydrophobicContact CZ3-SD 4.2Å; W455-M458 WeakPolarHBondContact O-CB 3.42Å; W455-M458 PolarHBondContact O-N 3.22Å; W455-M458 VanDerWaalsContact O-N 3.14Å; W455-T471 VanDerWaalsContact CH2-O 3.3Å; W455-T471 WeakPolarHBondContact CH2-O 3.34Å; W455-M473 HydrophobicContact CZ3-CG 4.42Å; W455-V480 HydrophobicContact CZ2-CG1 4.44Å | ||
| 456 | A | 96.4 | Very high | 97 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.033 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -46.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | M458 L506 R507 V510 | A456-M458 PolarHBondContact O-N 3.27Å; A456-L506 HydrophobicContact CB-CB 4.09Å; A456-R507 HydrophobicContact CB-CG 3.93Å; A456-R507 VanDerWaalsContact O-CG 3.28Å; A456-R507 WeakPolarHBondContact O-CG 3.4Å; A456-R507 PolarHBondContact O-NE 3.22Å; A456-V510 HydrophobicContact CB-CB 4.26Å; A456-V510 HydrophobicContact CB-CG2 3.91Å |
| 457 | Q | 96.5 | Very high | 97.3 | Very high | 119 Ų | 119 | 57 Ų | 57 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 6.7 | -179.1 | -61.1 | 77.5 | 7.5 | 0 | 0 | 113.7 | W455 Q459 | W455-Q457 PolarHBondContact O-N 3.24Å; Q457-Q459 PolarHBondContact O-N 3.04Å; Q457-Q459 PolarHBondContact O-NE2 3.03Å |
| 458 | M | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -59.6 | 127.5 | 178.4 | -167.9 | -177.8 | -167 | 0 | 0 | 110 | T452 L454 W455 A456 I470 T471 I503 R507 | T452-M458 HydrophobicContact CG2-CE 4.47Å; L454-M458 HydrophobicContact CB-SD 4.18Å; L454-M458 HydrophobicContact CD2-CE 3.87Å; L454-M458 HydrophobicContact CD2-SD 3.6Å; L454-M458 VanDerWaalsContact CD2-SD 3.6Å; L454-M458 HydrophobicContact CG-SD 4.46Å; W455-M458 HydrophobicContact CD2-CB 3.73Å; W455-M458 HydrophobicContact CD2-CG 4.1Å; W455-M458 HydrophobicContact CE3-CB 4.12Å; W455-M458 HydrophobicContact CE3-CG 4.02Å; W455-M458 HydrophobicContact CE3-SD 4.15Å; W455-M458 HydrophobicContact CG-CB 4.07Å; W455-M458 HydrophobicContact CH2-CG 4.02Å; W455-M458 HydrophobicContact CZ2-CB 4.19Å; W455-M458 HydrophobicContact CZ2-CG 4.07Å; W455-M458 HydrophobicContact CZ3-CE 4.08Å; W455-M458 HydrophobicContact CZ3-CG 3.99Å; W455-M458 HydrophobicContact CZ3-SD 4.2Å; W455-M458 WeakPolarHBondContact O-CB 3.42Å; W455-M458 PolarHBondContact O-N 3.22Å; W455-M458 VanDerWaalsContact O-N 3.14Å; A456-M458 PolarHBondContact O-N 3.27Å; M458-I470 HydrophobicContact CE-CB 4.46Å; M458-I470 HydrophobicContact CE-CD1 4.22Å; M458-T471 WeakPolarHBondContact CE-O 3.05Å; M458-T471 WeakPolarHBondContact CG-O 3.4Å; M458-I503 HydrophobicContact CB-CD1 4.12Å; M458-I503 HydrophobicContact CB-CG1 4.36Å; M458-I503 HydrophobicContact CG-CD1 4.23Å; M458-I503 HydrophobicContact SD-CD1 3.83Å; M458-I503 HydrophobicContact SD-CG1 4.36Å; M458-R507 PolarHBondContact O-NH2 2.98Å | ||
| 459 | Q | 98 | Very high | 97.6 | Very high | 114 Ų | 114 | 52.9 Ų | 52.9 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | trans | -84.3 | 132.3 | 176 | -58.5 | -56.6 | -56 | 0 | 0 | 109.4 | Q457 I470 T471 | Q457-Q459 PolarHBondContact O-N 3.04Å; Q457-Q459 PolarHBondContact O-NE2 3.03Å; Q459-I470 VanDerWaalsContact O-CA 3.31Å; Q459-I470 WeakPolarHBondContact O-CA 3.32Å; Q459-T471 HydrophobicContact CB-CG2 3.88Å; Q459-T471 HydrophobicContact CG-CG2 4.19Å; Q459-T471 PolarHBondContact N-OG1 3.35Å; Q459-T471 PolarHBondContact O-N 3.29Å; Q459-T471 PolarHBondContact O-OG1 3.48Å | ||
| 460 | I | 98.3 | Very high | 97.7 | Very high | 21 Ų | 21 | 53 Ų | 53 | 11% | 0.108 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 122.9 | 178.3 | 177.8 | 166.8 | 0 | 0 | 0 | 109.5 | I468 R469 I470 Y496 L499 I503 | I460-I468 HydrophobicContact CD1-CG2 4.02Å; I460-I468 HydrophobicContact CG1-CG2 3.7Å; I460-R469 WeakPolarHBondContact CA-O 3.26Å; I460-I470 HydrophobicContact CB-CG2 4.14Å; I460-I470 HydrophobicContact CD1-CG2 4.2Å; I460-I470 HydrophobicContact CG1-CG2 3.91Å; I460-Y496 HydrophobicContact CD1-CD2 4.01Å; I460-Y496 HydrophobicContact CD1-CE2 4.29Å; I460-Y496 HydrophobicContact CG1-CD2 3.95Å; I460-Y496 HydrophobicContact CG1-CE2 3.84Å; I460-L499 HydrophobicContact CD1-CB 3.4Å; I460-L499 VanDerWaalsContact CD1-CB 3.4Å; I460-L499 HydrophobicContact CD1-CD1 3.64Å; I460-L499 HydrophobicContact CD1-CG 4.17Å; I460-I503 HydrophobicContact CB-CD1 4.24Å; I460-I503 HydrophobicContact CG2-CD1 3.66Å |
| 461 | D | 97.5 | Very high | 97.7 | Very high | 53 Ų | 53 | 54.1 Ų | 54.1 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 145.6 | 176.5 | 74.6 | -98.2 | 0 | 0 | 0 | 111.9 | A463 I468 R469 | D461-A463 VanDerWaalsContact C-N 3.3Å; D461-A463 PolarHBondContact O-N 3.3Å; D461-A463 PolarHBondContact OD2-N 3.46Å; D461-I468 WeakPolarHBondContact O-CA 3.01Å; D461-I468 WeakPolarHBondContact O-CG2 3.28Å; D461-R469 PolarHBondContact N-O 2.92Å; D461-R469 PolarHBondContact O-N 2.82Å; D461-R469 WeakPolarHBondContact OD1-CB 3.48Å; D461-R469 IonicContact OD1-CZ 3.39Å; D461-R469 IonicContact OD1-NE 3.34Å; D461-R469 PolarHBondContact OD1-NE 3.2Å; D461-R469 IonicContact OD1-NH2 2.74Å; D461-R469 PolarHBondContact OD1-NH2 3.36Å; D461-R469 VanDerWaalsContact OD1-NH2 3.17Å; D461-R469 IonicContact OD2-CZ 2.8Å; D461-R469 IonicContact OD2-NE 3.28Å; D461-R469 PolarHBondContact OD2-NE 3.04Å; D461-R469 IonicContact OD2-NH2 3.96Å; D461-R469 PolarHBondContact OD2-NH2 3.33Å |
| 462 | K | 97.9 | Very high | 97.8 | Very high | 90 Ų | 90 | 51.1 Ų | 51.1 | 39% | 0.391 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 74.9 | -179.8 | -169.9 | 174.9 | 177.4 | -178 | 0 | 109.9 | S464 Y496 | K462-S464 WeakPolarHBondContact CE-O 3.17Å; K462-S464 VanDerWaalsContact CG-O 3.23Å; K462-S464 WeakPolarHBondContact CG-O 3.24Å; K462-S464 PolarHBondContact O-N 3.32Å; K462-Y496 HydrophobicContact CB-CD2 3.96Å; K462-Y496 HydrophobicContact CB-CE2 3.93Å; K462-Y496 HydrophobicContact CB-CG 4.4Å |
| 463 | A | 98 | Very high | 97.8 | Very high | 47 Ų | 47 | 54.9 Ų | 54.9 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.6 | -26 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | D461 S467 R469 L484 | D461-A463 VanDerWaalsContact C-N 3.3Å; D461-A463 PolarHBondContact O-N 3.3Å; D461-A463 PolarHBondContact OD2-N 3.46Å; A463-S467 PolarHBondContact N-O 3.19Å; A463-R469 HydrophobicContact CB-CB 4.07Å; A463-L484 HydrophobicContact CB-CD1 4.02Å |
| 464 | S | 98.2 | Very high | 97.7 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 38% | 0.378 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 178.4 | 163.3 | 76.7 | 0 | 0 | 0 | 0 | 111.9 | K462 K466 S467 | K462-S464 WeakPolarHBondContact CE-O 3.17Å; K462-S464 VanDerWaalsContact CG-O 3.23Å; K462-S464 WeakPolarHBondContact CG-O 3.24Å; K462-S464 PolarHBondContact O-N 3.32Å; S464-K466 PolarHBondContact O-N 3.25Å; S464-K466 VanDerWaalsContact O-N 3.07Å; S464-K466 PolarHBondContact OG-N 3.49Å; S464-K466 VanDerWaalsContact OG-N 3.13Å; S464-S467 WeakPolarHBondContact CB-OG 3.44Å; S464-S467 PolarHBondContact N-O 2.65Å; S464-S467 PolarHBondContact N-OG 2.72Å; S464-S467 PolarHBondContact O-N 3.47Å; S464-S467 VanDerWaalsContact O-O 3.05Å; S464-S467 PolarHBondContact OG-N 2.94Å; S464-S467 PolarHBondContact OG-OG 2.71Å |
| 465 | E | 98.3 | Very high | 97.4 | Very high | 121 Ų | 121 | 51.5 Ų | 51.5 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -31 | 170.3 | -160.4 | -154.9 | 142.9 | 0 | 0 | 112.9 | S489 T492 | E465-S489 VanDerWaalsContact CD-OG 3.28Å; E465-S489 WeakPolarHBondContact OE1-CB 3.32Å; E465-S489 PolarHBondContact OE1-OG 3.36Å; E465-T492 WeakPolarHBondContact O-CB 3.47Å; E465-T492 WeakPolarHBondContact O-CG2 3.5Å |
| 466 | K | 98.6 | Very high | 97 | Very high | 108 Ų | 108 | 53.3 Ų | 53.3 | 47% | 0.47 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 11.3 | -172.2 | -67 | 175.1 | -173.8 | 170.5 | 0 | 113.7 | S464 S486 A487 S489 T492 | S464-K466 PolarHBondContact O-N 3.25Å; S464-K466 VanDerWaalsContact O-N 3.07Å; S464-K466 PolarHBondContact OG-N 3.49Å; S464-K466 VanDerWaalsContact OG-N 3.13Å; K466-S486 WeakPolarHBondContact O-CA 3.43Å; K466-A487 WeakPolarHBondContact CB-O 3.32Å; K466-A487 PolarHBondContact O-N 3.37Å; K466-S489 WeakPolarHBondContact CE-OG 3.38Å; K466-S489 WeakPolarHBondContact CG-OG 3.43Å; K466-T492 VanDerWaalsContact C-OG1 3.29Å; K466-T492 WeakPolarHBondContact CA-OG1 3.31Å; K466-T492 PolarHBondContact O-OG1 2.97Å |
| 467 | S | 98.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 10% | 0.098 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 143.2 | 175.4 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | A463 S464 I485 | A463-S467 PolarHBondContact N-O 3.19Å; S464-S467 WeakPolarHBondContact CB-OG 3.44Å; S464-S467 PolarHBondContact N-O 2.65Å; S464-S467 PolarHBondContact N-OG 2.72Å; S464-S467 PolarHBondContact O-N 3.47Å; S464-S467 VanDerWaalsContact O-O 3.05Å; S464-S467 PolarHBondContact OG-N 2.94Å; S464-S467 PolarHBondContact OG-OG 2.71Å; S467-I485 CarbonylContact C-O 3.51Å; S467-I485 WeakPolarHBondContact CA-O 3.2Å |
| 468 | I | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.6 | 170.5 | -44.8 | -178.2 | 0 | 0 | 0 | 107.6 | I460 D461 I470 L484 I485 T492 L495 Y496 | I460-I468 HydrophobicContact CD1-CG2 4.02Å; I460-I468 HydrophobicContact CG1-CG2 3.7Å; D461-I468 WeakPolarHBondContact O-CA 3.01Å; D461-I468 WeakPolarHBondContact O-CG2 3.28Å; I468-I470 HydrophobicContact CG2-CG2 3.92Å; I468-L484 WeakPolarHBondContact O-CA 3.46Å; I468-I485 PolarHBondContact N-O 3.14Å; I468-I485 PolarHBondContact O-N 3.13Å; I468-T492 HydrophobicContact CD1-CG2 4.45Å; I468-T492 HydrophobicContact CG1-CG2 3.74Å; I468-L495 HydrophobicContact CD1-CB 3.92Å; I468-L495 HydrophobicContact CD1-CD2 3.7Å; I468-L495 HydrophobicContact CD1-CG 3.71Å; I468-Y496 HydrophobicContact CD1-CD2 4.46Å; I468-Y496 HydrophobicContact CG2-CD2 4.1Å |
| 469 | R | 98.8 | Very high | 96.1 | Very high | 100 Ų | 100 | 61.6 Ų | 61.6 | 38% | 0.377 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.4 | 167 | 175.9 | 172.9 | 55.5 | -153.6 | -11.9 | 108.7 | W413 I460 D461 A463 V482 F483 L484 | W413-R469 HydrophobicContact CH2-CG 4.21Å; I460-R469 WeakPolarHBondContact CA-O 3.26Å; D461-R469 PolarHBondContact N-O 2.92Å; D461-R469 PolarHBondContact O-N 2.82Å; D461-R469 WeakPolarHBondContact OD1-CB 3.48Å; D461-R469 IonicContact OD1-CZ 3.39Å; D461-R469 IonicContact OD1-NE 3.34Å; D461-R469 PolarHBondContact OD1-NE 3.2Å; D461-R469 IonicContact OD1-NH2 2.74Å; D461-R469 PolarHBondContact OD1-NH2 3.36Å; D461-R469 VanDerWaalsContact OD1-NH2 3.17Å; D461-R469 IonicContact OD2-CZ 2.8Å; D461-R469 IonicContact OD2-NE 3.28Å; D461-R469 PolarHBondContact OD2-NE 3.04Å; D461-R469 IonicContact OD2-NH2 3.96Å; D461-R469 PolarHBondContact OD2-NH2 3.33Å; A463-R469 HydrophobicContact CB-CB 4.07Å; R469-V482 HydrophobicContact CG-CG1 3.64Å; R469-F483 WeakPolarHBondContact CA-O 3.26Å; R469-L484 HydrophobicContact CB-CD1 3.98Å |
| 470 | I | 98.7 | Very high | 96 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 151.2 | 179.3 | 61.7 | 172.7 | 0 | 0 | 0 | 111.3 | L438 M458 Q459 I460 I468 A472 V482 F483 I485 | L438-I470 HydrophobicContact CD1-CD1 3.92Å; M458-I470 HydrophobicContact CE-CB 4.46Å; M458-I470 HydrophobicContact CE-CD1 4.22Å; Q459-I470 VanDerWaalsContact O-CA 3.31Å; Q459-I470 WeakPolarHBondContact O-CA 3.32Å; I460-I470 HydrophobicContact CB-CG2 4.14Å; I460-I470 HydrophobicContact CD1-CG2 4.2Å; I460-I470 HydrophobicContact CG1-CG2 3.91Å; I468-I470 HydrophobicContact CG2-CG2 3.92Å; I470-A472 HydrophobicContact CD1-CB 4.23Å; I470-V482 WeakPolarHBondContact O-CA 3.24Å; I470-F483 HydrophobicContact CG1-CB 4.09Å; I470-F483 PolarHBondContact N-O 3.15Å; I470-F483 PolarHBondContact O-N 3.2Å; I470-I485 HydrophobicContact CD1-CD1 3.74Å; I470-I485 HydrophobicContact CG1-CD1 4.41Å |
| 471 | T | 98.5 | Very high | 96 | Very high | 24 Ų | 24 | 62 Ų | 62 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 132.3 | 155.5 | 51.3 | 0 | 0 | 0 | 0 | 109.1 | W455 M458 Q459 V480 K481 V482 | W455-T471 VanDerWaalsContact CH2-O 3.3Å; W455-T471 WeakPolarHBondContact CH2-O 3.34Å; M458-T471 WeakPolarHBondContact CE-O 3.05Å; M458-T471 WeakPolarHBondContact CG-O 3.4Å; Q459-T471 HydrophobicContact CB-CG2 3.88Å; Q459-T471 HydrophobicContact CG-CG2 4.19Å; Q459-T471 PolarHBondContact N-OG1 3.35Å; Q459-T471 PolarHBondContact O-N 3.29Å; Q459-T471 PolarHBondContact O-OG1 3.48Å; T471-V480 HydrophobicContact CG2-CG1 4.24Å; T471-K481 WeakPolarHBondContact CA-O 3.34Å; T471-V482 HydrophobicContact CG2-CG2 4.47Å |
| 472 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 157.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | L450 T452 I470 V480 K481 F483 | L450-A472 HydrophobicContact CD1-CB 4.04Å; T452-A472 HydrophobicContact CG2-CB 3.75Å; I470-A472 HydrophobicContact CD1-CB 4.23Å; A472-V480 WeakPolarHBondContact O-CA 3.34Å; A472-K481 PolarHBondContact N-O 3.41Å; A472-K481 PolarHBondContact O-N 3.16Å; A472-F483 HydrophobicContact CB-CD2 3.66Å; A472-F483 HydrophobicContact CB-CE2 3.77Å |
| 473 | M | 96.5 | Very high | 96 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 40% | 0.399 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 127.7 | 167.6 | -61.4 | -63.6 | -76.1 | 0 | 0 | 108.9 | T452 W455 Q478 V480 | T452-M473 PolarHBondContact OG1-N 3.34Å; W455-M473 HydrophobicContact CZ3-CG 4.42Å; M473-Q478 WeakPolarHBondContact CE-O 3.4Å; M473-V480 HydrophobicContact SD-CG2 3.54Å; M473-V480 VanDerWaalsContact SD-CG2 3.54Å |
| 474 | D | 95 | Very high | 96.1 | Very high | 6 Ų | 6 | 56.6 Ų | 56.6 | 3% | 0.032 | 29% | 0.294 | C | S | . | . | trans | -83.2 | 147.1 | 176 | -170.8 | 24.8 | 0 | 0 | 0 | 112 | R416 Q478 G479 K481 F483 | R416-D474 IonicContact NH2-OD1 3.72Å; D474-Q478 WeakPolarHBondContact O-CA 3.5Å; D474-Q478 PolarHBondContact O-N 3.02Å; D474-G479 PolarHBondContact N-O 3.46Å; D474-K481 HydrophobicContact CB-CD 3.83Å; D474-K481 HydrophobicContact CB-CG 4.11Å; D474-K481 WeakPolarHBondContact OD2-CD 3.35Å; D474-K481 VanDerWaalsContact OD2-CE 3.28Å; D474-K481 WeakPolarHBondContact OD2-CE 3.42Å; D474-K481 IonicContact OD2-NZ 2.6Å; D474-K481 PolarHBondContact OD2-NZ 2.92Å; D474-F483 HydrophobicContact CB-CE2 4.47Å; D474-F483 HydrophobicContact CB-CZ 3.97Å | ||
| 475 | T | 90.3 | Very high | 96.1 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 33% | 0.331 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -14.8 | -175.6 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | R416 N451 | R416-T475 PolarHBondContact NH2-OG1 2.83Å; N451-T475 HydrophobicContact CB-CG2 4.03Å |
| 476 | E | 88.7 | Confident | 96.1 | Very high | 107 Ų | 107 | 50.3 Ų | 50.3 | 50% | 0.5 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -61.1 | 177.6 | -78.5 | 162.5 | -166 | 0 | 0 | 110.6 | R416 | R416-E476 VanDerWaalsContact CZ-CD 3.48Å; R416-E476 IonicContact CZ-OE1 2.67Å; R416-E476 VanDerWaalsContact CZ-OE1 3.22Å; R416-E476 IonicContact CZ-OE2 3.7Å; R416-E476 VanDerWaalsContact CZ-OE2 3.29Å; R416-E476 IonicContact NH1-OE1 3.31Å; R416-E476 PolarHBondContact NH1-OE1 2.99Å; R416-E476 IonicContact NH1-OE2 2.85Å; R416-E476 PolarHBondContact NH1-OE2 3.38Å; R416-E476 IonicContact NH2-OE1 3.38Å; R416-E476 PolarHBondContact NH2-OE1 2.81Å; R416-E476 IonicContact NH2-OE2 3.54Å; R416-E476 PolarHBondContact NH2-OE2 2.8Å |
| 477 | D | 88.9 | Confident | 96.1 | Very high | 113 Ų | 113 | 46.1 Ų | 46.1 | 60% | 0.604 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -9.8 | -173 | -60.5 | -9.8 | 0 | 0 | 0 | 114.5 | G479 K481 | D477-G479 PolarHBondContact O-N 3.05Å; D477-K481 IonicContact OD1-NZ 2.8Å; D477-K481 WeakPolarHBondContact OD2-CE 3.41Å; D477-K481 IonicContact OD2-NZ 2.74Å; D477-K481 PolarHBondContact OD2-NZ 3.4Å |
| 478 | Q | 87.7 | Confident | 96.1 | Very high | 155 Ų | 155 | 48 Ų | 48 | 72% | 0.724 | 26% | 0.262 | S | S | * | . | trans | 56.2 | 8.8 | -169.2 | -56.8 | -176.5 | 52.8 | 0 | 0 | 115.3 | M473 D474 | M473-Q478 WeakPolarHBondContact CE-O 3.4Å; D474-Q478 WeakPolarHBondContact O-CA 3.5Å; D474-Q478 PolarHBondContact O-N 3.02Å | ||
| 479 | G | 94.2 | Very high | 96.1 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -86.8 | 159.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D474 D477 K481 | D474-G479 PolarHBondContact N-O 3.46Å; D477-G479 PolarHBondContact O-N 3.05Å; G479-K481 PolarHBondContact O-N 3.24Å |
| 480 | V | 96.7 | Very high | 96.1 | Very high | 88 Ų | 88 | 52.4 Ų | 52.4 | 53% | 0.533 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 118.3 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | W455 T471 A472 M473 | W455-V480 HydrophobicContact CZ2-CG1 4.44Å; T471-V480 HydrophobicContact CG2-CG1 4.24Å; A472-V480 WeakPolarHBondContact O-CA 3.34Å; M473-V480 HydrophobicContact SD-CG2 3.54Å; M473-V480 VanDerWaalsContact SD-CG2 3.54Å |
| 481 | K | 97.4 | Very high | 96.1 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 161 | 171.7 | -64.5 | -174.5 | -175 | 169.6 | 0 | 110.8 | V405 T471 A472 D474 D477 G479 F483 | V405-K481 HydrophobicContact CG2-CB 3.97Å; V405-K481 HydrophobicContact CG2-CD 3.81Å; T471-K481 WeakPolarHBondContact CA-O 3.34Å; A472-K481 PolarHBondContact N-O 3.41Å; A472-K481 PolarHBondContact O-N 3.16Å; D474-K481 HydrophobicContact CB-CD 3.83Å; D474-K481 HydrophobicContact CB-CG 4.11Å; D474-K481 WeakPolarHBondContact OD2-CD 3.35Å; D474-K481 VanDerWaalsContact OD2-CE 3.28Å; D474-K481 WeakPolarHBondContact OD2-CE 3.42Å; D474-K481 IonicContact OD2-NZ 2.6Å; D474-K481 PolarHBondContact OD2-NZ 2.92Å; D477-K481 IonicContact OD1-NZ 2.8Å; D477-K481 WeakPolarHBondContact OD2-CE 3.41Å; D477-K481 IonicContact OD2-NZ 2.74Å; D477-K481 PolarHBondContact OD2-NZ 3.4Å; G479-K481 PolarHBondContact O-N 3.24Å; K481-F483 HydrophobicContact CB-CD2 4.28Å; K481-F483 HydrophobicContact CB-CE2 3.67Å; K481-F483 HydrophobicContact CB-CZ 4.15Å; K481-F483 WeakPolarHBondContact O-CD2 3.44Å |
| 482 | V | 98.1 | Very high | 96.1 | Very high | 54 Ų | 54 | 53.5 Ų | 53.5 | 33% | 0.327 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.2 | 172.7 | -174.9 | 0 | 0 | 0 | 0 | 108.8 | F406 W413 R469 I470 T471 | F406-V482 HydrophobicContact CB-CB 4.18Å; F406-V482 PolarHBondContact N-O 3.2Å; W413-V482 HydrophobicContact CH2-CG1 3.94Å; W413-V482 HydrophobicContact CZ3-CG1 4.42Å; R469-V482 HydrophobicContact CG-CG1 3.64Å; I470-V482 WeakPolarHBondContact O-CA 3.24Å; T471-V482 HydrophobicContact CG2-CG2 4.47Å |
| 483 | F | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 153.3 | -179.8 | -66.3 | -98.3 | 0 | 0 | 0 | 111.2 | L403 F404 V405 L450 R469 I470 A472 D474 K481 | L403-F483 HydrophobicContact CD1-CB 4.04Å; L403-F483 HydrophobicContact CD1-CD1 3.9Å; L403-F483 HydrophobicContact CD1-CG 4.37Å; L403-F483 HydrophobicContact CD2-CD1 4.24Å; L403-F483 HydrophobicContact CD2-CE1 4.49Å; L403-F483 HydrophobicContact CG-CD1 4.12Å; F404-F483 CarbonylContact O-C 3.55Å; F404-F483 VanDerWaalsContact O-CA 3.24Å; F404-F483 WeakPolarHBondContact O-CA 3.45Å; F404-F483 WeakPolarHBondContact O-CB 3.44Å; F404-F483 WeakPolarHBondContact O-CD1 3.11Å; V405-F483 HydrophobicContact CB-CD1 3.95Å; V405-F483 HydrophobicContact CB-CE1 3.93Å; V405-F483 HydrophobicContact CG2-CD1 4.12Å; V405-F483 HydrophobicContact CG2-CE1 3.9Å; V405-F483 HydrophobicContact CG2-CZ 4.17Å; L450-F483 HydrophobicContact CD1-CE1 4.44Å; L450-F483 HydrophobicContact CD1-CZ 4.33Å; R469-F483 WeakPolarHBondContact CA-O 3.26Å; I470-F483 HydrophobicContact CG1-CB 4.09Å; I470-F483 PolarHBondContact N-O 3.15Å; I470-F483 PolarHBondContact O-N 3.2Å; A472-F483 HydrophobicContact CB-CD2 3.66Å; A472-F483 HydrophobicContact CB-CE2 3.77Å; D474-F483 HydrophobicContact CB-CE2 4.47Å; D474-F483 HydrophobicContact CB-CZ 3.97Å; K481-F483 HydrophobicContact CB-CD2 4.28Å; K481-F483 HydrophobicContact CB-CE2 3.67Å; K481-F483 HydrophobicContact CB-CZ 4.15Å; K481-F483 WeakPolarHBondContact O-CD2 3.44Å |
| 484 | L | 98.8 | Very high | 96.2 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122 | 171.7 | -168.2 | 75.4 | 0 | 0 | 0 | 109.4 | F404 W413 A463 I468 R469 | F404-L484 HydrophobicContact CB-CB 4.24Å; F404-L484 HydrophobicContact CD2-CB 4.36Å; F404-L484 HydrophobicContact CD2-CD2 4.35Å; F404-L484 PolarHBondContact N-O 3.46Å; F404-L484 PolarHBondContact O-N 3.44Å; W413-L484 HydrophobicContact CD2-CB 4.22Å; W413-L484 HydrophobicContact CD2-CD2 4.31Å; W413-L484 HydrophobicContact CE3-CB 3.74Å; W413-L484 HydrophobicContact CH2-CB 3.9Å; W413-L484 HydrophobicContact CZ2-CB 4.36Å; W413-L484 HydrophobicContact CZ2-CD1 4.49Å; W413-L484 HydrophobicContact CZ3-CB 3.57Å; A463-L484 HydrophobicContact CB-CD1 4.02Å; I468-L484 WeakPolarHBondContact O-CA 3.46Å; R469-L484 HydrophobicContact CB-CD1 3.98Å |
| 485 | I | 98.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 113.6 | 175 | -59.2 | 171.8 | 0 | 0 | 0 | 107.5 | M399 C401 L403 L421 L438 S467 I468 I470 L495 | M399-I485 HydrophobicContact CE-CG2 4.49Å; C401-I485 HydrophobicContact CB-CG2 4.03Å; L403-I485 HydrophobicContact CD1-CG1 3.91Å; L421-I485 HydrophobicContact CD2-CD1 3.97Å; L421-I485 HydrophobicContact CD2-CG2 3.88Å; L438-I485 HydrophobicContact CD1-CD1 4.45Å; S467-I485 CarbonylContact C-O 3.51Å; S467-I485 WeakPolarHBondContact CA-O 3.2Å; I468-I485 PolarHBondContact N-O 3.14Å; I468-I485 PolarHBondContact O-N 3.13Å; I470-I485 HydrophobicContact CD1-CD1 3.74Å; I470-I485 HydrophobicContact CG1-CD1 4.41Å; I485-L495 HydrophobicContact CD1-CD2 4.15Å; I485-L495 HydrophobicContact CG2-CD2 3.99Å |
| 486 | S | 98.8 | Very high | 96.8 | Very high | 42 Ų | 42 | 56.8 Ų | 56.8 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.5 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 111.5 | C401 K402 K466 | C401-S486 CarbonylContact C-O 3.58Å; C401-S486 WeakPolarHBondContact CA-O 3.45Å; C401-S486 VanDerWaalsContact CB-O 3.26Å; C401-S486 WeakPolarHBondContact CB-O 3.42Å; K402-S486 PolarHBondContact N-O 3.43Å; K402-S486 PolarHBondContact O-N 3.4Å; K466-S486 WeakPolarHBondContact O-CA 3.43Å |
| 487 | A | 98.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | trans | -153.3 | -167.1 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | M399 C401 K466 D491 | M399-A487 HydrophobicContact CE-CB 3.23Å; C401-A487 HydrophobicContact CB-CB 3.94Å; K466-A487 WeakPolarHBondContact CB-O 3.32Å; K466-A487 PolarHBondContact O-N 3.37Å; A487-D491 HydrophobicContact CB-CB 4.3Å | ||
| 488 | S | 98.6 | Very high | 97.7 | Very high | 55 Ų | 55 | 49 Ų | 49 | 39% | 0.385 | 28% | 0.277 | S | S | . | . | trans | -72.3 | 152 | 168.1 | 93 | 0 | 0 | 0 | 0 | 110.8 | K490 D491 T492 | S488-K490 PolarHBondContact O-N 2.96Å; S488-K490 VanDerWaalsContact O-N 3.13Å; S488-K490 PolarHBondContact OG-N 3.3Å; S488-D491 VanDerWaalsContact CB-OD2 3.3Å; S488-D491 WeakPolarHBondContact CB-OD2 3.32Å; S488-D491 PolarHBondContact O-N 3.13Å; S488-D491 PolarHBondContact OG-N 3.07Å; S488-D491 PolarHBondContact OG-OD2 2.86Å; S488-T492 PolarHBondContact O-N 2.9Å; S488-T492 PolarHBondContact O-OG1 3.33Å; S488-T492 VanDerWaalsContact O-OG1 3.12Å | ||
| 489 | S | 98.4 | Very high | 98.2 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.1 | -34.5 | -179.8 | -50 | 0 | 0 | 0 | 0 | 113.5 | E465 K466 G493 | E465-S489 VanDerWaalsContact CD-OG 3.28Å; E465-S489 WeakPolarHBondContact OE1-CB 3.32Å; E465-S489 PolarHBondContact OE1-OG 3.36Å; K466-S489 WeakPolarHBondContact CE-OG 3.38Å; K466-S489 WeakPolarHBondContact CG-OG 3.43Å; S489-G493 PolarHBondContact O-N 3.23Å |
| 490 | K | 98.4 | Very high | 98.4 | Very high | 158 Ų | 158 | 43.5 Ų | 43.5 | 69% | 0.687 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.5 | -50.5 | 177.1 | -177 | -172 | 175.3 | -169.1 | 0 | 110.3 | S488 G493 Q494 | S488-K490 PolarHBondContact O-N 2.96Å; S488-K490 VanDerWaalsContact O-N 3.13Å; S488-K490 PolarHBondContact OG-N 3.3Å; K490-G493 PolarHBondContact O-N 2.68Å; K490-Q494 WeakPolarHBondContact O-CG 3.41Å; K490-Q494 PolarHBondContact O-N 3.4Å |
| 491 | D | 98.5 | Very high | 98.4 | Very high | 47 Ų | 47 | 45.4 Ų | 45.4 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.3 | -39.3 | -175.1 | -47.4 | -44.2 | 0 | 0 | 0 | 110.8 | M399 A487 S488 G493 Q494 L495 | M399-D491 HydrophobicContact CB-CB 4.08Å; M399-D491 HydrophobicContact CE-CB 3.6Å; M399-D491 HydrophobicContact SD-CB 3.98Å; A487-D491 HydrophobicContact CB-CB 4.3Å; S488-D491 VanDerWaalsContact CB-OD2 3.3Å; S488-D491 WeakPolarHBondContact CB-OD2 3.32Å; S488-D491 PolarHBondContact O-N 3.13Å; S488-D491 PolarHBondContact OG-N 3.07Å; S488-D491 PolarHBondContact OG-OD2 2.86Å; D491-G493 VanDerWaalsContact C-N 3.29Å; D491-G493 PolarHBondContact O-N 2.97Å; D491-Q494 PolarHBondContact O-N 3.24Å; D491-L495 VanDerWaalsContact O-CB 3.24Å; D491-L495 WeakPolarHBondContact O-CB 3.47Å; D491-L495 PolarHBondContact O-N 2.94Å |
| 492 | T | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.4 | -42 | 168.9 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | E465 K466 I468 S488 Y496 | E465-T492 WeakPolarHBondContact O-CB 3.47Å; E465-T492 WeakPolarHBondContact O-CG2 3.5Å; K466-T492 VanDerWaalsContact C-OG1 3.29Å; K466-T492 WeakPolarHBondContact CA-OG1 3.31Å; K466-T492 PolarHBondContact O-OG1 2.97Å; I468-T492 HydrophobicContact CD1-CG2 4.45Å; I468-T492 HydrophobicContact CG1-CG2 3.74Å; S488-T492 PolarHBondContact O-N 2.9Å; S488-T492 PolarHBondContact O-OG1 3.33Å; S488-T492 VanDerWaalsContact O-OG1 3.12Å; T492-Y496 WeakPolarHBondContact O-CB 3.45Å; T492-Y496 PolarHBondContact O-N 2.73Å |
| 493 | G | 98.5 | Very high | 98.4 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 27% | 0.268 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.5 | -47.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S489 K490 D491 A497 | S489-G493 PolarHBondContact O-N 3.23Å; K490-G493 PolarHBondContact O-N 2.68Å; D491-G493 VanDerWaalsContact C-N 3.29Å; D491-G493 PolarHBondContact O-N 2.97Å; G493-A497 PolarHBondContact O-N 3.12Å |
| 494 | Q | 98.6 | Very high | 98.3 | Very high | 118 Ų | 118 | 46 Ų | 46 | 55% | 0.551 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.4 | -46.6 | 179.8 | -66.6 | -65 | -60.1 | 0 | 0 | 112.1 | L397 K490 D491 A497 A498 | L397-Q494 HydrophobicContact CD1-CB 3.65Å; K490-Q494 WeakPolarHBondContact O-CG 3.41Å; K490-Q494 PolarHBondContact O-N 3.4Å; D491-Q494 PolarHBondContact O-N 3.24Å; Q494-A497 PolarHBondContact O-N 3.11Å; Q494-A498 WeakPolarHBondContact O-CB 3.36Å; Q494-A498 PolarHBondContact O-N 2.9Å |
| 495 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | 178.3 | 179.2 | 66.2 | 0 | 0 | 0 | 111.8 | L397 M399 L421 L438 I468 I485 D491 A497 A498 L499 | L397-L495 HydrophobicContact CD2-CD1 4.32Å; M399-L495 HydrophobicContact CE-CD2 4.03Å; M399-L495 HydrophobicContact SD-CB 3.72Å; M399-L495 HydrophobicContact SD-CD1 4.39Å; M399-L495 HydrophobicContact SD-CD2 3.68Å; M399-L495 HydrophobicContact SD-CG 4.13Å; L421-L495 HydrophobicContact CD2-CD1 4.4Å; L421-L495 HydrophobicContact CD2-CD2 3.63Å; L438-L495 HydrophobicContact CD2-CD1 4.05Å; I468-L495 HydrophobicContact CD1-CB 3.92Å; I468-L495 HydrophobicContact CD1-CD2 3.7Å; I468-L495 HydrophobicContact CD1-CG 3.71Å; I485-L495 HydrophobicContact CD1-CD2 4.15Å; I485-L495 HydrophobicContact CG2-CD2 3.99Å; D491-L495 VanDerWaalsContact O-CB 3.24Å; D491-L495 WeakPolarHBondContact O-CB 3.47Å; D491-L495 PolarHBondContact O-N 2.94Å; L495-A497 PolarHBondContact O-N 3.29Å; L495-A498 PolarHBondContact O-N 3.48Å; L495-L499 HydrophobicContact CD1-CD1 3.8Å; L495-L499 HydrophobicContact CD1-CG 3.96Å; L495-L499 HydrophobicContact CD2-CD1 4.48Å; L495-L499 HydrophobicContact CG-CD1 3.83Å; L495-L499 HydrophobicContact CG-CG 4.34Å; L495-L499 WeakPolarHBondContact O-CB 3.33Å; L495-L499 VanDerWaalsContact O-CG 3.3Å; L495-L499 WeakPolarHBondContact O-CG 3.48Å; L495-L499 PolarHBondContact O-N 2.93Å |
| 496 | Y | 98.7 | Very high | 97.9 | Very high | 66 Ų | 66 | 49.4 Ų | 49.4 | 26% | 0.259 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60 | -47.6 | 178.4 | -176.8 | -97.7 | 0 | 0 | 0 | 111.4 | I460 K462 I468 T492 L499 H500 | I460-Y496 HydrophobicContact CD1-CD2 4.01Å; I460-Y496 HydrophobicContact CD1-CE2 4.29Å; I460-Y496 HydrophobicContact CG1-CD2 3.95Å; I460-Y496 HydrophobicContact CG1-CE2 3.84Å; K462-Y496 HydrophobicContact CB-CD2 3.96Å; K462-Y496 HydrophobicContact CB-CE2 3.93Å; K462-Y496 HydrophobicContact CB-CG 4.4Å; I468-Y496 HydrophobicContact CD1-CD2 4.46Å; I468-Y496 HydrophobicContact CG2-CD2 4.1Å; T492-Y496 WeakPolarHBondContact O-CB 3.45Å; T492-Y496 PolarHBondContact O-N 2.73Å; Y496-L499 PolarHBondContact O-N 3.24Å; Y496-H500 WeakPolarHBondContact O-CB 3.14Å; Y496-H500 PolarHBondContact O-N 3.42Å |
| 497 | A | 98.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 34% | 0.339 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | G493 Q494 L495 L499 H500 H501 | G493-A497 PolarHBondContact O-N 3.12Å; Q494-A497 PolarHBondContact O-N 3.11Å; L495-A497 PolarHBondContact O-N 3.29Å; A497-L499 VanDerWaalsContact C-N 3.35Å; A497-L499 PolarHBondContact O-N 3.3Å; A497-H500 PolarHBondContact O-N 3.3Å; A497-H501 PolarHBondContact O-CD2 3.45Å; A497-H501 PolarHBondContact O-N 3.05Å |
| 498 | A | 98.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -39.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L423 Q494 L495 R502 | L423-A498 HydrophobicContact CD2-CB 3.62Å; Q494-A498 WeakPolarHBondContact O-CB 3.36Å; Q494-A498 PolarHBondContact O-N 2.9Å; L495-A498 PolarHBondContact O-N 3.48Å; A498-R502 VanDerWaalsContact O-CD 3.3Å; A498-R502 WeakPolarHBondContact O-CD 3.21Å; A498-R502 WeakPolarHBondContact O-CG 3.2Å; A498-R502 PolarHBondContact O-NH1 3.25Å |
| 499 | L | 98.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -71.4 | -44.4 | 174.7 | -70.1 | 176 | 0 | 0 | 0 | 112.2 | L423 L438 L454 I460 L495 Y496 A497 H501 R502 I503 | L423-L499 HydrophobicContact CD1-CD2 4Å; L423-L499 HydrophobicContact CD2-CD2 4.35Å; L438-L499 HydrophobicContact CD1-CD1 4.02Å; L438-L499 HydrophobicContact CD1-CD2 3.99Å; L438-L499 HydrophobicContact CD2-CD2 4.05Å; L438-L499 HydrophobicContact CG-CD2 4.05Å; L454-L499 HydrophobicContact CD1-CD2 3.59Å; L454-L499 HydrophobicContact CD2-CD2 3.68Å; L454-L499 HydrophobicContact CG-CD2 4.3Å; I460-L499 HydrophobicContact CD1-CB 3.4Å; I460-L499 VanDerWaalsContact CD1-CB 3.4Å; I460-L499 HydrophobicContact CD1-CD1 3.64Å; I460-L499 HydrophobicContact CD1-CG 4.17Å; L495-L499 HydrophobicContact CD1-CD1 3.8Å; L495-L499 HydrophobicContact CD1-CG 3.96Å; L495-L499 HydrophobicContact CD2-CD1 4.48Å; L495-L499 HydrophobicContact CG-CD1 3.83Å; L495-L499 HydrophobicContact CG-CG 4.34Å; L495-L499 WeakPolarHBondContact O-CB 3.33Å; L495-L499 VanDerWaalsContact O-CG 3.3Å; L495-L499 WeakPolarHBondContact O-CG 3.48Å; L495-L499 PolarHBondContact O-N 2.93Å; Y496-L499 PolarHBondContact O-N 3.24Å; A497-L499 VanDerWaalsContact C-N 3.35Å; A497-L499 PolarHBondContact O-N 3.3Å; L499-H501 PolarHBondContact O-N 2.93Å; L499-R502 PolarHBondContact O-N 3.41Å; L499-R502 VanDerWaalsContact O-N 3.17Å; L499-I503 HydrophobicContact CB-CD1 4.48Å; L499-I503 WeakPolarHBondContact O-CG1 3.39Å; L499-I503 PolarHBondContact O-N 2.94Å |
| 500 | H | 97.9 | Very high | 97 | Very high | 68 Ų | 68 | 55.5 Ų | 55.5 | 32% | 0.315 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.4 | -46.1 | -179.6 | -175.5 | -107.2 | 0 | 0 | 0 | 111.9 | Y496 A497 R502 I503 L504 | Y496-H500 WeakPolarHBondContact O-CB 3.14Å; Y496-H500 PolarHBondContact O-N 3.42Å; A497-H500 PolarHBondContact O-N 3.3Å; H500-R502 PolarHBondContact O-N 3.05Å; H500-I503 PolarHBondContact O-N 3.39Å; H500-L504 VanDerWaalsContact CE1-CD1 3.46Å; H500-L504 WeakPolarHBondContact CE1-CD1 3.44Å; H500-L504 WeakPolarHBondContact O-CB 3.44Å; H500-L504 WeakPolarHBondContact O-CG 3.22Å; H500-L504 PolarHBondContact O-N 3.12Å |
| 501 | H | 97.4 | Very high | 96.7 | Very high | 128 Ų | 128 | 54.3 Ų | 54.3 | 59% | 0.593 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -61.6 | -39.2 | 176.1 | -75.8 | -66.3 | 0 | 0 | 0 | 113.3 | A497 L499 A505 | A497-H501 PolarHBondContact O-CD2 3.45Å; A497-H501 PolarHBondContact O-N 3.05Å; L499-H501 PolarHBondContact O-N 2.93Å; H501-A505 WeakPolarHBondContact O-CB 3.46Å; H501-A505 PolarHBondContact O-N 3.37Å |
| 502 | R | 97 | Very high | 96.3 | Very high | 42 Ų | 42 | 57.8 Ų | 57.8 | 16% | 0.158 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.7 | -42.7 | 178.6 | -74.2 | 161.5 | 176.6 | 68.8 | 13.5 | 112 | D425 S436 L454 A498 L499 H500 A505 L506 | D425-R502 IonicContact OD1-CZ 2.7Å; D425-R502 IonicContact OD1-NE 2.7Å; D425-R502 PolarHBondContact OD1-NE 2.84Å; D425-R502 IonicContact OD1-NH2 3.04Å; D425-R502 IonicContact OD2-CZ 3.84Å; D425-R502 IonicContact OD2-NE 2.65Å; D425-R502 PolarHBondContact OD2-NE 3.07Å; D425-R502 IonicContact OD2-NH2 3.29Å; D425-R502 PolarHBondContact OD2-NH2 3.34Å; S436-R502 WeakPolarHBondContact OG-CD 3.45Å; S436-R502 PolarHBondContact OG-NE 2.81Å; L454-R502 HydrophobicContact CD1-CB 3.7Å; L454-R502 HydrophobicContact CD1-CG 4.44Å; A498-R502 VanDerWaalsContact O-CD 3.3Å; A498-R502 WeakPolarHBondContact O-CD 3.21Å; A498-R502 WeakPolarHBondContact O-CG 3.2Å; A498-R502 PolarHBondContact O-NH1 3.25Å; L499-R502 PolarHBondContact O-N 3.41Å; L499-R502 VanDerWaalsContact O-N 3.17Å; H500-R502 PolarHBondContact O-N 3.05Å; R502-A505 PolarHBondContact O-N 3.35Å; R502-L506 VanDerWaalsContact O-CG 3.31Å; R502-L506 WeakPolarHBondContact O-CG 3.26Å; R502-L506 PolarHBondContact O-N 3.14Å |
| 503 | I | 97 | Very high | 95.8 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | 177.6 | -67.9 | 163.3 | 0 | 0 | 0 | 110.8 | M458 I460 L499 H500 L506 R507 | M458-I503 HydrophobicContact CB-CD1 4.12Å; M458-I503 HydrophobicContact CB-CG1 4.36Å; M458-I503 HydrophobicContact CG-CD1 4.23Å; M458-I503 HydrophobicContact SD-CD1 3.83Å; M458-I503 HydrophobicContact SD-CG1 4.36Å; I460-I503 HydrophobicContact CB-CD1 4.24Å; I460-I503 HydrophobicContact CG2-CD1 3.66Å; L499-I503 HydrophobicContact CB-CD1 4.48Å; L499-I503 WeakPolarHBondContact O-CG1 3.39Å; L499-I503 PolarHBondContact O-N 2.94Å; H500-I503 PolarHBondContact O-N 3.39Å; I503-L506 PolarHBondContact O-N 3.45Å; I503-R507 VanDerWaalsContact O-CG 3.32Å; I503-R507 WeakPolarHBondContact O-CG 3.31Å; I503-R507 PolarHBondContact O-N 3Å |
| 504 | L | 96.5 | Very high | 95.2 | Very high | 76 Ų | 76 | 66.9 Ų | 66.9 | 40% | 0.398 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 171.2 | -75.5 | 178 | 0 | 0 | 0 | 112.4 | H500 L506 R507 S508 | H500-L504 VanDerWaalsContact CE1-CD1 3.46Å; H500-L504 WeakPolarHBondContact CE1-CD1 3.44Å; H500-L504 WeakPolarHBondContact O-CB 3.44Å; H500-L504 WeakPolarHBondContact O-CG 3.22Å; H500-L504 PolarHBondContact O-N 3.12Å; L504-L506 VanDerWaalsContact C-N 3.29Å; L504-L506 PolarHBondContact O-N 3.07Å; L504-R507 WeakPolarHBondContact O-CB 3.48Å; L504-R507 PolarHBondContact O-N 3.48Å; L504-R507 VanDerWaalsContact O-N 3.09Å; L504-S508 PolarHBondContact O-N 3.45Å; L504-S508 PolarHBondContact O-OG 3.38Å |
| 505 | A | 95.5 | Very high | 94.5 | Very high | 59 Ų | 59 | 68 Ų | 68 | 49% | 0.488 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.2 | -39.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H501 R502 S508 R509 | H501-A505 WeakPolarHBondContact O-CB 3.46Å; H501-A505 PolarHBondContact O-N 3.37Å; R502-A505 PolarHBondContact O-N 3.35Å; A505-S508 WeakPolarHBondContact CA-OG 3.39Å; A505-S508 PolarHBondContact O-N 3.28Å; A505-S508 PolarHBondContact O-OG 3.09Å; A505-R509 PolarHBondContact O-N 3.08Å |
| 506 | L | 95.5 | Very high | 93.8 | Very high | 39 Ų | 39 | 72.5 Ų | 72.5 | 20% | 0.204 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.7 | -38.4 | 173.7 | -69.9 | 168.2 | 0 | 0 | 0 | 112.3 | L454 A456 R502 I503 L504 R509 V510 | L454-L506 HydrophobicContact CB-CD1 3.94Å; A456-L506 HydrophobicContact CB-CB 4.09Å; R502-L506 VanDerWaalsContact O-CG 3.31Å; R502-L506 WeakPolarHBondContact O-CG 3.26Å; R502-L506 PolarHBondContact O-N 3.14Å; I503-L506 PolarHBondContact O-N 3.45Å; L504-L506 VanDerWaalsContact C-N 3.29Å; L504-L506 PolarHBondContact O-N 3.07Å; L506-R509 PolarHBondContact O-N 3.37Å; L506-V510 WeakPolarHBondContact O-CB 3.12Å; L506-V510 WeakPolarHBondContact O-CG2 3.35Å; L506-V510 PolarHBondContact O-N 2.92Å; L506-V510 VanDerWaalsContact O-N 3.08Å |
| 507 | R | 95.8 | Very high | 92.7 | Very high | 98 Ų | 98 | 77.7 Ų | 77.7 | 37% | 0.37 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 173.7 | -71.8 | 169.8 | -170.2 | -178.2 | 3.9 | 111.3 | A456 M458 I503 L504 R509 V510 E511 | A456-R507 HydrophobicContact CB-CG 3.93Å; A456-R507 VanDerWaalsContact O-CG 3.28Å; A456-R507 WeakPolarHBondContact O-CG 3.4Å; A456-R507 PolarHBondContact O-NE 3.22Å; M458-R507 PolarHBondContact O-NH2 2.98Å; I503-R507 VanDerWaalsContact O-CG 3.32Å; I503-R507 WeakPolarHBondContact O-CG 3.31Å; I503-R507 PolarHBondContact O-N 3Å; L504-R507 WeakPolarHBondContact O-CB 3.48Å; L504-R507 PolarHBondContact O-N 3.48Å; L504-R507 VanDerWaalsContact O-N 3.09Å; R507-R509 VanDerWaalsContact C-N 3.27Å; R507-R509 PolarHBondContact O-N 2.81Å; R507-V510 PolarHBondContact O-N 2.77Å; R507-V510 VanDerWaalsContact O-N 3.13Å; R507-E511 WeakPolarHBondContact O-CB 3.44Å; R507-E511 PolarHBondContact O-N 3.32Å |
| 508 | S | 94 | Very high | 91.1 | Very high | 49 Ų | 49 | 82.6 Ų | 82.6 | 34% | 0.343 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.6 | -30.7 | 178.9 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | L504 A505 Q512 | L504-S508 PolarHBondContact O-N 3.45Å; L504-S508 PolarHBondContact O-OG 3.38Å; A505-S508 WeakPolarHBondContact CA-OG 3.39Å; A505-S508 PolarHBondContact O-N 3.28Å; A505-S508 PolarHBondContact O-OG 3.09Å; S508-Q512 WeakPolarHBondContact O-CG 3.35Å; S508-Q512 PolarHBondContact O-N 3.06Å; S508-Q512 VanDerWaalsContact O-N 3.16Å; S508-Q512 PolarHBondContact O-NE2 3.49Å |
| 509 | R | 91.6 | Very high | 89.4 | Confident | 86 Ų | 86 | 87.5 Ų | 87.5 | 33% | 0.325 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.1 | -51.2 | 171.5 | 178.7 | -178.8 | 175 | 162.3 | 14 | 110.9 | D431 T433 A505 L506 R507 E511 Q512 E513 | D431-R509 IonicContact OD2-CZ 3.4Å; D431-R509 IonicContact OD2-NH1 4Å; D431-R509 PolarHBondContact OD2-NH1 2.97Å; D431-R509 IonicContact OD2-NH2 3.7Å; D431-R509 PolarHBondContact OD2-NH2 3.49Å; T433-R509 VanDerWaalsContact CB-NH1 3.28Å; T433-R509 VanDerWaalsContact CG2-NH1 3.28Å; T433-R509 PolarHBondContact OG1-NH1 2.77Å; A505-R509 PolarHBondContact O-N 3.08Å; L506-R509 PolarHBondContact O-N 3.37Å; R507-R509 VanDerWaalsContact C-N 3.27Å; R507-R509 PolarHBondContact O-N 2.81Å; R509-E511 PolarHBondContact O-N 2.85Å; R509-Q512 PolarHBondContact O-N 2.88Å; R509-E513 HydrophobicContact CG-CG 4.37Å; R509-E513 IonicContact CZ-OE1 2.75Å; R509-E513 VanDerWaalsContact CZ-OE1 3.29Å; R509-E513 IonicContact NE-OE1 2.77Å; R509-E513 PolarHBondContact NE-OE1 2.83Å; R509-E513 IonicContact NE-OE2 3.22Å; R509-E513 IonicContact NH2-OE1 3.27Å; R509-E513 PolarHBondContact NH2-OE1 3.31Å; R509-E513 WeakPolarHBondContact O-CB 3.26Å; R509-E513 WeakPolarHBondContact O-CG 3.29Å; R509-E513 PolarHBondContact O-N 3.29Å |
| 510 | V | 92.9 | Very high | 87.8 | Confident | 44 Ų | 44 | 91.4 Ų | 91.4 | 27% | 0.267 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.4 | -27.6 | -178.8 | 166.7 | 0 | 0 | 0 | 0 | 112.5 | A456 L506 R507 Q514 | A456-V510 HydrophobicContact CB-CB 4.26Å; A456-V510 HydrophobicContact CB-CG2 3.91Å; L506-V510 WeakPolarHBondContact O-CB 3.12Å; L506-V510 WeakPolarHBondContact O-CG2 3.35Å; L506-V510 PolarHBondContact O-N 2.92Å; L506-V510 VanDerWaalsContact O-N 3.08Å; R507-V510 PolarHBondContact O-N 2.77Å; R507-V510 VanDerWaalsContact O-N 3.13Å; V510-Q514 VanDerWaalsContact CG1-NE2 3.28Å; V510-Q514 WeakPolarHBondContact O-CG 3.18Å; V510-Q514 PolarHBondContact O-N 3.44Å; V510-Q514 PolarHBondContact O-NE2 3.43Å |
| 511 | E | 92.9 | Very high | 86 | Confident | 133 Ų | 133 | 94.1 Ų | 94.1 | 62% | 0.621 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.8 | -50.7 | 173.2 | -169.4 | 164.8 | -149.9 | 0 | 0 | 111.3 | R507 R509 E513 Q514 E515 | R507-E511 WeakPolarHBondContact O-CB 3.44Å; R507-E511 PolarHBondContact O-N 3.32Å; R509-E511 PolarHBondContact O-N 2.85Å; E511-E513 VanDerWaalsContact C-N 3.33Å; E511-E513 PolarHBondContact O-N 3.15Å; E511-Q514 PolarHBondContact O-N 2.95Å; E511-E515 PolarHBondContact O-N 2.91Å |
| 512 | Q | 89.3 | Confident | 84.2 | Confident | 121 Ų | 121 | 96.7 Ų | 96.7 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.1 | -39.7 | 173.6 | -76.8 | 164.4 | 79.8 | 0 | 0 | 112.8 | S508 R509 Q514 E515 A516 | S508-Q512 WeakPolarHBondContact O-CG 3.35Å; S508-Q512 PolarHBondContact O-N 3.06Å; S508-Q512 VanDerWaalsContact O-N 3.16Å; S508-Q512 PolarHBondContact O-NE2 3.49Å; R509-Q512 PolarHBondContact O-N 2.88Å; Q512-Q514 PolarHBondContact O-N 2.97Å; Q512-E515 PolarHBondContact O-N 3.39Å; Q512-A516 VanDerWaalsContact O-CB 3.23Å; Q512-A516 WeakPolarHBondContact O-CB 3.5Å; Q512-A516 PolarHBondContact O-N 3.16Å |
| 513 | E | 88.1 | Confident | 82.4 | Confident | 95 Ų | 95 | 100.6 Ų | 100.6 | 44% | 0.444 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.1 | -19.5 | 176.9 | -73.7 | 174.6 | 166.5 | 0 | 0 | 113.4 | R509 E511 K517 | R509-E513 HydrophobicContact CG-CG 4.37Å; R509-E513 IonicContact CZ-OE1 2.75Å; R509-E513 VanDerWaalsContact CZ-OE1 3.29Å; R509-E513 IonicContact NE-OE1 2.77Å; R509-E513 PolarHBondContact NE-OE1 2.83Å; R509-E513 IonicContact NE-OE2 3.22Å; R509-E513 IonicContact NH2-OE1 3.27Å; R509-E513 PolarHBondContact NH2-OE1 3.31Å; R509-E513 WeakPolarHBondContact O-CB 3.26Å; R509-E513 WeakPolarHBondContact O-CG 3.29Å; R509-E513 PolarHBondContact O-N 3.29Å; E511-E513 VanDerWaalsContact C-N 3.33Å; E511-E513 PolarHBondContact O-N 3.15Å; E513-K517 WeakPolarHBondContact O-CB 3.26Å |
| 514 | Q | 86.7 | Confident | 80.1 | Confident | 122 Ų | 122 | 103.9 Ų | 103.9 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -88 | -45.6 | 171.8 | -80 | 170.6 | 79.7 | 0 | 0 | 111.7 | V510 E511 Q512 A516 K517 M518 | V510-Q514 VanDerWaalsContact CG1-NE2 3.28Å; V510-Q514 WeakPolarHBondContact O-CG 3.18Å; V510-Q514 PolarHBondContact O-N 3.44Å; V510-Q514 PolarHBondContact O-NE2 3.43Å; E511-Q514 PolarHBondContact O-N 2.95Å; Q512-Q514 PolarHBondContact O-N 2.97Å; Q514-A516 PolarHBondContact O-N 2.94Å; Q514-K517 PolarHBondContact O-N 2.87Å; Q514-M518 PolarHBondContact O-N 3.17Å |
| 515 | E | 84.4 | Confident | 77.8 | Confident | 143 Ų | 143 | 105.2 Ų | 105.2 | 67% | 0.668 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -58.9 | -47.9 | 177.3 | -173.6 | 176.8 | -164.9 | 0 | 0 | 111.1 | E511 Q512 K517 M518 | E511-E515 PolarHBondContact O-N 2.91Å; Q512-E515 PolarHBondContact O-N 3.39Å; E515-K517 PolarHBondContact O-N 3.49Å; E515-M518 PolarHBondContact O-N 2.97Å; E515-M518 VanDerWaalsContact O-N 3.17Å |
| 516 | A | 83.4 | Confident | 75.5 | Confident | 94 Ų | 94 | 106.5 Ų | 106.5 | 78% | 0.777 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q512 Q514 | Q512-A516 VanDerWaalsContact O-CB 3.23Å; Q512-A516 WeakPolarHBondContact O-CB 3.5Å; Q512-A516 PolarHBondContact O-N 3.16Å; Q514-A516 PolarHBondContact O-N 2.94Å |
| 517 | K | 75.5 | Confident | 73.5 | Confident | 175 Ų | 175 | 110.3 Ų | 110.3 | 76% | 0.761 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -8.8 | 178.4 | -167.3 | 168.6 | -178.7 | 177.2 | 0 | 113.2 | E513 Q514 E515 P519 | E513-K517 WeakPolarHBondContact O-CB 3.26Å; Q514-K517 PolarHBondContact O-N 2.87Å; E515-K517 PolarHBondContact O-N 3.49Å; K517-P519 WeakPolarHBondContact O-CD 3.48Å |
| 518 | M | 65.2 | Low | 71 | Confident | 143 Ų | 143 | 110.5 Ų | 110.5 | 70% | 0.704 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -71.7 | 120.5 | 168.4 | -74 | 173.4 | 49.8 | 0 | 0 | 109 | Q514 E515 A520 | Q514-M518 PolarHBondContact O-N 3.17Å; E515-M518 PolarHBondContact O-N 2.97Å; E515-M518 VanDerWaalsContact O-N 3.17Å; M518-A520 PolarHBondContact O-N 3.3Å |
| 519 | P | 62.5 | Low | 68.9 | Low | 119 Ų | 119 | 115.6 Ų | 115.6 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 138.6 | 172.6 | 28.3 | -33.4 | 0 | 0 | 0 | 109.1 | K517 | K517-P519 WeakPolarHBondContact O-CD 3.48Š|
| 520 | A | 65.2 | Low | 67.2 | Low | 84 Ų | 84 | 120.2 Ų | 120.2 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 139.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | M518 E522 | M518-A520 PolarHBondContact O-N 3.3Å; A520-E522 PolarHBondContact O-N 3.35Å |
| 521 | P | 60 | Low | 65.1 | Low | 125 Ų | 125 | 127.4 Ų | 127.4 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 122.8 | 174.3 | 26.7 | -33.2 | 0 | 0 | 0 | 108.7 | ||
| 522 | E | 60.5 | Low | 63.3 | Low | 181 Ų | 181 | 129 Ų | 129 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 133.4 | 177.2 | -66.7 | -139.1 | 123.3 | 0 | 0 | 109.8 | A520 G524 | A520-E522 PolarHBondContact O-N 3.35Å; E522-G524 PolarHBondContact O-N 3.03Å |
| 523 | P | 57.9 | Low | 62 | Low | 124 Ų | 124 | 130.2 Ų | 130.2 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 125.6 | 176.1 | 26.5 | -33.2 | 0 | 0 | 0 | 108.4 | A525 | P523-A525 PolarHBondContact O-N 3.11Š|
| 524 | G | 49.5 | Very low | 60.6 | Low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 130.9 | -159.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E522 A526 | E522-G524 PolarHBondContact O-N 3.03Å; G524-A526 PolarHBondContact O-N 2.87Å; G524-A526 VanDerWaalsContact O-N 3.1Å |
| 525 | A | 47.2 | Very low | 59 | Low | 104 Ų | 104 | 131.5 Ų | 131.5 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 117.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | P523 | P523-A525 PolarHBondContact O-N 3.11Š|
| 526 | A | 48.3 | Very low | 57.9 | Low | 86 Ų | 86 | 132.4 Ų | 132.4 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 134.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | G524 S528 | G524-A526 PolarHBondContact O-N 2.87Å; G524-A526 VanDerWaalsContact O-N 3.1Å; A526-S528 VanDerWaalsContact C-N 3.32Å; A526-S528 PolarHBondContact O-N 3.35Å |
| 527 | P | 52.5 | Low | 56.6 | Low | 118 Ų | 118 | 135.2 Ų | 135.2 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -68.5 | 96.5 | 166.9 | 29.1 | -32 | 0 | 0 | 0 | 107.9 | N529 | P527-N529 PolarHBondContact O-N 3.17Š| ||
| 528 | S | 42.7 | Very low | 55.7 | Low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | trans | -71.6 | 70.3 | 167 | 58.3 | 0 | 0 | 0 | 0 | 109.1 | A526 | A526-S528 VanDerWaalsContact C-N 3.32Å; A526-S528 PolarHBondContact O-N 3.35Å | ||
| 529 | N | 51.5 | Low | 55.3 | Low | 156 Ų | 156 | 132.4 Ų | 132.4 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 126.3 | 160.4 | -102.5 | 40.2 | 0 | 0 | 0 | 107.2 | P527 | P527-N529 PolarHBondContact O-N 3.17Š|
| 530 | E | 54.8 | Low | 54.6 | Low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 155.5 | -168 | -60 | 177.4 | -172.2 | 0 | 0 | 111.1 | ||
| 531 | E | 48.8 | Very low | 54 | Low | 195 Ų | 195 | 134.4 Ų | 134.4 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 149.5 | -180 | -57.6 | 174.2 | 157.3 | 0 | 0 | 111 | ||
| 532 | D | 54.6 | Low | 53.7 | Low | 168 Ų | 168 | 134.3 Ų | 134.3 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | 141.7 | 166.3 | 141 | -155.7 | 14.4 | 0 | 0 | 0 | 114.2 | ||||
| 533 | D | 63.7 | Low | 52.9 | Low | 146 Ų | 146 | 132 Ų | 132 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | 83.2 | 77.4 | 168 | -141.3 | 12.4 | 0 | 0 | 0 | 120.2 | ||||
| 534 | S | 58.8 | Low | 52.2 | Low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | 61.1 | 135.4 | 127.7 | -156.5 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 535 | D | 52 | Low | 52.1 | Low | 140 Ų | 140 | 130.9 Ų | 130.9 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | -68.2 | 155.3 | 165.9 | -43.7 | -93.5 | 0 | 0 | 0 | 113.8 | ||||
| 536 | D | 60.9 | Low | 51.9 | Low | 163 Ų | 163 | 132.7 Ų | 132.7 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | 179.5 | 172.3 | 111 | -101.5 | -29.2 | 0 | 0 | 0 | 113.4 | |||||
| 537 | D | 57.4 | Low | 51.8 | Low | 152 Ų | 152 | 132.8 Ų | 132.8 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -85.1 | -179.3 | -159.2 | -92.2 | -63.5 | 0 | 0 | 0 | 119.6 | ||||
| 538 | D | 56.8 | Low | 51.5 | Low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | 99.3 | 141.2 | 162.4 | -80.4 | -29.6 | 0 | 0 | 0 | 120.1 | ||||
| 539 | V | 55.6 | Low | 51.7 | Low | 111 Ų | 111 | 131.3 Ų | 131.3 | 67% | 0.673 | 81% | 0.814 | S | S | * | * | cis | -171.3 | 146.5 | -35.5 | 114.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 540 | L | 48.6 | Very low | 51.8 | Low | 152 Ų | 152 | 128.9 Ų | 128.9 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | 47.2 | 101.7 | 159.3 | -64.1 | 172.1 | 0 | 0 | 0 | 122.9 | ||||
| 541 | A | 51.6 | Low | 51.7 | Low | 93 Ų | 93 | 124.1 Ų | 124.1 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | 68.8 | 150.6 | 111.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 542 | P | 53.3 | Low | 52.5 | Low | 122 Ų | 122 | 122.5 Ų | 122.5 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | trans | -118 | 159.8 | -169.4 | 42.1 | -31.5 | 0 | 0 | 0 | 116.5 | ||||
| 543 | S | 44.4 | Very low | 52.6 | Low | 134 Ų | 134 | 123.4 Ų | 123.4 | 94% | 0.937 | 81% | 0.813 | S | S | * | * | trans | -172.7 | 142 | 149.9 | -86.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 544 | G | 43.2 | Very low | 52.4 | Low | 82 Ų | 82 | 120.2 Ų | 120.2 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | 166.6 | 126.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 545 | A | 47.9 | Very low | 52.3 | Low | 89 Ų | 89 | 123.8 Ų | 123.8 | 74% | 0.736 | 83% | 0.825 | S | S | * | * | trans | -133.1 | 176.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 546 | T | 43.1 | Very low | 52.6 | Low | 143 Ų | 143 | 120.8 Ų | 120.8 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | 77.9 | 151.9 | 171 | 75.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 547 | A | 46 | Very low | 52.3 | Low | 88 Ų | 88 | 121.8 Ų | 121.8 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | cis | -168.9 | 147.9 | -29.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 548 | A | 46 | Very low | 51.9 | Low | 107 Ų | 107 | 120.6 Ų | 120.6 | 88% | 0.884 | 83% | 0.825 | S | S | * | * | trans | 63.9 | 127.3 | 149 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 549 | G | 46.7 | Very low | 52 | Low | 81 Ų | 81 | 120.2 Ų | 120.2 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | 97.7 | 152.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 550 | A | 54.4 | Low | 51.9 | Low | 106 Ų | 106 | 118.7 Ų | 118.7 | 88% | 0.876 | 84% | 0.835 | S | S | * | * | cis | -167.9 | 156.2 | -16.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 551 | G | 52.6 | Low | 52.4 | Low | 82 Ų | 82 | 116.5 Ų | 116.5 | 85% | 0.845 | 83% | 0.832 | S | S | * | * | trans | 86.2 | 158 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 552 | D | 64.1 | Low | 52.5 | Low | 162 Ų | 162 | 122 Ų | 122 | 87% | 0.866 | 86% | 0.856 | S | S | * | * | cis | -143.7 | 169.7 | 4.5 | -167.3 | 18.5 | 0 | 0 | 0 | 110.9 | ||||
| 553 | E | 58.5 | Low | 52.5 | Low | 187 Ų | 187 | 122 Ų | 122 | 87% | 0.874 | 86% | 0.86 | S | S | * | * | trans | -86.1 | 161.7 | -168.5 | -63.7 | 179.5 | 80.8 | 0 | 0 | 115.3 | ||||
| 554 | G | 59.1 | Low | 52.9 | Low | 78 Ų | 78 | 121.4 Ų | 121.4 | 80% | 0.804 | 86% | 0.855 | S | S | * | * | trans | 179.3 | 80.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 555 | D | 56.5 | Low | 53.4 | Low | 179 Ų | 179 | 123.6 Ų | 123.6 | 96% | 0.957 | 86% | 0.856 | S | S | * | * | trans | -67.4 | 148.5 | 177.5 | -108.4 | -47.2 | 0 | 0 | 0 | 114 | ||||
| 556 | G | 57 | Low | 53.8 | Low | 76 Ų | 76 | 125.6 Ų | 125.6 | 78% | 0.784 | 86% | 0.863 | S | S | * | * | trans | -153.3 | 5.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 557 | Q | 55.7 | Low | 54.4 | Low | 184 Ų | 184 | 124.5 Ų | 124.5 | 86% | 0.86 | 86% | 0.862 | S | S | * | * | trans | 49.1 | 121.4 | 164.3 | -165.9 | 164.2 | -3.1 | 0 | 0 | 120.9 | ||||
| 558 | T | 49.7 | Very low | 55 | Low | 128 Ų | 128 | 126.9 Ų | 126.9 | 79% | 0.785 | 87% | 0.871 | S | S | * | * | trans | -80.2 | 143.5 | 170.8 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 559 | T | 57.4 | Low | 55.6 | Low | 141 Ų | 141 | 128.4 Ų | 128.4 | 87% | 0.865 | 87% | 0.87 | S | S | * | * | trans | -154.5 | 132.5 | 136.4 | 46.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 560 | G | 54.5 | Low | 56.3 | Low | 79 Ų | 79 | 132 Ų | 132 | 81% | 0.814 | 87% | 0.873 | S | S | * | * | trans | -124.1 | 156.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 561 | S | 59.5 | Low | 56.5 | Low | 106 Ų | 106 | 134.2 Ų | 134.2 | 74% | 0.741 | 87% | 0.873 | S | S | * | * | trans | -158.6 | 139 | 170.8 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 562 | T | 53.4 | Low | 56.8 | Low | 208 Ų | 208 | 138.9 Ų | 138.9 | 100% | 1.276 | 88% | 0.875 | S | S | * | * | trans | 50.8 | 0 | 160.4 | 47.9 | 0 | 0 | 0 | 0 | 117.5 |
Retrieved 562 of 562 residues in 130.9 ms
(Link to these results)