| 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 | 43.4 | Very low | 51.8 | Low | 237 Ų | 237 | 167.9 Ų | 167.9 | 100% | 1.167 | 83% | 0.83 | S | S | * | * | 0 | 161.4 | 0 | -64.1 | 176.2 | -178 | 0 | 0 | 109.2 | |||||
| 2 | R | 52.1 | Low | 51 | Low | 251 Ų | 251 | 164.3 Ų | 164.3 | 95% | 0.947 | 83% | 0.825 | S | S | * | * | trans | 49.9 | 102.3 | 167.9 | -66 | -176.6 | 176.8 | 172.3 | -0.5 | 118.3 | ||||
| 3 | K | 44.7 | Very low | 50.4 | Low | 202 Ų | 202 | 160.2 Ų | 160.2 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | -96 | 158.5 | 146 | -70.2 | -179.5 | 176.1 | 179 | 0 | 109 | ||||
| 4 | L | 46.8 | Very low | 49.8 | Very low | 175 Ų | 175 | 159.2 Ų | 159.2 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | 167 | 157.3 | 151.1 | -90 | 158 | 0 | 0 | 0 | 106.5 | ||||
| 5 | S | 65.1 | Low | 49.5 | Very low | 107 Ų | 107 | 157.7 Ų | 157.7 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | cis | -139.9 | 179.5 | 29.6 | -166.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 6 | K | 43.6 | Very low | 49.1 | Very low | 198 Ų | 198 | 156.3 Ų | 156.3 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -162.8 | 123.7 | -177.5 | -137.2 | -164.9 | -173.1 | -165.6 | 0 | 111.2 | ||||
| 7 | S | 57.6 | Low | 48.7 | Very low | 104 Ų | 104 | 154.9 Ų | 154.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 169.1 | 162.4 | 165 | 52.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 8 | Q | 49.7 | Very low | 48.4 | Very low | 159 Ų | 159 | 154.8 Ų | 154.8 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | cis | -161.1 | 163 | -28.3 | -117.2 | -176.3 | -93.8 | 0 | 0 | 110.5 | ||||
| 9 | N | 50.6 | Low | 48 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 66% | 0.658 | 77% | 0.774 | S | S | * | * | trans | 69.7 | 161.3 | 154.5 | -65.2 | 13.9 | 0 | 0 | 0 | 117.7 | ||||
| 10 | D | 58.5 | Low | 47.7 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | cis | -149.9 | 155.7 | 20.1 | -139.3 | -2.8 | 0 | 0 | 0 | 117.7 | ||||
| 11 | M | 57.2 | Low | 47.1 | Very low | 160 Ų | 160 | 151.9 Ų | 151.9 | 79% | 0.788 | 78% | 0.78 | S | S | * | * | trans | 54.1 | 160.4 | 155 | -77.7 | -60.1 | 174.6 | 0 | 0 | 126.2 | ||||
| 12 | T | 43 | Very low | 47.2 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | trans | -151.4 | 152.1 | -166 | 52.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 13 | S | 43.1 | Very low | 46.7 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | -170 | 129.9 | 149.2 | -79.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 14 | E | 42.5 | Very low | 46.5 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | 58.6 | 135.7 | 78.9 | -73.4 | -148.2 | 123 | 0 | 0 | 113.9 | |||||
| 15 | K | 44.3 | Very low | 45.9 | Very low | 136 Ų | 136 | 138 Ų | 138 | 59% | 0.591 | 73% | 0.73 | S | S | * | * | cis | -156.5 | -172.5 | 16.8 | -119.8 | 156.9 | 169.2 | 135.3 | 0 | 108.7 | ||||
| 16 | H | 43.2 | Very low | 44.5 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 63% | 0.625 | 74% | 0.735 | S | S | * | * | cis | -164.3 | 140.7 | 6.6 | -118.5 | -44.1 | 0 | 0 | 0 | 108.4 | ||||
| 17 | L | 43.3 | Very low | 44.3 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | trans | 60.1 | 154.9 | 141.2 | -53.6 | -179.9 | 0 | 0 | 0 | 121.2 | ||||
| 18 | L | 41.9 | Very low | 43.4 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | cis | -168.4 | 170.2 | -15.5 | -91.9 | 164.8 | 0 | 0 | 0 | 105.7 | ||||
| 19 | A | 41.6 | Very low | 42.9 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 63% | 0.628 | 74% | 0.738 | S | S | * | * | cis | -177.3 | -174.9 | -36.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 20 | M | 42.3 | Very low | 42.5 | Very low | 187 Ų | 187 | 137 Ų | 137 | 92% | 0.921 | 74% | 0.74 | S | S | * | * | trans | 86.5 | 153 | 167.1 | -54.4 | -151.3 | 71.4 | 0 | 0 | 119.1 | ||||
| 21 | D | 34.6 | Very low | 41.7 | Very low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | -170.3 | -156.4 | -149.3 | -173 | 36.2 | 0 | 0 | 0 | 107.9 | ||||
| 22 | P | 46.6 | Very low | 40.9 | Very low | 85 Ų | 85 | 145.3 Ų | 145.3 | 55% | 0.552 | 75% | 0.753 | S | S | * | * | -99.7 | 171.7 | -82.6 | 29.6 | -16.9 | 0 | 0 | 0 | 114.5 | |||||
| 23 | R | 40.7 | Very low | 41.1 | Very low | 208 Ų | 208 | 144.6 Ų | 144.6 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | 158.7 | 141.6 | 118.8 | -88.6 | 170.4 | -174.4 | -165.1 | 2.3 | 116 | |||||
| 24 | Q | 39.8 | Very low | 40.8 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 62.5 | 162.8 | 142.4 | -70.2 | 171.4 | -20.4 | 0 | 0 | 119.2 | ||||
| 25 | C | 34.6 | Very low | 41.4 | Very low | 109 Ų | 109 | 144.5 Ų | 144.5 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | cis | -163 | 146.2 | -40.2 | -161 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 26 | V | 36.8 | Very low | 41.3 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | 25.6 | 115.6 | 161.9 | 178.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 27 | G | 38.7 | Very low | 41.9 | Very low | 77 Ų | 77 | 144.5 Ų | 144.5 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -160.2 | 93.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 28 | H | 37.6 | Very low | 41.7 | Very low | 167 Ų | 167 | 143 Ų | 143 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -73.9 | 131.3 | -174.3 | 179.3 | -79 | 0 | 0 | 0 | 114.1 | ||||
| 29 | T | 40.9 | Very low | 42.2 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -160.5 | 157 | 145.8 | -1.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 30 | E | 40.8 | Very low | 42.1 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | trans | -83.1 | 156.6 | -169.5 | -52.1 | 157.1 | 95.1 | 0 | 0 | 113.6 | ||||
| 31 | R | 43.4 | Very low | 42.2 | Very low | 257 Ų | 257 | 142.6 Ų | 142.6 | 97% | 0.97 | 78% | 0.776 | S | S | * | * | -152.6 | 146.3 | 116.6 | -115.3 | 174.9 | -173.5 | -155.3 | 0.3 | 113.5 | |||||
| 32 | R | 38.9 | Very low | 42.4 | Very low | 208 Ų | 208 | 141.6 Ų | 141.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -107.8 | 141.4 | -168.3 | -177 | -178.3 | -173.5 | 162.2 | -1.6 | 109.2 | ||||
| 33 | S | 46.6 | Very low | 42.2 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -148.3 | 125 | 160.7 | -166.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 34 | Q | 38.7 | Very low | 42.2 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -118.7 | 144.8 | 167.6 | -70.1 | 178.4 | -79.7 | 0 | 0 | 107 | ||||
| 35 | S | 54.4 | Low | 42.1 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -141.5 | 68.8 | 178.9 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 36 | D | 42 | Very low | 42.3 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -71 | 135.3 | 155.9 | -78 | -57.7 | 0 | 0 | 0 | 108.8 | ||||
| 37 | T | 55.1 | Low | 42.4 | Very low | 120 Ų | 120 | 143.6 Ų | 143.6 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -147.7 | 92.5 | 169 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | V39 | T37-V39 HydrophobicContact CG2-CG1 4.4Š| ||
| 38 | A | 40.1 | Very low | 42.8 | Very low | 102 Ų | 102 | 146 Ų | 146 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -83.5 | 132 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 39 | V | 52.7 | Low | 43.1 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 79% | 0.788 | 79% | 0.785 | S | S | * | * | trans | -127.9 | 121.9 | 167.9 | -80.6 | 0 | 0 | 0 | 0 | 109.7 | T37 | T37-V39 HydrophobicContact CG2-CG1 4.4Š| ||
| 40 | N | 39.3 | Very low | 42.8 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -113.5 | 120.2 | 177.9 | 174.2 | 13 | 0 | 0 | 0 | 107.8 | ||||
| 41 | V | 44.7 | Very low | 43 | Very low | 135 Ų | 135 | 144 Ų | 144 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -133.5 | 126.8 | 174.3 | -178.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 42 | T | 37.4 | Very low | 42.9 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | -111.9 | 132.4 | -177.7 | 46.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 43 | S | 43.8 | Very low | 42.9 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -155.4 | 107.1 | 159 | 42.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 44 | R | 40.3 | Very low | 42.2 | Very low | 238 Ų | 238 | 137.5 Ų | 137.5 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | 73.3 | 92.1 | 77.3 | -78.1 | -165.6 | 174.6 | -165.7 | 1.3 | 114.6 | |||||
| 45 | K | 37.5 | Very low | 42.1 | Very low | 205 Ų | 205 | 140.2 Ų | 140.2 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | trans | 45.6 | 120.8 | 140.3 | -67.7 | -172.3 | 173 | -172.1 | 0 | 120.1 | ||||
| 46 | A | 39.5 | Very low | 41.4 | Very low | 100 Ų | 100 | 143.7 Ų | 143.7 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | -140 | 139.9 | 123.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 47 | S | 39 | Very low | 41.3 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -99.6 | 178.7 | 163.8 | -52 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 48 | T | 46.1 | Very low | 40.5 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | cis | -179.4 | -178.3 | 30.5 | -0.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 49 | P | 43.4 | Very low | 40.8 | Very low | 96 Ų | 96 | 150.4 Ų | 150.4 | 62% | 0.623 | 80% | 0.802 | S | S | * | * | cis | -131.8 | -168.2 | -49 | 40.6 | -22.6 | 0 | 0 | 0 | 112.5 | ||||
| 50 | D | 36.1 | Very low | 40.3 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | 44 | 133.3 | 147.9 | -53.9 | -32.8 | 0 | 0 | 0 | 123.8 | ||||
| 51 | I | 44.1 | Very low | 40.4 | Very low | 169 Ų | 169 | 150 Ų | 150 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | -156.6 | 139.7 | 113.8 | -101.3 | 157.4 | 0 | 0 | 0 | 111.4 | |||||
| 52 | L | 41.8 | Very low | 40.1 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -57.5 | 144.9 | -174.3 | -56.8 | 160.5 | 0 | 0 | 0 | 115.5 | ||||
| 53 | K | 37.8 | Very low | 40.8 | Very low | 201 Ų | 201 | 151.8 Ų | 151.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | -165.5 | 134.2 | 111.2 | -110.1 | 173.3 | -178.3 | 178.6 | 0 | 112.7 | |||||
| 54 | A | 33 | Very low | 40.7 | Very low | 78 Ų | 78 | 152.5 Ų | 152.5 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | trans | -109.4 | 154.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 55 | F | 36.8 | Very low | 40.8 | Very low | 205 Ų | 205 | 149 Ų | 149 | 90% | 0.899 | 79% | 0.793 | S | S | * | * | trans | -140.3 | 112.3 | 153.3 | -98.4 | -77.9 | 0 | 0 | 0 | 107.7 | ||||
| 56 | H | 39.1 | Very low | 41 | Very low | 180 Ų | 180 | 144.3 Ų | 144.3 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | -82.8 | 149.3 | 159.8 | -81.3 | -108.7 | 0 | 0 | 0 | 108.5 | ||||
| 57 | Q | 39.8 | Very low | 41.2 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -135.3 | 153.9 | 148.8 | -167.6 | 163 | 21.2 | 0 | 0 | 108.2 | ||||
| 58 | E | 38.4 | Very low | 41.3 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | -86.6 | 134.2 | -157.9 | -64.2 | 152.1 | 115.4 | 0 | 0 | 113.8 | ||||
| 59 | D | 45.5 | Very low | 41 | Very low | 150 Ų | 150 | 149.4 Ų | 149.4 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | -0.6 | 168.8 | 118.4 | -108 | -19.7 | 0 | 0 | 0 | 119.2 | |||||
| 60 | P | 43.7 | Very low | 40.7 | Very low | 88 Ų | 88 | 153 Ų | 153 | 57% | 0.571 | 79% | 0.787 | S | S | * | * | cis | -141.9 | -165.5 | -9.8 | 33.7 | -10.7 | 0 | 0 | 0 | 114.8 | ||||
| 61 | K | 40.8 | Very low | 40.9 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | 79.8 | 109 | 154.8 | -64.9 | 160.9 | -175.5 | 172.1 | 0 | 119.3 | ||||
| 62 | H | 38.1 | Very low | 40.5 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | -150.7 | 149.5 | 90 | -115.7 | -89.5 | 0 | 0 | 0 | 111.5 | |||||
| 63 | P | 52.5 | Low | 40.5 | Very low | 108 Ų | 108 | 147.8 Ų | 147.8 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | trans | -90.2 | 169.2 | -174.8 | -4.9 | 26.1 | 0 | 0 | 0 | 114.1 | ||||
| 64 | P | 42.6 | Very low | 40.8 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -93.5 | 167.4 | 178.3 | 38.6 | -35.5 | 0 | 0 | 0 | 113.6 | ||||
| 65 | D | 41.2 | Very low | 41.1 | Very low | 163 Ų | 163 | 146 Ų | 146 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | -137.8 | 150.1 | 162.9 | -114.2 | -39.1 | 0 | 0 | 0 | 111.4 | ||||
| 66 | P | 42.9 | Very low | 41.1 | Very low | 107 Ų | 107 | 141.6 Ų | 141.6 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -125.6 | -168.1 | -172.8 | 30.9 | -8.2 | 0 | 0 | 0 | 114.7 | ||||
| 67 | V | 42.1 | Very low | 41.3 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | trans | 81 | 101.3 | 161 | -167.8 | 0 | 0 | 0 | 0 | 119.2 | K69 | V67-K69 HydrophobicContact CG1-CD 4.23Å; V67-K69 HydrophobicContact CG1-CG 4.1Å | ||
| 68 | L | 41 | Very low | 40.9 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | -158.3 | 112.3 | 122.4 | -151.2 | 70.2 | 0 | 0 | 0 | 106.5 | |||||
| 69 | K | 39.9 | Very low | 41 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | 70.2 | 144.4 | 63.9 | -76.6 | -168.2 | 173.7 | -175.3 | 0 | 114.6 | V67 | V67-K69 HydrophobicContact CG1-CD 4.23Å; V67-K69 HydrophobicContact CG1-CG 4.1Å | |||
| 70 | Q | 38.7 | Very low | 40.9 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | 72.9 | 131.4 | -168.6 | -55.8 | -166.1 | -102.9 | 0 | 0 | 114.8 | ||||
| 71 | D | 38.2 | Very low | 40.5 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | cis | -148 | 172.7 | -10.5 | -118.8 | -42.1 | 0 | 0 | 0 | 114.8 | ||||
| 72 | T | 37.4 | Very low | 40.4 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -90.9 | 149.2 | -159.5 | -59.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 73 | P | 42 | Very low | 40.5 | Very low | 111 Ų | 111 | 132.2 Ų | 132.2 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | trans | -97.3 | -146.3 | -178.8 | 44.6 | -39.6 | 0 | 0 | 0 | 109.9 | ||||
| 74 | P | 43.5 | Very low | 39.8 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | cis | -125.9 | -178.2 | -24.2 | 40.8 | -25.8 | 0 | 0 | 0 | 113.4 | ||||
| 75 | S | 38.1 | Very low | 39.4 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | -126.8 | 121.8 | 161.7 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 76 | S | 37.7 | Very low | 39.4 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -98 | -179.1 | -172.7 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 77 | P | 42.5 | Very low | 39.2 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | trans | -114 | -164.2 | -150.3 | 43.4 | -37 | 0 | 0 | 0 | 115.1 | ||||
| 78 | T | 31.9 | Very low | 39.1 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | 94.8 | 118.4 | 160.2 | -36.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 79 | H | 41.5 | Very low | 39.2 | Very low | 181 Ų | 181 | 136 Ų | 136 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -146.7 | 136.6 | 146.9 | -104.5 | -80.6 | 0 | 0 | 0 | 111.1 | ||||
| 80 | S | 42.7 | Very low | 38.8 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | 9 | 119.6 | 157.6 | 49.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 81 | A | 34.5 | Very low | 38.8 | Very low | 93 Ų | 93 | 127.1 Ų | 127.1 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | 78.1 | 145.6 | 41.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 82 | V | 38.7 | Very low | 39 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 66.8 | 108.2 | 172.3 | -163.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 83 | F | 40.1 | Very low | 39.2 | Very low | 216 Ų | 216 | 130.6 Ų | 130.6 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | -153.2 | 126.6 | 125.9 | -101.3 | -67.4 | 0 | 0 | 0 | 109.8 | |||||
| 84 | S | 37.6 | Very low | 38.7 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -116.8 | 151.6 | -176.9 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 85 | G | 36.2 | Very low | 38.8 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | 96 | 95.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 86 | G | 39.9 | Very low | 38.6 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -160.2 | 108.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 87 | L | 38.9 | Very low | 38.5 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -85.9 | 157.9 | -177.1 | -69.3 | 77 | 0 | 0 | 0 | 111.4 | ||||
| 88 | R | 40.3 | Very low | 37.9 | Very low | 232 Ų | 232 | 131 Ų | 131 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | 70.6 | 100.3 | 164.1 | -44.2 | 178.9 | -171.5 | 177.5 | 2.2 | 116.1 | ||||
| 89 | H | 42.1 | Very low | 38.1 | Very low | 187 Ų | 187 | 131.4 Ų | 131.4 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | -166.9 | 159.1 | 87.1 | -144.2 | -97.2 | 0 | 0 | 0 | 110.8 | |||||
| 90 | G | 33.2 | Very low | 38.1 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -75.2 | 134 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 91 | S | 37.9 | Very low | 38.3 | Very low | 86 Ų | 86 | 128 Ų | 128 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | trans | -144.1 | 89.7 | 171.8 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | I93 | S91-I93 VanDerWaalsContact C-N 3.28Å; S91-I93 PolarHBondContact O-N 3.25Å; S91-I93 VanDerWaalsContact O-N 3.16Å | ||
| 92 | L | 42.5 | Very low | 38.7 | Very low | 175 Ų | 175 | 132.1 Ų | 132.1 | 92% | 0.916 | 77% | 0.77 | S | S | * | * | trans | -86.8 | 50.5 | -177.9 | -68.4 | 172.5 | 0 | 0 | 0 | 112.8 | ||||
| 93 | I | 41.8 | Very low | 38.7 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | trans | -136.8 | 44 | 179.9 | 54.1 | 169.1 | 0 | 0 | 0 | 113.8 | S91 | S91-I93 VanDerWaalsContact C-N 3.28Å; S91-I93 PolarHBondContact O-N 3.25Å; S91-I93 VanDerWaalsContact O-N 3.16Å | ||
| 94 | S | 32.2 | Very low | 39 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -134.3 | 60.7 | 173.5 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 95 | I | 45.1 | Very low | 40 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | trans | -135.7 | 125 | 173.5 | 36.6 | 172.6 | 0 | 0 | 0 | 112.5 | ||||
| 96 | N | 34.3 | Very low | 41.3 | Very low | 143 Ų | 143 | 123.8 Ų | 123.8 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | trans | 57.9 | 108.7 | 131.1 | -60.3 | -0.7 | 0 | 0 | 0 | 118.2 | ||||
| 97 | S | 35 | Very low | 42.6 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | 97.1 | 126.7 | 58.2 | 70.5 | 0 | 0 | 0 | 0 | 113.5 | C99 | S97-C99 PolarHBondContact O-N 2.94Š| |||
| 98 | T | 30.3 | Very low | 44.3 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 66% | 0.656 | 66% | 0.664 | S | S | * | * | trans | 58.2 | 51.2 | 145.5 | -37.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 99 | C | 36.1 | Very low | 46.5 | Very low | 129 Ų | 129 | 114.4 Ų | 114.4 | 87% | 0.872 | 66% | 0.66 | S | S | * | * | trans | -130.7 | 161.4 | 161.2 | -92.7 | 0 | 0 | 0 | 0 | 112.5 | S97 | S97-C99 PolarHBondContact O-N 2.94Š| ||
| 100 | T | 41.1 | Very low | 48.9 | Very low | 126 Ų | 126 | 107.2 Ų | 107.2 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | trans | -74.8 | 135.4 | -172.4 | 43.2 | 0 | 0 | 0 | 0 | 114 | M102 | T100-M102 PolarHBondContact O-N 3.07Š| ||
| 101 | E | 45.9 | Very low | 51.8 | Low | 81 Ų | 81 | 106.9 Ų | 106.9 | 38% | 0.379 | 61% | 0.613 | S | S | . | * | S | Bend | trans | 39.8 | 1.9 | 154.1 | -130.7 | -164.8 | 140.8 | 0 | 0 | 122.1 | R159 K240 | E101-R159 IonicContact OE1-NH1 3.61Å; E101-R159 WeakPolarHBondContact OE2-CD 3.29Å; E101-R159 IonicContact OE2-CZ 2.76Å; E101-R159 IonicContact OE2-NE 2.65Å; E101-R159 IonicContact OE2-NH1 3.8Å; E101-R159 PolarHBondContact OE2-NH1 2.72Å; E101-K240 IonicContact OE1-NZ 3.41Å; E101-K240 PolarHBondContact OE1-NZ 2.79Å |
| 102 | M | 43 | Very low | 54.6 | Low | 179 Ų | 179 | 103.7 Ų | 103.7 | 88% | 0.882 | 59% | 0.594 | S | S | * | * | trans | -105.8 | 45.1 | -176.5 | -159.8 | 68.1 | 76.3 | 0 | 0 | 111.6 | T100 | T100-M102 PolarHBondContact O-N 3.07Š| ||
| 103 | G | 40.1 | Very low | 57.3 | Low | 39 Ų | 39 | 98.2 Ų | 98.2 | 40% | 0.402 | 56% | 0.564 | S | S | . | * | trans | -87.8 | 138.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | F105 | G103-F105 VanDerWaalsContact O-CD2 3.25Å; G103-F105 WeakPolarHBondContact O-CD2 3.37Å; G103-F105 PolarHBondContact O-N 3.4Å | ||
| 104 | N | 45.8 | Very low | 60 | Low | 172 Ų | 172 | 91 Ų | 91 | 92% | 0.92 | 53% | 0.526 | S | S | * | . | trans | -65.6 | 87.9 | 167.6 | -76.8 | 4.1 | 0 | 0 | 0 | 109.3 | ||||
| 105 | F | 58.4 | Low | 63.1 | Low | 75 Ų | 75 | 88 Ų | 88 | 33% | 0.329 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -91.2 | 126.8 | 165 | -52.9 | -61.8 | 0 | 0 | 0 | 107.6 | G103 W201 R209 | G103-F105 VanDerWaalsContact O-CD2 3.25Å; G103-F105 WeakPolarHBondContact O-CD2 3.37Å; G103-F105 PolarHBondContact O-N 3.4Å; F105-W201 HydrophobicContact CB-CZ3 4.29Å; F105-W201 HydrophobicContact CD1-CZ3 4.42Å; F105-W201 HydrophobicContact CD2-CH2 4.22Å; F105-W201 HydrophobicContact CD2-CZ3 4.07Å; F105-W201 AromaticContact CG-CZ3 3.99Å; F105-W201 HydrophobicContact CG-CZ3 3.99Å; F105-R209 HydrophobicContact CD1-CB 3.93Å; F105-R209 HydrophobicContact CE1-CB 4.16Å |
| 106 | D | 63.9 | Low | 65.6 | Low | 74 Ų | 74 | 81.4 Ų | 81.4 | 40% | 0.396 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 140.1 | 169.4 | -45.4 | 65.2 | 0 | 0 | 0 | 109.3 | R208 V210 F211 | D106-R208 IonicContact OD1-CZ 2.69Å; D106-R208 IonicContact OD1-NE 3.67Å; D106-R208 PolarHBondContact OD1-NE 2.84Å; D106-R208 IonicContact OD1-NH2 3.52Å; D106-R208 PolarHBondContact OD1-NH2 2.85Å; D106-R208 IonicContact OD2-CZ 3.56Å; D106-R208 IonicContact OD2-NE 2.8Å; D106-R208 IonicContact OD2-NH2 3.36Å; D106-R208 PolarHBondContact OD2-NH2 2.85Å; D106-V210 HydrophobicContact CB-CG1 4.3Å; D106-V210 HydrophobicContact CB-CG2 4.14Å; D106-V210 WeakPolarHBondContact O-CA 3.37Å; D106-V210 VanDerWaalsContact O-CG1 3.27Å; D106-V210 WeakPolarHBondContact O-CG1 3.2Å; D106-F211 PolarHBondContact O-N 2.8Å |
| 107 | N | 66.7 | Low | 68.5 | Low | 99 Ų | 99 | 74.8 Ų | 74.8 | 53% | 0.529 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.7 | 167.9 | -68.8 | -31.8 | 0 | 0 | 0 | 108.3 | ||
| 108 | A | 75.5 | Confident | 71.3 | Confident | 17 Ų | 17 | 70.3 Ų | 70.3 | 14% | 0.14 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 162.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | V110 A138 V210 F211 L212 | A108-V110 PolarHBondContact O-N 3.12Å; A108-A138 HydrophobicContact CB-CB 3.98Å; A108-V210 HydrophobicContact CB-CG1 4.09Å; A108-F211 PolarHBondContact N-O 2.85Å; A108-L212 HydrophobicContact CB-CD2 3.84Å |
| 109 | N | 86.1 | Confident | 74.3 | Confident | 149 Ų | 149 | 68.1 Ų | 68.1 | 80% | 0.797 | 38% | 0.383 | S | S | * | . | trans | -64 | 101.7 | 163.2 | -68.9 | -12.9 | 0 | 0 | 0 | 107.5 | T111 A138 | N109-T111 PolarHBondContact O-N 2.73Å; N109-A138 WeakPolarHBondContact O-CB 3.35Å | ||
| 110 | V | 91.7 | Very high | 76.9 | Confident | 35 Ų | 35 | 63 Ų | 63 | 21% | 0.212 | 35% | 0.345 | C | S | . | . | trans | -65 | 124.1 | -170.7 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | A108 F211 L212 L237 A239 | A108-V110 PolarHBondContact O-N 3.12Å; V110-F211 HydrophobicContact CG2-CD1 4.34Å; V110-F211 HydrophobicContact CG2-CE1 4.22Å; V110-L212 WeakPolarHBondContact CG1-O 3.46Å; V110-L237 HydrophobicContact CG1-CB 3.88Å; V110-L237 WeakPolarHBondContact CG1-O 3.29Å; V110-A239 HydrophobicContact CG2-CB 4.31Å | ||
| 111 | T | 94.6 | Very high | 79.3 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | trans | -137.5 | 162.9 | 174.7 | 65.4 | 0 | 0 | 0 | 0 | 110.6 | N109 N136 A138 | N109-T111 PolarHBondContact O-N 2.73Å; T111-N136 CarbonylContact C-O 3.53Å; T111-N136 WeakPolarHBondContact CB-O 3.25Å; T111-N136 PolarHBondContact OG1-O 2.78Å; T111-A138 PolarHBondContact OG1-N 2.93Å; T111-A138 VanDerWaalsContact OG1-N 3.12Å | ||
| 112 | G | 96.8 | Very high | 81.3 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | trans | 91.7 | -176.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K135 N136 L237 | G112-K135 WeakPolarHBondContact CA-O 3.34Å; G112-N136 VanDerWaalsContact CA-O 3.25Å; G112-N136 WeakPolarHBondContact CA-O 3.34Å; G112-N136 PolarHBondContact N-O 2.87Å; G112-L237 WeakPolarHBondContact O-CB 3.25Å; G112-L237 PolarHBondContact O-N 3.01Å | ||
| 113 | E | 98.2 | Very high | 83.5 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 28% | 0.28 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 156.2 | -174.4 | -49.3 | -165.8 | 87.3 | 0 | 0 | 110 | C134 K135 W234 Y235 | E113-C134 CarbonylContact O-C 3.18Å; E113-C134 VanDerWaalsContact O-CA 3.23Å; E113-C134 WeakPolarHBondContact O-CA 3.32Å; E113-C134 WeakPolarHBondContact O-CB 3.47Å; E113-K135 HydrophobicContact CB-CG 4.4Å; E113-K135 PolarHBondContact N-O 2.93Å; E113-K135 PolarHBondContact O-N 2.82Å; E113-K135 WeakPolarHBondContact OE2-CE 3.44Å; E113-K135 IonicContact OE2-NZ 2.75Å; E113-K135 PolarHBondContact OE2-NZ 2.9Å; E113-W234 HydrophobicContact CB-CE3 3.59Å; E113-W234 HydrophobicContact CB-CZ3 4.04Å; E113-Y235 VanDerWaalsContact CA-O 3.3Å; E113-Y235 WeakPolarHBondContact CA-O 3.45Å |
| 114 | I | 98.6 | Very high | 85.9 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.3 | 173.9 | -177 | 170.7 | 0 | 0 | 0 | 110.2 | F116 I131 V151 V198 V200 V215 W234 Y235 L237 | I114-F116 HydrophobicContact CD1-CD1 4.37Å; I114-F116 HydrophobicContact CG1-CD1 4.11Å; I114-F116 HydrophobicContact CG2-CD1 4.1Å; I114-F116 HydrophobicContact CG2-CE1 4Å; I114-I131 HydrophobicContact CD1-CG2 4.38Å; I114-V151 HydrophobicContact CD1-CG1 4.13Å; I114-V151 HydrophobicContact CD1-CG2 3.77Å; I114-V198 HydrophobicContact CD1-CG1 3.81Å; I114-V200 HydrophobicContact CD1-CG2 4.07Å; I114-V215 HydrophobicContact CG2-CG2 3.77Å; I114-W234 WeakPolarHBondContact O-CA 3.49Å; I114-Y235 PolarHBondContact N-O 2.99Å; I114-Y235 PolarHBondContact O-N 3.32Å; I114-L237 HydrophobicContact CB-CD2 4.15Å; I114-L237 HydrophobicContact CG2-CD2 3.65Å; I114-L237 HydrophobicContact CG2-CG 4.41Å |
| 115 | E | 98.2 | Very high | 88.1 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 22% | 0.22 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.5 | 172.5 | -167.8 | -174.9 | -114.6 | 0 | 0 | 110.4 | K132 T133 A232 R233 W234 | E115-K132 HydrophobicContact CB-CB 4.13Å; E115-K132 HydrophobicContact CG-CB 4.1Å; E115-K132 HydrophobicContact CG-CG 4.43Å; E115-K132 WeakPolarHBondContact O-CB 3.37Å; E115-K132 PolarHBondContact O-N 2.85Å; E115-K132 WeakPolarHBondContact OE2-CB 3.11Å; E115-T133 HydrophobicContact CB-CG2 4.1Å; E115-T133 PolarHBondContact N-O 3.17Å; E115-T133 PolarHBondContact O-N 2.87Å; E115-A232 HydrophobicContact CG-CB 4.06Å; E115-R233 WeakPolarHBondContact CA-O 3.22Å; E115-W234 HydrophobicContact CB-CD2 3.76Å; E115-W234 HydrophobicContact CB-CE3 3.91Å; E115-W234 HydrophobicContact CB-CG 4.34Å; E115-W234 HydrophobicContact CB-CH2 4.04Å; E115-W234 HydrophobicContact CB-CZ2 3.83Å; E115-W234 HydrophobicContact CB-CZ3 4.04Å; E115-W234 HydrophobicContact CG-CD2 4.24Å; E115-W234 HydrophobicContact CG-CG 4.4Å; E115-W234 HydrophobicContact CG-CZ2 4.39Å; E115-W234 PolarHBondContact OE1-NE1 2.91Å |
| 116 | F | 97.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 160.5 | 172.1 | 64.1 | -84.3 | 0 | 0 | 0 | 112.6 | I114 I118 I129 C130 I131 L196 V198 V215 L217 A232 R233 Y235 | I114-F116 HydrophobicContact CD1-CD1 4.37Å; I114-F116 HydrophobicContact CG1-CD1 4.11Å; I114-F116 HydrophobicContact CG2-CD1 4.1Å; I114-F116 HydrophobicContact CG2-CE1 4Å; F116-I118 HydrophobicContact CD2-CG1 4.04Å; F116-I118 HydrophobicContact CE2-CD1 4.03Å; F116-I118 HydrophobicContact CE2-CG1 3.91Å; F116-I129 HydrophobicContact CD2-CG2 3.86Å; F116-I129 HydrophobicContact CE2-CG2 4.48Å; F116-C130 CarbonylContact C-O 3.46Å; F116-C130 WeakPolarHBondContact CA-O 3.4Å; F116-C130 VanDerWaalsContact CB-O 3.27Å; F116-C130 WeakPolarHBondContact CB-O 3.46Å; F116-I131 HydrophobicContact CB-CD1 3.95Å; F116-I131 HydrophobicContact CG-CD1 4.4Å; F116-L196 HydrophobicContact CE2-CD2 4.17Å; F116-V198 HydrophobicContact CE1-CB 4.33Å; F116-V198 HydrophobicContact CE1-CG1 4.3Å; F116-V198 HydrophobicContact CE1-CG2 4.19Å; F116-V198 HydrophobicContact CE2-CG2 3.9Å; F116-V198 HydrophobicContact CZ-CB 4.27Å; F116-V198 HydrophobicContact CZ-CG2 3.68Å; F116-V215 HydrophobicContact CZ-CG1 4.48Å; F116-L217 HydrophobicContact CE2-CD1 3.87Å; F116-L217 HydrophobicContact CZ-CD1 3.66Å; F116-A232 WeakPolarHBondContact O-CA 3.45Å; F116-R233 PolarHBondContact N-O 3.39Å; F116-R233 VanDerWaalsContact N-O 3.12Å; F116-R233 PolarHBondContact O-N 3.32Å; F116-Y235 AromaticContact CD1-CD2 3.78Å; F116-Y235 HydrophobicContact CD1-CD2 3.78Å; F116-Y235 HydrophobicContact CD1-CE2 4.22Å; F116-Y235 AromaticContact CE1-CD2 3.29Å; F116-Y235 HydrophobicContact CE1-CD2 3.29Å; F116-Y235 AromaticContact CE1-CE2 3.82Å; F116-Y235 HydrophobicContact CE1-CE2 3.82Å; F116-Y235 AromaticContact CE1-CG 3.94Å; F116-Y235 HydrophobicContact CE1-CG 3.94Å; F116-Y235 HydrophobicContact CE2-CD2 4.5Å; F116-Y235 HydrophobicContact CE2-CE2 4.21Å; F116-Y235 AromaticContact CZ-CD2 3.71Å; F116-Y235 HydrophobicContact CZ-CD2 3.71Å; F116-Y235 AromaticContact CZ-CE2 3.81Å; F116-Y235 HydrophobicContact CZ-CE2 3.81Å; F116-Y235 HydrophobicContact CZ-CG 4.31Å |
| 117 | A | 94.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 154.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | H119 I129 C130 A232 | A117-H119 WeakPolarHBondContact CB-NE2 3.44Å; A117-I129 CarbonylContact O-C 3.51Å; A117-I129 WeakPolarHBondContact O-CA 3.49Å; A117-C130 HydrophobicContact CB-CB 4.24Å; A117-C130 PolarHBondContact N-O 3.09Å; A117-C130 PolarHBondContact O-N 2.97Å; A117-A232 HydrophobicContact CB-CB 4.23Å |
| 118 | I | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 122.5 | 172.3 | -43.9 | 176.4 | 0 | 0 | 0 | 109.2 | F116 L127 E128 L196 L217 L219 W222 F224 | F116-I118 HydrophobicContact CD2-CG1 4.04Å; F116-I118 HydrophobicContact CE2-CD1 4.03Å; F116-I118 HydrophobicContact CE2-CG1 3.91Å; I118-L127 HydrophobicContact CG2-CD1 3.61Å; I118-L127 HydrophobicContact CG2-CG 4.27Å; I118-E128 WeakPolarHBondContact CA-O 3.38Å; I118-L196 HydrophobicContact CD1-CD2 3.64Å; I118-L196 HydrophobicContact CG1-CD2 4.13Å; I118-L217 HydrophobicContact CD1-CD1 3.92Å; I118-L219 HydrophobicContact CD1-CD2 4.28Å; I118-W222 HydrophobicContact CB-CH2 4.35Å; I118-W222 HydrophobicContact CB-CZ2 3.65Å; I118-W222 HydrophobicContact CD1-CD2 4.01Å; I118-W222 HydrophobicContact CD1-CE3 3.92Å; I118-W222 HydrophobicContact CD1-CH2 3.73Å; I118-W222 HydrophobicContact CD1-CZ2 3.83Å; I118-W222 HydrophobicContact CD1-CZ3 3.78Å; I118-W222 HydrophobicContact CG1-CH2 3.96Å; I118-W222 HydrophobicContact CG1-CZ2 3.77Å; I118-W222 PolarHBondContact O-NE1 3.22Å; I118-F224 HydrophobicContact CG2-CE1 4.11Å |
| 119 | H | 91.8 | Very high | 93.5 | Very high | 60 Ų | 60 | 45.9 Ų | 45.9 | 28% | 0.278 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 157.3 | 175.7 | -48.9 | -93 | 0 | 0 | 0 | 110 | A117 E128 Q230 | A117-H119 WeakPolarHBondContact CB-NE2 3.44Å; H119-E128 HydrophobicContact CB-CB 4.48Å; H119-E128 PolarHBondContact N-O 2.85Å; H119-E128 PolarHBondContact O-N 3.38Å; H119-Q230 PolarHBondContact CE1-O 2.79Å; H119-Q230 PolarHBondContact ND1-OE1 3.02Å |
| 120 | Y | 92.2 | Very high | 94 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 9% | 0.086 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 112.3 | 168.1 | -173.5 | -94 | 0 | 0 | 0 | 111 | V122 C125 L127 V186 P188 L191 F224 | Y120-V122 HydrophobicContact CD1-CG2 3.87Å; Y120-V122 HydrophobicContact CE1-CB 4.47Å; Y120-V122 HydrophobicContact CE1-CG2 4.04Å; Y120-V122 PolarHBondContact O-N 2.69Å; Y120-C125 VanDerWaalsContact OH-C 3.29Å; Y120-C125 VanDerWaalsContact OH-CA 3.24Å; Y120-C125 WeakPolarHBondContact OH-CA 3.21Å; Y120-L127 HydrophobicContact CD2-CB 4.05Å; Y120-L127 HydrophobicContact CD2-CD1 4.26Å; Y120-V186 HydrophobicContact CE2-CG1 4.11Å; Y120-V186 VanDerWaalsContact CE2-O 3.29Å; Y120-V186 WeakPolarHBondContact CE2-O 3.48Å; Y120-V186 PolarHBondContact OH-O 3.42Å; Y120-P188 HydrophobicContact CE1-CB 4.33Å; Y120-P188 HydrophobicContact CE1-CG 3.83Å; Y120-P188 VanDerWaalsContact OH-CD 3.25Å; Y120-P188 WeakPolarHBondContact OH-CD 3.45Å; Y120-P188 WeakPolarHBondContact OH-CG 3.17Å; Y120-L191 HydrophobicContact CD1-CD1 4.44Å; Y120-L191 HydrophobicContact CD2-CD1 3.69Å; Y120-L191 HydrophobicContact CD2-CD2 4.17Å; Y120-L191 HydrophobicContact CD2-CG 4.47Å; Y120-L191 HydrophobicContact CE2-CD1 3.92Å; Y120-L191 HydrophobicContact CE2-CD2 4.26Å; Y120-L191 HydrophobicContact CE2-CG 4.44Å; Y120-L191 HydrophobicContact CG-CD1 3.97Å; Y120-F224 VanDerWaalsContact CB-CD1 3.47Å |
| 121 | C | 90.6 | Very high | 94.3 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 30% | 0.297 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 98.6 | 176.9 | -174.7 | 0 | 0 | 0 | 0 | 110 | K123 S124 C125 S126 | C121-K123 PolarHBondContact O-N 2.92Å; C121-S124 WeakPolarHBondContact CB-OG 3.46Å; C121-S124 CarbonylContact O-C 3.6Å; C121-S124 PolarHBondContact O-N 2.89Å; C121-S124 PolarHBondContact SG-OG 2.8Å; C121-C125 PolarHBondContact O-N 2.79Å; C121-S126 PolarHBondContact N-O 3.29Å; C121-S126 PolarHBondContact O-N 3.36Å; C121-S126 VanDerWaalsContact O-N 3.12Å |
| 122 | V | 88.5 | Confident | 94.5 | Very high | 107 Ų | 107 | 37.9 Ų | 37.9 | 65% | 0.648 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -57.7 | -35.8 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | Y120 S124 C125 | Y120-V122 HydrophobicContact CD1-CG2 3.87Å; Y120-V122 HydrophobicContact CE1-CB 4.47Å; Y120-V122 HydrophobicContact CE1-CG2 4.04Å; Y120-V122 PolarHBondContact O-N 2.69Å; V122-S124 PolarHBondContact O-N 2.81Å; V122-C125 PolarHBondContact O-N 2.88Å |
| 123 | K | 89.7 | Confident | 94.6 | Very high | 210 Ų | 210 | 38.1 Ų | 38.1 | 91% | 0.913 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -64.5 | -23.7 | -179.5 | -68.7 | -176.5 | 177.5 | -179.1 | 0 | 114.1 | C121 | C121-K123 PolarHBondContact O-N 2.92Š|
| 124 | S | 89.7 | Confident | 94.6 | Very high | 51 Ų | 51 | 35.3 Ų | 35.3 | 36% | 0.357 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -124.9 | 17.1 | -178.5 | 54.3 | 0 | 0 | 0 | 0 | 113 | C121 V122 S126 Q185 | C121-S124 WeakPolarHBondContact CB-OG 3.46Å; C121-S124 CarbonylContact O-C 3.6Å; C121-S124 PolarHBondContact O-N 2.89Å; C121-S124 PolarHBondContact SG-OG 2.8Å; V122-S124 PolarHBondContact O-N 2.81Å; S124-S126 WeakPolarHBondContact O-CB 3.32Å; S124-S126 PolarHBondContact O-N 3Å; S124-S126 VanDerWaalsContact O-N 3.1Å; S124-S126 PolarHBondContact OG-OG 2.82Å; S124-Q185 PolarHBondContact O-NE2 2.91Å; S124-Q185 VanDerWaalsContact O-NE2 3.1Å; S124-Q185 PolarHBondContact O-OE1 3.07Å; S124-Q185 VanDerWaalsContact O-OE1 3.11Å |
| 125 | C | 91.1 | Very high | 94.5 | Very high | 56 Ų | 56 | 38.2 Ų | 38.2 | 38% | 0.378 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 40.8 | 43.1 | -175.6 | -63.2 | 0 | 0 | 0 | 0 | 114 | Y120 C121 V122 Q185 V186 | Y120-C125 VanDerWaalsContact OH-C 3.29Å; Y120-C125 VanDerWaalsContact OH-CA 3.24Å; Y120-C125 WeakPolarHBondContact OH-CA 3.21Å; C121-C125 PolarHBondContact O-N 2.79Å; V122-C125 PolarHBondContact O-N 2.88Å; C125-Q185 PolarHBondContact O-OE1 2.9Å; C125-V186 CarbonylContact O-C 3.6Å; C125-V186 PolarHBondContact O-N 3.31Å |
| 126 | S | 92.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.5 | -167.3 | 59.6 | 0 | 0 | 0 | 0 | 114.8 | C121 S124 E128 Y184 | C121-S126 PolarHBondContact N-O 3.29Å; C121-S126 PolarHBondContact O-N 3.36Å; C121-S126 VanDerWaalsContact O-N 3.12Å; S124-S126 WeakPolarHBondContact O-CB 3.32Å; S124-S126 PolarHBondContact O-N 3Å; S124-S126 VanDerWaalsContact O-N 3.1Å; S124-S126 PolarHBondContact OG-OG 2.82Å; S126-E128 PolarHBondContact OG-OE1 3.01Å; S126-Y184 CarbonylContact C-O 3.55Å; S126-Y184 WeakPolarHBondContact CA-O 3.38Å; S126-Y184 WeakPolarHBondContact CB-O 3.47Å |
| 127 | L | 94.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 126.8 | 168.3 | -175.4 | 76.5 | 0 | 0 | 0 | 109 | I118 Y120 I129 L155 K183 Y184 V186 L191 L219 F224 | I118-L127 HydrophobicContact CG2-CD1 3.61Å; I118-L127 HydrophobicContact CG2-CG 4.27Å; Y120-L127 HydrophobicContact CD2-CB 4.05Å; Y120-L127 HydrophobicContact CD2-CD1 4.26Å; L127-I129 HydrophobicContact CD2-CD1 4.08Å; L127-I129 HydrophobicContact CG-CD1 4.01Å; L127-L155 HydrophobicContact CD2-CD1 3.97Å; L127-K183 WeakPolarHBondContact O-CA 3.48Å; L127-Y184 PolarHBondContact N-O 3.04Å; L127-Y184 PolarHBondContact O-N 3.47Å; L127-V186 HydrophobicContact CB-CG1 3.68Å; L127-L191 HydrophobicContact CB-CD2 4.45Å; L127-L191 HydrophobicContact CD1-CD2 4.08Å; L127-L191 HydrophobicContact CD2-CD2 4.42Å; L127-L219 HydrophobicContact CD1-CD1 4.48Å; L127-L219 HydrophobicContact CD2-CD1 3.6Å; L127-F224 HydrophobicContact CD1-CE1 3.51Å; L127-F224 HydrophobicContact CD1-CZ 3.89Å |
| 128 | E | 95 | Very high | 94.6 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 15% | 0.145 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 122 | -174.9 | -51.1 | -158.3 | 178.4 | 0 | 0 | 110.5 | I118 H119 S126 T181 K183 | I118-E128 WeakPolarHBondContact CA-O 3.38Å; H119-E128 HydrophobicContact CB-CB 4.48Å; H119-E128 PolarHBondContact N-O 2.85Å; H119-E128 PolarHBondContact O-N 3.38Å; S126-E128 PolarHBondContact OG-OE1 3.01Å; E128-T181 HydrophobicContact CB-CG2 3.92Å; E128-K183 HydrophobicContact CB-CG 4.45Å; E128-K183 HydrophobicContact CG-CD 4.05Å; E128-K183 HydrophobicContact CG-CG 4.03Å; E128-K183 WeakPolarHBondContact OE1-CD 3.25Å; E128-K183 WeakPolarHBondContact OE1-CE 3.5Å; E128-K183 IonicContact OE1-NZ 2.7Å; E128-K183 PolarHBondContact OE1-NZ 3.47Å; E128-K183 WeakPolarHBondContact OE2-CE 3.48Å; E128-K183 IonicContact OE2-NZ 3.13Å; E128-K183 PolarHBondContact OE2-NZ 2.68Å |
| 129 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 104.8 | -178.5 | -55.7 | 78.8 | 0 | 0 | 0 | 107.4 | F116 A117 L127 I131 T181 L182 Y184 L196 | F116-I129 HydrophobicContact CD2-CG2 3.86Å; F116-I129 HydrophobicContact CE2-CG2 4.48Å; A117-I129 CarbonylContact O-C 3.51Å; A117-I129 WeakPolarHBondContact O-CA 3.49Å; L127-I129 HydrophobicContact CD2-CD1 4.08Å; L127-I129 HydrophobicContact CG-CD1 4.01Å; I129-I131 HydrophobicContact CG2-CD1 3.7Å; I129-I131 PolarHBondContact O-N 3.22Å; I129-T181 WeakPolarHBondContact O-CA 3.29Å; I129-L182 WeakPolarHBondContact CD1-O 3.42Å; I129-L182 PolarHBondContact N-O 3.34Å; I129-L182 PolarHBondContact O-N 2.91Å; I129-Y184 HydrophobicContact CD1-CD2 3.58Å; I129-Y184 HydrophobicContact CD1-CE2 3.73Å; I129-L196 HydrophobicContact CD1-CD1 4.17Å; I129-L196 HydrophobicContact CG1-CD1 3.93Å; I129-L196 HydrophobicContact CG1-CD2 3.66Å; I129-L196 HydrophobicContact CG1-CG 4.47Å; I129-L196 HydrophobicContact CG2-CD2 4.27Å |
| 130 | C | 96.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 41.6 Ų | 41.6 | 10% | 0.095 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 99.3 | 179.5 | -166.8 | 0 | 0 | 0 | 0 | 109.3 | F116 A117 K132 T181 | F116-C130 CarbonylContact C-O 3.46Å; F116-C130 WeakPolarHBondContact CA-O 3.4Å; F116-C130 VanDerWaalsContact CB-O 3.27Å; F116-C130 WeakPolarHBondContact CB-O 3.46Å; A117-C130 HydrophobicContact CB-CB 4.24Å; A117-C130 PolarHBondContact N-O 3.09Å; A117-C130 PolarHBondContact O-N 2.97Å; C130-K132 PolarHBondContact O-N 2.97Å; C130-T181 PolarHBondContact SG-OG1 3.15Å |
| 131 | I | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 114.8 | 176.8 | -54.4 | -59.2 | 0 | 0 | 0 | 108.3 | I114 F116 I129 V151 T167 F178 E179 E180 L182 V198 | I114-I131 HydrophobicContact CD1-CG2 4.38Å; F116-I131 HydrophobicContact CB-CD1 3.95Å; F116-I131 HydrophobicContact CG-CD1 4.4Å; I129-I131 HydrophobicContact CG2-CD1 3.7Å; I129-I131 PolarHBondContact O-N 3.22Å; I131-V151 HydrophobicContact CD1-CG1 4.07Å; I131-V151 HydrophobicContact CG1-CG1 4.42Å; I131-V151 HydrophobicContact CG2-CB 4.38Å; I131-V151 HydrophobicContact CG2-CG2 3.84Å; I131-T167 HydrophobicContact CB-CG2 4.19Å; I131-T167 HydrophobicContact CG1-CG2 4.14Å; I131-T167 HydrophobicContact CG2-CG2 4.2Å; I131-F178 HydrophobicContact CG2-CB 3.97Å; I131-F178 HydrophobicContact CG2-CD2 3.74Å; I131-F178 HydrophobicContact CG2-CG 4.07Å; I131-E179 CarbonylContact O-C 3.57Å; I131-E179 VanDerWaalsContact O-CA 3.28Å; I131-E179 WeakPolarHBondContact O-CA 3.38Å; I131-E179 PolarHBondContact O-N 3.24Å; I131-E180 PolarHBondContact N-O 3.29Å; I131-E180 PolarHBondContact O-N 3.4Å; I131-E180 VanDerWaalsContact O-N 3.12Å; I131-L182 HydrophobicContact CG1-CD1 4.04Å; I131-L182 HydrophobicContact CG1-CG 4.31Å; I131-V198 HydrophobicContact CD1-CG1 4.11Å |
| 132 | K | 98.1 | Very high | 94.5 | Very high | 68 Ų | 68 | 45.2 Ų | 45.2 | 30% | 0.296 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -73.4 | -178.3 | -66 | -58.8 | -167.1 | 177 | 0 | 111.1 | E115 C130 F178 E179 A232 | E115-K132 HydrophobicContact CB-CB 4.13Å; E115-K132 HydrophobicContact CG-CB 4.1Å; E115-K132 HydrophobicContact CG-CG 4.43Å; E115-K132 WeakPolarHBondContact O-CB 3.37Å; E115-K132 PolarHBondContact O-N 2.85Å; E115-K132 WeakPolarHBondContact OE2-CB 3.11Å; C130-K132 PolarHBondContact O-N 2.97Å; K132-F178 PolarHBondContact O-N 2.79Å; K132-E179 PolarHBondContact O-N 3.17Å; K132-A232 HydrophobicContact CG-CB 4.02Å |
| 133 | T | 98.4 | Very high | 94.6 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 15% | 0.153 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 163.5 | -174.8 | -170.6 | 0 | 0 | 0 | 0 | 111 | E115 P176 W234 | E115-T133 HydrophobicContact CB-CG2 4.1Å; E115-T133 PolarHBondContact N-O 3.17Å; E115-T133 PolarHBondContact O-N 2.87Å; T133-P176 CarbonylContact C-O 3.51Å; T133-P176 WeakPolarHBondContact CA-O 3.42Å; T133-P176 PolarHBondContact OG1-O 3.14Å; T133-P176 VanDerWaalsContact OG1-O 3.07Å; T133-W234 HydrophobicContact CG2-CH2 3.58Å; T133-W234 HydrophobicContact CG2-CZ2 3.8Å |
| 134 | C | 98.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 168.2 | 158.8 | -53 | 0 | 0 | 0 | 0 | 110.2 | E113 L137 D175 P176 | E113-C134 CarbonylContact O-C 3.18Å; E113-C134 VanDerWaalsContact O-CA 3.23Å; E113-C134 WeakPolarHBondContact O-CA 3.32Å; E113-C134 WeakPolarHBondContact O-CB 3.47Å; C134-L137 HydrophobicContact CB-CD1 3.85Å; C134-L137 HydrophobicContact CB-CD2 3.87Å; C134-L137 HydrophobicContact CB-CG 3.86Å; C134-D175 CarbonylContact O-C 3.58Å; C134-D175 WeakPolarHBondContact O-CA 3.37Å; C134-P176 HydrophobicContact CB-CG 3.79Å; C134-P176 PolarHBondContact N-O 3.23Å |
| 135 | K | 98 | Very high | 94.9 | Very high | 60 Ų | 60 | 51.2 Ų | 51.2 | 26% | 0.261 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 155.1 | 169.2 | 71.1 | -168.8 | 168.9 | -177.7 | 0 | 111.7 | G112 E113 L137 D175 W234 | G112-K135 WeakPolarHBondContact CA-O 3.34Å; E113-K135 HydrophobicContact CB-CG 4.4Å; E113-K135 PolarHBondContact N-O 2.93Å; E113-K135 PolarHBondContact O-N 2.82Å; E113-K135 WeakPolarHBondContact OE2-CE 3.44Å; E113-K135 IonicContact OE2-NZ 2.75Å; E113-K135 PolarHBondContact OE2-NZ 2.9Å; K135-L137 PolarHBondContact O-N 3.49Å; K135-D175 WeakPolarHBondContact CA-OD1 3.43Å; K135-D175 WeakPolarHBondContact CB-OD1 3.3Å; K135-W234 HydrophobicContact CB-CH2 4.01Å; K135-W234 HydrophobicContact CB-CZ3 4.11Å; K135-W234 HydrophobicContact CD-CE3 4.08Å; K135-W234 HydrophobicContact CD-CH2 3.53Å; K135-W234 HydrophobicContact CD-CZ2 4.11Å; K135-W234 HydrophobicContact CD-CZ3 3.54Å; K135-W234 HydrophobicContact CG-CE3 4.34Å; K135-W234 HydrophobicContact CG-CH2 3.78Å; K135-W234 HydrophobicContact CG-CZ3 3.53Å |
| 136 | N | 97.4 | Very high | 95.1 | Very high | 106 Ų | 106 | 53.1 Ų | 53.1 | 57% | 0.567 | 24% | 0.241 | S | C | * | . | S | Bend | trans | 54.6 | 32.6 | 175.6 | -62.4 | -41.1 | 0 | 0 | 0 | 114.7 | T111 G112 D175 | T111-N136 CarbonylContact C-O 3.53Å; T111-N136 WeakPolarHBondContact CB-O 3.25Å; T111-N136 PolarHBondContact OG1-O 2.78Å; G112-N136 VanDerWaalsContact CA-O 3.25Å; G112-N136 WeakPolarHBondContact CA-O 3.34Å; G112-N136 PolarHBondContact N-O 2.87Å; N136-D175 PolarHBondContact N-OD1 2.65Å |
| 137 | L | 97.8 | Very high | 95.3 | Very high | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 154.8 | 177.7 | -64.8 | -179.9 | 0 | 0 | 0 | 112.3 | C134 K135 P149 L174 P176 V200 L237 | C134-L137 HydrophobicContact CB-CD1 3.85Å; C134-L137 HydrophobicContact CB-CD2 3.87Å; C134-L137 HydrophobicContact CB-CG 3.86Å; K135-L137 PolarHBondContact O-N 3.49Å; L137-P149 HydrophobicContact CD1-CB 3.63Å; L137-P149 HydrophobicContact CD1-CG 4.06Å; L137-L174 HydrophobicContact CB-CB 4.44Å; L137-L174 VanDerWaalsContact CB-O 3.29Å; L137-L174 WeakPolarHBondContact CB-O 3.31Å; L137-L174 VanDerWaalsContact CG-O 3.23Å; L137-L174 WeakPolarHBondContact CG-O 3.35Å; L137-L174 PolarHBondContact N-O 2.68Å; L137-L174 VanDerWaalsContact N-O 3.11Å; L137-L174 WeakPolarHBondContact O-CD2 3.19Å; L137-P176 HydrophobicContact CD1-CG 3.74Å; L137-V200 HydrophobicContact CD1-CG1 3.95Å; L137-V200 HydrophobicContact CD2-CG1 4.07Å; L137-L237 HydrophobicContact CD2-CD1 3.3Å |
| 138 | A | 95.7 | Very high | 95.4 | Very high | 12 Ų | 12 | 54.7 Ų | 54.7 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 157.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A108 N109 T111 G140 C147 L212 | A108-A138 HydrophobicContact CB-CB 3.98Å; N109-A138 WeakPolarHBondContact O-CB 3.35Å; T111-A138 PolarHBondContact OG1-N 2.93Å; T111-A138 VanDerWaalsContact OG1-N 3.12Å; A138-G140 PolarHBondContact O-N 2.9Å; A138-C147 PolarHBondContact O-SG 3.43Å; A138-L212 HydrophobicContact CB-CD2 4.45Å |
| 139 | Y | 95.2 | Very high | 95.6 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 21% | 0.208 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 126.2 | 169.3 | -60 | -75 | 0 | 0 | 0 | 110.5 | E141 R145 L174 | Y139-E141 VanDerWaalsContact C-N 3.31Å; Y139-R145 HydrophobicContact CD1-CB 4.05Å; Y139-R145 WeakPolarHBondContact CD1-O 3.32Å; Y139-R145 HydrophobicContact CE1-CB 3.72Å; Y139-R145 HydrophobicContact CE1-CG 4.43Å; Y139-R145 VanDerWaalsContact CE1-O 3.23Å; Y139-R145 WeakPolarHBondContact CE1-O 3.44Å; Y139-R145 HydrophobicContact CE2-CB 4.43Å; Y139-R145 HydrophobicContact CE2-CG 4.25Å; Y139-R145 PolarHBondContact OH-NE 2.77Å; Y139-R145 PolarHBondContact OH-NH2 3.01Å; Y139-L174 HydrophobicContact CD1-CD2 3.76Å; Y139-L174 HydrophobicContact CE1-CD1 3.97Å; Y139-L174 HydrophobicContact CE1-CD2 3.81Å; Y139-L174 HydrophobicContact CE1-CG 4.22Å; Y139-L174 HydrophobicContact CE2-CD1 4.4Å; Y139-L174 HydrophobicContact CG-CD2 4.41Å |
| 140 | G | 92.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 53.8 Ų | 53.8 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -15.7 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | A138 K146 V210 | A138-G140 PolarHBondContact O-N 2.9Å; G140-K146 PolarHBondContact N-O 3.26Å; G140-V210 WeakPolarHBondContact O-CG2 3.43Å |
| 141 | E | 91.6 | Very high | 95.8 | Very high | 19 Ų | 19 | 53.1 Ų | 53.1 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -130.9 | 76.5 | 168.7 | -75.9 | -177 | -137.9 | 0 | 0 | 110 | Y139 K143 K144 R145 K146 H202 G204 T205 | Y139-E141 VanDerWaalsContact C-N 3.31Å; E141-K143 PolarHBondContact O-N 2.89Å; E141-K144 HydrophobicContact CB-CB 4.43Å; E141-K144 CarbonylContact O-C 3.52Å; E141-K144 PolarHBondContact O-N 3.15Å; E141-K144 WeakPolarHBondContact OE2-CD 3.39Å; E141-K144 WeakPolarHBondContact OE2-CE 3.47Å; E141-K144 IonicContact OE2-NZ 3.74Å; E141-K144 PolarHBondContact OE2-NZ 2.88Å; E141-R145 PolarHBondContact O-N 2.97Å; E141-K146 HydrophobicContact CB-CB 4.41Å; E141-K146 PolarHBondContact N-O 3.41Å; E141-K146 PolarHBondContact O-N 3.25Å; E141-H202 IonicContact OE1-NE2 3.21Å; E141-H202 PolarHBondContact OE1-NE2 2.85Å; E141-G204 WeakPolarHBondContact OE1-CA 3.45Å; E141-T205 PolarHBondContact OE1-N 2.91Å |
| 142 | E | 89.1 | Confident | 95.7 | Very high | 124 Ų | 124 | 53.9 Ų | 53.9 | 58% | 0.579 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -45.4 | -52.7 | -177.4 | -168.6 | 59.6 | -144.8 | 0 | 0 | 113.2 | K144 R145 | E142-K144 PolarHBondContact O-N 3.16Å; E142-R145 PolarHBondContact O-N 2.83Å |
| 143 | K | 90.9 | Very high | 95.7 | Very high | 218 Ų | 218 | 50.6 Ų | 50.6 | 95% | 0.948 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -58.3 | -19 | 179.4 | -65.9 | -171.5 | 178.3 | -176.1 | 0 | 114.8 | E141 | E141-K143 PolarHBondContact O-N 2.89Š|
| 144 | K | 92.3 | Very high | 95.6 | Very high | 108 Ų | 108 | 50.9 Ų | 50.9 | 47% | 0.47 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -111.4 | -2.6 | 176.9 | -55.4 | -174.1 | -161.4 | 153.1 | 0 | 112.4 | E141 E142 K146 | E141-K144 HydrophobicContact CB-CB 4.43Å; E141-K144 CarbonylContact O-C 3.52Å; E141-K144 PolarHBondContact O-N 3.15Å; E141-K144 WeakPolarHBondContact OE2-CD 3.39Å; E141-K144 WeakPolarHBondContact OE2-CE 3.47Å; E141-K144 IonicContact OE2-NZ 3.74Å; E141-K144 PolarHBondContact OE2-NZ 2.88Å; E142-K144 PolarHBondContact O-N 3.16Å; K144-K146 HydrophobicContact CB-CB 4.5Å; K144-K146 HydrophobicContact CB-CD 4.36Å; K144-K146 HydrophobicContact CB-CG 3.93Å; K144-K146 WeakPolarHBondContact O-CG 3.44Å; K144-K146 PolarHBondContact O-N 2.91Å |
| 145 | R | 93.8 | Very high | 95.4 | Very high | 168 Ų | 168 | 51.5 Ų | 51.5 | 63% | 0.634 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 46.6 | -168.5 | -66.6 | -176 | 62.4 | 166.4 | -3.5 | 112.8 | Y139 E141 E142 | Y139-R145 HydrophobicContact CD1-CB 4.05Å; Y139-R145 WeakPolarHBondContact CD1-O 3.32Å; Y139-R145 HydrophobicContact CE1-CB 3.72Å; Y139-R145 HydrophobicContact CE1-CG 4.43Å; Y139-R145 VanDerWaalsContact CE1-O 3.23Å; Y139-R145 WeakPolarHBondContact CE1-O 3.44Å; Y139-R145 HydrophobicContact CE2-CB 4.43Å; Y139-R145 HydrophobicContact CE2-CG 4.25Å; Y139-R145 PolarHBondContact OH-NE 2.77Å; Y139-R145 PolarHBondContact OH-NH2 3.01Å; E141-R145 PolarHBondContact O-N 2.97Å; E142-R145 PolarHBondContact O-N 2.83Å |
| 146 | K | 94.6 | Very high | 95 | Very high | 95 Ų | 95 | 49 Ų | 49 | 41% | 0.413 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -111.2 | 137.9 | 178.9 | -62.4 | -162.7 | 175.2 | -172.8 | 0 | 112.4 | G140 E141 K144 H202 | G140-K146 PolarHBondContact N-O 3.26Å; E141-K146 HydrophobicContact CB-CB 4.41Å; E141-K146 PolarHBondContact N-O 3.41Å; E141-K146 PolarHBondContact O-N 3.25Å; K144-K146 HydrophobicContact CB-CB 4.5Å; K144-K146 HydrophobicContact CB-CD 4.36Å; K144-K146 HydrophobicContact CB-CG 3.93Å; K144-K146 WeakPolarHBondContact O-CG 3.44Å; K144-K146 PolarHBondContact O-N 2.91Å; K146-H202 PolarHBondContact O-CE1 3.29Å |
| 147 | C | 96.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | trans | -134.4 | 125.2 | 165 | -156.6 | 0 | 0 | 0 | 0 | 111 | A138 P149 N172 T173 L174 H202 L212 | A138-C147 PolarHBondContact O-SG 3.43Å; C147-P149 VanDerWaalsContact C-CD 3.44Å; C147-P149 WeakPolarHBondContact O-CD 3.15Å; C147-N172 CarbonylContact O-C 3.46Å; C147-N172 WeakPolarHBondContact O-CA 3.43Å; C147-N172 PolarHBondContact O-N 3.22Å; C147-T173 WeakPolarHBondContact CB-O 3.44Å; C147-T173 PolarHBondContact O-N 3.21Å; C147-L174 HydrophobicContact CB-CD2 3.57Å; C147-H202 WeakPolarHBondContact CA-ND1 3.33Å; C147-L212 WeakPolarHBondContact SG-CD1 3.34Å | ||
| 148 | N | 97.5 | Very high | 94 | Very high | 35 Ų | 35 | 46 Ų | 46 | 19% | 0.187 | 21% | 0.206 | C | C | . | . | trans | -116.2 | 78.6 | 171.2 | -54.3 | -49.6 | 0 | 0 | 0 | 108.1 | V169 Q170 N172 H202 L203 | N148-V169 HydrophobicContact CB-CG1 3.89Å; N148-Q170 CarbonylContact C-O 3.58Å; N148-Q170 WeakPolarHBondContact CA-O 3.43Å; N148-Q170 WeakPolarHBondContact CB-O 3.47Å; N148-N172 PolarHBondContact OD1-N 3.21Å; N148-H202 PolarHBondContact N-CE1 2.96Å; N148-H202 PolarHBondContact N-ND1 3.21Å; N148-L203 WeakPolarHBondContact CB-O 3.33Å; N148-L203 PolarHBondContact ND2-O 3.32Å; N148-L203 PolarHBondContact O-N 2.99Å | ||
| 149 | P | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 146.9 | -169.2 | 30.6 | -37.2 | 0 | 0 | 0 | 113.1 | L137 C147 Q170 T173 P176 F178 V200 W201 L212 | L137-P149 HydrophobicContact CD1-CB 3.63Å; L137-P149 HydrophobicContact CD1-CG 4.06Å; C147-P149 VanDerWaalsContact C-CD 3.44Å; C147-P149 WeakPolarHBondContact O-CD 3.15Å; P149-Q170 WeakPolarHBondContact CD-O 3.26Å; P149-Q170 HydrophobicContact CG-CB 4.37Å; P149-Q170 PolarHBondContact O-N 2.98Å; P149-T173 WeakPolarHBondContact CD-O 3.41Å; P149-T173 HydrophobicContact CG-CG2 4.16Å; P149-P176 HydrophobicContact CB-CB 4.44Å; P149-P176 HydrophobicContact CB-CG 3.97Å; P149-P176 HydrophobicContact CG-CB 3.55Å; P149-P176 HydrophobicContact CG-CG 3.46Å; P149-P176 VanDerWaalsContact CG-CG 3.46Å; P149-F178 HydrophobicContact CB-CZ 4.41Å; P149-V200 HydrophobicContact CB-CG1 4.41Å; P149-W201 CarbonylContact C-O 3.41Å; P149-W201 VanDerWaalsContact CA-O 3.3Å; P149-W201 WeakPolarHBondContact CA-O 3.01Å; P149-L212 HydrophobicContact CB-CD1 4.42Å |
| 150 | Y | 98.4 | Very high | 92.8 | Very high | 13 Ų | 13 | 48 Ų | 48 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 151.1 | 166.3 | 66.5 | -77.8 | 0 | 0 | 0 | 110.2 | K152 R168 V169 W201 L203 R209 | Y150-K152 HydrophobicContact CD2-CG 4.3Å; Y150-K152 HydrophobicContact CE2-CD 4.42Å; Y150-K152 HydrophobicContact CE2-CG 3.86Å; Y150-K152 PolarHBondContact OH-NZ 3.19Å; Y150-R168 VanDerWaalsContact CB-O 3.3Å; Y150-R168 WeakPolarHBondContact CB-O 3.32Å; Y150-V169 HydrophobicContact CD1-CG2 3.97Å; Y150-V169 HydrophobicContact CG-CG2 4.02Å; Y150-W201 HydrophobicContact CD1-CB 4.12Å; Y150-W201 WeakPolarHBondContact CD1-O 3.19Å; Y150-W201 HydrophobicContact CD2-CB 4.49Å; Y150-W201 HydrophobicContact CE1-CB 3.59Å; Y150-W201 WeakPolarHBondContact CE1-O 3.25Å; Y150-W201 HydrophobicContact CE2-CB 4.02Å; Y150-W201 HydrophobicContact CE2-CG 4.46Å; Y150-W201 PolarHBondContact N-O 3.43Å; Y150-W201 PolarHBondContact O-N 2.88Å; Y150-L203 HydrophobicContact CD1-CB 4.18Å; Y150-L203 HydrophobicContact CE1-CB 3.9Å; Y150-R209 WeakPolarHBondContact OH-CD 3.43Å |
| 151 | V | 98.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 140.9 | 177.6 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | I114 I131 T153 K166 T167 F178 V198 S199 V200 | I114-V151 HydrophobicContact CD1-CG1 4.13Å; I114-V151 HydrophobicContact CD1-CG2 3.77Å; I131-V151 HydrophobicContact CD1-CG1 4.07Å; I131-V151 HydrophobicContact CG1-CG1 4.42Å; I131-V151 HydrophobicContact CG2-CB 4.38Å; I131-V151 HydrophobicContact CG2-CG2 3.84Å; V151-T153 HydrophobicContact CG1-CG2 4.4Å; V151-K166 CarbonylContact O-C 3.52Å; V151-K166 WeakPolarHBondContact O-CA 3.45Å; V151-K166 WeakPolarHBondContact O-CB 3.28Å; V151-T167 HydrophobicContact CB-CG2 3.94Å; V151-T167 HydrophobicContact CG2-CG2 4.45Å; V151-T167 PolarHBondContact N-OG1 2.95Å; V151-T167 PolarHBondContact O-N 2.67Å; V151-F178 HydrophobicContact CG2-CD2 4.25Å; V151-F178 HydrophobicContact CG2-CE2 3.79Å; V151-F178 HydrophobicContact CG2-CZ 4.08Å; V151-V198 HydrophobicContact CG1-CG1 3.57Å; V151-S199 CarbonylContact C-O 3.57Å; V151-S199 WeakPolarHBondContact CA-O 3.33Å; V151-V200 HydrophobicContact CG2-CG2 4.4Å |
| 152 | K | 97.7 | Very high | 91.8 | Very high | 15 Ų | 15 | 54.1 Ų | 54.1 | 7% | 0.065 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 144.2 | 161.1 | -60.8 | -175.6 | -169.9 | 73.4 | 0 | 109 | Y150 K164 R165 S199 W201 | Y150-K152 HydrophobicContact CD2-CG 4.3Å; Y150-K152 HydrophobicContact CE2-CD 4.42Å; Y150-K152 HydrophobicContact CE2-CG 3.86Å; Y150-K152 PolarHBondContact OH-NZ 3.19Å; K152-K164 HydrophobicContact CD-CD 4.03Å; K152-K164 HydrophobicContact CG-CD 4.46Å; K152-R165 WeakPolarHBondContact CA-O 3.31Å; K152-S199 PolarHBondContact N-O 2.96Å; K152-S199 PolarHBondContact O-N 3.24Å; K152-S199 PolarHBondContact O-OG 3.28Å; K152-W201 HydrophobicContact CD-CZ2 4.5Å |
| 153 | T | 97.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 151.5 | 166.1 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | V151 K164 R165 L182 Y184 Q197 V198 | V151-T153 HydrophobicContact CG1-CG2 4.4Å; T153-K164 WeakPolarHBondContact O-CA 2.97Å; T153-R165 PolarHBondContact N-O 2.9Å; T153-R165 PolarHBondContact O-N 2.86Å; T153-R165 WeakPolarHBondContact OG1-CB 3.32Å; T153-L182 HydrophobicContact CG2-CD1 3.89Å; T153-Y184 WeakPolarHBondContact CB-OH 3.37Å; T153-Y184 PolarHBondContact O-OH 2.9Å; T153-Y184 PolarHBondContact OG1-OH 3.34Å; T153-Q197 CarbonylContact C-O 3.46Å; T153-Q197 WeakPolarHBondContact CA-O 3.45Å; T153-V198 HydrophobicContact CG2-CB 4.32Å; T153-V198 HydrophobicContact CG2-CG1 4.07Å; T153-V198 HydrophobicContact CG2-CG2 4.04Å |
| 154 | Y | 95.7 | Very high | 91.7 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.2 | 166.7 | -65.8 | -81.8 | 0 | 0 | 0 | 109.8 | D158 R159 K164 Y184 Q197 | Y154-D158 WeakPolarHBondContact CD1-O 3.44Å; Y154-R159 WeakPolarHBondContact CE1-O 3.19Å; Y154-K164 HydrophobicContact CD1-CB 4.05Å; Y154-K164 HydrophobicContact CE1-CB 3.51Å; Y154-K164 HydrophobicContact CE1-CD 4.38Å; Y154-K164 HydrophobicContact CE1-CG 4.03Å; Y154-Y184 WeakPolarHBondContact CA-OH 3.36Å; Y154-Y184 PolarHBondContact N-OH 2.83Å; Y154-Q197 PolarHBondContact N-O 3.02Å; Y154-Q197 PolarHBondContact O-N 3.38Å |
| 155 | L | 94.1 | Very high | 91.9 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 89.7 | 170.2 | -173.7 | 65.6 | 0 | 0 | 0 | 107.6 | L127 D158 Y184 V186 R194 L219 | L127-L155 HydrophobicContact CD2-CD1 3.97Å; L155-D158 PolarHBondContact O-N 2.92Å; L155-Y184 HydrophobicContact CB-CD1 3.68Å; L155-Y184 HydrophobicContact CB-CE1 3.6Å; L155-Y184 HydrophobicContact CB-CG 4.44Å; L155-Y184 HydrophobicContact CD2-CD1 4.12Å; L155-Y184 HydrophobicContact CD2-CG 4.44Å; L155-V186 HydrophobicContact CD2-CB 4.1Å; L155-V186 HydrophobicContact CD2-CG1 4.22Å; L155-V186 HydrophobicContact CD2-CG2 4.04Å; L155-R194 HydrophobicContact CD1-CB 3.67Å; L155-R194 HydrophobicContact CD1-CG 4.25Å; L155-R194 HydrophobicContact CD2-CG 4.37Å; L155-R194 HydrophobicContact CG-CB 4.02Å; L155-R194 HydrophobicContact CG-CG 4.11Å; L155-L219 HydrophobicContact CD1-CD1 3.57Å |
| 156 | L | 91 | Very high | 92.1 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 137.4 | -174.5 | -62.4 | -178.6 | 0 | 0 | 0 | 110.5 | R159 R194 R195 Q197 | L156-R159 HydrophobicContact CD2-CG 3.39Å; L156-R194 WeakPolarHBondContact O-CA 3.4Å; L156-R194 WeakPolarHBondContact O-CD 3.22Å; L156-R195 HydrophobicContact CB-CB 4.22Å; L156-R195 WeakPolarHBondContact CB-O 3.29Å; L156-R195 HydrophobicContact CD1-CB 4.44Å; L156-R195 PolarHBondContact N-O 2.76Å; L156-R195 PolarHBondContact O-N 3.06Å; L156-Q197 HydrophobicContact CD1-CB 4.05Å; L156-Q197 HydrophobicContact CG-CB 4.1Å |
| 157 | P | 87.8 | Confident | 92.3 | Very high | 27 Ų | 27 | 32 Ų | 32 | 18% | 0.175 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.1 | -4.6 | 16.4 | 30.6 | -33.7 | 0 | 0 | 0 | 117.1 | R159 N252 | P157-R159 PolarHBondContact O-N 3.49Å; P157-N252 WeakPolarHBondContact CB-OD1 2.99Å; P157-N252 WeakPolarHBondContact CG-OD1 3.3Å |
| 158 | D | 85.2 | Confident | 92.3 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 11% | 0.112 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 89.8 | -176 | -173 | 7.2 | 0 | 0 | 0 | 113.6 | Y154 L155 S160 G163 P295 R367 | Y154-D158 WeakPolarHBondContact CD1-O 3.44Å; L155-D158 PolarHBondContact O-N 2.92Å; D158-S160 VanDerWaalsContact C-N 3.33Å; D158-S160 WeakPolarHBondContact OD1-CA 3.5Å; D158-S160 WeakPolarHBondContact OD1-CB 3.37Å; D158-S160 PolarHBondContact OD1-N 2.9Å; D158-S160 PolarHBondContact OD1-OG 2.92Å; D158-S160 PolarHBondContact OD2-OG 3.42Å; D158-G163 VanDerWaalsContact OD2-CA 3.26Å; D158-G163 WeakPolarHBondContact OD2-CA 3.41Å; D158-P295 HydrophobicContact CB-CB 4.13Å; D158-R367 VanDerWaalsContact CG-NH1 3.29Å; D158-R367 IonicContact OD1-NH1 2.9Å; D158-R367 PolarHBondContact OD1-NH1 3.07Å; D158-R367 IonicContact OD2-CZ 2.78Å; D158-R367 IonicContact OD2-NH1 2.76Å; D158-R367 PolarHBondContact OD2-NH1 2.85Å; D158-R367 IonicContact OD2-NH2 2.72Å |
| 159 | R | 86 | Confident | 92.4 | Very high | 80 Ų | 80 | 41.8 Ų | 41.8 | 30% | 0.302 | 20% | 0.196 | S | C | . | . | trans | -87.6 | 9.7 | 169.9 | -61.4 | -163.8 | -173.4 | 166.8 | 6.7 | 114.2 | E101 Y154 L156 P157 E245 | E101-R159 IonicContact OE1-NH1 3.61Å; E101-R159 WeakPolarHBondContact OE2-CD 3.29Å; E101-R159 IonicContact OE2-CZ 2.76Å; E101-R159 IonicContact OE2-NE 2.65Å; E101-R159 IonicContact OE2-NH1 3.8Å; E101-R159 PolarHBondContact OE2-NH1 2.72Å; Y154-R159 WeakPolarHBondContact CE1-O 3.19Å; L156-R159 HydrophobicContact CD2-CG 3.39Å; P157-R159 PolarHBondContact O-N 3.49Å; R159-E245 IonicContact NH2-OE2 3.26Å; R159-E245 PolarHBondContact NH2-OE2 2.92Å | ||
| 160 | S | 80.7 | Confident | 92.4 | Very high | 27 Ų | 27 | 45.3 Ų | 45.3 | 19% | 0.189 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -67.7 | 167.1 | -176.9 | 74 | 0 | 0 | 0 | 0 | 113.2 | D158 Q162 G163 K164 R367 | D158-S160 VanDerWaalsContact C-N 3.33Å; D158-S160 WeakPolarHBondContact OD1-CA 3.5Å; D158-S160 WeakPolarHBondContact OD1-CB 3.37Å; D158-S160 PolarHBondContact OD1-N 2.9Å; D158-S160 PolarHBondContact OD1-OG 2.92Å; D158-S160 PolarHBondContact OD2-OG 3.42Å; S160-Q162 PolarHBondContact O-N 2.88Å; S160-G163 PolarHBondContact O-N 3.19Å; S160-G163 PolarHBondContact OG-N 3.25Å; S160-K164 PolarHBondContact O-N 2.81Å; S160-R367 PolarHBondContact OG-NH1 2.88Å |
| 161 | S | 81.6 | Confident | 92.3 | Very high | 70 Ų | 70 | 53 Ų | 53 | 49% | 0.49 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -32.9 | 176.1 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | K164 | S161-K164 PolarHBondContact O-NZ 2.97Å; S161-K164 VanDerWaalsContact O-NZ 3.15Å |
| 162 | Q | 80.3 | Confident | 92.2 | Very high | 84 Ų | 84 | 57.7 Ų | 57.7 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -32.2 | -179 | -53.1 | -62.1 | -6.2 | 0 | 0 | 113.5 | S160 K164 R165 | S160-Q162 PolarHBondContact O-N 2.88Å; Q162-K164 VanDerWaalsContact C-N 3.33Å; Q162-R165 PolarHBondContact O-NH1 3.44Å |
| 163 | G | 84.8 | Confident | 92.2 | Very high | 4 Ų | 4 | 59 Ų | 59 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -35.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D158 S160 R165 Y184 | D158-G163 VanDerWaalsContact OD2-CA 3.26Å; D158-G163 WeakPolarHBondContact OD2-CA 3.41Å; S160-G163 PolarHBondContact O-N 3.19Å; S160-G163 PolarHBondContact OG-N 3.25Å; G163-R165 PolarHBondContact O-NH1 2.96Å; G163-R165 VanDerWaalsContact O-NH1 3.15Å; G163-Y184 WeakPolarHBondContact O-CE1 3.5Å |
| 164 | K | 93.5 | Very high | 92.2 | Very high | 65 Ų | 65 | 60.9 Ų | 60.9 | 28% | 0.283 | 29% | 0.29 | S | S | . | . | trans | -53.8 | 140.7 | 179.8 | -175.2 | 170.1 | 53.6 | -78.4 | 0 | 114.2 | K152 T153 Y154 S160 S161 Q162 | K152-K164 HydrophobicContact CD-CD 4.03Å; K152-K164 HydrophobicContact CG-CD 4.46Å; T153-K164 WeakPolarHBondContact O-CA 2.97Å; Y154-K164 HydrophobicContact CD1-CB 4.05Å; Y154-K164 HydrophobicContact CE1-CB 3.51Å; Y154-K164 HydrophobicContact CE1-CD 4.38Å; Y154-K164 HydrophobicContact CE1-CG 4.03Å; S160-K164 PolarHBondContact O-N 2.81Å; S161-K164 PolarHBondContact O-NZ 2.97Å; S161-K164 VanDerWaalsContact O-NZ 3.15Å; Q162-K164 VanDerWaalsContact C-N 3.33Å | ||
| 165 | R | 96.4 | Very high | 92.4 | Very high | 44 Ų | 44 | 63.3 Ų | 63.3 | 17% | 0.166 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 163.4 | 152.1 | -54.4 | -66.4 | 174.4 | -83.4 | -17.5 | 110.2 | K152 T153 Q162 G163 L182 K183 Y184 S298 | K152-R165 WeakPolarHBondContact CA-O 3.31Å; T153-R165 PolarHBondContact N-O 2.9Å; T153-R165 PolarHBondContact O-N 2.86Å; T153-R165 WeakPolarHBondContact OG1-CB 3.32Å; Q162-R165 PolarHBondContact O-NH1 3.44Å; G163-R165 PolarHBondContact O-NH1 2.96Å; G163-R165 VanDerWaalsContact O-NH1 3.15Å; R165-L182 HydrophobicContact CB-CB 3.89Å; R165-L182 HydrophobicContact CB-CD1 4.01Å; R165-L182 HydrophobicContact CB-CD2 4.26Å; R165-L182 HydrophobicContact CB-CG 4.27Å; R165-L182 HydrophobicContact CG-CB 4.29Å; R165-K183 PolarHBondContact NE-O 3.14Å; R165-K183 PolarHBondContact NH2-O 3.38Å; R165-Y184 HydrophobicContact CB-CE2 4.5Å; R165-Y184 HydrophobicContact CG-CD2 4.43Å; R165-Y184 HydrophobicContact CG-CE1 4.37Å; R165-Y184 HydrophobicContact CG-CE2 3.77Å; R165-S298 VanDerWaalsContact NH2-CA 3.34Å; R165-S298 VanDerWaalsContact NH2-CB 3.3Å |
| 166 | K | 97.4 | Very high | 92.6 | Very high | 133 Ų | 133 | 62.7 Ų | 62.7 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -150 | 153.8 | 174.2 | 59.3 | 156.8 | -169.2 | 165.1 | 0 | 110.8 | V151 L182 | V151-K166 CarbonylContact O-C 3.52Å; V151-K166 WeakPolarHBondContact O-CA 3.45Å; V151-K166 WeakPolarHBondContact O-CB 3.28Å; K166-L182 WeakPolarHBondContact O-CD2 3.38Å |
| 167 | T | 98.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | trans | -78.6 | 178.4 | 165.9 | 61.8 | 0 | 0 | 0 | 0 | 111.2 | I131 V151 F178 E180 L182 | I131-T167 HydrophobicContact CB-CG2 4.19Å; I131-T167 HydrophobicContact CG1-CG2 4.14Å; I131-T167 HydrophobicContact CG2-CG2 4.2Å; V151-T167 HydrophobicContact CB-CG2 3.94Å; V151-T167 HydrophobicContact CG2-CG2 4.45Å; V151-T167 PolarHBondContact N-OG1 2.95Å; V151-T167 PolarHBondContact O-N 2.67Å; T167-F178 HydrophobicContact CG2-CB 4.41Å; T167-F178 HydrophobicContact CG2-CD1 4.12Å; T167-F178 HydrophobicContact CG2-CG 4.28Å; T167-E180 WeakPolarHBondContact CA-OE2 3.45Å; T167-E180 WeakPolarHBondContact CB-OE1 3.42Å; T167-E180 HydrophobicContact CG2-CB 4.03Å; T167-L182 HydrophobicContact CG2-CD1 4.29Å | ||
| 168 | R | 98.1 | Very high | 93.4 | Very high | 191 Ų | 191 | 65.5 Ų | 65.5 | 72% | 0.721 | 32% | 0.318 | S | S | * | . | trans | -63.8 | 167.7 | 155.8 | -62.1 | 169 | -174.3 | -93.9 | -1 | 110.4 | Y150 E180 | Y150-R168 VanDerWaalsContact CB-O 3.3Å; Y150-R168 WeakPolarHBondContact CB-O 3.32Å; R168-E180 VanDerWaalsContact CB-OE1 3.24Å; R168-E180 WeakPolarHBondContact CB-OE1 3.24Å; R168-E180 WeakPolarHBondContact CG-OE1 3.39Å; R168-E180 VanDerWaalsContact N-CD 3.32Å; R168-E180 PolarHBondContact N-OE1 3.37Å; R168-E180 PolarHBondContact N-OE2 3.3Å; R168-E180 VanDerWaalsContact N-OE2 3.08Å | ||
| 169 | V | 98.1 | Very high | 94 | Very high | 50 Ų | 50 | 71.3 Ų | 71.3 | 30% | 0.303 | 35% | 0.345 | S | S | . | . | trans | -100.5 | 114.5 | 177.7 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | N148 Y150 L203 | N148-V169 HydrophobicContact CB-CG1 3.89Å; Y150-V169 HydrophobicContact CD1-CG2 3.97Å; Y150-V169 HydrophobicContact CG-CG2 4.02Å; V169-L203 HydrophobicContact CG1-CB 4.07Å; V169-L203 HydrophobicContact CG1-CD2 4.37Å; V169-L203 HydrophobicContact CG2-CB 4.49Å; V169-L203 HydrophobicContact CG2-CD2 3.98Å | ||
| 170 | Q | 98.3 | Very high | 94.6 | Very high | 73 Ų | 73 | 69.5 Ų | 69.5 | 34% | 0.341 | 34% | 0.339 | S | S | . | . | trans | -76.3 | 150.2 | 167.4 | -65.9 | -61.3 | 5.4 | 0 | 0 | 109.9 | N148 P149 T173 P176 T177 F178 | N148-Q170 CarbonylContact C-O 3.58Å; N148-Q170 WeakPolarHBondContact CA-O 3.43Å; N148-Q170 WeakPolarHBondContact CB-O 3.47Å; P149-Q170 WeakPolarHBondContact CD-O 3.26Å; P149-Q170 HydrophobicContact CG-CB 4.37Å; P149-Q170 PolarHBondContact O-N 2.98Å; Q170-T173 HydrophobicContact CB-CG2 4.02Å; Q170-P176 HydrophobicContact CB-CB 3.88Å; Q170-P176 HydrophobicContact CG-CB 3.93Å; Q170-T177 WeakPolarHBondContact CG-O 3.2Å; Q170-T177 PolarHBondContact NE2-O 3.34Å; Q170-F178 HydrophobicContact CB-CE1 4.44Å; Q170-F178 HydrophobicContact CG-CD1 4.04Å; Q170-F178 HydrophobicContact CG-CE1 3.86Å | ||
| 171 | K | 97 | Very high | 95.3 | Very high | 174 Ų | 174 | 71.1 Ų | 71.1 | 76% | 0.757 | 35% | 0.348 | S | S | * | . | trans | -109.7 | 135.1 | -171.8 | -67.8 | 177.5 | -178.3 | 174.7 | 0 | 111.1 | T173 | K171-T173 PolarHBondContact O-N 3.22Š| ||
| 172 | N | 96.6 | Very high | 96.1 | Very high | 100 Ų | 100 | 68.4 Ų | 68.4 | 54% | 0.535 | 33% | 0.328 | S | S | . | . | S | Bend | trans | 46.9 | 49.1 | 170 | -154.1 | 90.7 | 0 | 0 | 0 | 115.3 | C147 N148 | C147-N172 CarbonylContact O-C 3.46Å; C147-N172 WeakPolarHBondContact O-CA 3.43Å; C147-N172 PolarHBondContact O-N 3.22Å; N148-N172 PolarHBondContact OD1-N 3.21Å |
| 173 | T | 98.1 | Very high | 96.8 | Very high | 43 Ų | 43 | 69.5 Ų | 69.5 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | trans | -141 | 147.8 | 178.3 | -180 | 0 | 0 | 0 | 0 | 111.6 | C147 P149 Q170 K171 D175 P176 | C147-T173 WeakPolarHBondContact CB-O 3.44Å; C147-T173 PolarHBondContact O-N 3.21Å; P149-T173 WeakPolarHBondContact CD-O 3.41Å; P149-T173 HydrophobicContact CG-CG2 4.16Å; Q170-T173 HydrophobicContact CB-CG2 4.02Å; K171-T173 PolarHBondContact O-N 3.22Å; T173-D175 PolarHBondContact OG1-N 2.98Å; T173-D175 PolarHBondContact OG1-O 3.23Å; T173-P176 HydrophobicContact CG2-CB 3.86Å | ||
| 174 | L | 98 | Very high | 97.3 | Very high | 38 Ų | 38 | 69.7 Ų | 69.7 | 20% | 0.199 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -96.2 | -10.3 | 169.6 | -54.2 | -173.4 | 0 | 0 | 0 | 112.4 | L137 Y139 C147 P176 | L137-L174 HydrophobicContact CB-CB 4.44Å; L137-L174 VanDerWaalsContact CB-O 3.29Å; L137-L174 WeakPolarHBondContact CB-O 3.31Å; L137-L174 VanDerWaalsContact CG-O 3.23Å; L137-L174 WeakPolarHBondContact CG-O 3.35Å; L137-L174 PolarHBondContact N-O 2.68Å; L137-L174 VanDerWaalsContact N-O 3.11Å; L137-L174 WeakPolarHBondContact O-CD2 3.19Å; Y139-L174 HydrophobicContact CD1-CD2 3.76Å; Y139-L174 HydrophobicContact CE1-CD1 3.97Å; Y139-L174 HydrophobicContact CE1-CD2 3.81Å; Y139-L174 HydrophobicContact CE1-CG 4.22Å; Y139-L174 HydrophobicContact CE2-CD1 4.4Å; Y139-L174 HydrophobicContact CG-CD2 4.41Å; C147-L174 HydrophobicContact CB-CD2 3.57Å; L174-P176 WeakPolarHBondContact O-CD 3.34Å |
| 175 | D | 98.3 | Very high | 97.2 | Very high | 81 Ų | 81 | 70 Ų | 70 | 43% | 0.433 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -128.5 | 65.9 | -173.1 | -49.8 | -81.6 | 0 | 0 | 0 | 109.2 | C134 K135 N136 T173 | C134-D175 CarbonylContact O-C 3.58Å; C134-D175 WeakPolarHBondContact O-CA 3.37Å; K135-D175 WeakPolarHBondContact CA-OD1 3.43Å; K135-D175 WeakPolarHBondContact CB-OD1 3.3Å; N136-D175 PolarHBondContact N-OD1 2.65Å; T173-D175 PolarHBondContact OG1-N 2.98Å; T173-D175 PolarHBondContact OG1-O 3.23Å |
| 176 | P | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.013 | 33% | 0.327 | C | S | . | . | trans | -80.3 | 117 | -173.7 | 32 | -39 | 0 | 0 | 0 | 113.6 | T133 C134 L137 P149 Q170 T173 L174 F178 | T133-P176 CarbonylContact C-O 3.51Å; T133-P176 WeakPolarHBondContact CA-O 3.42Å; T133-P176 PolarHBondContact OG1-O 3.14Å; T133-P176 VanDerWaalsContact OG1-O 3.07Å; C134-P176 HydrophobicContact CB-CG 3.79Å; C134-P176 PolarHBondContact N-O 3.23Å; L137-P176 HydrophobicContact CD1-CG 3.74Å; P149-P176 HydrophobicContact CB-CB 4.44Å; P149-P176 HydrophobicContact CB-CG 3.97Å; P149-P176 HydrophobicContact CG-CB 3.55Å; P149-P176 HydrophobicContact CG-CG 3.46Å; P149-P176 VanDerWaalsContact CG-CG 3.46Å; Q170-P176 HydrophobicContact CB-CB 3.88Å; Q170-P176 HydrophobicContact CG-CB 3.93Å; T173-P176 HydrophobicContact CG2-CB 3.86Å; L174-P176 WeakPolarHBondContact O-CD 3.34Å; P176-F178 HydrophobicContact CB-CD2 4.4Å; P176-F178 HydrophobicContact CB-CE1 4.37Å; P176-F178 HydrophobicContact CB-CE2 3.72Å; P176-F178 HydrophobicContact CB-CZ 3.7Å; P176-F178 HydrophobicContact CG-CD2 4.48Å; P176-F178 HydrophobicContact CG-CE2 3.55Å; P176-F178 HydrophobicContact CG-CZ 3.77Å; P176-F178 WeakPolarHBondContact O-CD2 3.46Å | ||
| 177 | T | 98.4 | Very high | 96.4 | Very high | 78 Ų | 78 | 66.1 Ų | 66.1 | 48% | 0.479 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 133.3 | 160.5 | -46.4 | 0 | 0 | 0 | 0 | 110.1 | Q170 E179 | Q170-T177 WeakPolarHBondContact CG-O 3.2Å; Q170-T177 PolarHBondContact NE2-O 3.34Å; T177-E179 HydrophobicContact CG2-CG 3.87Å |
| 178 | F | 98.2 | Very high | 95.9 | Very high | 15 Ų | 15 | 68.6 Ų | 68.6 | 7% | 0.066 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | -49.7 | 179.3 | -66.9 | -76.8 | 0 | 0 | 0 | 112.6 | I131 K132 P149 V151 T167 Q170 P176 E180 | I131-F178 HydrophobicContact CG2-CB 3.97Å; I131-F178 HydrophobicContact CG2-CD2 3.74Å; I131-F178 HydrophobicContact CG2-CG 4.07Å; K132-F178 PolarHBondContact O-N 2.79Å; P149-F178 HydrophobicContact CB-CZ 4.41Å; V151-F178 HydrophobicContact CG2-CD2 4.25Å; V151-F178 HydrophobicContact CG2-CE2 3.79Å; V151-F178 HydrophobicContact CG2-CZ 4.08Å; T167-F178 HydrophobicContact CG2-CB 4.41Å; T167-F178 HydrophobicContact CG2-CD1 4.12Å; T167-F178 HydrophobicContact CG2-CG 4.28Å; Q170-F178 HydrophobicContact CB-CE1 4.44Å; Q170-F178 HydrophobicContact CG-CD1 4.04Å; Q170-F178 HydrophobicContact CG-CE1 3.86Å; P176-F178 HydrophobicContact CB-CD2 4.4Å; P176-F178 HydrophobicContact CB-CE1 4.37Å; P176-F178 HydrophobicContact CB-CE2 3.72Å; P176-F178 HydrophobicContact CB-CZ 3.7Å; P176-F178 HydrophobicContact CG-CD2 4.48Å; P176-F178 HydrophobicContact CG-CE2 3.55Å; P176-F178 HydrophobicContact CG-CZ 3.77Å; P176-F178 WeakPolarHBondContact O-CD2 3.46Å; F178-E180 PolarHBondContact O-N 3.22Å |
| 179 | E | 97.1 | Very high | 95.3 | Very high | 143 Ų | 143 | 61.6 Ų | 61.6 | 67% | 0.668 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.5 | 31.6 | -175 | -59.9 | -173.4 | 135.2 | 0 | 0 | 114.6 | I131 K132 T177 | I131-E179 CarbonylContact O-C 3.57Å; I131-E179 VanDerWaalsContact O-CA 3.28Å; I131-E179 WeakPolarHBondContact O-CA 3.38Å; I131-E179 PolarHBondContact O-N 3.24Å; K132-E179 PolarHBondContact O-N 3.17Å; T177-E179 HydrophobicContact CG2-CG 3.87Å |
| 180 | E | 98.2 | Very high | 94.7 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 19% | 0.192 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.6 | -176.4 | -81.2 | -179.4 | -101.3 | 0 | 0 | 112.1 | I131 T167 R168 F178 | I131-E180 PolarHBondContact N-O 3.29Å; I131-E180 PolarHBondContact O-N 3.4Å; I131-E180 VanDerWaalsContact O-N 3.12Å; T167-E180 WeakPolarHBondContact CA-OE2 3.45Å; T167-E180 WeakPolarHBondContact CB-OE1 3.42Å; T167-E180 HydrophobicContact CG2-CB 4.03Å; R168-E180 VanDerWaalsContact CB-OE1 3.24Å; R168-E180 WeakPolarHBondContact CB-OE1 3.24Å; R168-E180 WeakPolarHBondContact CG-OE1 3.39Å; R168-E180 VanDerWaalsContact N-CD 3.32Å; R168-E180 PolarHBondContact N-OE1 3.37Å; R168-E180 PolarHBondContact N-OE2 3.3Å; R168-E180 VanDerWaalsContact N-OE2 3.08Å; F178-E180 PolarHBondContact O-N 3.22Å |
| 181 | T | 97 | Very high | 94.3 | Very high | 62 Ų | 62 | 56.4 Ų | 56.4 | 38% | 0.38 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 113.8 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | E128 I129 C130 K183 | E128-T181 HydrophobicContact CB-CG2 3.92Å; I129-T181 WeakPolarHBondContact O-CA 3.29Å; C130-T181 PolarHBondContact SG-OG1 3.15Å; T181-K183 HydrophobicContact CG2-CG 4.24Å |
| 182 | L | 97.2 | Very high | 93.8 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.5 | -180 | -53.8 | -177.6 | 0 | 0 | 0 | 109.9 | I129 I131 T153 R165 K166 T167 | I129-L182 WeakPolarHBondContact CD1-O 3.42Å; I129-L182 PolarHBondContact N-O 3.34Å; I129-L182 PolarHBondContact O-N 2.91Å; I131-L182 HydrophobicContact CG1-CD1 4.04Å; I131-L182 HydrophobicContact CG1-CG 4.31Å; T153-L182 HydrophobicContact CG2-CD1 3.89Å; R165-L182 HydrophobicContact CB-CB 3.89Å; R165-L182 HydrophobicContact CB-CD1 4.01Å; R165-L182 HydrophobicContact CB-CD2 4.26Å; R165-L182 HydrophobicContact CB-CG 4.27Å; R165-L182 HydrophobicContact CG-CB 4.29Å; K166-L182 WeakPolarHBondContact O-CD2 3.38Å; T167-L182 HydrophobicContact CG2-CD1 4.29Å |
| 183 | K | 95.7 | Very high | 93.3 | Very high | 106 Ų | 106 | 50.9 Ų | 50.9 | 46% | 0.461 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 141.6 | -171.9 | -54 | -165.3 | -177.8 | -152.4 | 0 | 114.1 | L127 E128 R165 T181 | L127-K183 WeakPolarHBondContact O-CA 3.48Å; E128-K183 HydrophobicContact CB-CG 4.45Å; E128-K183 HydrophobicContact CG-CD 4.05Å; E128-K183 HydrophobicContact CG-CG 4.03Å; E128-K183 WeakPolarHBondContact OE1-CD 3.25Å; E128-K183 WeakPolarHBondContact OE1-CE 3.5Å; E128-K183 IonicContact OE1-NZ 2.7Å; E128-K183 PolarHBondContact OE1-NZ 3.47Å; E128-K183 WeakPolarHBondContact OE2-CE 3.48Å; E128-K183 IonicContact OE2-NZ 3.13Å; E128-K183 PolarHBondContact OE2-NZ 2.68Å; R165-K183 PolarHBondContact NE-O 3.14Å; R165-K183 PolarHBondContact NH2-O 3.38Å; T181-K183 HydrophobicContact CG2-CG 4.24Å |
| 184 | Y | 94.5 | Very high | 92.9 | Very high | 9 Ų | 9 | 49.2 Ų | 49.2 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131.7 | 173.4 | -68.3 | -102.5 | 0 | 0 | 0 | 110 | S126 L127 I129 T153 Y154 L155 G163 R165 | S126-Y184 CarbonylContact C-O 3.55Å; S126-Y184 WeakPolarHBondContact CA-O 3.38Å; S126-Y184 WeakPolarHBondContact CB-O 3.47Å; L127-Y184 PolarHBondContact N-O 3.04Å; L127-Y184 PolarHBondContact O-N 3.47Å; I129-Y184 HydrophobicContact CD1-CD2 3.58Å; I129-Y184 HydrophobicContact CD1-CE2 3.73Å; T153-Y184 WeakPolarHBondContact CB-OH 3.37Å; T153-Y184 PolarHBondContact O-OH 2.9Å; T153-Y184 PolarHBondContact OG1-OH 3.34Å; Y154-Y184 WeakPolarHBondContact CA-OH 3.36Å; Y154-Y184 PolarHBondContact N-OH 2.83Å; L155-Y184 HydrophobicContact CB-CD1 3.68Å; L155-Y184 HydrophobicContact CB-CE1 3.6Å; L155-Y184 HydrophobicContact CB-CG 4.44Å; L155-Y184 HydrophobicContact CD2-CD1 4.12Å; L155-Y184 HydrophobicContact CD2-CG 4.44Å; G163-Y184 WeakPolarHBondContact O-CE1 3.5Å; R165-Y184 HydrophobicContact CB-CE2 4.5Å; R165-Y184 HydrophobicContact CG-CD2 4.43Å; R165-Y184 HydrophobicContact CG-CE1 4.37Å; R165-Y184 HydrophobicContact CG-CE2 3.77Å |
| 185 | Q | 92.6 | Very high | 92.7 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 33% | 0.332 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 116.6 | 164.7 | -74.4 | -63.5 | -27.2 | 0 | 0 | 108.7 | S124 C125 | S124-Q185 PolarHBondContact O-NE2 2.91Å; S124-Q185 VanDerWaalsContact O-NE2 3.1Å; S124-Q185 PolarHBondContact O-OE1 3.07Å; S124-Q185 VanDerWaalsContact O-OE1 3.11Å; C125-Q185 PolarHBondContact O-OE1 2.9Å |
| 186 | V | 89.4 | Confident | 92.5 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.03 | 25% | 0.247 | C | C | . | . | trans | -158.3 | 128.3 | -176.4 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | Y120 C125 L127 L155 Q190 L191 | Y120-V186 HydrophobicContact CE2-CG1 4.11Å; Y120-V186 VanDerWaalsContact CE2-O 3.29Å; Y120-V186 WeakPolarHBondContact CE2-O 3.48Å; Y120-V186 PolarHBondContact OH-O 3.42Å; C125-V186 CarbonylContact O-C 3.6Å; C125-V186 PolarHBondContact O-N 3.31Å; L127-V186 HydrophobicContact CB-CG1 3.68Å; L155-V186 HydrophobicContact CD2-CB 4.1Å; L155-V186 HydrophobicContact CD2-CG1 4.22Å; L155-V186 HydrophobicContact CD2-CG2 4.04Å; V186-Q190 HydrophobicContact CG2-CB 3.71Å; V186-L191 HydrophobicContact CG1-CD2 3.79Å; V186-L191 HydrophobicContact CG2-CD2 4.3Å | ||
| 187 | D | 87.6 | Confident | 92.5 | Very high | 91 Ų | 91 | 46.5 Ų | 46.5 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | trans | -62.7 | 144.2 | 176.9 | -179.8 | -86.2 | 0 | 0 | 0 | 111.9 | G189 Q190 | D187-G189 PolarHBondContact O-N 2.94Å; D187-G189 WeakPolarHBondContact OD1-CA 3.48Å; D187-G189 PolarHBondContact OD1-N 2.84Å; D187-Q190 HydrophobicContact CB-CG 4.38Å; D187-Q190 WeakPolarHBondContact O-CB 3.45Å; D187-Q190 PolarHBondContact O-N 3.11Å | ||
| 188 | P | 87.3 | Confident | 92.4 | Very high | 55 Ų | 55 | 42.8 Ų | 42.8 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -57.1 | -35.4 | -177.8 | -20.9 | 30.3 | 0 | 0 | 0 | 113.4 | Y120 Q190 L191 | Y120-P188 HydrophobicContact CE1-CB 4.33Å; Y120-P188 HydrophobicContact CE1-CG 3.83Å; Y120-P188 VanDerWaalsContact OH-CD 3.25Å; Y120-P188 WeakPolarHBondContact OH-CD 3.45Å; Y120-P188 WeakPolarHBondContact OH-CG 3.17Å; P188-Q190 VanDerWaalsContact C-N 3.26Å; P188-Q190 PolarHBondContact O-N 2.89Å; P188-L191 WeakPolarHBondContact O-CB 3.31Å; P188-L191 PolarHBondContact O-N 2.94Å |
| 189 | G | 86 | Confident | 92.4 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 45% | 0.454 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.6 | -22.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D187 | D187-G189 PolarHBondContact O-N 2.94Å; D187-G189 WeakPolarHBondContact OD1-CA 3.48Å; D187-G189 PolarHBondContact OD1-N 2.84Å |
| 190 | Q | 85.2 | Confident | 92.4 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -77.9 | -25.1 | 173.5 | -69.3 | -158.2 | 21.6 | 0 | 0 | 113.2 | V186 D187 P188 M192 T193 R194 L294 | V186-Q190 HydrophobicContact CG2-CB 3.71Å; D187-Q190 HydrophobicContact CB-CG 4.38Å; D187-Q190 WeakPolarHBondContact O-CB 3.45Å; D187-Q190 PolarHBondContact O-N 3.11Å; P188-Q190 VanDerWaalsContact C-N 3.26Å; P188-Q190 PolarHBondContact O-N 2.89Å; Q190-M192 PolarHBondContact O-N 2.89Å; Q190-M192 VanDerWaalsContact O-N 3.12Å; Q190-T193 PolarHBondContact O-N 2.9Å; Q190-T193 PolarHBondContact O-OG1 2.88Å; Q190-T193 VanDerWaalsContact O-OG1 3.12Å; Q190-R194 VanDerWaalsContact O-CG 3.29Å; Q190-R194 WeakPolarHBondContact O-CG 3.3Å; Q190-L294 PolarHBondContact NE2-O 3.33Å; Q190-L294 PolarHBondContact OE1-O 2.91Å |
| 191 | L | 89.5 | Confident | 92.4 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54.5 | -38.9 | -175.6 | -63.5 | 172.4 | 0 | 0 | 0 | 111.9 | Y120 L127 V186 P188 T193 R194 L219 F224 | Y120-L191 HydrophobicContact CD1-CD1 4.44Å; Y120-L191 HydrophobicContact CD2-CD1 3.69Å; Y120-L191 HydrophobicContact CD2-CD2 4.17Å; Y120-L191 HydrophobicContact CD2-CG 4.47Å; Y120-L191 HydrophobicContact CE2-CD1 3.92Å; Y120-L191 HydrophobicContact CE2-CD2 4.26Å; Y120-L191 HydrophobicContact CE2-CG 4.44Å; Y120-L191 HydrophobicContact CG-CD1 3.97Å; L127-L191 HydrophobicContact CB-CD2 4.45Å; L127-L191 HydrophobicContact CD1-CD2 4.08Å; L127-L191 HydrophobicContact CD2-CD2 4.42Å; V186-L191 HydrophobicContact CG1-CD2 3.79Å; V186-L191 HydrophobicContact CG2-CD2 4.3Å; P188-L191 WeakPolarHBondContact O-CB 3.31Å; P188-L191 PolarHBondContact O-N 2.94Å; L191-T193 PolarHBondContact O-N 3.29Å; L191-T193 VanDerWaalsContact O-N 3.13Å; L191-R194 PolarHBondContact O-N 3.16Å; L191-R194 VanDerWaalsContact O-N 3.17Å; L191-L219 HydrophobicContact CD2-CD1 4.25Å; L191-L219 WeakPolarHBondContact O-CB 3.45Å; L191-F224 HydrophobicContact CB-CE2 4.29Å; L191-F224 HydrophobicContact CD1-CD2 4.11Å; L191-F224 HydrophobicContact CD1-CE2 3.8Å; L191-F224 HydrophobicContact CD1-CZ 4.09Å; L191-F224 HydrophobicContact CD2-CZ 4.47Å |
| 192 | M | 86.1 | Confident | 92.3 | Very high | 105 Ų | 105 | 31.7 Ų | 31.7 | 52% | 0.517 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -11.8 | -178.8 | -50.8 | -54.4 | 157.2 | 0 | 0 | 114.3 | Q190 | Q190-M192 PolarHBondContact O-N 2.89Å; Q190-M192 VanDerWaalsContact O-N 3.12Å |
| 193 | T | 85.8 | Confident | 92.3 | Very high | 54 Ų | 54 | 33.8 Ų | 33.8 | 33% | 0.331 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 14.1 | 177 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | Q190 L191 | Q190-T193 PolarHBondContact O-N 2.9Å; Q190-T193 PolarHBondContact O-OG1 2.88Å; Q190-T193 VanDerWaalsContact O-OG1 3.12Å; L191-T193 PolarHBondContact O-N 3.29Å; L191-T193 VanDerWaalsContact O-N 3.13Å |
| 194 | R | 90 | Very high | 92.1 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | trans | -120.3 | 154.9 | -177.1 | -59.6 | -66.8 | 178.5 | -118.8 | 0.9 | 112.6 | L155 L156 Q190 L191 L219 N251 N293 L294 | L155-R194 HydrophobicContact CD1-CB 3.67Å; L155-R194 HydrophobicContact CD1-CG 4.25Å; L155-R194 HydrophobicContact CD2-CG 4.37Å; L155-R194 HydrophobicContact CG-CB 4.02Å; L155-R194 HydrophobicContact CG-CG 4.11Å; L156-R194 WeakPolarHBondContact O-CA 3.4Å; L156-R194 WeakPolarHBondContact O-CD 3.22Å; Q190-R194 VanDerWaalsContact O-CG 3.29Å; Q190-R194 WeakPolarHBondContact O-CG 3.3Å; L191-R194 PolarHBondContact O-N 3.16Å; L191-R194 VanDerWaalsContact O-N 3.17Å; R194-L219 HydrophobicContact CB-CD1 4.37Å; R194-L219 PolarHBondContact O-N 3.1Å; R194-N251 PolarHBondContact NH1-O 3.12Å; R194-N293 PolarHBondContact NH2-O 2.76Å; R194-L294 PolarHBondContact NH2-O 2.75Å | ||
| 195 | R | 93.7 | Very high | 91.8 | Very high | 58 Ų | 58 | 32.8 Ų | 32.8 | 22% | 0.219 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.1 | 171.6 | -51.4 | -174.4 | -71.7 | 141.9 | 1.2 | 109.1 | L156 I216 L217 P218 E245 | L156-R195 HydrophobicContact CB-CB 4.22Å; L156-R195 WeakPolarHBondContact CB-O 3.29Å; L156-R195 HydrophobicContact CD1-CB 4.44Å; L156-R195 PolarHBondContact N-O 2.76Å; L156-R195 PolarHBondContact O-N 3.06Å; R195-I216 HydrophobicContact CB-CG2 4.18Å; R195-L217 CarbonylContact C-O 3.5Å; R195-L217 WeakPolarHBondContact CA-O 3.44Å; R195-P218 HydrophobicContact CG-CB 4.37Å; R195-E245 IonicContact CZ-OE1 3.96Å; R195-E245 IonicContact CZ-OE2 2.75Å; R195-E245 IonicContact NH1-OE1 2.71Å; R195-E245 PolarHBondContact NH1-OE1 3.19Å; R195-E245 IonicContact NH1-OE2 3.79Å; R195-E245 VanDerWaalsContact NH2-CD 3.35Å; R195-E245 IonicContact NH2-OE1 3.62Å; R195-E245 PolarHBondContact NH2-OE1 2.64Å; R195-E245 IonicContact NH2-OE2 2.74Å; R195-E245 PolarHBondContact NH2-OE2 2.95Å |
| 196 | L | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119.7 | 172.8 | 177.3 | 67.8 | 0 | 0 | 0 | 108.7 | F116 I118 I129 V198 I216 L217 L219 | F116-L196 HydrophobicContact CE2-CD2 4.17Å; I118-L196 HydrophobicContact CD1-CD2 3.64Å; I118-L196 HydrophobicContact CG1-CD2 4.13Å; I129-L196 HydrophobicContact CD1-CD1 4.17Å; I129-L196 HydrophobicContact CG1-CD1 3.93Å; I129-L196 HydrophobicContact CG1-CD2 3.66Å; I129-L196 HydrophobicContact CG1-CG 4.47Å; I129-L196 HydrophobicContact CG2-CD2 4.27Å; L196-V198 HydrophobicContact CD1-CG2 4.35Å; L196-V198 HydrophobicContact CD2-CG2 3.77Å; L196-V198 HydrophobicContact CG-CG2 3.75Å; L196-I216 WeakPolarHBondContact O-CA 3.48Å; L196-L217 PolarHBondContact N-O 3.03Å; L196-L217 PolarHBondContact O-N 3.42Å; L196-L219 HydrophobicContact CB-CD1 4.45Å; L196-L219 HydrophobicContact CB-CD2 3.98Å; L196-L219 HydrophobicContact CB-CG 4.31Å |
| 197 | Q | 96.7 | Very high | 91.3 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.028 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.7 | 169 | 179.9 | -177.4 | 18.1 | 0 | 0 | 108.2 | T153 Y154 L156 E214 I216 | T153-Q197 CarbonylContact C-O 3.46Å; T153-Q197 WeakPolarHBondContact CA-O 3.45Å; Y154-Q197 PolarHBondContact N-O 3.02Å; Y154-Q197 PolarHBondContact O-N 3.38Å; L156-Q197 HydrophobicContact CD1-CB 4.05Å; L156-Q197 HydrophobicContact CG-CB 4.1Å; Q197-E214 PolarHBondContact NE2-OE2 3.24Å; Q197-I216 HydrophobicContact CB-CG1 4.31Å; Q197-I216 HydrophobicContact CG-CD1 4.5Å; Q197-I216 HydrophobicContact CG-CG1 4.09Å |
| 198 | V | 97.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120.4 | 174.8 | -171.7 | 0 | 0 | 0 | 0 | 107.7 | I114 F116 I131 V151 T153 L196 E214 V215 | I114-V198 HydrophobicContact CD1-CG1 3.81Å; F116-V198 HydrophobicContact CE1-CB 4.33Å; F116-V198 HydrophobicContact CE1-CG1 4.3Å; F116-V198 HydrophobicContact CE1-CG2 4.19Å; F116-V198 HydrophobicContact CE2-CG2 3.9Å; F116-V198 HydrophobicContact CZ-CB 4.27Å; F116-V198 HydrophobicContact CZ-CG2 3.68Å; I131-V198 HydrophobicContact CD1-CG1 4.11Å; V151-V198 HydrophobicContact CG1-CG1 3.57Å; T153-V198 HydrophobicContact CG2-CB 4.32Å; T153-V198 HydrophobicContact CG2-CG1 4.07Å; T153-V198 HydrophobicContact CG2-CG2 4.04Å; L196-V198 HydrophobicContact CD1-CG2 4.35Å; L196-V198 HydrophobicContact CD2-CG2 3.77Å; L196-V198 HydrophobicContact CG-CG2 3.75Å; V198-E214 CarbonylContact O-C 3.22Å; V198-E214 VanDerWaalsContact O-CA 3.23Å; V198-E214 WeakPolarHBondContact O-CA 3.3Å; V198-E214 WeakPolarHBondContact O-CB 3.33Å; V198-V215 PolarHBondContact N-O 3.24Å; V198-V215 PolarHBondContact O-N 3.05Å |
| 199 | S | 97.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 135.4 | -171.3 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | V151 K152 W201 G213 | V151-S199 CarbonylContact C-O 3.57Å; V151-S199 WeakPolarHBondContact CA-O 3.33Å; K152-S199 PolarHBondContact N-O 2.96Å; K152-S199 PolarHBondContact O-N 3.24Å; K152-S199 PolarHBondContact O-OG 3.28Å; S199-W201 VanDerWaalsContact O-CD1 3.25Å; S199-W201 PolarHBondContact OG-NE1 2.89Å; S199-G213 WeakPolarHBondContact CA-O 3.36Å |
| 200 | V | 98 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 138 | -177.7 | -167.8 | 0 | 0 | 0 | 0 | 109.3 | I114 L137 P149 V151 L212 G213 L237 | I114-V200 HydrophobicContact CD1-CG2 4.07Å; L137-V200 HydrophobicContact CD1-CG1 3.95Å; L137-V200 HydrophobicContact CD2-CG1 4.07Å; P149-V200 HydrophobicContact CB-CG1 4.41Å; V151-V200 HydrophobicContact CG2-CG2 4.4Å; V200-L212 HydrophobicContact CB-CB 4.2Å; V200-L212 HydrophobicContact CG1-CB 4.2Å; V200-L212 HydrophobicContact CG1-CD1 4.19Å; V200-L212 WeakPolarHBondContact O-CB 3.49Å; V200-L212 PolarHBondContact O-N 2.84Å; V200-G213 PolarHBondContact N-O 3.08Å; V200-L237 HydrophobicContact CB-CD1 4.35Å; V200-L237 HydrophobicContact CG2-CD1 3.91Å; V200-L237 HydrophobicContact CG2-CD2 3.63Å; V200-L237 HydrophobicContact CG2-CG 4.46Å |
| 201 | W | 97.3 | Very high | 92.4 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144.6 | -172.1 | -62.2 | 81.5 | 0 | 0 | 0 | 111.7 | F105 P149 Y150 K152 S199 R209 V210 F211 | F105-W201 HydrophobicContact CB-CZ3 4.29Å; F105-W201 HydrophobicContact CD1-CZ3 4.42Å; F105-W201 HydrophobicContact CD2-CH2 4.22Å; F105-W201 HydrophobicContact CD2-CZ3 4.07Å; F105-W201 AromaticContact CG-CZ3 3.99Å; F105-W201 HydrophobicContact CG-CZ3 3.99Å; P149-W201 CarbonylContact C-O 3.41Å; P149-W201 VanDerWaalsContact CA-O 3.3Å; P149-W201 WeakPolarHBondContact CA-O 3.01Å; Y150-W201 HydrophobicContact CD1-CB 4.12Å; Y150-W201 WeakPolarHBondContact CD1-O 3.19Å; Y150-W201 HydrophobicContact CD2-CB 4.49Å; Y150-W201 HydrophobicContact CE1-CB 3.59Å; Y150-W201 WeakPolarHBondContact CE1-O 3.25Å; Y150-W201 HydrophobicContact CE2-CB 4.02Å; Y150-W201 HydrophobicContact CE2-CG 4.46Å; Y150-W201 PolarHBondContact N-O 3.43Å; Y150-W201 PolarHBondContact O-N 2.88Å; K152-W201 HydrophobicContact CD-CZ2 4.5Å; S199-W201 VanDerWaalsContact O-CD1 3.25Å; S199-W201 PolarHBondContact OG-NE1 2.89Å; W201-R209 HydrophobicContact CE3-CB 4.27Å; W201-V210 WeakPolarHBondContact CA-O 3.24Å; W201-F211 HydrophobicContact CD2-CD2 4.25Å; W201-F211 AromaticContact CE2-CD2 3.96Å; W201-F211 HydrophobicContact CE3-CB 4.2Å; W201-F211 HydrophobicContact CE3-CD2 4.39Å; W201-F211 HydrophobicContact CH2-CD2 4.03Å; W201-F211 AromaticContact CZ2-CD2 3.86Å; W201-F211 HydrophobicContact CZ2-CD2 3.86Å; W201-F211 HydrophobicContact CZ2-CE2 4.44Å; W201-F211 HydrophobicContact CZ3-CB 4.1Å; W201-F211 HydrophobicContact CZ3-CD2 4.29Å |
| 202 | H | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 143.6 | 167.2 | -179.8 | 79.6 | 0 | 0 | 0 | 111.3 | E141 K146 C147 N148 G204 R209 V210 L212 | E141-H202 IonicContact OE1-NE2 3.21Å; E141-H202 PolarHBondContact OE1-NE2 2.85Å; K146-H202 PolarHBondContact O-CE1 3.29Å; C147-H202 WeakPolarHBondContact CA-ND1 3.33Å; N148-H202 PolarHBondContact N-CE1 2.96Å; N148-H202 PolarHBondContact N-ND1 3.21Å; H202-G204 VanDerWaalsContact CD2-CA 3.49Å; H202-G204 WeakPolarHBondContact CD2-CA 3.36Å; H202-G204 PolarHBondContact CD2-N 3.38Å; H202-G204 WeakPolarHBondContact NE2-CA 3.31Å; H202-G204 PolarHBondContact NE2-N 3.08Å; H202-R209 WeakPolarHBondContact O-CA 3.23Å; H202-V210 HydrophobicContact CB-CB 4.01Å; H202-V210 PolarHBondContact N-O 2.91Å; H202-V210 PolarHBondContact O-N 3.02Å; H202-L212 HydrophobicContact CB-CD1 4.08Å; H202-L212 HydrophobicContact CB-CD2 4.29Å; H202-L212 HydrophobicContact CB-CG 4.26Å |
| 203 | L | 96 | Very high | 93.2 | Very high | 57 Ų | 57 | 36.9 Ų | 36.9 | 30% | 0.298 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 105.7 | 161.3 | -174.4 | 63.4 | 0 | 0 | 0 | 110.5 | N148 Y150 V169 A207 | N148-L203 WeakPolarHBondContact CB-O 3.33Å; N148-L203 PolarHBondContact ND2-O 3.32Å; N148-L203 PolarHBondContact O-N 2.99Å; Y150-L203 HydrophobicContact CD1-CB 4.18Å; Y150-L203 HydrophobicContact CE1-CB 3.9Å; V169-L203 HydrophobicContact CG1-CB 4.07Å; V169-L203 HydrophobicContact CG1-CD2 4.37Å; V169-L203 HydrophobicContact CG2-CB 4.49Å; V169-L203 HydrophobicContact CG2-CD2 3.98Å; L203-A207 HydrophobicContact CD1-CB 4.3Å |
| 204 | G | 91.9 | Very high | 93.7 | Very high | 10 Ų | 10 | 35 Ų | 35 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | trans | -93 | -176.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E141 H202 A207 R208 | E141-G204 WeakPolarHBondContact OE1-CA 3.45Å; H202-G204 VanDerWaalsContact CD2-CA 3.49Å; H202-G204 WeakPolarHBondContact CD2-CA 3.36Å; H202-G204 PolarHBondContact CD2-N 3.38Å; H202-G204 WeakPolarHBondContact NE2-CA 3.31Å; H202-G204 PolarHBondContact NE2-N 3.08Å; G204-A207 PolarHBondContact O-N 2.85Å; G204-R208 PolarHBondContact N-O 2.75Å | ||
| 205 | T | 87 | Confident | 94 | Very high | 84 Ų | 84 | 35.3 Ų | 35.3 | 52% | 0.515 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -55.4 | 146.2 | 172 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | E141 A207 R208 | E141-T205 PolarHBondContact OE1-N 2.91Å; T205-A207 PolarHBondContact O-N 2.98Å; T205-R208 PolarHBondContact O-N 3.41Å |
| 206 | L | 87.2 | Confident | 94.1 | Very high | 179 Ų | 179 | 35 Ų | 35 | 94% | 0.937 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | 56.4 | 28.4 | -176.1 | -55 | 175.7 | 0 | 0 | 0 | 114 | R208 | L206-R208 PolarHBondContact O-N 3.3Å; L206-R208 VanDerWaalsContact O-N 3.1Å |
| 207 | A | 85.3 | Confident | 94 | Very high | 65 Ų | 65 | 36.3 Ų | 36.3 | 54% | 0.537 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | 60.2 | 14.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L203 G204 T205 | L203-A207 HydrophobicContact CD1-CB 4.3Å; G204-A207 PolarHBondContact O-N 2.85Å; T205-A207 PolarHBondContact O-N 2.98Å |
| 208 | R | 88.9 | Confident | 93.8 | Very high | 102 Ų | 102 | 38.4 Ų | 38.4 | 39% | 0.385 | 20% | 0.203 | S | C | . | . | trans | -56 | 141.6 | 168.7 | 175 | 168.6 | 158.4 | -92.4 | 16.1 | 109.9 | D106 G204 T205 L206 | D106-R208 IonicContact OD1-CZ 2.69Å; D106-R208 IonicContact OD1-NE 3.67Å; D106-R208 PolarHBondContact OD1-NE 2.84Å; D106-R208 IonicContact OD1-NH2 3.52Å; D106-R208 PolarHBondContact OD1-NH2 2.85Å; D106-R208 IonicContact OD2-CZ 3.56Å; D106-R208 IonicContact OD2-NE 2.8Å; D106-R208 IonicContact OD2-NH2 3.36Å; D106-R208 PolarHBondContact OD2-NH2 2.85Å; G204-R208 PolarHBondContact N-O 2.75Å; T205-R208 PolarHBondContact O-N 3.41Å; L206-R208 PolarHBondContact O-N 3.3Å; L206-R208 VanDerWaalsContact O-N 3.1Å | ||
| 209 | R | 92.5 | Very high | 93.5 | Very high | 115 Ų | 115 | 38.4 Ų | 38.4 | 43% | 0.434 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.4 | -177.8 | -58.4 | 171.4 | -173.1 | 151.4 | 6.4 | 108.3 | F105 Y150 W201 H202 | F105-R209 HydrophobicContact CD1-CB 3.93Å; F105-R209 HydrophobicContact CE1-CB 4.16Å; Y150-R209 WeakPolarHBondContact OH-CD 3.43Å; W201-R209 HydrophobicContact CE3-CB 4.27Å; H202-R209 WeakPolarHBondContact O-CA 3.23Å |
| 210 | V | 93 | Very high | 93.1 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.024 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 136.3 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 107.3 | D106 A108 G140 W201 H202 | D106-V210 HydrophobicContact CB-CG1 4.3Å; D106-V210 HydrophobicContact CB-CG2 4.14Å; D106-V210 WeakPolarHBondContact O-CA 3.37Å; D106-V210 VanDerWaalsContact O-CG1 3.27Å; D106-V210 WeakPolarHBondContact O-CG1 3.2Å; A108-V210 HydrophobicContact CB-CG1 4.09Å; G140-V210 WeakPolarHBondContact O-CG2 3.43Å; W201-V210 WeakPolarHBondContact CA-O 3.24Å; H202-V210 HydrophobicContact CB-CB 4.01Å; H202-V210 PolarHBondContact N-O 2.91Å; H202-V210 PolarHBondContact O-N 3.02Å |
| 211 | F | 94.4 | Very high | 92.3 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.022 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131.3 | -179.4 | 177.8 | -99 | 0 | 0 | 0 | 110.1 | D106 A108 V110 W201 G213 E214 K240 | D106-F211 PolarHBondContact O-N 2.8Å; A108-F211 PolarHBondContact N-O 2.85Å; V110-F211 HydrophobicContact CG2-CD1 4.34Å; V110-F211 HydrophobicContact CG2-CE1 4.22Å; W201-F211 HydrophobicContact CD2-CD2 4.25Å; W201-F211 AromaticContact CE2-CD2 3.96Å; W201-F211 HydrophobicContact CE3-CB 4.2Å; W201-F211 HydrophobicContact CE3-CD2 4.39Å; W201-F211 HydrophobicContact CH2-CD2 4.03Å; W201-F211 AromaticContact CZ2-CD2 3.86Å; W201-F211 HydrophobicContact CZ2-CD2 3.86Å; W201-F211 HydrophobicContact CZ2-CE2 4.44Å; W201-F211 HydrophobicContact CZ3-CB 4.1Å; W201-F211 HydrophobicContact CZ3-CD2 4.29Å; F211-G213 VanDerWaalsContact CE1-CA 3.41Å; F211-G213 VanDerWaalsContact CZ-CA 3.48Å; F211-E214 HydrophobicContact CE2-CB 4.06Å; F211-E214 HydrophobicContact CE2-CG 4.4Å; F211-E214 HydrophobicContact CZ-CB 3.82Å; F211-E214 HydrophobicContact CZ-CG 3.84Å; F211-K240 HydrophobicContact CE1-CB 3.96Å; F211-K240 HydrophobicContact CZ-CB 3.97Å |
| 212 | L | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 3.5 | -176.5 | -56.1 | 177.7 | 0 | 0 | 0 | 113.2 | A108 V110 A138 C147 P149 V200 H202 | A108-L212 HydrophobicContact CB-CD2 3.84Å; V110-L212 WeakPolarHBondContact CG1-O 3.46Å; A138-L212 HydrophobicContact CB-CD2 4.45Å; C147-L212 WeakPolarHBondContact SG-CD1 3.34Å; P149-L212 HydrophobicContact CB-CD1 4.42Å; V200-L212 HydrophobicContact CB-CB 4.2Å; V200-L212 HydrophobicContact CG1-CB 4.2Å; V200-L212 HydrophobicContact CG1-CD1 4.19Å; V200-L212 WeakPolarHBondContact O-CB 3.49Å; V200-L212 PolarHBondContact O-N 2.84Å; H202-L212 HydrophobicContact CB-CD1 4.08Å; H202-L212 HydrophobicContact CB-CD2 4.29Å; H202-L212 HydrophobicContact CB-CG 4.26Å |
| 213 | G | 96.1 | Very high | 91 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 121 | 165 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S199 V200 F211 R238 | S199-G213 WeakPolarHBondContact CA-O 3.36Å; V200-G213 PolarHBondContact N-O 3.08Å; F211-G213 VanDerWaalsContact CE1-CA 3.41Å; F211-G213 VanDerWaalsContact CZ-CA 3.48Å; G213-R238 CarbonylContact C-O 3.49Å; G213-R238 WeakPolarHBondContact CA-O 3.17Å |
| 214 | E | 97 | Very high | 90.3 | Very high | 14 Ų | 14 | 51.7 Ų | 51.7 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 167.7 | 179.3 | 73.3 | -170.7 | 169.7 | 0 | 0 | 114.6 | Q197 V198 F211 R238 K240 | Q197-E214 PolarHBondContact NE2-OE2 3.24Å; V198-E214 CarbonylContact O-C 3.22Å; V198-E214 VanDerWaalsContact O-CA 3.23Å; V198-E214 WeakPolarHBondContact O-CA 3.3Å; V198-E214 WeakPolarHBondContact O-CB 3.33Å; F211-E214 HydrophobicContact CE2-CB 4.06Å; F211-E214 HydrophobicContact CE2-CG 4.4Å; F211-E214 HydrophobicContact CZ-CB 3.82Å; F211-E214 HydrophobicContact CZ-CG 3.84Å; E214-R238 PolarHBondContact N-O 2.92Å; E214-R238 PolarHBondContact O-N 2.76Å; E214-K240 WeakPolarHBondContact OE1-CG 3.45Å |
| 215 | V | 96.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 131.8 | 174.1 | -171 | 0 | 0 | 0 | 0 | 107 | I114 F116 V198 L217 Y235 L237 | I114-V215 HydrophobicContact CG2-CG2 3.77Å; F116-V215 HydrophobicContact CZ-CG1 4.48Å; V198-V215 PolarHBondContact N-O 3.24Å; V198-V215 PolarHBondContact O-N 3.05Å; V215-L217 HydrophobicContact CG1-CD2 4.08Å; V215-L217 HydrophobicContact CG1-CG 4.06Å; V215-Y235 HydrophobicContact CG1-CD1 3.93Å; V215-Y235 HydrophobicContact CG1-CG 4.01Å; V215-L237 HydrophobicContact CG2-CD2 4.11Å |
| 216 | I | 95 | Very high | 89 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 26% | 0.262 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122 | 175.9 | -59.9 | 176.8 | 0 | 0 | 0 | 108.5 | R195 L196 Q197 | R195-I216 HydrophobicContact CB-CG2 4.18Å; L196-I216 WeakPolarHBondContact O-CA 3.48Å; Q197-I216 HydrophobicContact CB-CG1 4.31Å; Q197-I216 HydrophobicContact CG-CD1 4.5Å; Q197-I216 HydrophobicContact CG-CG1 4.09Å |
| 217 | L | 93.3 | Very high | 88.1 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 15% | 0.147 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 115.7 | -176.5 | -61.7 | 177.1 | 0 | 0 | 0 | 110.5 | F116 I118 R195 L196 V215 L219 W222 Y235 | F116-L217 HydrophobicContact CE2-CD1 3.87Å; F116-L217 HydrophobicContact CZ-CD1 3.66Å; I118-L217 HydrophobicContact CD1-CD1 3.92Å; R195-L217 CarbonylContact C-O 3.5Å; R195-L217 WeakPolarHBondContact CA-O 3.44Å; L196-L217 PolarHBondContact N-O 3.03Å; L196-L217 PolarHBondContact O-N 3.42Å; V215-L217 HydrophobicContact CG1-CD2 4.08Å; V215-L217 HydrophobicContact CG1-CG 4.06Å; L217-L219 PolarHBondContact O-N 2.97Å; L217-W222 HydrophobicContact CD1-CZ3 4.04Å; L217-Y235 HydrophobicContact CD1-CE1 4.05Å; L217-Y235 HydrophobicContact CD2-CD1 4.33Å; L217-Y235 HydrophobicContact CD2-CE1 3.93Å |
| 218 | P | 93.2 | Very high | 87.4 | Confident | 51 Ų | 51 | 55 Ų | 55 | 33% | 0.331 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 119.5 | 169.3 | -17.8 | 31.8 | 0 | 0 | 0 | 110.6 | R195 A220 M221 | R195-P218 HydrophobicContact CG-CB 4.37Å; P218-A220 PolarHBondContact O-N 3.13Å; P218-M221 HydrophobicContact CB-CE 4.22Å; P218-M221 HydrophobicContact CG-CE 3.98Å; P218-M221 PolarHBondContact O-N 3.12Å |
| 219 | L | 92.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -75.3 | -13.5 | -175.7 | -62.1 | -179.7 | 0 | 0 | 0 | 112.9 | I118 L127 L155 L191 R194 L196 L217 M221 W222 F224 | I118-L219 HydrophobicContact CD1-CD2 4.28Å; L127-L219 HydrophobicContact CD1-CD1 4.48Å; L127-L219 HydrophobicContact CD2-CD1 3.6Å; L155-L219 HydrophobicContact CD1-CD1 3.57Å; L191-L219 HydrophobicContact CD2-CD1 4.25Å; L191-L219 WeakPolarHBondContact O-CB 3.45Å; R194-L219 HydrophobicContact CB-CD1 4.37Å; R194-L219 PolarHBondContact O-N 3.1Å; L196-L219 HydrophobicContact CB-CD1 4.45Å; L196-L219 HydrophobicContact CB-CD2 3.98Å; L196-L219 HydrophobicContact CB-CG 4.31Å; L217-L219 PolarHBondContact O-N 2.97Å; L219-M221 PolarHBondContact O-N 3.12Å; L219-W222 PolarHBondContact O-N 3.14Å; L219-W222 VanDerWaalsContact O-N 3.13Å; L219-F224 HydrophobicContact CB-CZ 4.41Å; L219-F224 HydrophobicContact CD2-CZ 4.36Å |
| 220 | A | 87.5 | Confident | 85.2 | Confident | 57 Ų | 57 | 47.7 Ų | 47.7 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -59.9 | -21.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | P218 | P218-A220 PolarHBondContact O-N 3.13Š|
| 221 | M | 81 | Confident | 84.8 | Confident | 156 Ų | 156 | 52.2 Ų | 52.2 | 77% | 0.768 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -104.2 | 7.4 | 178.8 | -55 | -173.1 | -54 | 0 | 0 | 112.6 | P218 L219 | P218-M221 HydrophobicContact CB-CE 4.22Å; P218-M221 HydrophobicContact CG-CE 3.98Å; P218-M221 PolarHBondContact O-N 3.12Å; L219-M221 PolarHBondContact O-N 3.12Å |
| 222 | W | 84.4 | Confident | 84.7 | Confident | 32 Ų | 32 | 53.9 Ų | 53.9 | 12% | 0.121 | 30% | 0.296 | C | S | . | . | trans | -97.2 | 116.3 | -176.4 | -162.6 | -84.6 | 0 | 0 | 0 | 110.7 | I118 L217 L219 F224 A229 Y235 | I118-W222 HydrophobicContact CB-CH2 4.35Å; I118-W222 HydrophobicContact CB-CZ2 3.65Å; I118-W222 HydrophobicContact CD1-CD2 4.01Å; I118-W222 HydrophobicContact CD1-CE3 3.92Å; I118-W222 HydrophobicContact CD1-CH2 3.73Å; I118-W222 HydrophobicContact CD1-CZ2 3.83Å; I118-W222 HydrophobicContact CD1-CZ3 3.78Å; I118-W222 HydrophobicContact CG1-CH2 3.96Å; I118-W222 HydrophobicContact CG1-CZ2 3.77Å; I118-W222 PolarHBondContact O-NE1 3.22Å; L217-W222 HydrophobicContact CD1-CZ3 4.04Å; L219-W222 PolarHBondContact O-N 3.14Å; L219-W222 VanDerWaalsContact O-N 3.13Å; W222-F224 HydrophobicContact CB-CE2 3.91Å; W222-F224 HydrophobicContact CB-CZ 3.92Å; W222-F224 AromaticContact CD1-CD1 3.55Å; W222-F224 AromaticContact CD1-CE1 3.41Å; W222-F224 VanDerWaalsContact CD1-CE1 3.41Å; W222-F224 AromaticContact CD1-CG 3.95Å; W222-F224 AromaticContact CD1-CZ 3.68Å; W222-F224 HydrophobicContact CG-CE1 4.14Å; W222-F224 HydrophobicContact CG-CE2 4.34Å; W222-F224 HydrophobicContact CG-CZ 4.01Å; W222-F224 WeakPolarHBondContact O-CD2 3.44Å; W222-F224 WeakPolarHBondContact O-CE2 3.12Å; W222-F224 PolarHBondContact O-N 3.38Å; W222-A229 WeakPolarHBondContact CZ2-O 3.03Å; W222-Y235 VanDerWaalsContact CH2-OH 3.28Å; W222-Y235 WeakPolarHBondContact CH2-OH 3.2Å; W222-Y235 WeakPolarHBondContact CZ3-OH 3.45Å | ||
| 223 | D | 82.2 | Confident | 84.6 | Confident | 88 Ų | 88 | 58.8 Ų | 58.8 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | trans | -76.4 | 107.6 | 171.8 | -166.4 | -16.2 | 0 | 0 | 0 | 109.7 | K225 D226 A229 | D223-K225 VanDerWaalsContact C-N 3.33Å; D223-K225 WeakPolarHBondContact OD1-CA 3.22Å; D223-K225 WeakPolarHBondContact OD1-CB 3.13Å; D223-K225 PolarHBondContact OD1-N 2.83Å; D223-D226 HydrophobicContact CB-CB 4.14Å; D223-D226 PolarHBondContact OD1-N 3.18Å; D223-A229 HydrophobicContact CB-CB 4.48Å; D223-A229 WeakPolarHBondContact O-CB 3.46Å | ||
| 224 | F | 82.6 | Confident | 84.7 | Confident | 31 Ų | 31 | 63 Ų | 63 | 14% | 0.136 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -82 | -10.2 | 175.6 | -64.8 | -78.3 | 0 | 0 | 0 | 113.4 | I118 Y120 L127 L191 L219 W222 Q230 | I118-F224 HydrophobicContact CG2-CE1 4.11Å; Y120-F224 VanDerWaalsContact CB-CD1 3.47Å; L127-F224 HydrophobicContact CD1-CE1 3.51Å; L127-F224 HydrophobicContact CD1-CZ 3.89Å; L191-F224 HydrophobicContact CB-CE2 4.29Å; L191-F224 HydrophobicContact CD1-CD2 4.11Å; L191-F224 HydrophobicContact CD1-CE2 3.8Å; L191-F224 HydrophobicContact CD1-CZ 4.09Å; L191-F224 HydrophobicContact CD2-CZ 4.47Å; L219-F224 HydrophobicContact CB-CZ 4.41Å; L219-F224 HydrophobicContact CD2-CZ 4.36Å; W222-F224 HydrophobicContact CB-CE2 3.91Å; W222-F224 HydrophobicContact CB-CZ 3.92Å; W222-F224 AromaticContact CD1-CD1 3.55Å; W222-F224 AromaticContact CD1-CE1 3.41Å; W222-F224 VanDerWaalsContact CD1-CE1 3.41Å; W222-F224 AromaticContact CD1-CG 3.95Å; W222-F224 AromaticContact CD1-CZ 3.68Å; W222-F224 HydrophobicContact CG-CE1 4.14Å; W222-F224 HydrophobicContact CG-CE2 4.34Å; W222-F224 HydrophobicContact CG-CZ 4.01Å; W222-F224 WeakPolarHBondContact O-CD2 3.44Å; W222-F224 WeakPolarHBondContact O-CE2 3.12Å; W222-F224 PolarHBondContact O-N 3.38Å; F224-Q230 PolarHBondContact O-NE2 2.75Å |
| 225 | K | 76.2 | Confident | 84.7 | Confident | 196 Ų | 196 | 64 Ų | 64 | 85% | 0.852 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -90.6 | -33.3 | 177.9 | -59.9 | -179.2 | 179.7 | 177.9 | 0 | 112.2 | D223 S227 | D223-K225 VanDerWaalsContact C-N 3.33Å; D223-K225 WeakPolarHBondContact OD1-CA 3.22Å; D223-K225 WeakPolarHBondContact OD1-CB 3.13Å; D223-K225 PolarHBondContact OD1-N 2.83Å; K225-S227 PolarHBondContact O-N 3.34Å |
| 226 | D | 75.2 | Confident | 84.7 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | trans | -68.2 | 122.3 | 175.4 | 174.7 | 31.6 | 0 | 0 | 0 | 111.9 | D223 T228 A229 Q230 | D223-D226 HydrophobicContact CB-CB 4.14Å; D223-D226 PolarHBondContact OD1-N 3.18Å; D226-T228 VanDerWaalsContact C-N 3.26Å; D226-T228 VanDerWaalsContact CG-N 3.28Å; D226-T228 PolarHBondContact O-N 3.09Å; D226-T228 WeakPolarHBondContact OD1-CG2 2.99Å; D226-T228 PolarHBondContact OD1-N 3.22Å; D226-T228 WeakPolarHBondContact OD2-CB 3.21Å; D226-T228 PolarHBondContact OD2-N 3.4Å; D226-T228 PolarHBondContact OD2-OG1 3.44Å; D226-A229 HydrophobicContact CB-CB 4Å; D226-A229 PolarHBondContact O-N 3.28Å; D226-A229 PolarHBondContact OD2-N 3.05Å; D226-Q230 PolarHBondContact O-N 3.23Å | ||
| 227 | S | 68.5 | Low | 84.9 | Confident | 88 Ų | 88 | 64.9 Ų | 64.9 | 62% | 0.615 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.7 | 171.9 | 44 | 0 | 0 | 0 | 0 | 113.7 | K225 Q230 | K225-S227 PolarHBondContact O-N 3.34Å; S227-Q230 PolarHBondContact O-N 2.81Å |
| 228 | T | 69.3 | Low | 84.9 | Confident | 75 Ų | 75 | 71.9 Ų | 71.9 | 46% | 0.46 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -30.2 | 179.4 | 90.5 | 0 | 0 | 0 | 0 | 112.5 | D226 Q230 N231 R233 | D226-T228 VanDerWaalsContact C-N 3.26Å; D226-T228 VanDerWaalsContact CG-N 3.28Å; D226-T228 PolarHBondContact O-N 3.09Å; D226-T228 WeakPolarHBondContact OD1-CG2 2.99Å; D226-T228 PolarHBondContact OD1-N 3.22Å; D226-T228 WeakPolarHBondContact OD2-CB 3.21Å; D226-T228 PolarHBondContact OD2-N 3.4Å; D226-T228 PolarHBondContact OD2-OG1 3.44Å; T228-Q230 VanDerWaalsContact C-N 3.26Å; T228-N231 WeakPolarHBondContact O-CB 3.49Å; T228-N231 PolarHBondContact O-N 2.8Å; T228-R233 VanDerWaalsContact C-NH2 3.28Å; T228-R233 PolarHBondContact O-NH2 2.7Å |
| 229 | A | 65.6 | Low | 84.8 | Confident | 7 Ų | 7 | 72.8 Ų | 72.8 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -34.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | W222 D223 D226 N231 | W222-A229 WeakPolarHBondContact CZ2-O 3.03Å; D223-A229 HydrophobicContact CB-CB 4.48Å; D223-A229 WeakPolarHBondContact O-CB 3.46Å; D226-A229 HydrophobicContact CB-CB 4Å; D226-A229 PolarHBondContact O-N 3.28Å; D226-A229 PolarHBondContact OD2-N 3.05Å; A229-N231 VanDerWaalsContact C-N 3.29Å; A229-N231 PolarHBondContact O-N 3.1Å |
| 230 | Q | 71.1 | Confident | 84.3 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -6.6 | 175.6 | -69.5 | -168.1 | 40.4 | 0 | 0 | 115 | H119 F224 D226 S227 T228 | H119-Q230 PolarHBondContact CE1-O 2.79Å; H119-Q230 PolarHBondContact ND1-OE1 3.02Å; F224-Q230 PolarHBondContact O-NE2 2.75Å; D226-Q230 PolarHBondContact O-N 3.23Å; S227-Q230 PolarHBondContact O-N 2.81Å; T228-Q230 VanDerWaalsContact C-N 3.26Å |
| 231 | N | 85 | Confident | 83.3 | Confident | 100 Ų | 100 | 77 Ų | 77 | 54% | 0.535 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -70.1 | 153.2 | 173.4 | -74.5 | -29.7 | 0 | 0 | 0 | 111.7 | T228 A229 | T228-N231 WeakPolarHBondContact O-CB 3.49Å; T228-N231 PolarHBondContact O-N 2.8Å; A229-N231 VanDerWaalsContact C-N 3.29Å; A229-N231 PolarHBondContact O-N 3.1Å |
| 232 | A | 91.8 | Very high | 81.9 | Confident | 40 Ų | 40 | 75.7 Ų | 75.7 | 33% | 0.331 | 39% | 0.391 | S | S | . | . | trans | -64.5 | 135.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | E115 F116 A117 K132 | E115-A232 HydrophobicContact CG-CB 4.06Å; F116-A232 WeakPolarHBondContact O-CA 3.45Å; A117-A232 HydrophobicContact CB-CB 4.23Å; K132-A232 HydrophobicContact CG-CB 4.02Å | ||
| 233 | R | 93.8 | Very high | 80.2 | Confident | 102 Ų | 102 | 82.1 Ų | 82.1 | 39% | 0.385 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 145 | -176.5 | -68.3 | 173.3 | -176.9 | -155.1 | -5.7 | 110.2 | E115 F116 T228 Y235 | E115-R233 WeakPolarHBondContact CA-O 3.22Å; F116-R233 PolarHBondContact N-O 3.39Å; F116-R233 VanDerWaalsContact N-O 3.12Å; F116-R233 PolarHBondContact O-N 3.32Å; T228-R233 VanDerWaalsContact C-NH2 3.28Å; T228-R233 PolarHBondContact O-NH2 2.7Å; R233-Y235 HydrophobicContact CB-CE2 3.7Å; R233-Y235 VanDerWaalsContact O-CD2 3.27Å; R233-Y235 WeakPolarHBondContact O-CD2 3.38Å; R233-Y235 WeakPolarHBondContact O-CE2 3.4Å |
| 234 | W | 97.1 | Very high | 78.4 | Confident | 90 Ų | 90 | 86.9 Ų | 86.9 | 34% | 0.341 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 137.2 | 173.5 | -74 | 88.6 | 0 | 0 | 0 | 111 | E113 I114 E115 T133 K135 | E113-W234 HydrophobicContact CB-CE3 3.59Å; E113-W234 HydrophobicContact CB-CZ3 4.04Å; I114-W234 WeakPolarHBondContact O-CA 3.49Å; E115-W234 HydrophobicContact CB-CD2 3.76Å; E115-W234 HydrophobicContact CB-CE3 3.91Å; E115-W234 HydrophobicContact CB-CG 4.34Å; E115-W234 HydrophobicContact CB-CH2 4.04Å; E115-W234 HydrophobicContact CB-CZ2 3.83Å; E115-W234 HydrophobicContact CB-CZ3 4.04Å; E115-W234 HydrophobicContact CG-CD2 4.24Å; E115-W234 HydrophobicContact CG-CG 4.4Å; E115-W234 HydrophobicContact CG-CZ2 4.39Å; E115-W234 PolarHBondContact OE1-NE1 2.91Å; T133-W234 HydrophobicContact CG2-CH2 3.58Å; T133-W234 HydrophobicContact CG2-CZ2 3.8Å; K135-W234 HydrophobicContact CB-CH2 4.01Å; K135-W234 HydrophobicContact CB-CZ3 4.11Å; K135-W234 HydrophobicContact CD-CE3 4.08Å; K135-W234 HydrophobicContact CD-CH2 3.53Å; K135-W234 HydrophobicContact CD-CZ2 4.11Å; K135-W234 HydrophobicContact CD-CZ3 3.54Å; K135-W234 HydrophobicContact CG-CE3 4.34Å; K135-W234 HydrophobicContact CG-CH2 3.78Å; K135-W234 HydrophobicContact CG-CZ3 3.53Å |
| 235 | Y | 97.1 | Very high | 76.7 | Confident | 35 Ų | 35 | 87.6 Ų | 87.6 | 14% | 0.137 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.6 | 176.8 | -65.2 | -86.9 | 0 | 0 | 0 | 110.1 | E113 I114 F116 V215 L217 W222 R233 L237 | E113-Y235 VanDerWaalsContact CA-O 3.3Å; E113-Y235 WeakPolarHBondContact CA-O 3.45Å; I114-Y235 PolarHBondContact N-O 2.99Å; I114-Y235 PolarHBondContact O-N 3.32Å; F116-Y235 AromaticContact CD1-CD2 3.78Å; F116-Y235 HydrophobicContact CD1-CD2 3.78Å; F116-Y235 HydrophobicContact CD1-CE2 4.22Å; F116-Y235 AromaticContact CE1-CD2 3.29Å; F116-Y235 HydrophobicContact CE1-CD2 3.29Å; F116-Y235 AromaticContact CE1-CE2 3.82Å; F116-Y235 HydrophobicContact CE1-CE2 3.82Å; F116-Y235 AromaticContact CE1-CG 3.94Å; F116-Y235 HydrophobicContact CE1-CG 3.94Å; F116-Y235 HydrophobicContact CE2-CD2 4.5Å; F116-Y235 HydrophobicContact CE2-CE2 4.21Å; F116-Y235 AromaticContact CZ-CD2 3.71Å; F116-Y235 HydrophobicContact CZ-CD2 3.71Å; F116-Y235 AromaticContact CZ-CE2 3.81Å; F116-Y235 HydrophobicContact CZ-CE2 3.81Å; F116-Y235 HydrophobicContact CZ-CG 4.31Å; V215-Y235 HydrophobicContact CG1-CD1 3.93Å; V215-Y235 HydrophobicContact CG1-CG 4.01Å; L217-Y235 HydrophobicContact CD1-CE1 4.05Å; L217-Y235 HydrophobicContact CD2-CD1 4.33Å; L217-Y235 HydrophobicContact CD2-CE1 3.93Å; W222-Y235 VanDerWaalsContact CH2-OH 3.28Å; W222-Y235 WeakPolarHBondContact CH2-OH 3.2Å; W222-Y235 WeakPolarHBondContact CZ3-OH 3.45Å; R233-Y235 HydrophobicContact CB-CE2 3.7Å; R233-Y235 VanDerWaalsContact O-CD2 3.27Å; R233-Y235 WeakPolarHBondContact O-CD2 3.38Å; R233-Y235 WeakPolarHBondContact O-CE2 3.4Å; Y235-L237 PolarHBondContact O-N 3.26Å |
| 236 | P | 97.5 | Very high | 75.1 | Confident | 67 Ų | 67 | 86.2 Ų | 86.2 | 44% | 0.435 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 131.6 | 175.6 | 28.2 | -34.3 | 0 | 0 | 0 | 110.5 | ||
| 237 | L | 97.7 | Very high | 73.5 | Confident | 15 Ų | 15 | 89.4 Ų | 89.4 | 8% | 0.079 | 45% | 0.45 | C | S | . | . | trans | -73 | 137.3 | 179.8 | -66.3 | 172.4 | 0 | 0 | 0 | 110.6 | V110 G112 I114 L137 V200 V215 Y235 | V110-L237 HydrophobicContact CG1-CB 3.88Å; V110-L237 WeakPolarHBondContact CG1-O 3.29Å; G112-L237 WeakPolarHBondContact O-CB 3.25Å; G112-L237 PolarHBondContact O-N 3.01Å; I114-L237 HydrophobicContact CB-CD2 4.15Å; I114-L237 HydrophobicContact CG2-CD2 3.65Å; I114-L237 HydrophobicContact CG2-CG 4.41Å; L137-L237 HydrophobicContact CD2-CD1 3.3Å; V200-L237 HydrophobicContact CB-CD1 4.35Å; V200-L237 HydrophobicContact CG2-CD1 3.91Å; V200-L237 HydrophobicContact CG2-CD2 3.63Å; V200-L237 HydrophobicContact CG2-CG 4.46Å; V215-L237 HydrophobicContact CG2-CD2 4.11Å; Y235-L237 PolarHBondContact O-N 3.26Å | ||
| 238 | R | 94.6 | Very high | 72.6 | Confident | 174 Ų | 174 | 89 Ų | 89 | 66% | 0.657 | 44% | 0.44 | S | S | * | . | B | Isolated β-bridge | trans | -116.2 | 148.3 | -179.2 | -60.1 | -176.2 | -179 | -173.2 | -1.6 | 111.4 | G213 E214 | G213-R238 CarbonylContact C-O 3.49Å; G213-R238 WeakPolarHBondContact CA-O 3.17Å; E214-R238 PolarHBondContact N-O 2.92Å; E214-R238 PolarHBondContact O-N 2.76Å |
| 239 | A | 90.8 | Very high | 71.7 | Confident | 71 Ų | 71 | 89.4 Ų | 89.4 | 59% | 0.587 | 44% | 0.444 | S | S | * | . | trans | -60.4 | 146.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V110 A241 | V110-A239 HydrophobicContact CG2-CB 4.31Å; A239-A241 PolarHBondContact O-N 2.74Å | ||
| 240 | K | 82.1 | Confident | 71.5 | Confident | 81 Ų | 81 | 93.1 Ų | 93.1 | 35% | 0.352 | 46% | 0.46 | S | S | . | . | trans | -62 | 125.2 | 176.9 | -172.3 | 174.2 | -165 | -177.8 | 0 | 108.8 | E101 F211 E214 E242 | E101-K240 IonicContact OE1-NZ 3.41Å; E101-K240 PolarHBondContact OE1-NZ 2.79Å; F211-K240 HydrophobicContact CE1-CB 3.96Å; F211-K240 HydrophobicContact CZ-CB 3.97Å; E214-K240 WeakPolarHBondContact OE1-CG 3.45Å; K240-E242 PolarHBondContact O-N 3.26Å | ||
| 241 | A | 65.6 | Low | 71.6 | Confident | 65 Ų | 65 | 93.2 Ų | 93.2 | 54% | 0.537 | 46% | 0.462 | S | S | . | . | trans | -68.9 | 102.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | A239 K243 | A239-A241 PolarHBondContact O-N 2.74Å; A241-K243 PolarHBondContact O-N 3.37Å | ||
| 242 | E | 52.4 | Low | 71.5 | Confident | 128 Ų | 128 | 89.3 Ų | 89.3 | 60% | 0.598 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 127.2 | 176.5 | -67.2 | -166.5 | -173.9 | 0 | 0 | 110.8 | K240 Y244 | K240-E242 PolarHBondContact O-N 3.26Å; E242-Y244 PolarHBondContact O-N 2.92Å |
| 243 | K | 48.1 | Very low | 71.3 | Confident | 167 Ų | 167 | 87.4 Ų | 87.4 | 73% | 0.726 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 3.3 | 161.8 | -54.6 | 160.2 | -168.6 | 163.4 | 0 | 118.6 | A241 | A241-K243 PolarHBondContact O-N 3.37Š|
| 244 | Y | 44.1 | Very low | 71.2 | Confident | 188 Ų | 188 | 84.6 Ų | 84.6 | 74% | 0.737 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -25 | 178.1 | -86.3 | -87.1 | 0 | 0 | 0 | 116.3 | E242 E246 | E242-Y244 PolarHBondContact O-N 2.92Å; Y244-E246 VanDerWaalsContact C-N 3.29Å; Y244-E246 PolarHBondContact O-N 2.88Å |
| 245 | E | 46.1 | Very low | 71.1 | Confident | 45 Ų | 45 | 80.3 Ų | 80.3 | 21% | 0.21 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -68.1 | -18.7 | -175.3 | -84.4 | -89.3 | 120.1 | 0 | 0 | 115.1 | R159 R195 N247 | R159-E245 IonicContact NH2-OE2 3.26Å; R159-E245 PolarHBondContact NH2-OE2 2.92Å; R195-E245 IonicContact CZ-OE1 3.96Å; R195-E245 IonicContact CZ-OE2 2.75Å; R195-E245 IonicContact NH1-OE1 2.71Å; R195-E245 PolarHBondContact NH1-OE1 3.19Å; R195-E245 IonicContact NH1-OE2 3.79Å; R195-E245 VanDerWaalsContact NH2-CD 3.35Å; R195-E245 IonicContact NH2-OE1 3.62Å; R195-E245 PolarHBondContact NH2-OE1 2.64Å; R195-E245 IonicContact NH2-OE2 2.74Å; R195-E245 PolarHBondContact NH2-OE2 2.95Å; E245-N247 VanDerWaalsContact C-N 3.31Å; E245-N247 PolarHBondContact O-N 2.77Å |
| 246 | E | 43.3 | Very low | 71 | Confident | 168 Ų | 168 | 80.2 Ų | 80.2 | 79% | 0.785 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -77.3 | -15 | -175.9 | -65.1 | -177.3 | 160 | 0 | 0 | 113.6 | Y244 | Y244-E246 VanDerWaalsContact C-N 3.29Å; Y244-E246 PolarHBondContact O-N 2.88Å |
| 247 | N | 41 | Very low | 70.9 | Confident | 116 Ų | 116 | 77 Ų | 77 | 62% | 0.62 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -94.7 | -0.3 | -178.3 | -68.2 | -64.5 | 0 | 0 | 0 | 114.3 | E245 P249 | E245-N247 VanDerWaalsContact C-N 3.31Å; E245-N247 PolarHBondContact O-N 2.77Å; N247-P249 WeakPolarHBondContact O-CD 3.27Å |
| 248 | I | 50.2 | Low | 70.8 | Confident | 81 Ų | 81 | 80.9 Ų | 80.9 | 42% | 0.415 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -81.2 | 117.8 | 169.2 | -57 | 176.7 | 0 | 0 | 0 | 107.2 | Q250 | I248-Q250 PolarHBondContact O-N 2.8Š|
| 249 | P | 51.2 | Low | 70.9 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 53% | 0.532 | 37% | 0.369 | S | S | . | . | trans | -62.2 | 108.6 | 178.7 | 25.2 | -33.3 | 0 | 0 | 0 | 109.4 | N247 N251 | N247-P249 WeakPolarHBondContact O-CD 3.27Å; P249-N251 PolarHBondContact O-N 2.89Å | ||
| 250 | Q | 61.1 | Low | 71 | Confident | 86 Ų | 86 | 71.5 Ų | 71.5 | 40% | 0.402 | 35% | 0.351 | S | S | . | . | trans | -67.1 | 133.6 | -178.2 | -58.7 | -171.2 | 18.8 | 0 | 0 | 108.7 | I248 H412 | I248-Q250 PolarHBondContact O-N 2.8Å; Q250-H412 WeakPolarHBondContact O-CA 3.49Å; Q250-H412 PolarHBondContact O-ND1 3.35Å | ||
| 251 | N | 73.5 | Confident | 71.5 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | trans | -105.3 | 94.9 | 172.9 | -172.4 | -22.8 | 0 | 0 | 0 | 108.4 | R194 P249 G253 | R194-N251 PolarHBondContact NH1-O 3.12Å; P249-N251 PolarHBondContact O-N 2.89Å; N251-G253 PolarHBondContact O-N 2.9Å; N251-G253 WeakPolarHBondContact OD1-CA 3.43Å; N251-G253 PolarHBondContact OD1-N 3.15Å; N251-G253 PolarHBondContact OD1-O 3.08Å | ||
| 252 | N | 83.2 | Confident | 72.8 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | trans | -83.8 | 10.4 | 177.9 | -80.3 | -25.4 | 0 | 0 | 0 | 112.9 | P157 P295 L369 L411 H412 | P157-N252 WeakPolarHBondContact CB-OD1 2.99Å; P157-N252 WeakPolarHBondContact CG-OD1 3.3Å; N252-P295 WeakPolarHBondContact O-CD 3.2Å; N252-L369 WeakPolarHBondContact CB-O 3.41Å; N252-L369 VanDerWaalsContact CG-O 3.25Å; N252-L369 PolarHBondContact ND2-O 2.82Å; N252-L411 HydrophobicContact CB-CB 3.95Å; N252-L411 PolarHBondContact N-O 2.93Å; N252-H412 PolarHBondContact ND2-O 2.88Å; N252-H412 PolarHBondContact ND2-OXT 3.42Å | ||
| 253 | G | 87.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | 115.2 | -167.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N251 K292 N293 L411 | N251-G253 PolarHBondContact O-N 2.9Å; N251-G253 WeakPolarHBondContact OD1-CA 3.43Å; N251-G253 PolarHBondContact OD1-N 3.15Å; N251-G253 PolarHBondContact OD1-O 3.08Å; G253-K292 WeakPolarHBondContact CA-O 3.28Å; G253-N293 WeakPolarHBondContact CA-O 3.48Å; G253-L411 WeakPolarHBondContact O-CB 3.42Å; G253-L411 PolarHBondContact O-N 2.88Å | ||
| 254 | E | 91.5 | Very high | 76 | Confident | 43 Ų | 43 | 57.1 Ų | 57.1 | 20% | 0.201 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.9 | -178.4 | -67 | 163.2 | -95.7 | 0 | 0 | 110.6 | A291 K292 N293 T408 L409 | E254-A291 CarbonylContact O-C 3.52Å; E254-A291 WeakPolarHBondContact O-CA 3.15Å; E254-A291 WeakPolarHBondContact O-CB 3.37Å; E254-K292 HydrophobicContact CB-CG 3.96Å; E254-K292 PolarHBondContact N-O 3.34Å; E254-K292 PolarHBondContact O-N 3.32Å; E254-K292 WeakPolarHBondContact OE1-CE 3.42Å; E254-K292 IonicContact OE1-NZ 2.68Å; E254-K292 PolarHBondContact OE1-NZ 2.94Å; E254-K292 VanDerWaalsContact OE2-CE 3.25Å; E254-K292 WeakPolarHBondContact OE2-CE 3.35Å; E254-K292 IonicContact OE2-NZ 2.65Å; E254-K292 PolarHBondContact OE2-NZ 3.33Å; E254-N293 PolarHBondContact OE1-ND2 2.9Å; E254-T408 HydrophobicContact CB-CG2 3.93Å; E254-T408 HydrophobicContact CG-CG2 4.27Å; E254-L409 CarbonylContact C-O 3.51Å; E254-L409 VanDerWaalsContact CA-O 3.3Å; E254-L409 WeakPolarHBondContact CA-O 3.11Å |
| 255 | L | 94.6 | Very high | 77.1 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 117.9 | 176.3 | -175.2 | 68.4 | 0 | 0 | 0 | 109.6 | V257 V288 A291 V306 W333 L354 V356 L409 L411 | L255-V257 HydrophobicContact CD2-CG1 4.08Å; L255-V257 HydrophobicContact CG-CG1 3.91Å; L255-V288 HydrophobicContact CD1-CG1 3.96Å; L255-A291 HydrophobicContact CD1-CB 3.98Å; L255-V306 HydrophobicContact CD1-CG2 4.23Å; L255-V306 HydrophobicContact CD2-CG1 4.49Å; L255-W333 HydrophobicContact CD1-CZ3 3.78Å; L255-L354 HydrophobicContact CD2-CB 4.11Å; L255-L354 HydrophobicContact CD2-CD1 4.3Å; L255-V356 HydrophobicContact CD1-CG2 4.03Å; L255-V356 HydrophobicContact CD2-CG2 4.14Å; L255-L409 HydrophobicContact CB-CB 4.44Å; L255-L409 PolarHBondContact N-O 2.85Å; L255-L409 PolarHBondContact O-N 3.27Å; L255-L411 HydrophobicContact CB-CD1 4.28Å; L255-L411 HydrophobicContact CB-CD2 4.02Å; L255-L411 HydrophobicContact CB-CG 4.2Å; L255-L411 HydrophobicContact CD2-CD2 4.45Å |
| 256 | A | 95.3 | Very high | 77.9 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 124.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L289 G290 | A256-L289 HydrophobicContact CB-CB 4.22Å; A256-L289 HydrophobicContact CB-CD1 4.39Å; A256-L289 WeakPolarHBondContact O-CB 3.47Å; A256-L289 PolarHBondContact O-N 2.62Å; A256-G290 PolarHBondContact N-O 3.32Å |
| 257 | V | 96.1 | Very high | 78.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 157.6 | -179.3 | -54.1 | 0 | 0 | 0 | 0 | 111.9 | L255 L286 V287 L354 M407 L409 | L255-V257 HydrophobicContact CD2-CG1 4.08Å; L255-V257 HydrophobicContact CG-CG1 3.91Å; V257-L286 HydrophobicContact CB-CD1 3.98Å; V257-L286 HydrophobicContact CG2-CD1 4.1Å; V257-V287 CarbonylContact C-O 3.39Å; V257-V287 VanDerWaalsContact CA-O 3.32Å; V257-V287 WeakPolarHBondContact CA-O 3.37Å; V257-L354 HydrophobicContact CG1-CD1 4.29Å; V257-M407 HydrophobicContact CG2-CB 3.97Å; V257-M407 HydrophobicContact CG2-CE 3.69Å; V257-M407 PolarHBondContact N-O 2.93Å; V257-M407 PolarHBondContact O-N 2.99Å; V257-L409 HydrophobicContact CG1-CD1 4.33Å; V257-L409 HydrophobicContact CG2-CD1 3.93Å; V257-L409 HydrophobicContact CG2-CG 4.17Å |
| 258 | R | 95.4 | Very high | 78.8 | Confident | 95 Ų | 95 | 56.2 Ų | 56.2 | 36% | 0.358 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 123 | 175.5 | 162.1 | 176.7 | -68.2 | 178.9 | 0.9 | 108.7 | L286 V287 L289 W404 T405 D406 | R258-L286 CarbonylContact O-C 3.59Å; R258-L286 WeakPolarHBondContact O-CA 3.05Å; R258-V287 HydrophobicContact CB-CB 4.33Å; R258-V287 PolarHBondContact N-O 3.42Å; R258-V287 PolarHBondContact O-N 2.81Å; R258-L289 HydrophobicContact CB-CD1 4.37Å; R258-W404 HydrophobicContact CG-CB 4.15Å; R258-W404 HydrophobicContact CG-CD2 3.87Å; R258-W404 HydrophobicContact CG-CE3 3.35Å; R258-W404 HydrophobicContact CG-CG 4.25Å; R258-W404 HydrophobicContact CG-CZ3 3.96Å; R258-T405 WeakPolarHBondContact CA-O 3.21Å; R258-D406 WeakPolarHBondContact CB-OD1 3.26Å; R258-D406 VanDerWaalsContact CG-OD1 3.29Å; R258-D406 WeakPolarHBondContact CG-OD1 3.48Å; R258-D406 IonicContact CZ-OD1 3.47Å; R258-D406 IonicContact CZ-OD2 3.55Å; R258-D406 IonicContact NE-OD1 2.69Å; R258-D406 PolarHBondContact NE-OD1 3.49Å; R258-D406 IonicContact NE-OD2 3.53Å; R258-D406 IonicContact NH2-OD1 3.4Å; R258-D406 PolarHBondContact NH2-OD1 2.98Å; R258-D406 IonicContact NH2-OD2 2.72Å; R258-D406 PolarHBondContact NH2-OD2 2.86Å |
| 259 | A | 95.4 | Very high | 78.5 | Confident | 2 Ų | 2 | 60 Ų | 60 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 148.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C285 L286 V397 T405 M407 | A259-C285 CarbonylContact C-O 3.52Å; A259-C285 WeakPolarHBondContact CA-O 3.34Å; A259-L286 HydrophobicContact CB-CD1 3.77Å; A259-V397 HydrophobicContact CB-CG1 3.86Å; A259-V397 HydrophobicContact CB-CG2 3.73Å; A259-T405 PolarHBondContact N-O 3.28Å; A259-T405 PolarHBondContact O-N 3.01Å; A259-M407 HydrophobicContact CB-CE 3.56Å |
| 260 | K | 94 | Very high | 78.1 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 20% | 0.204 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 126.2 | 176.8 | 165.6 | 163.4 | 163.9 | 156.5 | 0 | 110.1 | V262 C285 N402 L403 W404 | K260-V262 HydrophobicContact CD-CG2 4.44Å; K260-V262 HydrophobicContact CG-CG2 4.05Å; K260-C285 PolarHBondContact N-O 3.41Å; K260-C285 PolarHBondContact O-N 2.83Å; K260-N402 WeakPolarHBondContact CE-O 3.47Å; K260-N402 PolarHBondContact NZ-O 2.84Å; K260-L403 WeakPolarHBondContact CA-O 3.17Å; K260-L403 WeakPolarHBondContact CB-O 3.45Å; K260-L403 VanDerWaalsContact CG-O 3.25Å; K260-L403 WeakPolarHBondContact CG-O 3.42Å; K260-W404 HydrophobicContact CB-CD2 3.7Å; K260-W404 HydrophobicContact CB-CE3 3.25Å; K260-W404 HydrophobicContact CB-CG 4.4Å; K260-W404 HydrophobicContact CB-CH2 4.2Å; K260-W404 HydrophobicContact CB-CZ3 3.54Å; K260-W404 HydrophobicContact CD-CD2 3.84Å; K260-W404 HydrophobicContact CD-CE3 4.26Å; K260-W404 HydrophobicContact CD-CG 4.18Å; K260-W404 HydrophobicContact CD-CZ2 4.24Å; K260-W404 HydrophobicContact CG-CD2 4.44Å; K260-W404 HydrophobicContact CG-CE3 4.38Å |
| 261 | L | 92.9 | Very high | 77.1 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 107.6 | 166 | 175.1 | 52.7 | 0 | 0 | 0 | 108.8 | L263 L347 L398 N402 | L261-L263 HydrophobicContact CD1-CD2 3.88Å; L261-L263 HydrophobicContact CD2-CD2 4.17Å; L261-L263 HydrophobicContact CD2-CG 4.45Å; L261-L263 HydrophobicContact CG-CD2 3.9Å; L261-L263 HydrophobicContact CG-CG 4.07Å; L261-L347 HydrophobicContact CD1-CD1 3.52Å; L261-L347 HydrophobicContact CD2-CD1 4.04Å; L261-L347 HydrophobicContact CG-CD1 4.36Å; L261-L398 HydrophobicContact CD2-CD2 3.88Å; L261-N402 PolarHBondContact O-N 2.65Å |
| 262 | V | 91.8 | Very high | 75.5 | Confident | 36 Ų | 36 | 72.9 Ų | 72.9 | 22% | 0.218 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 123.1 | 170.6 | -173.2 | 0 | 0 | 0 | 0 | 108.4 | K260 G282 Q283 N402 | K260-V262 HydrophobicContact CD-CG2 4.44Å; K260-V262 HydrophobicContact CG-CG2 4.05Å; V262-G282 CarbonylContact O-C 3.54Å; V262-G282 WeakPolarHBondContact O-CA 3.48Å; V262-Q283 HydrophobicContact CB-CB 4.21Å; V262-Q283 PolarHBondContact N-O 3.13Å; V262-Q283 PolarHBondContact O-N 2.69Å; V262-N402 WeakPolarHBondContact CA-OD1 3.38Å |
| 263 | L | 87.3 | Confident | 73.4 | Confident | 37 Ų | 37 | 76.6 Ų | 76.6 | 19% | 0.194 | 42% | 0.42 | C | S | . | . | trans | -114.8 | 135 | 169.7 | -61.6 | -179.3 | 0 | 0 | 0 | 108.9 | L261 A265 P401 N402 | L261-L263 HydrophobicContact CD1-CD2 3.88Å; L261-L263 HydrophobicContact CD2-CD2 4.17Å; L261-L263 HydrophobicContact CD2-CG 4.45Å; L261-L263 HydrophobicContact CG-CD2 3.9Å; L261-L263 HydrophobicContact CG-CG 4.07Å; L263-A265 PolarHBondContact O-N 2.71Å; L263-P401 HydrophobicContact CD1-CB 3.74Å; L263-P401 HydrophobicContact CD1-CG 4.39Å; L263-P401 HydrophobicContact CG-CB 4.12Å; L263-N402 PolarHBondContact N-OD1 3.31Å; L263-N402 VanDerWaalsContact N-OD1 3.12Å; L263-N402 PolarHBondContact O-ND2 2.78Å | ||
| 264 | P | 80.9 | Confident | 71 | Confident | 64 Ų | 64 | 85.5 Ų | 85.5 | 42% | 0.416 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 134.3 | 173.8 | 26.4 | -34.2 | 0 | 0 | 0 | 109.5 | G266 L280 | P264-G266 PolarHBondContact O-N 2.72Å; P264-L280 HydrophobicContact CG-CB 4.27Å; P264-L280 HydrophobicContact CG-CD2 4.28Å |
| 265 | A | 66.9 | Low | 68.1 | Low | 90 Ų | 90 | 93.5 Ų | 93.5 | 74% | 0.744 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 127.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | L263 | L263-A265 PolarHBondContact O-N 2.71Š|
| 266 | G | 63.1 | Low | 65.3 | Low | 41 Ų | 41 | 95.9 Ų | 95.9 | 42% | 0.423 | 52% | 0.524 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 158.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P264 R268 | P264-G266 PolarHBondContact O-N 2.72Å; G266-R268 PolarHBondContact O-N 2.99Å |
| 267 | P | 52.8 | Low | 62.5 | Low | 121 Ų | 121 | 104 Ų | 104 | 79% | 0.786 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 126.7 | -179.7 | 23.9 | -33.6 | 0 | 0 | 0 | 110.6 | K269 | P267-K269 PolarHBondContact O-N 3.12Š|
| 268 | R | 50.8 | Low | 60 | Low | 247 Ų | 247 | 111.7 Ų | 111.7 | 93% | 0.932 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -74 | 20.1 | -177.3 | -67.6 | -179.3 | 173.2 | 168.5 | -3.7 | 114 | G266 | G266-R268 PolarHBondContact O-N 2.99Š|
| 269 | K | 43.4 | Very low | 58 | Low | 159 Ų | 159 | 109.8 Ų | 109.8 | 69% | 0.691 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -141.2 | 123.5 | 177.6 | -71.8 | -171 | 174.7 | -173.7 | 0 | 109.3 | P267 Q271 | P267-K269 PolarHBondContact O-N 3.12Å; K269-Q271 VanDerWaalsContact C-N 3.27Å; K269-Q271 PolarHBondContact O-N 3.22Å; K269-Q271 VanDerWaalsContact O-N 3.07Å |
| 270 | P | 42.2 | Very low | 56.5 | Low | 134 Ų | 134 | 114.4 Ų | 114.4 | 87% | 0.87 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -84.8 | 67.3 | 176.9 | 35.1 | -34.7 | 0 | 0 | 0 | 111 | ||
| 271 | Q | 40.4 | Very low | 55.9 | Low | 164 Ų | 164 | 117.1 Ų | 117.1 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -146.8 | 147 | 171.9 | -96.4 | 151.9 | 13.6 | 0 | 0 | 107.5 | K269 | K269-Q271 VanDerWaalsContact C-N 3.27Å; K269-Q271 PolarHBondContact O-N 3.22Å; K269-Q271 VanDerWaalsContact O-N 3.07Å |
| 272 | E | 39.9 | Very low | 55.6 | Low | 199 Ų | 199 | 117.1 Ų | 117.1 | 93% | 0.93 | 64% | 0.642 | S | S | * | * | trans | 63.7 | 31.5 | -174.4 | -56.2 | -174.6 | 165.4 | 0 | 0 | 116 | Q274 | E272-Q274 PolarHBondContact O-N 3.47Š| ||
| 273 | A | 38.7 | Very low | 55.6 | Low | 95 Ų | 95 | 119.2 Ų | 119.2 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | trans | -82.7 | 81.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 274 | Q | 38 | Very low | 55.9 | Low | 187 Ų | 187 | 117.5 Ų | 117.5 | 87% | 0.874 | 64% | 0.64 | S | S | * | * | trans | -66.1 | 139.2 | 173.5 | -154.6 | 172.5 | 59.1 | 0 | 0 | 109.8 | E272 G276 | E272-Q274 PolarHBondContact O-N 3.47Å; Q274-G276 VanDerWaalsContact C-N 3.32Å; Q274-G276 PolarHBondContact O-N 3.05Å | ||
| 275 | E | 31.2 | Very low | 56.6 | Low | 210 Ų | 210 | 115.5 Ų | 115.5 | 98% | 0.981 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -71.7 | 79.5 | -170.6 | -67.6 | -172.5 | 113.5 | 0 | 0 | 113.2 | ||
| 276 | G | 35.1 | Very low | 57.9 | Low | 51 Ų | 51 | 111.3 Ų | 111.3 | 53% | 0.526 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -145.8 | 133.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q274 L278 | Q274-G276 VanDerWaalsContact C-N 3.32Å; Q274-G276 PolarHBondContact O-N 3.05Å; G276-L278 PolarHBondContact O-N 3.17Å |
| 277 | Q | 37.1 | Very low | 59.6 | Low | 203 Ų | 203 | 110.3 Ų | 110.3 | 95% | 0.949 | 58% | 0.578 | S | S | * | * | trans | -74.1 | 70.9 | -174 | -66.1 | 180 | -4.4 | 0 | 0 | 112.4 | A279 | Q277-A279 VanDerWaalsContact C-N 3.27Å; Q277-A279 PolarHBondContact O-N 2.83Å | ||
| 278 | L | 42 | Very low | 61.6 | Low | 162 Ų | 162 | 104.6 Ų | 104.6 | 85% | 0.848 | 54% | 0.541 | S | S | * | . | trans | -66.4 | 86.3 | 169.2 | -75.7 | 169.8 | 0 | 0 | 0 | 109.6 | G276 L280 | G276-L278 PolarHBondContact O-N 3.17Å; L278-L280 PolarHBondContact O-N 3.44Å | ||
| 279 | A | 54.6 | Low | 63.8 | Low | 55 Ų | 55 | 95.5 Ų | 95.5 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | trans | -56.2 | 108.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q277 N281 | Q277-A279 VanDerWaalsContact C-N 3.27Å; Q277-A279 PolarHBondContact O-N 2.83Å; A279-N281 PolarHBondContact O-N 2.85Å | ||
| 280 | L | 64 | Low | 66.2 | Low | 99 Ų | 99 | 88.4 Ų | 88.4 | 52% | 0.518 | 48% | 0.482 | S | S | . | . | trans | -57.4 | 105 | -175.9 | -69.5 | 174.1 | 0 | 0 | 0 | 110.3 | P264 L278 G282 | P264-L280 HydrophobicContact CG-CB 4.27Å; P264-L280 HydrophobicContact CG-CD2 4.28Å; L278-L280 PolarHBondContact O-N 3.44Å; L280-G282 PolarHBondContact O-N 3.37Å; L280-G282 VanDerWaalsContact O-N 3.16Å | ||
| 281 | N | 80.3 | Confident | 68.7 | Low | 105 Ų | 105 | 82.4 Ų | 82.4 | 56% | 0.561 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 108.6 | -179.5 | -78.5 | -29.8 | 0 | 0 | 0 | 109.3 | A279 | A279-N281 PolarHBondContact O-N 2.85Å |
| 282 | G | 86.9 | Confident | 71.1 | Confident | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.01 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -174.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | V262 L280 G341 V342 | V262-G282 CarbonylContact O-C 3.54Å; V262-G282 WeakPolarHBondContact O-CA 3.48Å; L280-G282 PolarHBondContact O-N 3.37Å; L280-G282 VanDerWaalsContact O-N 3.16Å; G282-G341 PolarHBondContact O-N 3.45Å; G282-V342 CarbonylContact C-O 3.58Å; G282-V342 WeakPolarHBondContact CA-O 3.34Å; G282-V342 PolarHBondContact N-O 3.26Å; G282-V342 PolarHBondContact O-N 3.38Å; G282-V342 VanDerWaalsContact O-N 3.15Å |
| 283 | Q | 92 | Very high | 73.3 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.9 | 170.7 | -51.8 | 174.3 | -73.7 | 0 | 0 | 108.8 | V262 V338 F339 N340 | V262-Q283 HydrophobicContact CB-CB 4.21Å; V262-Q283 PolarHBondContact N-O 3.13Å; V262-Q283 PolarHBondContact O-N 2.69Å; Q283-V338 HydrophobicContact CB-CG1 4.12Å; Q283-F339 CarbonylContact C-O 3.58Å; Q283-F339 VanDerWaalsContact CA-O 3.3Å; Q283-F339 WeakPolarHBondContact CA-O 3.45Å; Q283-N340 PolarHBondContact NE2-OD1 3.36Å |
| 284 | L | 93.9 | Very high | 75.6 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 107.5 | 168.3 | 178.3 | 67.1 | 0 | 0 | 0 | 108.7 | L310 V338 F339 V342 L347 W394 V397 | L284-L310 HydrophobicContact CD2-CD2 4.3Å; L284-V338 WeakPolarHBondContact O-CA 3.41Å; L284-F339 HydrophobicContact CB-CB 4.29Å; L284-F339 HydrophobicContact CB-CD2 4.24Å; L284-F339 HydrophobicContact CD2-CD2 4Å; L284-F339 HydrophobicContact CD2-CE2 4.5Å; L284-F339 HydrophobicContact CG-CD2 4.24Å; L284-F339 PolarHBondContact N-O 2.88Å; L284-F339 PolarHBondContact O-N 2.84Å; L284-V342 HydrophobicContact CB-CG2 4.11Å; L284-L347 HydrophobicContact CB-CD1 4.47Å; L284-L347 HydrophobicContact CD2-CD2 4.16Å; L284-W394 HydrophobicContact CD2-CH2 3.64Å; L284-W394 HydrophobicContact CD2-CZ3 4.07Å; L284-V397 HydrophobicContact CD1-CG1 4.09Å |
| 285 | C | 94.8 | Very high | 77.9 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 15% | 0.149 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.2 | 174.1 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | A259 K260 W404 | A259-C285 CarbonylContact C-O 3.52Å; A259-C285 WeakPolarHBondContact CA-O 3.34Å; K260-C285 PolarHBondContact N-O 3.41Å; K260-C285 PolarHBondContact O-N 2.83Å; C285-W404 HydrophobicContact CB-CH2 3.94Å; C285-W404 HydrophobicContact CB-CZ3 4.14Å |
| 286 | L | 95.9 | Very high | 80.4 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 117.7 | 177 | -178.2 | 76.5 | 0 | 0 | 0 | 109.9 | V257 R258 A259 V288 S336 F337 L352 L354 | V257-L286 HydrophobicContact CB-CD1 3.98Å; V257-L286 HydrophobicContact CG2-CD1 4.1Å; R258-L286 CarbonylContact O-C 3.59Å; R258-L286 WeakPolarHBondContact O-CA 3.05Å; A259-L286 HydrophobicContact CB-CD1 3.77Å; L286-V288 HydrophobicContact CD2-CG2 4.36Å; L286-S336 WeakPolarHBondContact O-CA 3.42Å; L286-F337 HydrophobicContact CB-CB 4.49Å; L286-F337 HydrophobicContact CD2-CD2 4.27Å; L286-F337 PolarHBondContact N-O 3.12Å; L286-F337 PolarHBondContact O-N 3.35Å; L286-L352 HydrophobicContact CD2-CD2 4.13Å; L286-L354 HydrophobicContact CD2-CD1 3.99Å; L286-L354 HydrophobicContact CD2-CD2 3.62Å; L286-L354 HydrophobicContact CD2-CG 4.42Å |
| 287 | V | 96.7 | Very high | 82.6 | Confident | 21 Ų | 21 | 48 Ų | 48 | 13% | 0.127 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 117.4 | 171.3 | -169.3 | 0 | 0 | 0 | 0 | 108.7 | V257 R258 L289 H335 W404 | V257-V287 CarbonylContact C-O 3.39Å; V257-V287 VanDerWaalsContact CA-O 3.32Å; V257-V287 WeakPolarHBondContact CA-O 3.37Å; R258-V287 HydrophobicContact CB-CB 4.33Å; R258-V287 PolarHBondContact N-O 3.42Å; R258-V287 PolarHBondContact O-N 2.81Å; V287-L289 HydrophobicContact CB-CD2 4.44Å; V287-L289 HydrophobicContact CG1-CD2 3.85Å; V287-L289 PolarHBondContact O-N 3.13Å; V287-H335 WeakPolarHBondContact CA-O 3.49Å; V287-W404 HydrophobicContact CG2-CH2 3.82Å; V287-W404 HydrophobicContact CG2-CZ3 3.97Å |
| 288 | V | 96.5 | Very high | 84.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 106.8 | 171.6 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | L255 L286 V306 W333 K334 H335 F337 | L255-V288 HydrophobicContact CD1-CG1 3.96Å; L286-V288 HydrophobicContact CD2-CG2 4.36Å; V288-V306 HydrophobicContact CG1-CB 4.33Å; V288-V306 HydrophobicContact CG1-CG1 4.48Å; V288-V306 HydrophobicContact CG1-CG2 3.9Å; V288-V306 HydrophobicContact CG2-CG1 4.48Å; V288-W333 HydrophobicContact CG1-CD2 4.46Å; V288-W333 HydrophobicContact CG1-CE3 3.77Å; V288-W333 HydrophobicContact CG1-CZ3 4.34Å; V288-K334 CarbonylContact O-C 3.58Å; V288-K334 VanDerWaalsContact O-CA 3.25Å; V288-K334 WeakPolarHBondContact O-CA 3.3Å; V288-K334 PolarHBondContact O-N 2.89Å; V288-H335 PolarHBondContact N-O 2.94Å; V288-H335 PolarHBondContact O-N 2.97Å; V288-F337 HydrophobicContact CG2-CD2 3.99Å; V288-F337 HydrophobicContact CG2-CE2 3.74Å |
| 289 | L | 95.9 | Very high | 86.1 | Confident | 56 Ų | 56 | 37 Ų | 37 | 29% | 0.293 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -53.2 | -171.1 | -58.5 | 171 | 0 | 0 | 0 | 110.9 | A256 R258 V287 Q332 W333 K334 | A256-L289 HydrophobicContact CB-CB 4.22Å; A256-L289 HydrophobicContact CB-CD1 4.39Å; A256-L289 WeakPolarHBondContact O-CB 3.47Å; A256-L289 PolarHBondContact O-N 2.62Å; R258-L289 HydrophobicContact CB-CD1 4.37Å; V287-L289 HydrophobicContact CB-CD2 4.44Å; V287-L289 HydrophobicContact CG1-CD2 3.85Å; V287-L289 PolarHBondContact O-N 3.13Å; L289-Q332 CarbonylContact O-C 3.57Å; L289-Q332 WeakPolarHBondContact O-CA 3.5Å; L289-W333 PolarHBondContact O-N 3.22Å; L289-K334 PolarHBondContact O-N 2.94Å; L289-K334 VanDerWaalsContact O-N 3.09Å |
| 290 | G | 95 | Very high | 87.2 | Confident | 10 Ų | 10 | 35 Ų | 35 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A256 P331 | A256-G290 PolarHBondContact N-O 3.32Å; G290-P331 CarbonylContact C-O 3.57Å; G290-P331 WeakPolarHBondContact CA-O 3.36Å |
| 291 | A | 94.1 | Very high | 88.1 | Confident | 9 Ų | 9 | 31.6 Ų | 31.6 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | E254 L255 L294 P331 W333 | E254-A291 CarbonylContact O-C 3.52Å; E254-A291 WeakPolarHBondContact O-CA 3.15Å; E254-A291 WeakPolarHBondContact O-CB 3.37Å; L255-A291 HydrophobicContact CD1-CB 3.98Å; A291-L294 HydrophobicContact CB-CD1 3.85Å; A291-L294 HydrophobicContact CB-CD2 4.1Å; A291-L294 HydrophobicContact CB-CG 3.99Å; A291-P331 HydrophobicContact CB-CG 4.28Å; A291-P331 PolarHBondContact N-O 2.94Å; A291-W333 HydrophobicContact CB-CH2 3.96Å; A291-W333 HydrophobicContact CB-CZ3 3.74Å |
| 292 | K | 90 | Very high | 88.5 | Confident | 97 Ų | 97 | 26.6 Ų | 26.6 | 42% | 0.422 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 164.4 | 176.3 | 59.9 | 178.9 | 168.3 | 113.8 | 0 | 110.5 | G253 E254 L294 | G253-K292 WeakPolarHBondContact CA-O 3.28Å; E254-K292 HydrophobicContact CB-CG 3.96Å; E254-K292 PolarHBondContact N-O 3.34Å; E254-K292 PolarHBondContact O-N 3.32Å; E254-K292 WeakPolarHBondContact OE1-CE 3.42Å; E254-K292 IonicContact OE1-NZ 2.68Å; E254-K292 PolarHBondContact OE1-NZ 2.94Å; E254-K292 VanDerWaalsContact OE2-CE 3.25Å; E254-K292 WeakPolarHBondContact OE2-CE 3.35Å; E254-K292 IonicContact OE2-NZ 2.65Å; E254-K292 PolarHBondContact OE2-NZ 3.33Å; K292-L294 PolarHBondContact O-N 3.19Å; K292-L294 VanDerWaalsContact O-N 3.08Å |
| 293 | N | 85.6 | Confident | 88.8 | Confident | 36 Ų | 36 | 27.3 Ų | 27.3 | 19% | 0.193 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 58.5 | 20.1 | 177 | -59.3 | -24.1 | 0 | 0 | 0 | 115 | R194 G253 E254 | R194-N293 PolarHBondContact NH2-O 2.76Å; G253-N293 WeakPolarHBondContact CA-O 3.48Å; E254-N293 PolarHBondContact OE1-ND2 2.9Å |
| 294 | L | 88.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -65 | 147.2 | 176.1 | -65.6 | 179.5 | 0 | 0 | 0 | 111.7 | Q190 R194 A291 K292 V296 L302 P331 V356 L369 L411 | Q190-L294 PolarHBondContact NE2-O 3.33Å; Q190-L294 PolarHBondContact OE1-O 2.91Å; R194-L294 PolarHBondContact NH2-O 2.75Å; A291-L294 HydrophobicContact CB-CD1 3.85Å; A291-L294 HydrophobicContact CB-CD2 4.1Å; A291-L294 HydrophobicContact CB-CG 3.99Å; K292-L294 PolarHBondContact O-N 3.19Å; K292-L294 VanDerWaalsContact O-N 3.08Å; L294-V296 PolarHBondContact O-N 3.4Å; L294-L302 HydrophobicContact CB-CD1 3.89Å; L294-L302 HydrophobicContact CD1-CD1 3.8Å; L294-P331 HydrophobicContact CD1-CG 3.82Å; L294-V356 HydrophobicContact CD1-CG1 4.18Å; L294-V356 HydrophobicContact CD2-CG1 4.24Å; L294-L369 HydrophobicContact CD1-CD1 4.07Å; L294-L411 HydrophobicContact CD2-CD1 3.48Å; L294-L411 VanDerWaalsContact CD2-CD1 3.48Å | ||
| 295 | P | 85.5 | Confident | 89 | Confident | 9 Ų | 9 | 23.5 Ų | 23.5 | 6% | 0.058 | 13% | 0.134 | C | C | . | . | trans | -66.6 | 102.5 | 166.5 | 25.6 | -30.4 | 0 | 0 | 0 | 109.6 | D158 N252 R367 L369 | D158-P295 HydrophobicContact CB-CB 4.13Å; N252-P295 WeakPolarHBondContact O-CD 3.2Å; P295-R367 PolarHBondContact O-NH2 2.97Å; P295-L369 HydrophobicContact CG-CB 4.37Å; P295-L369 HydrophobicContact CG-CD2 4.24Å; P295-L369 WeakPolarHBondContact O-CD2 3.44Å | ||
| 296 | V | 84.2 | Confident | 89.1 | Confident | 16 Ų | 16 | 22.4 Ų | 22.4 | 10% | 0.097 | 13% | 0.127 | C | C | . | . | trans | -72.4 | 176.3 | 176.6 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | L294 L302 A329 R367 | L294-V296 PolarHBondContact O-N 3.4Å; V296-L302 HydrophobicContact CB-CG 4.42Å; V296-L302 HydrophobicContact CG1-CD1 4.14Å; V296-L302 HydrophobicContact CG1-CG 4.28Å; V296-A329 HydrophobicContact CG1-CB 4.1Å; V296-R367 VanDerWaalsContact C-NH2 3.3Å; V296-R367 PolarHBondContact O-NH2 3.46Å | ||
| 297 | R | 81.3 | Confident | 89.1 | Confident | 24 Ų | 24 | 25.3 Ų | 25.3 | 9% | 0.091 | 14% | 0.139 | C | C | . | . | trans | -84.8 | 179.5 | 170.3 | -69.4 | 166.4 | 176 | 170.1 | -4 | 111.8 | D299 G300 T301 L302 N303 D358 Q359 | R297-D299 VanDerWaalsContact CB-OD1 3.24Å; R297-D299 WeakPolarHBondContact CB-OD1 3.27Å; R297-D299 PolarHBondContact O-N 3.3Å; R297-G300 PolarHBondContact O-N 2.81Å; R297-T301 VanDerWaalsContact CB-O 3.23Å; R297-T301 WeakPolarHBondContact CB-O 3.42Å; R297-T301 WeakPolarHBondContact CD-O 3.4Å; R297-T301 WeakPolarHBondContact CG-O 3.18Å; R297-T301 PolarHBondContact N-O 2.85Å; R297-L302 HydrophobicContact CG-CD2 4.29Å; R297-N303 PolarHBondContact NH1-ND2 2.55Å; R297-D358 IonicContact CZ-OD1 3.11Å; R297-D358 IonicContact CZ-OD2 3.13Å; R297-D358 IonicContact NE-OD1 2.65Å; R297-D358 PolarHBondContact NE-OD1 2.89Å; R297-D358 IonicContact NE-OD2 2.71Å; R297-D358 PolarHBondContact NE-OD2 2.74Å; R297-D358 IonicContact NH1-OD1 3.86Å; R297-D358 IonicContact NH2-OD1 3.04Å; R297-D358 PolarHBondContact NH2-OD1 2.89Å; R297-D358 IonicContact NH2-OD2 2.69Å; R297-D358 PolarHBondContact NH2-OD2 2.87Å; R297-Q359 PolarHBondContact NH2-O 3.28Å | ||
| 298 | S | 73.5 | Confident | 89.1 | Confident | 48 Ų | 48 | 24.4 Ų | 24.4 | 34% | 0.336 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -28.5 | 174.6 | 44.9 | 0 | 0 | 0 | 0 | 115.5 | R165 G300 | R165-S298 VanDerWaalsContact NH2-CA 3.34Å; R165-S298 VanDerWaalsContact NH2-CB 3.3Å; S298-G300 VanDerWaalsContact C-N 3.32Å |
| 299 | D | 78.1 | Confident | 89 | Confident | 86 Ų | 86 | 24.6 Ų | 24.6 | 46% | 0.46 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 0.7 | 175.9 | 70.1 | -22.1 | 0 | 0 | 0 | 113.3 | R297 T301 | R297-D299 VanDerWaalsContact CB-OD1 3.24Å; R297-D299 WeakPolarHBondContact CB-OD1 3.27Å; R297-D299 PolarHBondContact O-N 3.3Å; D299-T301 VanDerWaalsContact C-N 3.31Å; D299-T301 VanDerWaalsContact CG-OG1 3.31Å; D299-T301 PolarHBondContact OD1-N 3.15Å; D299-T301 PolarHBondContact OD1-OG1 2.71Å; D299-T301 PolarHBondContact OD2-OG1 3.26Å |
| 300 | G | 77.6 | Confident | 89 | Confident | 15 Ų | 15 | 22 Ų | 22 | 16% | 0.155 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 80.9 | 2.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | R297 S298 A329 | R297-G300 PolarHBondContact O-N 2.81Å; S298-G300 VanDerWaalsContact C-N 3.32Å; G300-A329 WeakPolarHBondContact O-CB 3.48Å |
| 301 | T | 84.6 | Confident | 88.9 | Confident | 27 Ų | 27 | 22.7 Ų | 22.7 | 17% | 0.166 | 12% | 0.124 | C | C | . | . | trans | -117.1 | 169.3 | -173.6 | 90.2 | 0 | 0 | 0 | 0 | 113.7 | R297 D299 K327 | R297-T301 VanDerWaalsContact CB-O 3.23Å; R297-T301 WeakPolarHBondContact CB-O 3.42Å; R297-T301 WeakPolarHBondContact CD-O 3.4Å; R297-T301 WeakPolarHBondContact CG-O 3.18Å; R297-T301 PolarHBondContact N-O 2.85Å; D299-T301 VanDerWaalsContact C-N 3.31Å; D299-T301 VanDerWaalsContact CG-OG1 3.31Å; D299-T301 PolarHBondContact OD1-N 3.15Å; D299-T301 PolarHBondContact OD1-OG1 2.71Å; D299-T301 PolarHBondContact OD2-OG1 3.26Å; T301-K327 HydrophobicContact CG2-CB 4.46Å | ||
| 302 | L | 88.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 152.6 | 173.8 | -64.4 | 165.5 | 0 | 0 | 0 | 110.6 | L294 V296 R297 K326 K327 Q328 D358 L369 | L294-L302 HydrophobicContact CB-CD1 3.89Å; L294-L302 HydrophobicContact CD1-CD1 3.8Å; V296-L302 HydrophobicContact CB-CG 4.42Å; V296-L302 HydrophobicContact CG1-CD1 4.14Å; V296-L302 HydrophobicContact CG1-CG 4.28Å; R297-L302 HydrophobicContact CG-CD2 4.29Å; L302-K326 CarbonylContact O-C 3.4Å; L302-K327 WeakPolarHBondContact O-CA 3.48Å; L302-K327 PolarHBondContact O-N 3.3Å; L302-Q328 VanDerWaalsContact CB-O 3.31Å; L302-Q328 WeakPolarHBondContact CB-O 3.37Å; L302-Q328 PolarHBondContact N-O 3.01Å; L302-Q328 PolarHBondContact O-N 3.38Å; L302-D358 HydrophobicContact CD2-CB 3.95Å; L302-L369 HydrophobicContact CD1-CD1 3.62Å; L302-L369 HydrophobicContact CD2-CD1 3.9Å; L302-L369 HydrophobicContact CD2-CD2 3.96Å; L302-L369 HydrophobicContact CG-CD1 4.3Å |
| 303 | N | 91.7 | Very high | 88.7 | Confident | 16 Ų | 16 | 20.2 Ų | 20.2 | 9% | 0.086 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 61.7 | 163.4 | -67 | -27.3 | 0 | 0 | 0 | 109.1 | R297 V324 L325 K326 K327 D358 Q359 | R297-N303 PolarHBondContact NH1-ND2 2.55Å; N303-V324 HydrophobicContact CB-CG1 4.14Å; N303-V324 WeakPolarHBondContact O-CG1 3.28Å; N303-L325 CarbonylContact C-O 3.54Å; N303-L325 VanDerWaalsContact CA-O 3.26Å; N303-L325 WeakPolarHBondContact CA-O 3.37Å; N303-K326 WeakPolarHBondContact OD1-CA 3.16Å; N303-K327 PolarHBondContact OD1-N 2.91Å; N303-D358 PolarHBondContact N-OD1 3.43Å; N303-Q359 HydrophobicContact CB-CB 3.93Å; N303-Q359 WeakPolarHBondContact CB-O 3.41Å; N303-Q359 PolarHBondContact ND2-O 3.19Å; N303-Q359 WeakPolarHBondContact O-CB 3.47Å; N303-Q359 PolarHBondContact O-N 3.31Å |
| 304 | S | 94.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 142.6 | -161.8 | 67.9 | 0 | 0 | 0 | 0 | 114.9 | L325 P331 W333 W357 | S304-L325 PolarHBondContact N-O 3.3Å; S304-L325 PolarHBondContact O-N 3Å; S304-P331 WeakPolarHBondContact OG-CB 3.23Å; S304-P331 WeakPolarHBondContact OG-CG 3.49Å; S304-W333 PolarHBondContact O-NE1 2.86Å; S304-W333 VanDerWaalsContact O-NE1 3.07Å; S304-W333 WeakPolarHBondContact OG-CZ2 3.41Å; S304-W357 CarbonylContact C-O 3.53Å; S304-W357 WeakPolarHBondContact CA-O 3.43Å |
| 305 | F | 96.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 160.8 | 169.3 | 66.2 | -99.7 | 0 | 0 | 0 | 111.3 | K307 K321 V324 W357 Q359 D366 | F305-K307 HydrophobicContact CD2-CG 4.24Å; F305-K307 HydrophobicContact CE2-CD 4.06Å; F305-K307 VanDerWaalsContact CE2-CE 3.5Å; F305-K307 HydrophobicContact CE2-CG 3.83Å; F305-K321 HydrophobicContact CD2-CD 4.24Å; F305-K321 HydrophobicContact CD2-CG 4.02Å; F305-K321 HydrophobicContact CE2-CD 4.34Å; F305-K321 VanDerWaalsContact CE2-CE 3.48Å; F305-K321 HydrophobicContact CE2-CG 4.44Å; F305-V324 HydrophobicContact CB-CG2 4.08Å; F305-V324 HydrophobicContact CD1-CG1 4.34Å; F305-V324 HydrophobicContact CD1-CG2 3.84Å; F305-V324 HydrophobicContact CG-CG2 4.27Å; F305-W357 HydrophobicContact CD1-CB 4.31Å; F305-W357 HydrophobicContact CD2-CB 3.94Å; F305-W357 HydrophobicContact CD2-CG 4.36Å; F305-W357 HydrophobicContact CE1-CB 3.82Å; F305-W357 HydrophobicContact CE2-CB 3.36Å; F305-W357 AromaticContact CE2-CD1 3.65Å; F305-W357 HydrophobicContact CE2-CD2 4.45Å; F305-W357 AromaticContact CE2-CG 3.53Å; F305-W357 HydrophobicContact CE2-CG 3.53Å; F305-W357 HydrophobicContact CG-CB 4.38Å; F305-W357 HydrophobicContact CZ-CB 3.31Å; F305-W357 HydrophobicContact CZ-CD2 4.43Å; F305-W357 AromaticContact CZ-CG 3.74Å; F305-W357 HydrophobicContact CZ-CG 3.74Å; F305-W357 PolarHBondContact N-O 2.89Å; F305-W357 PolarHBondContact O-N 3.02Å; F305-Q359 HydrophobicContact CD1-CB 4.03Å; F305-Q359 HydrophobicContact CE1-CB 3.88Å; F305-D366 WeakPolarHBondContact CE1-OD2 3.18Å; F305-D366 HydrophobicContact CZ-CB 4.36Å; F305-D366 WeakPolarHBondContact CZ-OD2 3.43Å |
| 306 | V | 97 | Very high | 89.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.4 | 174.5 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | L255 V288 K321 S322 W333 F337 T355 V356 | L255-V306 HydrophobicContact CD1-CG2 4.23Å; L255-V306 HydrophobicContact CD2-CG1 4.49Å; V288-V306 HydrophobicContact CG1-CB 4.33Å; V288-V306 HydrophobicContact CG1-CG1 4.48Å; V288-V306 HydrophobicContact CG1-CG2 3.9Å; V288-V306 HydrophobicContact CG2-CG1 4.48Å; V306-K321 WeakPolarHBondContact O-CA 3.35Å; V306-S322 PolarHBondContact N-OG 2.85Å; V306-S322 PolarHBondContact O-N 3.45Å; V306-W333 HydrophobicContact CG2-CD2 4Å; V306-W333 HydrophobicContact CG2-CE3 3.85Å; V306-W333 HydrophobicContact CG2-CH2 3.56Å; V306-W333 HydrophobicContact CG2-CZ2 3.7Å; V306-W333 HydrophobicContact CG2-CZ3 3.64Å; V306-F337 HydrophobicContact CG1-CE2 4.42Å; V306-T355 WeakPolarHBondContact CA-O 3Å; V306-V356 HydrophobicContact CG2-CG1 4.36Å; V306-V356 HydrophobicContact CG2-CG2 4.14Å |
| 307 | K | 96.9 | Very high | 89.6 | Confident | 62 Ų | 62 | 38.5 Ų | 38.5 | 27% | 0.27 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 134.5 | 164.2 | -71.2 | 169.9 | -171.2 | 132.6 | 0 | 108.4 | F305 V320 K321 T355 W357 | F305-K307 HydrophobicContact CD2-CG 4.24Å; F305-K307 HydrophobicContact CE2-CD 4.06Å; F305-K307 VanDerWaalsContact CE2-CE 3.5Å; F305-K307 HydrophobicContact CE2-CG 3.83Å; K307-V320 CarbonylContact C-O 3.44Å; K307-V320 WeakPolarHBondContact CA-O 3.48Å; K307-K321 HydrophobicContact CG-CB 4.44Å; K307-K321 HydrophobicContact CG-CG 4.1Å; K307-T355 PolarHBondContact N-O 2.87Å; K307-T355 PolarHBondContact O-N 2.75Å; K307-W357 VanDerWaalsContact NZ-CE2 3.31Å |
| 308 | G | 95.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 140.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R319 V320 E353 | G308-R319 WeakPolarHBondContact O-CA 3.39Å; G308-V320 PolarHBondContact N-O 3.04Å; G308-V320 WeakPolarHBondContact O-CG2 3.17Å; G308-V320 PolarHBondContact O-N 3.2Å; G308-E353 CarbonylContact C-O 3.59Å; G308-E353 WeakPolarHBondContact CA-O 3.25Å |
| 309 | C | 95.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.034 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 103.6 | 177.7 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | L318 E353 | C309-L318 CarbonylContact C-O 3.56Å; C309-L318 WeakPolarHBondContact CA-O 3.38Å; C309-E353 HydrophobicContact CB-CB 4.26Å; C309-E353 PolarHBondContact N-O 2.65Å; C309-E353 PolarHBondContact O-N 2.84Å |
| 310 | L | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 112.6 | 171.8 | -179.4 | 64.9 | 0 | 0 | 0 | 108.5 | L284 L312 K317 L318 F339 V342 L347 L352 W394 | L284-L310 HydrophobicContact CD2-CD2 4.3Å; L310-L312 HydrophobicContact CD2-CD2 3.98Å; L310-L312 HydrophobicContact CG-CD2 4.05Å; L310-K317 WeakPolarHBondContact O-CA 3.27Å; L310-L318 HydrophobicContact CB-CB 4.42Å; L310-L318 PolarHBondContact N-O 3.15Å; L310-L318 PolarHBondContact O-N 2.98Å; L310-F339 HydrophobicContact CB-CD1 3.83Å; L310-F339 HydrophobicContact CB-CD2 4.45Å; L310-F339 HydrophobicContact CB-CE1 3.71Å; L310-F339 HydrophobicContact CB-CE2 4.34Å; L310-F339 HydrophobicContact CB-CG 4.19Å; L310-F339 HydrophobicContact CB-CZ 3.97Å; L310-F339 HydrophobicContact CD2-CB 3.84Å; L310-F339 HydrophobicContact CD2-CD1 4.14Å; L310-F339 HydrophobicContact CD2-CD2 4.18Å; L310-F339 HydrophobicContact CD2-CG 3.8Å; L310-V342 HydrophobicContact CD2-CG1 4.03Å; L310-L347 HydrophobicContact CD1-CD2 4.24Å; L310-L347 HydrophobicContact CD2-CD2 3.95Å; L310-L352 HydrophobicContact CB-CD1 4.42Å; L310-L352 HydrophobicContact CD1-CB 4.12Å; L310-W394 HydrophobicContact CD1-CH2 4.32Å |
| 311 | T | 93.9 | Very high | 93 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 15% | 0.153 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 114.4 | 173.5 | -53.3 | 0 | 0 | 0 | 0 | 109 | K317 S350 T351 | T311-K317 HydrophobicContact CG2-CG 4.03Å; T311-S350 VanDerWaalsContact O-CA 3.31Å; T311-S350 WeakPolarHBondContact O-CA 3.46Å; T311-S350 VanDerWaalsContact O-CB 3.3Å; T311-S350 WeakPolarHBondContact O-CB 3.15Å; T311-T351 PolarHBondContact N-O 3.49Å; T311-T351 PolarHBondContact O-N 2.8Å; T311-T351 VanDerWaalsContact O-N 3.08Å |
| 312 | L | 91.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 4% | 0.037 | 22% | 0.219 | C | C | . | . | trans | -83.2 | 164.9 | 177.5 | -61.5 | -179.7 | 0 | 0 | 0 | 111.3 | L310 N314 Q315 Q316 L318 V342 S350 | L310-L312 HydrophobicContact CD2-CD2 3.98Å; L310-L312 HydrophobicContact CG-CD2 4.05Å; L312-N314 VanDerWaalsContact C-N 3.26Å; L312-N314 WeakPolarHBondContact CB-OD1 3.35Å; L312-N314 PolarHBondContact O-N 2.81Å; L312-Q315 WeakPolarHBondContact O-CA 3.35Å; L312-Q315 PolarHBondContact O-N 3.26Å; L312-Q316 HydrophobicContact CB-CB 4.42Å; L312-Q316 HydrophobicContact CD1-CB 4.45Å; L312-Q316 PolarHBondContact N-O 2.75Å; L312-L318 HydrophobicContact CD1-CD1 4.12Å; L312-L318 HydrophobicContact CD1-CG 4.34Å; L312-V342 HydrophobicContact CD2-CG1 4.02Å; L312-S350 WeakPolarHBondContact CD2-OG 3.24Å | ||
| 313 | P | 88.7 | Confident | 93.9 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 31% | 0.312 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -29.6 | -174.3 | -25.4 | 37.4 | 0 | 0 | 0 | 114.2 | Q315 Q349 | P313-Q315 PolarHBondContact O-N 3.28Å; P313-Q315 VanDerWaalsContact O-N 3.12Å; P313-Q349 HydrophobicContact CB-CB 4.29Å; P313-Q349 HydrophobicContact CG-CB 3.56Å |
| 314 | N | 89.4 | Confident | 94 | Very high | 99 Ų | 99 | 50.9 Ų | 50.9 | 53% | 0.529 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 16 | 172.8 | 67 | -14.5 | 0 | 0 | 0 | 113.9 | L312 Q316 | L312-N314 VanDerWaalsContact C-N 3.26Å; L312-N314 WeakPolarHBondContact CB-OD1 3.35Å; L312-N314 PolarHBondContact O-N 2.81Å; N314-Q316 PolarHBondContact ND2-OE1 3.21Å; N314-Q316 PolarHBondContact O-N 3.4Å; N314-Q316 VanDerWaalsContact O-N 3.08Å; N314-Q316 WeakPolarHBondContact OD1-CB 3.46Å; N314-Q316 PolarHBondContact OD1-N 2.8Å; N314-Q316 VanDerWaalsContact OD1-N 3.15Å |
| 315 | Q | 87.7 | Confident | 94 | Very high | 139 Ų | 139 | 52.9 Ų | 52.9 | 65% | 0.65 | 26% | 0.26 | S | S | * | . | S | Bend | trans | 61.5 | 4.8 | -173.3 | -57.7 | -58.4 | -52.2 | 0 | 0 | 115.9 | L312 P313 K317 | L312-Q315 WeakPolarHBondContact O-CA 3.35Å; L312-Q315 PolarHBondContact O-N 3.26Å; P313-Q315 PolarHBondContact O-N 3.28Å; P313-Q315 VanDerWaalsContact O-N 3.12Å; Q315-K317 PolarHBondContact O-N 2.69Å |
| 316 | Q | 91.7 | Very high | 93.8 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 47% | 0.467 | 29% | 0.29 | S | S | . | . | trans | -67 | 129.2 | 176.2 | -171.2 | 178.2 | 6.8 | 0 | 0 | 110.3 | L312 N314 L318 | L312-Q316 HydrophobicContact CB-CB 4.42Å; L312-Q316 HydrophobicContact CD1-CB 4.45Å; L312-Q316 PolarHBondContact N-O 2.75Å; N314-Q316 PolarHBondContact ND2-OE1 3.21Å; N314-Q316 PolarHBondContact O-N 3.4Å; N314-Q316 VanDerWaalsContact O-N 3.08Å; N314-Q316 WeakPolarHBondContact OD1-CB 3.46Å; N314-Q316 PolarHBondContact OD1-N 2.8Å; N314-Q316 VanDerWaalsContact OD1-N 3.15Å; Q316-L318 HydrophobicContact CG-CD2 4.33Å | ||
| 317 | K | 93.1 | Very high | 93.4 | Very high | 107 Ų | 107 | 67.6 Ų | 67.6 | 47% | 0.465 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 100.6 | -177 | -70 | -175.6 | 178.8 | -178.5 | 0 | 110.9 | L310 T311 Q315 | L310-K317 WeakPolarHBondContact O-CA 3.27Å; T311-K317 HydrophobicContact CG2-CG 4.03Å; Q315-K317 PolarHBondContact O-N 2.69Å |
| 318 | L | 93.3 | Very high | 92.8 | Very high | 45 Ų | 45 | 68.5 Ų | 68.5 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 119.9 | 172.8 | -53.9 | -177.7 | 0 | 0 | 0 | 108.5 | C309 L310 L312 Q316 F339 V342 | C309-L318 CarbonylContact C-O 3.56Å; C309-L318 WeakPolarHBondContact CA-O 3.38Å; L310-L318 HydrophobicContact CB-CB 4.42Å; L310-L318 PolarHBondContact N-O 3.15Å; L310-L318 PolarHBondContact O-N 2.98Å; L312-L318 HydrophobicContact CD1-CD1 4.12Å; L312-L318 HydrophobicContact CD1-CG 4.34Å; Q316-L318 HydrophobicContact CG-CD2 4.33Å; L318-F339 HydrophobicContact CB-CD1 3.72Å; L318-F339 HydrophobicContact CB-CE1 4.12Å; L318-F339 HydrophobicContact CD1-CB 4.32Å; L318-F339 HydrophobicContact CD1-CD1 4.28Å; L318-V342 HydrophobicContact CD1-CG1 4.17Å |
| 319 | R | 95.7 | Very high | 92.2 | Very high | 179 Ų | 179 | 70.4 Ų | 70.4 | 68% | 0.675 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 140.4 | -173.2 | -63.1 | -179 | -173.7 | -99.4 | 14 | 111.8 | G308 | G308-R319 WeakPolarHBondContact O-CA 3.39Å |
| 320 | V | 96.3 | Very high | 91.8 | Very high | 34 Ų | 34 | 74 Ų | 74 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 152.4 | -179.9 | -68.7 | 0 | 0 | 0 | 0 | 109.9 | K307 G308 F337 F339 | K307-V320 CarbonylContact C-O 3.44Å; K307-V320 WeakPolarHBondContact CA-O 3.48Å; G308-V320 PolarHBondContact N-O 3.04Å; G308-V320 WeakPolarHBondContact O-CG2 3.17Å; G308-V320 PolarHBondContact O-N 3.2Å; V320-F337 HydrophobicContact CB-CB 4.32Å; V320-F337 HydrophobicContact CB-CD1 3.67Å; V320-F337 HydrophobicContact CB-CD2 4.34Å; V320-F337 HydrophobicContact CB-CE1 3.96Å; V320-F337 HydrophobicContact CB-CG 3.87Å; V320-F337 HydrophobicContact CB-CZ 4.43Å; V320-F337 HydrophobicContact CG1-CB 4.45Å; V320-F337 HydrophobicContact CG1-CD1 4.44Å; V320-F337 HydrophobicContact CG2-CB 3.87Å; V320-F337 HydrophobicContact CG2-CD1 3.73Å; V320-F337 HydrophobicContact CG2-CD2 3.46Å; V320-F337 VanDerWaalsContact CG2-CD2 3.46Å; V320-F337 HydrophobicContact CG2-CE1 4.04Å; V320-F337 HydrophobicContact CG2-CE2 3.82Å; V320-F337 HydrophobicContact CG2-CG 3.41Å; V320-F337 VanDerWaalsContact CG2-CG 3.41Å; V320-F337 HydrophobicContact CG2-CZ 4.09Å; V320-F339 HydrophobicContact CG1-CE1 3.99Å; V320-F339 HydrophobicContact CG1-CZ 4.4Å; V320-F339 HydrophobicContact CG2-CE1 3.91Å; V320-F339 HydrophobicContact CG2-CZ 3.62Å |
| 321 | K | 96.3 | Very high | 91.6 | Very high | 96 Ų | 96 | 74 Ų | 74 | 42% | 0.417 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 134.6 | 179.8 | -172.4 | -171.1 | 174.3 | 176.2 | 0 | 110.2 | F305 V306 K307 F337 | F305-K321 HydrophobicContact CD2-CD 4.24Å; F305-K321 HydrophobicContact CD2-CG 4.02Å; F305-K321 HydrophobicContact CE2-CD 4.34Å; F305-K321 VanDerWaalsContact CE2-CE 3.48Å; F305-K321 HydrophobicContact CE2-CG 4.44Å; V306-K321 WeakPolarHBondContact O-CA 3.35Å; K307-K321 HydrophobicContact CG-CB 4.44Å; K307-K321 HydrophobicContact CG-CG 4.1Å; K321-F337 VanDerWaalsContact C-CE1 3.49Å |
| 322 | S | 96.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 78.5 Ų | 78.5 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 163.7 | 175.7 | 74.7 | 0 | 0 | 0 | 0 | 112 | V306 | V306-S322 PolarHBondContact N-OG 2.85Å; V306-S322 PolarHBondContact O-N 3.45Å |
| 323 | P | 95.7 | Very high | 91.8 | Very high | 77 Ų | 77 | 79.1 Ų | 79.1 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -53 | 154 | 160.4 | -24.9 | 35 | 0 | 0 | 0 | 112 | ||
| 324 | V | 94.9 | Very high | 92.1 | Very high | 38 Ų | 38 | 83.4 Ų | 83.4 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -90.5 | 116.5 | 176.5 | -171.9 | 0 | 0 | 0 | 0 | 109.6 | N303 F305 K326 Q359 | N303-V324 HydrophobicContact CB-CG1 4.14Å; N303-V324 WeakPolarHBondContact O-CG1 3.28Å; F305-V324 HydrophobicContact CB-CG2 4.08Å; F305-V324 HydrophobicContact CD1-CG1 4.34Å; F305-V324 HydrophobicContact CD1-CG2 3.84Å; F305-V324 HydrophobicContact CG-CG2 4.27Å; V324-K326 HydrophobicContact CG1-CG 4.42Å; V324-Q359 HydrophobicContact CG1-CB 3.88Å |
| 325 | L | 93.3 | Very high | 92.4 | Very high | 43 Ų | 43 | 81.3 Ų | 81.3 | 23% | 0.225 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 117.7 | 172.2 | -64.9 | -179.8 | 0 | 0 | 0 | 109.1 | N303 S304 P331 W333 | N303-L325 CarbonylContact C-O 3.54Å; N303-L325 VanDerWaalsContact CA-O 3.26Å; N303-L325 WeakPolarHBondContact CA-O 3.37Å; S304-L325 PolarHBondContact N-O 3.3Å; S304-L325 PolarHBondContact O-N 3Å; L325-P331 HydrophobicContact CD1-CB 3.93Å; L325-W333 HydrophobicContact CD1-CB 4.4Å; L325-W333 HydrophobicContact CD1-CD2 4.33Å; L325-W333 HydrophobicContact CD1-CG 3.85Å; L325-W333 HydrophobicContact CG-CG 4.41Å |
| 326 | K | 92 | Very high | 92.8 | Very high | 143 Ų | 143 | 78.2 Ų | 78.2 | 62% | 0.622 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 143.1 | -173.2 | -65.2 | 178.5 | -178.5 | 176.1 | 0 | 111.6 | L302 N303 V324 Q328 | L302-K326 CarbonylContact O-C 3.4Å; N303-K326 WeakPolarHBondContact OD1-CA 3.16Å; V324-K326 HydrophobicContact CG1-CG 4.42Å; K326-Q328 PolarHBondContact O-N 3.41Å |
| 327 | K | 87.7 | Confident | 93 | Very high | 166 Ų | 166 | 73.7 Ų | 73.7 | 72% | 0.722 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 52.7 | 45.8 | 177.6 | -57.2 | -172.8 | 177.9 | -174.4 | 0 | 115 | T301 L302 N303 | T301-K327 HydrophobicContact CG2-CB 4.46Å; L302-K327 WeakPolarHBondContact O-CA 3.48Å; L302-K327 PolarHBondContact O-N 3.3Å; N303-K327 PolarHBondContact OD1-N 2.91Å |
| 328 | Q | 86.2 | Confident | 93.1 | Very high | 80 Ų | 80 | 71.7 Ų | 71.7 | 37% | 0.374 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.2 | 176.5 | -70 | -173.5 | -19 | 0 | 0 | 112.5 | L302 K326 | L302-Q328 VanDerWaalsContact CB-O 3.31Å; L302-Q328 WeakPolarHBondContact CB-O 3.37Å; L302-Q328 PolarHBondContact N-O 3.01Å; L302-Q328 PolarHBondContact O-N 3.38Å; K326-Q328 PolarHBondContact O-N 3.41Å |
| 329 | A | 81.4 | Confident | 93.1 | Very high | 41 Ų | 41 | 69.7 Ų | 69.7 | 34% | 0.339 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -86.6 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V296 G300 P331 | V296-A329 HydrophobicContact CG1-CB 4.1Å; G300-A329 WeakPolarHBondContact O-CB 3.48Å; A329-P331 WeakPolarHBondContact O-CD 3.3Å |
| 330 | C | 87.9 | Confident | 92.8 | Very high | 80 Ų | 80 | 65.9 Ų | 65.9 | 54% | 0.541 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -118.8 | 79.8 | -178.9 | -64.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 331 | P | 91.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 35% | 0.353 | C | S | . | . | trans | -68 | 142.1 | -172.3 | 27.9 | -36.9 | 0 | 0 | 0 | 113.2 | G290 A291 L294 S304 L325 A329 W333 | G290-P331 CarbonylContact C-O 3.57Å; G290-P331 WeakPolarHBondContact CA-O 3.36Å; A291-P331 HydrophobicContact CB-CG 4.28Å; A291-P331 PolarHBondContact N-O 2.94Å; L294-P331 HydrophobicContact CD1-CG 3.82Å; S304-P331 WeakPolarHBondContact OG-CB 3.23Å; S304-P331 WeakPolarHBondContact OG-CG 3.49Å; L325-P331 HydrophobicContact CD1-CB 3.93Å; A329-P331 WeakPolarHBondContact O-CD 3.3Å; P331-W333 HydrophobicContact CB-CD2 4.35Å; P331-W333 HydrophobicContact CB-CE3 4.47Å; P331-W333 HydrophobicContact CB-CH2 3.92Å; P331-W333 HydrophobicContact CB-CZ2 3.76Å; P331-W333 HydrophobicContact CB-CZ3 4.27Å; P331-W333 HydrophobicContact CG-CH2 3.37Å; P331-W333 HydrophobicContact CG-CZ2 3.62Å; P331-W333 HydrophobicContact CG-CZ3 3.89Å | ||
| 332 | Q | 93.8 | Very high | 92 | Very high | 119 Ų | 119 | 61.7 Ų | 61.7 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | trans | -124.1 | 83 | 175.4 | -65.8 | -170.7 | 9.7 | 0 | 0 | 110.9 | L289 K334 | L289-Q332 CarbonylContact O-C 3.57Å; L289-Q332 WeakPolarHBondContact O-CA 3.5Å; Q332-K334 PolarHBondContact O-N 2.77Å | ||
| 333 | W | 94.8 | Very high | 91.5 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 8% | 0.08 | 33% | 0.333 | C | S | . | . | trans | -66.4 | -34.3 | -177.9 | -59.3 | -83.3 | 0 | 0 | 0 | 113.7 | L255 V288 L289 A291 S304 V306 L325 P331 H335 V356 | L255-W333 HydrophobicContact CD1-CZ3 3.78Å; V288-W333 HydrophobicContact CG1-CD2 4.46Å; V288-W333 HydrophobicContact CG1-CE3 3.77Å; V288-W333 HydrophobicContact CG1-CZ3 4.34Å; L289-W333 PolarHBondContact O-N 3.22Å; A291-W333 HydrophobicContact CB-CH2 3.96Å; A291-W333 HydrophobicContact CB-CZ3 3.74Å; S304-W333 PolarHBondContact O-NE1 2.86Å; S304-W333 VanDerWaalsContact O-NE1 3.07Å; S304-W333 WeakPolarHBondContact OG-CZ2 3.41Å; V306-W333 HydrophobicContact CG2-CD2 4Å; V306-W333 HydrophobicContact CG2-CE3 3.85Å; V306-W333 HydrophobicContact CG2-CH2 3.56Å; V306-W333 HydrophobicContact CG2-CZ2 3.7Å; V306-W333 HydrophobicContact CG2-CZ3 3.64Å; L325-W333 HydrophobicContact CD1-CB 4.4Å; L325-W333 HydrophobicContact CD1-CD2 4.33Å; L325-W333 HydrophobicContact CD1-CG 3.85Å; L325-W333 HydrophobicContact CG-CG 4.41Å; P331-W333 HydrophobicContact CB-CD2 4.35Å; P331-W333 HydrophobicContact CB-CE3 4.47Å; P331-W333 HydrophobicContact CB-CH2 3.92Å; P331-W333 HydrophobicContact CB-CZ2 3.76Å; P331-W333 HydrophobicContact CB-CZ3 4.27Å; P331-W333 HydrophobicContact CG-CH2 3.37Å; P331-W333 HydrophobicContact CG-CZ2 3.62Å; P331-W333 HydrophobicContact CG-CZ3 3.89Å; W333-H335 HydrophobicContact CB-CB 3.98Å; W333-H335 WeakPolarHBondContact O-CB 3.42Å; W333-H335 PolarHBondContact O-N 3.34Å; W333-V356 HydrophobicContact CH2-CG1 3.75Å; W333-V356 HydrophobicContact CZ2-CG1 4.19Å | ||
| 334 | K | 94.4 | Very high | 91 | Very high | 137 Ų | 137 | 59.2 Ų | 59.2 | 60% | 0.596 | 32% | 0.317 | S | S | * | . | trans | 44.9 | 35.6 | -175.3 | -64.1 | 170.2 | -176.7 | 161.7 | 0 | 112.9 | V288 L289 Q332 | V288-K334 CarbonylContact O-C 3.58Å; V288-K334 VanDerWaalsContact O-CA 3.25Å; V288-K334 WeakPolarHBondContact O-CA 3.3Å; V288-K334 PolarHBondContact O-N 2.89Å; L289-K334 PolarHBondContact O-N 2.94Å; L289-K334 VanDerWaalsContact O-N 3.09Å; Q332-K334 PolarHBondContact O-N 2.77Å | ||
| 335 | H | 95.4 | Very high | 90.6 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 26% | 0.259 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 135 | -162.2 | -179.8 | 75.4 | 0 | 0 | 0 | 111.7 | V287 V288 W333 F337 | V287-H335 WeakPolarHBondContact CA-O 3.49Å; V288-H335 PolarHBondContact N-O 2.94Å; V288-H335 PolarHBondContact O-N 2.97Å; W333-H335 HydrophobicContact CB-CB 3.98Å; W333-H335 WeakPolarHBondContact O-CB 3.42Å; W333-H335 PolarHBondContact O-N 3.34Å; H335-F337 AromaticContact CD2-CD1 3.69Å; H335-F337 AromaticContact CD2-CE1 3.33Å; H335-F337 WeakPolarHBondContact CD2-CE1 3.14Å; H335-F337 AromaticContact NE2-CD1 3.75Å; H335-F337 AromaticContact NE2-CE1 3.51Å |
| 336 | S | 96.1 | Very high | 90.4 | Very high | 73 Ų | 73 | 61.3 Ų | 61.3 | 51% | 0.51 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 121.8 | -174.3 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | L286 | L286-S336 WeakPolarHBondContact O-CA 3.42Å |
| 337 | F | 96.2 | Very high | 90.3 | Very high | 6 Ų | 6 | 54.5 Ų | 54.5 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 144.9 | 162.4 | -59.6 | -34.8 | 0 | 0 | 0 | 110.2 | L286 V288 V306 V320 K321 H335 | L286-F337 HydrophobicContact CB-CB 4.49Å; L286-F337 HydrophobicContact CD2-CD2 4.27Å; L286-F337 PolarHBondContact N-O 3.12Å; L286-F337 PolarHBondContact O-N 3.35Å; V288-F337 HydrophobicContact CG2-CD2 3.99Å; V288-F337 HydrophobicContact CG2-CE2 3.74Å; V306-F337 HydrophobicContact CG1-CE2 4.42Å; V320-F337 HydrophobicContact CB-CB 4.32Å; V320-F337 HydrophobicContact CB-CD1 3.67Å; V320-F337 HydrophobicContact CB-CD2 4.34Å; V320-F337 HydrophobicContact CB-CE1 3.96Å; V320-F337 HydrophobicContact CB-CG 3.87Å; V320-F337 HydrophobicContact CB-CZ 4.43Å; V320-F337 HydrophobicContact CG1-CB 4.45Å; V320-F337 HydrophobicContact CG1-CD1 4.44Å; V320-F337 HydrophobicContact CG2-CB 3.87Å; V320-F337 HydrophobicContact CG2-CD1 3.73Å; V320-F337 HydrophobicContact CG2-CD2 3.46Å; V320-F337 VanDerWaalsContact CG2-CD2 3.46Å; V320-F337 HydrophobicContact CG2-CE1 4.04Å; V320-F337 HydrophobicContact CG2-CE2 3.82Å; V320-F337 HydrophobicContact CG2-CG 3.41Å; V320-F337 VanDerWaalsContact CG2-CG 3.41Å; V320-F337 HydrophobicContact CG2-CZ 4.09Å; K321-F337 VanDerWaalsContact C-CE1 3.49Å; H335-F337 AromaticContact CD2-CD1 3.69Å; H335-F337 AromaticContact CD2-CE1 3.33Å; H335-F337 WeakPolarHBondContact CD2-CE1 3.14Å; H335-F337 AromaticContact NE2-CD1 3.75Å; H335-F337 AromaticContact NE2-CE1 3.51Å |
| 338 | V | 95.2 | Very high | 90.4 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 39% | 0.388 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 123.1 | 174.9 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | Q283 L284 N340 | Q283-V338 HydrophobicContact CB-CG1 4.12Å; L284-V338 WeakPolarHBondContact O-CA 3.41Å; V338-N340 WeakPolarHBondContact CG1-OD1 3.18Å |
| 339 | F | 93.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 111.7 | 170.2 | -54.3 | -82.9 | 0 | 0 | 0 | 108.4 | Q283 L284 L310 L318 V320 V342 L352 | Q283-F339 CarbonylContact C-O 3.58Å; Q283-F339 VanDerWaalsContact CA-O 3.3Å; Q283-F339 WeakPolarHBondContact CA-O 3.45Å; L284-F339 HydrophobicContact CB-CB 4.29Å; L284-F339 HydrophobicContact CB-CD2 4.24Å; L284-F339 HydrophobicContact CD2-CD2 4Å; L284-F339 HydrophobicContact CD2-CE2 4.5Å; L284-F339 HydrophobicContact CG-CD2 4.24Å; L284-F339 PolarHBondContact N-O 2.88Å; L284-F339 PolarHBondContact O-N 2.84Å; L310-F339 HydrophobicContact CB-CD1 3.83Å; L310-F339 HydrophobicContact CB-CD2 4.45Å; L310-F339 HydrophobicContact CB-CE1 3.71Å; L310-F339 HydrophobicContact CB-CE2 4.34Å; L310-F339 HydrophobicContact CB-CG 4.19Å; L310-F339 HydrophobicContact CB-CZ 3.97Å; L310-F339 HydrophobicContact CD2-CB 3.84Å; L310-F339 HydrophobicContact CD2-CD1 4.14Å; L310-F339 HydrophobicContact CD2-CD2 4.18Å; L310-F339 HydrophobicContact CD2-CG 3.8Å; L318-F339 HydrophobicContact CB-CD1 3.72Å; L318-F339 HydrophobicContact CB-CE1 4.12Å; L318-F339 HydrophobicContact CD1-CB 4.32Å; L318-F339 HydrophobicContact CD1-CD1 4.28Å; V320-F339 HydrophobicContact CG1-CE1 3.99Å; V320-F339 HydrophobicContact CG1-CZ 4.4Å; V320-F339 HydrophobicContact CG2-CE1 3.91Å; V320-F339 HydrophobicContact CG2-CZ 3.62Å; F339-V342 HydrophobicContact CB-CG1 4.45Å; F339-V342 WeakPolarHBondContact O-CG2 3.25Å; F339-L352 HydrophobicContact CE2-CD1 3.96Å; F339-L352 HydrophobicContact CZ-CD1 3.99Å |
| 340 | N | 90.6 | Very high | 91 | Very high | 98 Ų | 98 | 54 Ų | 54 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 154.9 | -179.2 | -66.6 | -39.8 | 0 | 0 | 0 | 111.7 | Q283 V338 | Q283-N340 PolarHBondContact NE2-OD1 3.36Å; V338-N340 WeakPolarHBondContact CG1-OD1 3.18Å |
| 341 | G | 86.5 | Confident | 91.2 | Very high | 42 Ų | 42 | 52 Ų | 52 | 43% | 0.433 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.7 | 32.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G282 | G282-G341 PolarHBondContact O-N 3.45Å |
| 342 | V | 88.2 | Confident | 91.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 121.6 | -176.4 | -66.8 | 0 | 0 | 0 | 0 | 110.7 | G282 L284 L310 L312 L318 F339 L347 | G282-V342 CarbonylContact C-O 3.58Å; G282-V342 WeakPolarHBondContact CA-O 3.34Å; G282-V342 PolarHBondContact N-O 3.26Å; G282-V342 PolarHBondContact O-N 3.38Å; G282-V342 VanDerWaalsContact O-N 3.15Å; L284-V342 HydrophobicContact CB-CG2 4.11Å; L310-V342 HydrophobicContact CD2-CG1 4.03Å; L312-V342 HydrophobicContact CD2-CG1 4.02Å; L318-V342 HydrophobicContact CD1-CG1 4.17Å; F339-V342 HydrophobicContact CB-CG1 4.45Å; F339-V342 WeakPolarHBondContact O-CG2 3.25Å; V342-L347 HydrophobicContact CB-CD1 4.37Å; V342-L347 HydrophobicContact CB-CD2 4.15Å; V342-L347 HydrophobicContact CB-CG 4.18Å; V342-L347 HydrophobicContact CG2-CD1 4.02Å; V342-L347 HydrophobicContact CG2-CD2 4.26Å; V342-L347 HydrophobicContact CG2-CG 4.33Å |
| 343 | S | 86.7 | Confident | 91.3 | Very high | 5 Ų | 5 | 48 Ų | 48 | 4% | 0.035 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 156.6 | 179.6 | 79.2 | 0 | 0 | 0 | 0 | 112.1 | S345 Q346 L347 | S343-S345 PolarHBondContact O-N 2.77Å; S343-S345 PolarHBondContact OG-OG 3.12Å; S343-Q346 PolarHBondContact O-N 3.2Å; S343-Q346 WeakPolarHBondContact OG-CG 3.23Å; S343-Q346 PolarHBondContact OG-N 3.01Å; S343-Q346 PolarHBondContact OG-OE1 2.95Å; S343-L347 WeakPolarHBondContact O-CG 3.46Å; S343-L347 PolarHBondContact O-N 2.81Å |
| 344 | S | 85.8 | Confident | 91.4 | Very high | 26 Ų | 26 | 47.1 Ų | 47.1 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.4 | -28.2 | 176.8 | -63.4 | 0 | 0 | 0 | 0 | 113.4 | R348 | S344-R348 WeakPolarHBondContact O-CG 3.16Å; S344-R348 PolarHBondContact O-N 3.08Å |
| 345 | S | 86.1 | Confident | 91.4 | Very high | 66 Ų | 66 | 41 Ų | 41 | 46% | 0.462 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -75 | -43.6 | 175.7 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | S343 R348 | S343-S345 PolarHBondContact O-N 2.77Å; S343-S345 PolarHBondContact OG-OG 3.12Å; S345-R348 PolarHBondContact O-N 2.8Å |
| 346 | Q | 89.2 | Confident | 91.4 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 28% | 0.28 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 172.9 | -72.5 | 167.4 | -25.3 | 0 | 0 | 111.2 | S343 R348 Q349 S350 | S343-Q346 PolarHBondContact O-N 3.2Å; S343-Q346 WeakPolarHBondContact OG-CG 3.23Å; S343-Q346 PolarHBondContact OG-N 3.01Å; S343-Q346 PolarHBondContact OG-OE1 2.95Å; Q346-R348 VanDerWaalsContact C-N 3.3Å; Q346-R348 PolarHBondContact O-N 2.98Å; Q346-Q349 CarbonylContact O-C 3.57Å; Q346-Q349 PolarHBondContact O-N 3.2Å; Q346-S350 VanDerWaalsContact C-OG 3.32Å; Q346-S350 WeakPolarHBondContact O-CB 3.32Å; Q346-S350 PolarHBondContact O-N 3.06Å; Q346-S350 PolarHBondContact O-OG 2.81Å |
| 347 | L | 90 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -32.6 | -178.3 | -70.4 | 175.3 | 0 | 0 | 0 | 113.3 | L261 L284 L310 V342 S343 Q349 S350 W394 L398 | L261-L347 HydrophobicContact CD1-CD1 3.52Å; L261-L347 HydrophobicContact CD2-CD1 4.04Å; L261-L347 HydrophobicContact CG-CD1 4.36Å; L284-L347 HydrophobicContact CB-CD1 4.47Å; L284-L347 HydrophobicContact CD2-CD2 4.16Å; L310-L347 HydrophobicContact CD1-CD2 4.24Å; L310-L347 HydrophobicContact CD2-CD2 3.95Å; V342-L347 HydrophobicContact CB-CD1 4.37Å; V342-L347 HydrophobicContact CB-CD2 4.15Å; V342-L347 HydrophobicContact CB-CG 4.18Å; V342-L347 HydrophobicContact CG2-CD1 4.02Å; V342-L347 HydrophobicContact CG2-CD2 4.26Å; V342-L347 HydrophobicContact CG2-CG 4.33Å; S343-L347 WeakPolarHBondContact O-CG 3.46Å; S343-L347 PolarHBondContact O-N 2.81Å; L347-Q349 PolarHBondContact O-N 2.86Å; L347-S350 PolarHBondContact O-N 3.16Å; L347-W394 HydrophobicContact CB-CZ2 4.47Å; L347-W394 HydrophobicContact CD2-CH2 4.36Å; L347-W394 HydrophobicContact CD2-CZ2 4.25Å; L347-W394 PolarHBondContact O-NE1 3.28Å; L347-W394 VanDerWaalsContact O-NE1 3.14Å; L347-L398 HydrophobicContact CB-CD1 4.25Å; L347-L398 HydrophobicContact CB-CD2 3.71Å; L347-L398 HydrophobicContact CD1-CD2 4.01Å; L347-L398 HydrophobicContact CG-CD2 4.47Å |
| 348 | R | 88.5 | Confident | 91.2 | Very high | 131 Ų | 131 | 37.6 Ų | 37.6 | 49% | 0.494 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.7 | 172.2 | -83.2 | -169.3 | -76.6 | -97.2 | 8.8 | 114.2 | S344 S345 Q346 S376 L398 | S344-R348 WeakPolarHBondContact O-CG 3.16Å; S344-R348 PolarHBondContact O-N 3.08Å; S345-R348 PolarHBondContact O-N 2.8Å; Q346-R348 VanDerWaalsContact C-N 3.3Å; Q346-R348 PolarHBondContact O-N 2.98Å; R348-S376 WeakPolarHBondContact O-CB 2.82Å; R348-S376 PolarHBondContact O-OG 2.67Å; R348-L398 HydrophobicContact CB-CD1 4.5Å; R348-L398 HydrophobicContact CG-CD1 3.82Å |
| 349 | Q | 88.7 | Confident | 91 | Very high | 144 Ų | 144 | 37.6 Ų | 37.6 | 67% | 0.673 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -1.9 | 175.6 | -68.9 | 178.4 | -5.8 | 0 | 0 | 113 | P313 Q346 L347 | P313-Q349 HydrophobicContact CB-CB 4.29Å; P313-Q349 HydrophobicContact CG-CB 3.56Å; Q346-Q349 CarbonylContact O-C 3.57Å; Q346-Q349 PolarHBondContact O-N 3.2Å; L347-Q349 PolarHBondContact O-N 2.86Å |
| 350 | S | 91.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | trans | -87.1 | 163.1 | -177.6 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | T311 L312 Q346 L347 | T311-S350 VanDerWaalsContact O-CA 3.31Å; T311-S350 WeakPolarHBondContact O-CA 3.46Å; T311-S350 VanDerWaalsContact O-CB 3.3Å; T311-S350 WeakPolarHBondContact O-CB 3.15Å; L312-S350 WeakPolarHBondContact CD2-OG 3.24Å; Q346-S350 VanDerWaalsContact C-OG 3.32Å; Q346-S350 WeakPolarHBondContact O-CB 3.32Å; Q346-S350 PolarHBondContact O-N 3.06Å; Q346-S350 PolarHBondContact O-OG 2.81Å; L347-S350 PolarHBondContact O-N 3.16Å | ||
| 351 | T | 92.3 | Very high | 90 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 24% | 0.239 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.1 | 169 | -54.8 | 0 | 0 | 0 | 0 | 109.4 | T311 L374 | T311-T351 PolarHBondContact N-O 3.49Å; T311-T351 PolarHBondContact O-N 2.8Å; T311-T351 VanDerWaalsContact O-N 3.08Å; T351-L374 CarbonylContact C-O 3.57Å; T351-L374 WeakPolarHBondContact CA-O 3.44Å |
| 352 | L | 94.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.9 | 169.4 | 172.8 | 63.2 | 0 | 0 | 0 | 109.3 | L286 L310 F339 L354 L374 W394 | L286-L352 HydrophobicContact CD2-CD2 4.13Å; L310-L352 HydrophobicContact CB-CD1 4.42Å; L310-L352 HydrophobicContact CD1-CB 4.12Å; F339-L352 HydrophobicContact CE2-CD1 3.96Å; F339-L352 HydrophobicContact CZ-CD1 3.99Å; L352-L354 HydrophobicContact CD1-CD2 4.19Å; L352-L354 HydrophobicContact CG-CD2 4.45Å; L352-L354 HydrophobicContact CG-CG 4.28Å; L352-L374 HydrophobicContact CB-CB 4.34Å; L352-L374 HydrophobicContact CD2-CD1 4.25Å; L352-L374 PolarHBondContact N-O 2.8Å; L352-L374 PolarHBondContact O-N 2.73Å; L352-W394 HydrophobicContact CB-CH2 3.95Å; L352-W394 HydrophobicContact CB-CZ3 3.94Å; L352-W394 HydrophobicContact CD2-CH2 4.39Å; L352-W394 HydrophobicContact CD2-CZ3 3.81Å |
| 353 | E | 94.5 | Very high | 87.8 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.6 | 175.6 | 178.6 | -170.5 | 96.8 | 0 | 0 | 109.1 | G308 C309 T355 E371 R373 | G308-E353 CarbonylContact C-O 3.59Å; G308-E353 WeakPolarHBondContact CA-O 3.25Å; C309-E353 HydrophobicContact CB-CB 4.26Å; C309-E353 PolarHBondContact N-O 2.65Å; C309-E353 PolarHBondContact O-N 2.84Å; E353-T355 HydrophobicContact CG-CG2 4.35Å; E353-E371 HydrophobicContact CG-CG 4.38Å; E353-R373 IonicContact OE2-CZ 3.26Å; E353-R373 IonicContact OE2-NH1 3.13Å; E353-R373 PolarHBondContact OE2-NH1 2.7Å; E353-R373 IonicContact OE2-NH2 2.74Å; E353-R373 PolarHBondContact OE2-NH2 2.95Å |
| 354 | L | 95.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 112.7 | 178.8 | -64.7 | 172.2 | 0 | 0 | 0 | 108.4 | L255 V257 L286 L352 A372 L409 | L255-L354 HydrophobicContact CD2-CB 4.11Å; L255-L354 HydrophobicContact CD2-CD1 4.3Å; V257-L354 HydrophobicContact CG1-CD1 4.29Å; L286-L354 HydrophobicContact CD2-CD1 3.99Å; L286-L354 HydrophobicContact CD2-CD2 3.62Å; L286-L354 HydrophobicContact CD2-CG 4.42Å; L352-L354 HydrophobicContact CD1-CD2 4.19Å; L352-L354 HydrophobicContact CG-CD2 4.45Å; L352-L354 HydrophobicContact CG-CG 4.28Å; L354-A372 PolarHBondContact N-O 3.01Å; L354-A372 PolarHBondContact O-N 2.99Å; L354-L409 HydrophobicContact CD1-CD1 3.57Å |
| 355 | T | 95.1 | Very high | 87.1 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.055 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128.4 | 179.5 | 45.7 | 0 | 0 | 0 | 0 | 110.2 | V306 K307 E353 W357 L368 E371 | V306-T355 WeakPolarHBondContact CA-O 3Å; K307-T355 PolarHBondContact N-O 2.87Å; K307-T355 PolarHBondContact O-N 2.75Å; E353-T355 HydrophobicContact CG-CG2 4.35Å; T355-W357 VanDerWaalsContact O-CD1 3.29Å; T355-W357 PolarHBondContact OG1-NE1 3.48Å; T355-L368 HydrophobicContact CG2-CD1 3.92Å; T355-E371 HydrophobicContact CG2-CB 3.95Å; T355-E371 HydrophobicContact CG2-CG 3.65Å; T355-E371 WeakPolarHBondContact CG2-OE2 3.22Å |
| 356 | V | 95.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131 | 174.5 | -168.5 | 0 | 0 | 0 | 0 | 108.3 | L255 L294 V306 W333 L369 G370 L411 | L255-V356 HydrophobicContact CD1-CG2 4.03Å; L255-V356 HydrophobicContact CD2-CG2 4.14Å; L294-V356 HydrophobicContact CD1-CG1 4.18Å; L294-V356 HydrophobicContact CD2-CG1 4.24Å; V306-V356 HydrophobicContact CG2-CG1 4.36Å; V306-V356 HydrophobicContact CG2-CG2 4.14Å; W333-V356 HydrophobicContact CH2-CG1 3.75Å; W333-V356 HydrophobicContact CZ2-CG1 4.19Å; V356-L369 HydrophobicContact CB-CB 4.43Å; V356-L369 HydrophobicContact CG1-CB 4.45Å; V356-L369 HydrophobicContact CG1-CD1 4.16Å; V356-L369 WeakPolarHBondContact O-CB 3.3Å; V356-L369 PolarHBondContact O-N 2.89Å; V356-G370 PolarHBondContact N-O 2.84Å; V356-G370 PolarHBondContact O-N 2.94Å; V356-L411 HydrophobicContact CB-CD1 4.34Å; V356-L411 HydrophobicContact CG2-CD1 3.72Å; V356-L411 HydrophobicContact CG2-CD2 3.82Å; V356-L411 HydrophobicContact CG2-CG 4.46Å |
| 357 | W | 94.5 | Very high | 87.3 | Confident | 58 Ų | 58 | 57.9 Ų | 57.9 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 157.9 | -175.2 | -63.3 | 76.3 | 0 | 0 | 0 | 110.9 | S304 F305 K307 T355 D366 R367 L368 | S304-W357 CarbonylContact C-O 3.53Å; S304-W357 WeakPolarHBondContact CA-O 3.43Å; F305-W357 HydrophobicContact CD1-CB 4.31Å; F305-W357 HydrophobicContact CD2-CB 3.94Å; F305-W357 HydrophobicContact CD2-CG 4.36Å; F305-W357 HydrophobicContact CE1-CB 3.82Å; F305-W357 HydrophobicContact CE2-CB 3.36Å; F305-W357 AromaticContact CE2-CD1 3.65Å; F305-W357 HydrophobicContact CE2-CD2 4.45Å; F305-W357 AromaticContact CE2-CG 3.53Å; F305-W357 HydrophobicContact CE2-CG 3.53Å; F305-W357 HydrophobicContact CG-CB 4.38Å; F305-W357 HydrophobicContact CZ-CB 3.31Å; F305-W357 HydrophobicContact CZ-CD2 4.43Å; F305-W357 AromaticContact CZ-CG 3.74Å; F305-W357 HydrophobicContact CZ-CG 3.74Å; F305-W357 PolarHBondContact N-O 2.89Å; F305-W357 PolarHBondContact O-N 3.02Å; K307-W357 VanDerWaalsContact NZ-CE2 3.31Å; T355-W357 VanDerWaalsContact O-CD1 3.29Å; T355-W357 PolarHBondContact OG1-NE1 3.48Å; W357-D366 HydrophobicContact CE3-CB 3.78Å; W357-D366 HydrophobicContact CZ3-CB 4.36Å; W357-R367 CarbonylContact C-O 3.58Å; W357-R367 VanDerWaalsContact CA-O 3.31Å; W357-R367 WeakPolarHBondContact CA-O 3.49Å; W357-L368 HydrophobicContact CD2-CB 4.42Å; W357-L368 HydrophobicContact CD2-CD1 4.08Å; W357-L368 HydrophobicContact CE3-CB 4.13Å; W357-L368 HydrophobicContact CG-CD1 4.5Å; W357-L368 HydrophobicContact CH2-CB 4.21Å; W357-L368 HydrophobicContact CH2-CD1 4.43Å; W357-L368 HydrophobicContact CZ2-CB 4.5Å; W357-L368 HydrophobicContact CZ2-CD1 3.88Å; W357-L368 HydrophobicContact CZ3-CB 4.03Å |
| 358 | D | 92.5 | Very high | 87.4 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.7 | 171.7 | 173 | 51.8 | 0 | 0 | 0 | 109.6 | R297 L302 N303 A360 R367 L369 | R297-D358 IonicContact CZ-OD1 3.11Å; R297-D358 IonicContact CZ-OD2 3.13Å; R297-D358 IonicContact NE-OD1 2.65Å; R297-D358 PolarHBondContact NE-OD1 2.89Å; R297-D358 IonicContact NE-OD2 2.71Å; R297-D358 PolarHBondContact NE-OD2 2.74Å; R297-D358 IonicContact NH1-OD1 3.86Å; R297-D358 IonicContact NH2-OD1 3.04Å; R297-D358 PolarHBondContact NH2-OD1 2.89Å; R297-D358 IonicContact NH2-OD2 2.69Å; R297-D358 PolarHBondContact NH2-OD2 2.87Å; L302-D358 HydrophobicContact CD2-CB 3.95Å; N303-D358 PolarHBondContact N-OD1 3.43Å; D358-A360 PolarHBondContact O-N 3.26Å; D358-R367 HydrophobicContact CB-CB 4.23Å; D358-R367 PolarHBondContact N-O 2.94Å; D358-R367 PolarHBondContact O-N 2.94Å; D358-R367 IonicContact OD2-NE 3.02Å; D358-L369 HydrophobicContact CB-CD1 4.02Å; D358-L369 HydrophobicContact CB-CD2 3.71Å; D358-L369 HydrophobicContact CB-CG 3.88Å |
| 359 | Q | 92.3 | Very high | 87.4 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | trans | -67.9 | 113.9 | -179.4 | 179.8 | 172.5 | 57.8 | 0 | 0 | 110.3 | R297 N303 F305 V324 D366 | R297-Q359 PolarHBondContact NH2-O 3.28Å; N303-Q359 HydrophobicContact CB-CB 3.93Å; N303-Q359 WeakPolarHBondContact CB-O 3.41Å; N303-Q359 PolarHBondContact ND2-O 3.19Å; N303-Q359 WeakPolarHBondContact O-CB 3.47Å; N303-Q359 PolarHBondContact O-N 3.31Å; F305-Q359 HydrophobicContact CD1-CB 4.03Å; F305-Q359 HydrophobicContact CE1-CB 3.88Å; V324-Q359 HydrophobicContact CG1-CB 3.88Å; Q359-D366 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 360 | A | 84.4 | Confident | 87.5 | Confident | 25 Ų | 25 | 49 Ų | 49 | 21% | 0.207 | 27% | 0.266 | C | S | . | . | trans | -68.4 | 157.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112 | D358 M364 N365 D366 | D358-A360 PolarHBondContact O-N 3.26Å; A360-M364 HydrophobicContact CB-CB 3.78Å; A360-M364 WeakPolarHBondContact CB-O 3.06Å; A360-N365 VanDerWaalsContact CB-O 3.27Å; A360-N365 WeakPolarHBondContact CB-O 3.35Å; A360-D366 PolarHBondContact N-OD1 3.43Å | ||
| 361 | I | 77.7 | Confident | 87.6 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 52% | 0.518 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -97 | 129.9 | -178.8 | -59.8 | 171.8 | 0 | 0 | 0 | 107.8 | ||
| 362 | F | 67.6 | Low | 87.6 | Confident | 199 Ų | 199 | 49.6 Ų | 49.6 | 87% | 0.873 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.5 | 94.9 | 176.7 | -66.9 | -62.5 | 0 | 0 | 0 | 116.7 | M364 | F362-M364 PolarHBondContact O-N 2.76Š|
| 363 | G | 62 | Low | 87.5 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 93% | 0.928 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | -7.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 364 | M | 74.8 | Confident | 87.3 | Confident | 96 Ų | 96 | 53 Ų | 53 | 47% | 0.473 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -80.7 | 156.4 | 172.2 | -63.8 | -172.1 | 74.8 | 0 | 0 | 111.8 | A360 F362 | A360-M364 HydrophobicContact CB-CB 3.78Å; A360-M364 WeakPolarHBondContact CB-O 3.06Å; F362-M364 PolarHBondContact O-N 2.76Å |
| 365 | N | 82.8 | Confident | 86.8 | Confident | 127 Ų | 127 | 53.2 Ų | 53.2 | 68% | 0.679 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -72 | 140.5 | 174.5 | -68.2 | -29.8 | 0 | 0 | 0 | 111.8 | A360 R367 | A360-N365 VanDerWaalsContact CB-O 3.27Å; A360-N365 WeakPolarHBondContact CB-O 3.35Å; N365-R367 PolarHBondContact O-N 2.88Å |
| 366 | D | 89.7 | Confident | 85.7 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 133.6 | 171.2 | -69.6 | -20.5 | 0 | 0 | 0 | 111 | F305 W357 Q359 A360 | F305-D366 WeakPolarHBondContact CE1-OD2 3.18Å; F305-D366 HydrophobicContact CZ-CB 4.36Å; F305-D366 WeakPolarHBondContact CZ-OD2 3.43Å; W357-D366 HydrophobicContact CE3-CB 3.78Å; W357-D366 HydrophobicContact CZ3-CB 4.36Å; Q359-D366 WeakPolarHBondContact CA-OD1 3.5Å; A360-D366 PolarHBondContact N-OD1 3.43Å |
| 367 | R | 89.3 | Confident | 84.3 | Confident | 36 Ų | 36 | 63 Ų | 63 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.6 | 177.8 | 174.9 | 173.2 | 85.2 | 166.4 | 13.6 | 109.5 | D158 S160 P295 V296 W357 D358 N365 L369 | D158-R367 VanDerWaalsContact CG-NH1 3.29Å; D158-R367 IonicContact OD1-NH1 2.9Å; D158-R367 PolarHBondContact OD1-NH1 3.07Å; D158-R367 IonicContact OD2-CZ 2.78Å; D158-R367 IonicContact OD2-NH1 2.76Å; D158-R367 PolarHBondContact OD2-NH1 2.85Å; D158-R367 IonicContact OD2-NH2 2.72Å; S160-R367 PolarHBondContact OG-NH1 2.88Å; P295-R367 PolarHBondContact O-NH2 2.97Å; V296-R367 VanDerWaalsContact C-NH2 3.3Å; V296-R367 PolarHBondContact O-NH2 3.46Å; W357-R367 CarbonylContact C-O 3.58Å; W357-R367 VanDerWaalsContact CA-O 3.31Å; W357-R367 WeakPolarHBondContact CA-O 3.49Å; D358-R367 HydrophobicContact CB-CB 4.23Å; D358-R367 PolarHBondContact N-O 2.94Å; D358-R367 PolarHBondContact O-N 2.94Å; D358-R367 IonicContact OD2-NE 3.02Å; N365-R367 PolarHBondContact O-N 2.88Å; R367-L369 HydrophobicContact CG-CD2 4.26Å; R367-L369 PolarHBondContact O-N 2.99Å |
| 368 | L | 91.1 | Very high | 82.3 | Confident | 83 Ų | 83 | 62.5 Ų | 62.5 | 44% | 0.435 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 128.8 | 164.5 | -178.5 | 68.7 | 0 | 0 | 0 | 108 | T355 W357 | T355-L368 HydrophobicContact CG2-CD1 3.92Å; W357-L368 HydrophobicContact CD2-CB 4.42Å; W357-L368 HydrophobicContact CD2-CD1 4.08Å; W357-L368 HydrophobicContact CE3-CB 4.13Å; W357-L368 HydrophobicContact CG-CD1 4.5Å; W357-L368 HydrophobicContact CH2-CB 4.21Å; W357-L368 HydrophobicContact CH2-CD1 4.43Å; W357-L368 HydrophobicContact CZ2-CB 4.5Å; W357-L368 HydrophobicContact CZ2-CD1 3.88Å; W357-L368 HydrophobicContact CZ3-CB 4.03Å |
| 369 | L | 90.1 | Very high | 80.2 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -34.6 | 175.3 | -62 | -177.2 | 0 | 0 | 0 | 111.8 | N252 L294 P295 L302 V356 D358 R367 | N252-L369 WeakPolarHBondContact CB-O 3.41Å; N252-L369 VanDerWaalsContact CG-O 3.25Å; N252-L369 PolarHBondContact ND2-O 2.82Å; L294-L369 HydrophobicContact CD1-CD1 4.07Å; P295-L369 HydrophobicContact CG-CB 4.37Å; P295-L369 HydrophobicContact CG-CD2 4.24Å; P295-L369 WeakPolarHBondContact O-CD2 3.44Å; L302-L369 HydrophobicContact CD1-CD1 3.62Å; L302-L369 HydrophobicContact CD2-CD1 3.9Å; L302-L369 HydrophobicContact CD2-CD2 3.96Å; L302-L369 HydrophobicContact CG-CD1 4.3Å; V356-L369 HydrophobicContact CB-CB 4.43Å; V356-L369 HydrophobicContact CG1-CB 4.45Å; V356-L369 HydrophobicContact CG1-CD1 4.16Å; V356-L369 WeakPolarHBondContact O-CB 3.3Å; V356-L369 PolarHBondContact O-N 2.89Å; D358-L369 HydrophobicContact CB-CD1 4.02Å; D358-L369 HydrophobicContact CB-CD2 3.71Å; D358-L369 HydrophobicContact CB-CG 3.88Å; R367-L369 HydrophobicContact CG-CD2 4.26Å; R367-L369 PolarHBondContact O-N 2.99Å |
| 370 | G | 90.8 | Very high | 77.7 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.2 | 170.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V356 H412 | V356-G370 PolarHBondContact N-O 2.84Å; V356-G370 PolarHBondContact O-N 2.94Å; G370-H412 CarbonylContact C-O 3.56Å; G370-H412 WeakPolarHBondContact CA-O 3.34Å |
| 371 | E | 93.3 | Very high | 75.3 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 23% | 0.234 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 140.8 | -171.9 | -176.4 | 178.9 | 104.1 | 0 | 0 | 113.2 | E353 T355 R373 L411 H412 | E353-E371 HydrophobicContact CG-CG 4.38Å; T355-E371 HydrophobicContact CG2-CB 3.95Å; T355-E371 HydrophobicContact CG2-CG 3.65Å; T355-E371 WeakPolarHBondContact CG2-OE2 3.22Å; E371-R373 IonicContact OE1-CZ 3.2Å; E371-R373 IonicContact OE1-NE 3.66Å; E371-R373 PolarHBondContact OE1-NE 3.23Å; E371-R373 IonicContact OE1-NH2 2.73Å; E371-R373 PolarHBondContact OE1-NH2 3.04Å; E371-R373 IonicContact OE2-NH2 3.48Å; E371-R373 PolarHBondContact OE2-NH2 2.98Å; E371-R373 VanDerWaalsContact OE2-NH2 3.13Å; E371-L411 WeakPolarHBondContact O-CA 3.23Å; E371-H412 PolarHBondContact N-O 3.25Å; E371-H412 PolarHBondContact O-N 2.92Å |
| 372 | A | 92.4 | Very high | 73.7 | Confident | 4 Ų | 4 | 69.2 Ų | 69.2 | 3% | 0.033 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L354 L409 L411 | L354-A372 PolarHBondContact N-O 3.01Å; L354-A372 PolarHBondContact O-N 2.99Å; A372-L409 HydrophobicContact CB-CB 3.73Å; A372-L409 HydrophobicContact CB-CD1 3.87Å; A372-L409 HydrophobicContact CB-CG 4.38Å; A372-L411 HydrophobicContact CB-CD2 4.09Å |
| 373 | R | 91.4 | Very high | 72.5 | Confident | 105 Ų | 105 | 62.1 Ų | 62.1 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.6 | 176.3 | -64.7 | -178.9 | -178.8 | -82.2 | -14.9 | 110.7 | E353 E371 S390 | E353-R373 IonicContact OE2-CZ 3.26Å; E353-R373 IonicContact OE2-NH1 3.13Å; E353-R373 PolarHBondContact OE2-NH1 2.7Å; E353-R373 IonicContact OE2-NH2 2.74Å; E353-R373 PolarHBondContact OE2-NH2 2.95Å; E371-R373 IonicContact OE1-CZ 3.2Å; E371-R373 IonicContact OE1-NE 3.66Å; E371-R373 PolarHBondContact OE1-NE 3.23Å; E371-R373 IonicContact OE1-NH2 2.73Å; E371-R373 PolarHBondContact OE1-NH2 3.04Å; E371-R373 IonicContact OE2-NH2 3.48Å; E371-R373 PolarHBondContact OE2-NH2 2.98Å; E371-R373 VanDerWaalsContact OE2-NH2 3.13Å; R373-S390 WeakPolarHBondContact O-CB 3.48Å; R373-S390 PolarHBondContact O-OG 3.29Å; R373-S390 VanDerWaalsContact O-OG 3.14Å |
| 374 | L | 90.4 | Very high | 71.7 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.4 | 171.2 | -70.9 | 171.1 | 0 | 0 | 0 | 108.7 | T351 L352 S390 Q393 W394 M407 L409 | T351-L374 CarbonylContact C-O 3.57Å; T351-L374 WeakPolarHBondContact CA-O 3.44Å; L352-L374 HydrophobicContact CB-CB 4.34Å; L352-L374 HydrophobicContact CD2-CD1 4.25Å; L352-L374 PolarHBondContact N-O 2.8Å; L352-L374 PolarHBondContact O-N 2.73Å; L374-S390 VanDerWaalsContact CD2-O 3.29Å; L374-S390 WeakPolarHBondContact CD2-O 3.36Å; L374-Q393 HydrophobicContact CD2-CB 4.03Å; L374-W394 HydrophobicContact CB-CB 4.39Å; L374-W394 HydrophobicContact CB-CD2 4.24Å; L374-W394 HydrophobicContact CB-CE3 3.76Å; L374-W394 HydrophobicContact CB-CZ3 4.38Å; L374-W394 HydrophobicContact CD1-CE3 4.42Å; L374-M407 HydrophobicContact CD1-CE 3.75Å; L374-M407 HydrophobicContact CD1-SD 4.38Å; L374-L409 HydrophobicContact CD1-CD1 4.18Å; L374-L409 HydrophobicContact CD1-CD2 4.15Å; L374-L409 HydrophobicContact CD2-CD2 3.83Å; L374-L409 HydrophobicContact CG-CD1 4.5Å; L374-L409 HydrophobicContact CG-CD2 4.13Å |
| 375 | G | 86.2 | Confident | 70.6 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 6% | 0.062 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | 168.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | W394 | G375-W394 VanDerWaalsContact C-CD1 3.46Å |
| 376 | S | 71.6 | Confident | 69 | Low | 33 Ų | 33 | 59.5 Ų | 59.5 | 23% | 0.231 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -81.7 | -31.2 | 178 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | R348 K391 | R348-S376 WeakPolarHBondContact O-CB 2.82Å; R348-S376 PolarHBondContact O-OG 2.67Å; S376-K391 WeakPolarHBondContact O-CD 3.27Å; S376-K391 VanDerWaalsContact O-CE 3.3Å; S376-K391 WeakPolarHBondContact O-CE 3.35Å; S376-K391 PolarHBondContact O-NZ 3.39Å |
| 377 | K | 66.2 | Low | 67.5 | Low | 182 Ų | 182 | 58 Ų | 58 | 79% | 0.791 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -81.7 | 123 | 169.7 | -163.4 | 171.2 | -173.9 | 176.6 | 0 | 108 | ||
| 378 | G | 52.1 | Low | 66.3 | Low | 47 Ų | 47 | 59 Ų | 59 | 49% | 0.485 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -60 | 157.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 379 | G | 48.5 | Very low | 65.7 | Low | 53 Ų | 53 | 59.7 Ų | 59.7 | 55% | 0.546 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -59 | 165.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 380 | A | 39.5 | Very low | 65.2 | Low | 104 Ų | 104 | 60.9 Ų | 60.9 | 86% | 0.86 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -57.4 | 150.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G382 | A380-G382 PolarHBondContact O-N 3.02Š|
| 381 | A | 35.1 | Very low | 64.8 | Low | 113 Ų | 113 | 64.7 Ų | 64.7 | 93% | 0.934 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -58.6 | 127.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 382 | G | 44 | Very low | 64.5 | Low | 67 Ų | 67 | 67 Ų | 67 | 69% | 0.691 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 174.4 | -35.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A380 | A380-G382 PolarHBondContact O-N 3.02Š|
| 383 | C | 42 | Very low | 64.4 | Low | 49 Ų | 49 | 67.5 Ų | 67.5 | 33% | 0.331 | 43% | 0.434 | S | S | . | . | trans | -147.3 | 129.8 | 174 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 384 | P | 45.2 | Very low | 64.3 | Low | 104 Ų | 104 | 62.6 Ų | 62.6 | 68% | 0.675 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -69.6 | -34.7 | 179.1 | 27.1 | -33.1 | 0 | 0 | 0 | 112.7 | S388 | P384-S388 PolarHBondContact O-N 2.87Å |
| 385 | D | 51.1 | Low | 64.3 | Low | 112 Ų | 112 | 65.7 Ų | 65.7 | 60% | 0.599 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -81.3 | -43.8 | -163.8 | -56.8 | -33.1 | 0 | 0 | 0 | 113.2 | G387 S388 Q389 | D385-G387 VanDerWaalsContact C-N 3.34Å; D385-G387 PolarHBondContact O-N 3.41Å; D385-S388 WeakPolarHBondContact O-CB 3.23Å; D385-S388 PolarHBondContact O-N 2.8Å; D385-S388 VanDerWaalsContact O-N 3.09Å; D385-S388 PolarHBondContact O-OG 3.05Å; D385-Q389 PolarHBondContact O-N 2.99Å; D385-Q389 VanDerWaalsContact O-N 3.15Å |
| 386 | S | 50.4 | Low | 64.5 | Low | 42 Ų | 42 | 72.4 Ų | 72.4 | 29% | 0.294 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 179.6 | 62.1 | 0 | 0 | 0 | 0 | 112.1 | S388 Q389 S390 | S386-S388 PolarHBondContact O-N 2.96Å; S386-Q389 PolarHBondContact O-N 2.81Å; S386-S390 PolarHBondContact O-N 2.81Å |
| 387 | G | 57 | Low | 65.4 | Low | 22 Ų | 22 | 70.8 Ų | 70.8 | 23% | 0.227 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -60.7 | -32.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | D385 K391 | D385-G387 VanDerWaalsContact C-N 3.34Å; D385-G387 PolarHBondContact O-N 3.41Å; G387-K391 VanDerWaalsContact O-CB 3.28Å; G387-K391 WeakPolarHBondContact O-CB 3.48Å; G387-K391 PolarHBondContact O-N 2.97Å |
| 388 | S | 65.1 | Low | 66.5 | Low | 59 Ų | 59 | 62.7 Ų | 62.7 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -70.3 | -45.6 | 175.9 | 85.5 | 0 | 0 | 0 | 0 | 112 | P384 D385 S386 K391 L392 | P384-S388 PolarHBondContact O-N 2.87Å; D385-S388 WeakPolarHBondContact O-CB 3.23Å; D385-S388 PolarHBondContact O-N 2.8Å; D385-S388 VanDerWaalsContact O-N 3.09Å; D385-S388 PolarHBondContact O-OG 3.05Å; S386-S388 PolarHBondContact O-N 2.96Å; S388-K391 PolarHBondContact O-N 3.11Å; S388-L392 WeakPolarHBondContact O-CB 3.49Å; S388-L392 VanDerWaalsContact O-CG 3.31Å; S388-L392 WeakPolarHBondContact O-CG 3.29Å; S388-L392 PolarHBondContact O-N 3.25Å |
| 389 | Q | 77.9 | Confident | 68.3 | Low | 97 Ų | 97 | 64.9 Ų | 64.9 | 45% | 0.453 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.4 | -49.3 | -175.1 | -169.6 | -174.7 | 62.5 | 0 | 0 | 111.5 | D385 S386 K391 L392 Q393 | D385-Q389 PolarHBondContact O-N 2.99Å; D385-Q389 VanDerWaalsContact O-N 3.15Å; S386-Q389 PolarHBondContact O-N 2.81Å; Q389-K391 VanDerWaalsContact C-N 3.29Å; Q389-K391 PolarHBondContact O-N 3.12Å; Q389-L392 PolarHBondContact O-N 3.27Å; Q389-Q393 WeakPolarHBondContact O-CB 3.18Å; Q389-Q393 WeakPolarHBondContact O-CG 3.39Å; Q389-Q393 PolarHBondContact O-N 3.26Å |
| 390 | S | 79.9 | Confident | 70.2 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.1 | -37.1 | 177.4 | -71.9 | 0 | 0 | 0 | 0 | 112.7 | R373 L374 S386 W394 | R373-S390 WeakPolarHBondContact O-CB 3.48Å; R373-S390 PolarHBondContact O-OG 3.29Å; R373-S390 VanDerWaalsContact O-OG 3.14Å; L374-S390 VanDerWaalsContact CD2-O 3.29Å; L374-S390 WeakPolarHBondContact CD2-O 3.36Å; S386-S390 PolarHBondContact O-N 2.81Å; S390-W394 WeakPolarHBondContact O-CB 3.02Å; S390-W394 PolarHBondContact O-N 3.24Å |
| 391 | K | 82.7 | Confident | 72.5 | Confident | 81 Ų | 81 | 62.1 Ų | 62.1 | 35% | 0.352 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.4 | -45.5 | 176.5 | 178 | 162.9 | 179.4 | 161.1 | 0 | 111.7 | S376 G387 S388 Q389 Q393 W394 H395 | S376-K391 WeakPolarHBondContact O-CD 3.27Å; S376-K391 VanDerWaalsContact O-CE 3.3Å; S376-K391 WeakPolarHBondContact O-CE 3.35Å; S376-K391 PolarHBondContact O-NZ 3.39Å; G387-K391 VanDerWaalsContact O-CB 3.28Å; G387-K391 WeakPolarHBondContact O-CB 3.48Å; G387-K391 PolarHBondContact O-N 2.97Å; S388-K391 PolarHBondContact O-N 3.11Å; Q389-K391 VanDerWaalsContact C-N 3.29Å; Q389-K391 PolarHBondContact O-N 3.12Å; K391-Q393 VanDerWaalsContact C-N 3.35Å; K391-Q393 PolarHBondContact O-N 3.1Å; K391-W394 PolarHBondContact O-N 2.85Å; K391-H395 VanDerWaalsContact CE-NE2 3.32Å; K391-H395 WeakPolarHBondContact CE-NE2 3.06Å; K391-H395 PolarHBondContact O-CD2 3.22Å; K391-H395 PolarHBondContact O-N 3Å |
| 392 | L | 86.8 | Confident | 75.2 | Confident | 97 Ų | 97 | 60.1 Ų | 60.1 | 51% | 0.508 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 175.7 | -74.5 | 165.8 | 0 | 0 | 0 | 111.6 | S388 Q389 H395 R396 | S388-L392 WeakPolarHBondContact O-CB 3.49Å; S388-L392 VanDerWaalsContact O-CG 3.31Å; S388-L392 WeakPolarHBondContact O-CG 3.29Å; S388-L392 PolarHBondContact O-N 3.25Å; Q389-L392 PolarHBondContact O-N 3.27Å; L392-H395 PolarHBondContact O-N 2.93Å; L392-R396 WeakPolarHBondContact O-CG 3.42Å; L392-R396 PolarHBondContact O-N 3.04Å |
| 393 | Q | 88.6 | Confident | 77.5 | Confident | 16 Ų | 16 | 62.2 Ų | 62.2 | 8% | 0.075 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.8 | -48.5 | 174.5 | -78.5 | 179.9 | -0.7 | 0 | 0 | 111.8 | L374 Q389 K391 H395 R396 V397 M407 T408 | L374-Q393 HydrophobicContact CD2-CB 4.03Å; Q389-Q393 WeakPolarHBondContact O-CB 3.18Å; Q389-Q393 WeakPolarHBondContact O-CG 3.39Å; Q389-Q393 PolarHBondContact O-N 3.26Å; K391-Q393 VanDerWaalsContact C-N 3.35Å; K391-Q393 PolarHBondContact O-N 3.1Å; Q393-H395 PolarHBondContact O-N 2.96Å; Q393-R396 PolarHBondContact O-N 2.89Å; Q393-V397 PolarHBondContact O-N 3.22Å; Q393-M407 HydrophobicContact CB-CG 4.3Å; Q393-M407 HydrophobicContact CB-SD 3.73Å; Q393-M407 HydrophobicContact CG-CG 4.25Å; Q393-M407 HydrophobicContact CG-SD 4.33Å; Q393-T408 PolarHBondContact NE2-O 3.4Å |
| 394 | W | 90.6 | Very high | 80 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 0% | 0.004 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 175.8 | -171 | -117.6 | 0 | 0 | 0 | 112.2 | L284 L310 L347 L352 L374 G375 S390 K391 R396 V397 L398 | L284-W394 HydrophobicContact CD2-CH2 3.64Å; L284-W394 HydrophobicContact CD2-CZ3 4.07Å; L310-W394 HydrophobicContact CD1-CH2 4.32Å; L347-W394 HydrophobicContact CB-CZ2 4.47Å; L347-W394 HydrophobicContact CD2-CH2 4.36Å; L347-W394 HydrophobicContact CD2-CZ2 4.25Å; L347-W394 PolarHBondContact O-NE1 3.28Å; L347-W394 VanDerWaalsContact O-NE1 3.14Å; L352-W394 HydrophobicContact CB-CH2 3.95Å; L352-W394 HydrophobicContact CB-CZ3 3.94Å; L352-W394 HydrophobicContact CD2-CH2 4.39Å; L352-W394 HydrophobicContact CD2-CZ3 3.81Å; L374-W394 HydrophobicContact CB-CB 4.39Å; L374-W394 HydrophobicContact CB-CD2 4.24Å; L374-W394 HydrophobicContact CB-CE3 3.76Å; L374-W394 HydrophobicContact CB-CZ3 4.38Å; L374-W394 HydrophobicContact CD1-CE3 4.42Å; G375-W394 VanDerWaalsContact C-CD1 3.46Å; S390-W394 WeakPolarHBondContact O-CB 3.02Å; S390-W394 PolarHBondContact O-N 3.24Å; K391-W394 PolarHBondContact O-N 2.85Å; W394-R396 PolarHBondContact O-N 3.37Å; W394-V397 PolarHBondContact O-N 2.73Å; W394-L398 WeakPolarHBondContact O-CG 3.19Å; W394-L398 PolarHBondContact O-N 2.89Å |
| 395 | H | 89.8 | Confident | 82.3 | Confident | 67 Ų | 67 | 61.7 Ų | 61.7 | 31% | 0.31 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 175.8 | -80.1 | -68.4 | 0 | 0 | 0 | 112.9 | K391 L392 Q393 V397 L398 S399 | K391-H395 VanDerWaalsContact CE-NE2 3.32Å; K391-H395 WeakPolarHBondContact CE-NE2 3.06Å; K391-H395 PolarHBondContact O-CD2 3.22Å; K391-H395 PolarHBondContact O-N 3Å; L392-H395 PolarHBondContact O-N 2.93Å; Q393-H395 PolarHBondContact O-N 2.96Å; H395-V397 VanDerWaalsContact C-N 3.35Å; H395-V397 PolarHBondContact O-N 3.02Å; H395-L398 PolarHBondContact O-N 2.76Å; H395-S399 WeakPolarHBondContact O-CB 3.49Å; H395-S399 PolarHBondContact O-N 3.49Å; H395-S399 PolarHBondContact O-OG 3.39Å |
| 396 | R | 90.1 | Very high | 84.3 | Confident | 146 Ų | 146 | 60.5 Ų | 60.5 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.7 | -45.3 | 174.7 | -68.8 | 172.1 | -162.1 | -179.4 | 3.7 | 111.9 | L392 Q393 W394 L398 S399 S400 T405 | L392-R396 WeakPolarHBondContact O-CG 3.42Å; L392-R396 PolarHBondContact O-N 3.04Å; Q393-R396 PolarHBondContact O-N 2.89Å; W394-R396 PolarHBondContact O-N 3.37Å; R396-L398 VanDerWaalsContact C-N 3.29Å; R396-L398 PolarHBondContact O-N 3.48Å; R396-S399 PolarHBondContact O-N 3.42Å; R396-S400 VanDerWaalsContact O-CB 3.32Å; R396-S400 WeakPolarHBondContact O-CB 3.44Å; R396-S400 PolarHBondContact O-N 3.05Å; R396-S400 PolarHBondContact O-OG 3.16Å; R396-T405 HydrophobicContact CB-CG2 4.02Å |
| 397 | V | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 178 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | A259 L284 Q393 W394 H395 T405 M407 | A259-V397 HydrophobicContact CB-CG1 3.86Å; A259-V397 HydrophobicContact CB-CG2 3.73Å; L284-V397 HydrophobicContact CD1-CG1 4.09Å; Q393-V397 PolarHBondContact O-N 3.22Å; W394-V397 PolarHBondContact O-N 2.73Å; H395-V397 VanDerWaalsContact C-N 3.35Å; H395-V397 PolarHBondContact O-N 3.02Å; V397-T405 HydrophobicContact CG2-CG2 4.11Å; V397-M407 HydrophobicContact CG2-CE 3.96Å; V397-M407 HydrophobicContact CG2-SD 3.64Å |
| 398 | L | 89.9 | Confident | 88.1 | Confident | 12 Ų | 12 | 61 Ų | 61 | 6% | 0.063 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -83.7 | -27.6 | -178.9 | -58.5 | -175.3 | 0 | 0 | 0 | 113.8 | L261 L347 R348 W394 H395 R396 | L261-L398 HydrophobicContact CD2-CD2 3.88Å; L347-L398 HydrophobicContact CB-CD1 4.25Å; L347-L398 HydrophobicContact CB-CD2 3.71Å; L347-L398 HydrophobicContact CD1-CD2 4.01Å; L347-L398 HydrophobicContact CG-CD2 4.47Å; R348-L398 HydrophobicContact CB-CD1 4.5Å; R348-L398 HydrophobicContact CG-CD1 3.82Å; W394-L398 WeakPolarHBondContact O-CG 3.19Å; W394-L398 PolarHBondContact O-N 2.89Å; H395-L398 PolarHBondContact O-N 2.76Å; R396-L398 VanDerWaalsContact C-N 3.29Å; R396-L398 PolarHBondContact O-N 3.48Å |
| 399 | S | 89 | Confident | 89.3 | Confident | 93 Ų | 93 | 58.3 Ų | 58.3 | 65% | 0.65 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -85.4 | -14.9 | 177 | -69.4 | 0 | 0 | 0 | 0 | 113.6 | H395 R396 P401 | H395-S399 WeakPolarHBondContact O-CB 3.49Å; H395-S399 PolarHBondContact O-N 3.49Å; H395-S399 PolarHBondContact O-OG 3.39Å; R396-S399 PolarHBondContact O-N 3.42Å; S399-P401 WeakPolarHBondContact O-CD 3.43Å |
| 400 | S | 88.9 | Confident | 89.9 | Confident | 43 Ų | 43 | 56 Ų | 56 | 30% | 0.301 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -115.6 | 61.3 | 178.1 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | R396 L403 | R396-S400 VanDerWaalsContact O-CB 3.32Å; R396-S400 WeakPolarHBondContact O-CB 3.44Å; R396-S400 PolarHBondContact O-N 3.05Å; R396-S400 PolarHBondContact O-OG 3.16Å; S400-L403 PolarHBondContact O-N 3.3Å |
| 401 | P | 88 | Confident | 90.3 | Very high | 55 Ų | 55 | 54.7 Ų | 54.7 | 36% | 0.357 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 149.3 | 179.7 | 28.5 | -35.8 | 0 | 0 | 0 | 111.3 | L263 S399 L403 | L263-P401 HydrophobicContact CD1-CB 3.74Å; L263-P401 HydrophobicContact CD1-CG 4.39Å; L263-P401 HydrophobicContact CG-CB 4.12Å; S399-P401 WeakPolarHBondContact O-CD 3.43Å; P401-L403 PolarHBondContact O-N 2.9Å |
| 402 | N | 90.3 | Very high | 90.3 | Very high | 72 Ų | 72 | 55 Ų | 55 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | -2.5 | -175.1 | -63.9 | -40.9 | 0 | 0 | 0 | 116.3 | K260 L261 V262 L263 | K260-N402 WeakPolarHBondContact CE-O 3.47Å; K260-N402 PolarHBondContact NZ-O 2.84Å; L261-N402 PolarHBondContact O-N 2.65Å; V262-N402 WeakPolarHBondContact CA-OD1 3.38Å; L263-N402 PolarHBondContact N-OD1 3.31Å; L263-N402 VanDerWaalsContact N-OD1 3.12Å; L263-N402 PolarHBondContact O-ND2 2.78Å |
| 403 | L | 93.3 | Very high | 90.5 | Very high | 111 Ų | 111 | 53 Ų | 53 | 58% | 0.581 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -96.5 | 160 | 170.5 | -63.4 | 174.6 | 0 | 0 | 0 | 111.7 | K260 S400 P401 | K260-L403 WeakPolarHBondContact CA-O 3.17Å; K260-L403 WeakPolarHBondContact CB-O 3.45Å; K260-L403 VanDerWaalsContact CG-O 3.25Å; K260-L403 WeakPolarHBondContact CG-O 3.42Å; S400-L403 PolarHBondContact O-N 3.3Å; P401-L403 PolarHBondContact O-N 2.9Å |
| 404 | W | 94.1 | Very high | 90.6 | Very high | 122 Ų | 122 | 54.9 Ų | 54.9 | 46% | 0.462 | 29% | 0.285 | S | S | . | . | trans | -95.4 | 132 | 171.8 | -72.9 | 114.6 | 0 | 0 | 0 | 110 | R258 K260 C285 V287 | R258-W404 HydrophobicContact CG-CB 4.15Å; R258-W404 HydrophobicContact CG-CD2 3.87Å; R258-W404 HydrophobicContact CG-CE3 3.35Å; R258-W404 HydrophobicContact CG-CG 4.25Å; R258-W404 HydrophobicContact CG-CZ3 3.96Å; K260-W404 HydrophobicContact CB-CD2 3.7Å; K260-W404 HydrophobicContact CB-CE3 3.25Å; K260-W404 HydrophobicContact CB-CG 4.4Å; K260-W404 HydrophobicContact CB-CH2 4.2Å; K260-W404 HydrophobicContact CB-CZ3 3.54Å; K260-W404 HydrophobicContact CD-CD2 3.84Å; K260-W404 HydrophobicContact CD-CE3 4.26Å; K260-W404 HydrophobicContact CD-CG 4.18Å; K260-W404 HydrophobicContact CD-CZ2 4.24Å; K260-W404 HydrophobicContact CG-CD2 4.44Å; K260-W404 HydrophobicContact CG-CE3 4.38Å; C285-W404 HydrophobicContact CB-CH2 3.94Å; C285-W404 HydrophobicContact CB-CZ3 4.14Å; V287-W404 HydrophobicContact CG2-CH2 3.82Å; V287-W404 HydrophobicContact CG2-CZ3 3.97Å | ||
| 405 | T | 93.8 | Very high | 90.6 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.2 | 175.9 | -58.3 | 0 | 0 | 0 | 0 | 109.4 | R258 A259 R396 V397 M407 | R258-T405 WeakPolarHBondContact CA-O 3.21Å; A259-T405 PolarHBondContact N-O 3.28Å; A259-T405 PolarHBondContact O-N 3.01Å; R396-T405 HydrophobicContact CB-CG2 4.02Å; V397-T405 HydrophobicContact CG2-CG2 4.11Å; T405-M407 HydrophobicContact CG2-CG 4.06Å; T405-M407 HydrophobicContact CG2-SD 4.35Å |
| 406 | D | 94 | Very high | 90.7 | Very high | 86 Ų | 86 | 57.4 Ų | 57.4 | 46% | 0.46 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 136.7 | 177.9 | -72.1 | 5 | 0 | 0 | 0 | 110.8 | R258 | R258-D406 WeakPolarHBondContact CB-OD1 3.26Å; R258-D406 VanDerWaalsContact CG-OD1 3.29Å; R258-D406 WeakPolarHBondContact CG-OD1 3.48Å; R258-D406 IonicContact CZ-OD1 3.47Å; R258-D406 IonicContact CZ-OD2 3.55Å; R258-D406 IonicContact NE-OD1 2.69Å; R258-D406 PolarHBondContact NE-OD1 3.49Å; R258-D406 IonicContact NE-OD2 3.53Å; R258-D406 IonicContact NH2-OD1 3.4Å; R258-D406 PolarHBondContact NH2-OD1 2.98Å; R258-D406 IonicContact NH2-OD2 2.72Å; R258-D406 PolarHBondContact NH2-OD2 2.86Å |
| 407 | M | 92.9 | Very high | 90.7 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 135 | -171.1 | -55.3 | 179.6 | -60.2 | 0 | 0 | 109.8 | V257 A259 L374 Q393 V397 T405 L409 | V257-M407 HydrophobicContact CG2-CB 3.97Å; V257-M407 HydrophobicContact CG2-CE 3.69Å; V257-M407 PolarHBondContact N-O 2.93Å; V257-M407 PolarHBondContact O-N 2.99Å; A259-M407 HydrophobicContact CB-CE 3.56Å; L374-M407 HydrophobicContact CD1-CE 3.75Å; L374-M407 HydrophobicContact CD1-SD 4.38Å; Q393-M407 HydrophobicContact CB-CG 4.3Å; Q393-M407 HydrophobicContact CB-SD 3.73Å; Q393-M407 HydrophobicContact CG-CG 4.25Å; Q393-M407 HydrophobicContact CG-SD 4.33Å; V397-M407 HydrophobicContact CG2-CE 3.96Å; V397-M407 HydrophobicContact CG2-SD 3.64Å; T405-M407 HydrophobicContact CG2-CG 4.06Å; T405-M407 HydrophobicContact CG2-SD 4.35Å; M407-L409 HydrophobicContact CB-CD2 4.37Å |
| 408 | T | 92.5 | Very high | 90.7 | Very high | 66 Ų | 66 | 55.3 Ų | 55.3 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.1 | 164.4 | -56.5 | 0 | 0 | 0 | 0 | 107.5 | E254 Q393 | E254-T408 HydrophobicContact CB-CG2 3.93Å; E254-T408 HydrophobicContact CG-CG2 4.27Å; Q393-T408 PolarHBondContact NE2-O 3.4Å |
| 409 | L | 91.5 | Very high | 90.7 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.4 | -178.7 | -50.5 | 178.7 | 0 | 0 | 0 | 108.8 | E254 L255 V257 L354 A372 L374 M407 | E254-L409 CarbonylContact C-O 3.51Å; E254-L409 VanDerWaalsContact CA-O 3.3Å; E254-L409 WeakPolarHBondContact CA-O 3.11Å; L255-L409 HydrophobicContact CB-CB 4.44Å; L255-L409 PolarHBondContact N-O 2.85Å; L255-L409 PolarHBondContact O-N 3.27Å; V257-L409 HydrophobicContact CG1-CD1 4.33Å; V257-L409 HydrophobicContact CG2-CD1 3.93Å; V257-L409 HydrophobicContact CG2-CG 4.17Å; L354-L409 HydrophobicContact CD1-CD1 3.57Å; A372-L409 HydrophobicContact CB-CB 3.73Å; A372-L409 HydrophobicContact CB-CD1 3.87Å; A372-L409 HydrophobicContact CB-CG 4.38Å; L374-L409 HydrophobicContact CD1-CD1 4.18Å; L374-L409 HydrophobicContact CD1-CD2 4.15Å; L374-L409 HydrophobicContact CD2-CD2 3.83Å; L374-L409 HydrophobicContact CG-CD1 4.5Å; L374-L409 HydrophobicContact CG-CD2 4.13Å; M407-L409 HydrophobicContact CB-CD2 4.37Å |
| 410 | V | 89.6 | Confident | 90.9 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 30% | 0.297 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 134.5 | 165.4 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | ||
| 411 | L | 89 | Confident | 91 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -91.6 | 131.4 | 172 | -63.1 | 169.5 | 0 | 0 | 0 | 108.9 | N252 G253 L255 L294 V356 E371 A372 | N252-L411 HydrophobicContact CB-CB 3.95Å; N252-L411 PolarHBondContact N-O 2.93Å; G253-L411 WeakPolarHBondContact O-CB 3.42Å; G253-L411 PolarHBondContact O-N 2.88Å; L255-L411 HydrophobicContact CB-CD1 4.28Å; L255-L411 HydrophobicContact CB-CD2 4.02Å; L255-L411 HydrophobicContact CB-CG 4.2Å; L255-L411 HydrophobicContact CD2-CD2 4.45Å; L294-L411 HydrophobicContact CD2-CD1 3.48Å; L294-L411 VanDerWaalsContact CD2-CD1 3.48Å; V356-L411 HydrophobicContact CB-CD1 4.34Å; V356-L411 HydrophobicContact CG2-CD1 3.72Å; V356-L411 HydrophobicContact CG2-CD2 3.82Å; V356-L411 HydrophobicContact CG2-CG 4.46Å; E371-L411 WeakPolarHBondContact O-CA 3.23Å; A372-L411 HydrophobicContact CB-CD2 4.09Å | ||
| 412 | H | 83.3 | Confident | 91.3 | Very high | 89 Ų | 89 | 56.9 Ų | 56.9 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | trans | -105.4 | 0 | 173.5 | -63.7 | -47.9 | 0 | 0 | 0 | 112.1 | Q250 N252 G370 E371 | Q250-H412 WeakPolarHBondContact O-CA 3.49Å; Q250-H412 PolarHBondContact O-ND1 3.35Å; N252-H412 PolarHBondContact ND2-O 2.88Å; N252-H412 PolarHBondContact ND2-OXT 3.42Å; G370-H412 CarbonylContact C-O 3.56Å; G370-H412 WeakPolarHBondContact CA-O 3.34Å; E371-H412 PolarHBondContact N-O 3.25Å; E371-H412 PolarHBondContact O-N 2.92Å |
Retrieved 412 of 412 residues in 1203.9 ms
(Link to these results)