| 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 | 36.3 | Very low | 34.4 | Very low | 231 Ų | 231 | 159 Ų | 159 | 100% | 1.138 | 82% | 0.823 | S | S | * | * | 0 | 130.1 | 0 | -74.2 | 125.5 | 78.6 | 0 | 0 | 107.7 | |||||
| 2 | K | 33.1 | Very low | 34.3 | Very low | 197 Ų | 197 | 156.2 Ų | 156.2 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | 46.3 | 127.8 | 106.4 | -72.4 | -173.4 | 173.5 | -177.6 | 0 | 114.1 | |||||
| 3 | V | 33.3 | Very low | 33.8 | Very low | 116 Ų | 116 | 157.1 Ų | 157.1 | 70% | 0.703 | 82% | 0.815 | S | S | * | * | cis | 142.1 | 132 | -4.3 | 146.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 4 | W | 38.4 | Very low | 33.5 | Very low | 222 Ų | 222 | 158.8 Ų | 158.8 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | 67.7 | 162.2 | 166.2 | -77.9 | 18.3 | 0 | 0 | 0 | 117.2 | ||||
| 5 | L | 35.6 | Very low | 33.1 | Very low | 136 Ų | 136 | 154.3 Ų | 154.3 | 71% | 0.712 | 81% | 0.813 | S | S | * | * | cis | -115.4 | -155.7 | -5.1 | -109.6 | 138.5 | 0 | 0 | 0 | 108.1 | ||||
| 6 | L | 36.8 | Very low | 32.8 | Very low | 139 Ų | 139 | 156 Ų | 156 | 73% | 0.728 | 82% | 0.822 | S | S | * | * | cis | -150 | 172.8 | 3.8 | -135.6 | -171.9 | 0 | 0 | 0 | 108.3 | ||||
| 7 | L | 37.6 | Very low | 32.5 | Very low | 158 Ų | 158 | 157.8 Ų | 157.8 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | trans | -130 | 150.3 | 163.4 | -98.6 | 88.8 | 0 | 0 | 0 | 110.1 | ||||
| 8 | G | 33.1 | Very low | 32.2 | Very low | 73 Ų | 73 | 157.1 Ų | 157.1 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | -161.7 | 91.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 9 | L | 31.2 | Very low | 31.8 | Very low | 160 Ų | 160 | 156.2 Ų | 156.2 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | 51.5 | 101.6 | 81 | -82.8 | 164.8 | 0 | 0 | 0 | 114.2 | |||||
| 10 | L | 30.4 | Very low | 31.5 | Very low | 158 Ų | 158 | 152.8 Ų | 152.8 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | -164.1 | 113.1 | 117.9 | -105.2 | 162.3 | 0 | 0 | 0 | 110.6 | V12 | L10-V12 HydrophobicContact CD2-CG2 4.13Š| |||
| 11 | L | 32.2 | Very low | 31.2 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -93.8 | 134.9 | 157 | -92.7 | 163.2 | 0 | 0 | 0 | 107.2 | ||||
| 12 | V | 33.4 | Very low | 30.7 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 76% | 0.758 | 80% | 0.803 | S | S | * | * | trans | -126.8 | 144.4 | 162.6 | -179.8 | 0 | 0 | 0 | 0 | 107 | L10 | L10-V12 HydrophobicContact CD2-CG2 4.13Š| ||
| 13 | H | 28.4 | Very low | 30.3 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | trans | -118.6 | -169.6 | -172.2 | -135.5 | 68 | 0 | 0 | 0 | 110.1 | ||||
| 14 | E | 28.7 | Very low | 31.2 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 73.9 | 110.8 | 179.3 | -50.5 | -174.8 | 152 | 0 | 0 | 112.4 | ||||
| 15 | A | 28.3 | Very low | 31.2 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | cis | 78.2 | 124 | 34.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 16 | L | 27.9 | Very low | 31 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | trans | -146.5 | 122.3 | 165.3 | -149.2 | 85.2 | 0 | 0 | 0 | 107.4 | ||||
| 17 | E | 28.2 | Very low | 30.5 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -100.4 | 139.5 | 179.9 | -73.7 | -173.1 | 126.9 | 0 | 0 | 112.5 | ||||
| 18 | D | 27.2 | Very low | 30 | Very low | 144 Ų | 144 | 146 Ų | 146 | 77% | 0.77 | 82% | 0.818 | S | S | * | * | trans | 23.7 | 126.3 | 138.1 | -164.4 | 14 | 0 | 0 | 0 | 120.9 | ||||
| 19 | V | 24.1 | Very low | 29.9 | Very low | 141 Ų | 141 | 153.9 Ų | 153.9 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -138.9 | 128.5 | 143.6 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 20 | A | 26.4 | Very low | 29.9 | Very low | 88 Ų | 88 | 151.6 Ų | 151.6 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -50.5 | 166.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 21 | G | 24.3 | Very low | 29.6 | Very low | 68 Ų | 68 | 152.5 Ų | 152.5 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | cis | 151.9 | -143.7 | -0.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 22 | Q | 25.8 | Very low | 29.3 | Very low | 201 Ų | 201 | 150.9 Ų | 150.9 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | 79.7 | 131.9 | 171.9 | -55.4 | -175.2 | -2.8 | 0 | 0 | 120.1 | ||||
| 23 | Q | 25.4 | Very low | 29 | Very low | 184 Ų | 184 | 153 Ų | 153 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -122.5 | -171.8 | 157.7 | -62.5 | -175.8 | -14.3 | 0 | 0 | 107.9 | ||||
| 24 | P | 52.6 | Low | 28.9 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | -109.7 | -167.7 | -79.5 | 37 | -21.2 | 0 | 0 | 0 | 110.3 | |||||
| 25 | P | 37.8 | Very low | 28.8 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | -156 | 170.3 | 98.3 | 39.5 | -20.5 | 0 | 0 | 0 | 118.5 | |||||
| 26 | K | 30.3 | Very low | 28.8 | Very low | 200 Ų | 200 | 148 Ų | 148 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | trans | -32.1 | 146.8 | 162.4 | -55.8 | 154.1 | -177.2 | 168.5 | 0 | 116.4 | ||||
| 27 | S | 27.2 | Very low | 28.8 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -115.6 | 163.1 | 155.1 | 66.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 28 | K | 27.4 | Very low | 28.9 | Very low | 201 Ų | 201 | 147.6 Ų | 147.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -126.2 | 160 | -176.9 | -76.6 | 177.6 | 175.9 | 174.7 | 0 | 111.4 | ||||
| 29 | R | 31 | Very low | 29.1 | Very low | 240 Ų | 240 | 150.2 Ų | 150.2 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | trans | -62.5 | 150.5 | 172.4 | -69.2 | -177.2 | -178.8 | 174.6 | -1.8 | 114.6 | ||||
| 30 | P | 30.2 | Very low | 29.5 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -91.9 | 151.3 | 127.5 | -12.5 | 31.1 | 0 | 0 | 0 | 110.7 | |||||
| 31 | K | 24.7 | Very low | 29.4 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | cis | 64.4 | 132.5 | 49.6 | -82.4 | -173.1 | 160.8 | -120 | 0 | 112.4 | ||||
| 32 | E | 27.2 | Very low | 29.6 | Very low | 126 Ų | 126 | 154 Ų | 154 | 59% | 0.589 | 78% | 0.784 | S | S | * | * | cis | -162.7 | -172.5 | -1.3 | -136.5 | 170 | 128.3 | 0 | 0 | 108.4 | ||||
| 33 | Q | 25.5 | Very low | 29.7 | Very low | 168 Ų | 168 | 153.6 Ų | 153.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | cis | -159.9 | 171.5 | 5.9 | -161.1 | 169.4 | 75.8 | 0 | 0 | 110.5 | ||||
| 34 | G | 27 | Very low | 29.9 | Very low | 68 Ų | 68 | 154.4 Ų | 154.4 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 94.7 | 104.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 35 | D | 26.6 | Very low | 28.6 | Very low | 135 Ų | 135 | 153.7 Ų | 153.7 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | cis | 81.4 | 106.5 | 36.7 | -165.7 | 27.5 | 0 | 0 | 0 | 115.6 | ||||
| 36 | N | 27.9 | Very low | 28.2 | Very low | 133 Ų | 133 | 157.9 Ų | 157.9 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | -175.8 | 108.7 | 121.6 | -103.8 | -78.9 | 0 | 0 | 0 | 114 | |||||
| 37 | R | 28.7 | Very low | 28.1 | Very low | 212 Ų | 212 | 154 Ų | 154 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | 45 | 146 | 123.8 | -121 | 179.3 | 178.8 | 175.3 | -0.3 | 123.9 | |||||
| 38 | I | 29.8 | Very low | 28.4 | Very low | 149 Ų | 149 | 158 Ų | 158 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | 92.2 | 124.5 | 154.6 | -58.4 | 162.7 | 0 | 0 | 0 | 118.8 | ||||
| 39 | K | 31.1 | Very low | 28.6 | Very low | 198 Ų | 198 | 156 Ų | 156 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -101.9 | 155 | 159.2 | -76.7 | 177.5 | 173.2 | 174.3 | 0 | 109.2 | ||||
| 40 | P | 32.4 | Very low | 28.5 | Very low | 113 Ų | 113 | 150.2 Ų | 150.2 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | -146.5 | 136.4 | 116.3 | 33.5 | -16.4 | 0 | 0 | 0 | 117.4 | |||||
| 41 | T | 25.2 | Very low | 28.4 | Very low | 118 Ų | 118 | 154.7 Ų | 154.7 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | 40.1 | 116.8 | 142.3 | 59.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 42 | N | 28.6 | Very low | 28.8 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | 51.2 | 112.4 | 124.2 | -61.6 | -17.1 | 0 | 0 | 0 | 122.3 | |||||
| 43 | K | 28.1 | Very low | 29 | Very low | 194 Ų | 194 | 156.2 Ų | 156.2 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | 176.5 | 142.7 | 100.6 | -98.9 | 164.7 | -174.9 | 169.2 | 0 | 116.3 | |||||
| 44 | K | 28.1 | Very low | 29.2 | Very low | 200 Ų | 200 | 155 Ų | 155 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | trans | 70.3 | 154 | 147.3 | -74.9 | -173.7 | 173.1 | -174.1 | 0 | 122.1 | ||||
| 45 | A | 25.6 | Very low | 29.6 | Very low | 96 Ų | 96 | 161.4 Ų | 161.4 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | 68.3 | 111 | 158.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 46 | K | 30.6 | Very low | 29.8 | Very low | 208 Ų | 208 | 162.5 Ų | 162.5 | 90% | 0.904 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 123.8 | 156.3 | -78.9 | -175.8 | 174.1 | -178.6 | 0 | 110.1 | ||
| 47 | P | 28 | Very low | 30 | Very low | 120 Ų | 120 | 160.3 Ų | 160.3 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 160.2 | 153.7 | -11.5 | 29.1 | 0 | 0 | 0 | 110.9 | ||
| 48 | K | 32.7 | Very low | 30.3 | Very low | 206 Ų | 206 | 154 Ų | 154 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 143.7 | 168.1 | -67.4 | 175.6 | -180 | 173.4 | 0 | 109.6 | ||
| 49 | I | 31.1 | Very low | 30.9 | Very low | 160 Ų | 160 | 155.1 Ų | 155.1 | 82% | 0.821 | 80% | 0.8 | S | S | * | * | trans | -125.7 | 143.9 | 161.9 | -65 | -179.1 | 0 | 0 | 0 | 107.2 | ||||
| 50 | P | 29 | Very low | 31.1 | Very low | 118 Ų | 118 | 150.4 Ų | 150.4 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 158 | -164.5 | -18.4 | 33.8 | 0 | 0 | 0 | 114.8 | ||
| 51 | K | 29.6 | Very low | 31.4 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 124.1 | 165 | -67.8 | -177.2 | 175.7 | -174.4 | 0 | 109.7 | ||
| 52 | I | 31.6 | Very low | 32.3 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 153.1 | 149.4 | -67 | 178.9 | 0 | 0 | 0 | 107.5 | ||
| 53 | K | 32.7 | Very low | 33.2 | Very low | 181 Ų | 181 | 152.1 Ų | 152.1 | 79% | 0.787 | 79% | 0.79 | S | S | * | * | trans | -120.9 | 82.8 | -167.2 | -179.3 | -167.2 | 173.6 | -177.5 | 0 | 109.1 | ||||
| 54 | D | 28.2 | Very low | 34.6 | Very low | 142 Ų | 142 | 147 Ų | 147 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | trans | -63 | 139.3 | 168.8 | -66 | -52.8 | 0 | 0 | 0 | 109.9 | ||||
| 55 | R | 36.3 | Very low | 36.7 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -131.2 | 65.7 | -165.9 | -173 | -164 | 172.5 | 169.1 | -1.1 | 108.7 | S57 | R55-S57 VanDerWaalsContact C-N 3.33Å; R55-S57 PolarHBondContact O-N 3.33Å; R55-S57 PolarHBondContact O-OG 2.86Å | ||
| 56 | D | 29.9 | Very low | 39.7 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | trans | -60.7 | 99.6 | 169.2 | -68.4 | -38.5 | 0 | 0 | 0 | 108.8 | A58 | D56-A58 VanDerWaalsContact C-N 3.34Å; D56-A58 PolarHBondContact O-N 3.13Å; D56-A58 VanDerWaalsContact O-N 3.13Å | ||
| 57 | S | 33.4 | Very low | 42.8 | Very low | 86 Ų | 86 | 133.6 Ų | 133.6 | 60% | 0.601 | 71% | 0.71 | S | S | * | * | trans | -82.5 | 88.5 | 175.1 | -59.6 | 0 | 0 | 0 | 0 | 106.2 | R55 D59 | R55-S57 VanDerWaalsContact C-N 3.33Å; R55-S57 PolarHBondContact O-N 3.33Å; R55-S57 PolarHBondContact O-OG 2.86Å; S57-D59 PolarHBondContact O-N 2.8Å | ||
| 58 | A | 35.3 | Very low | 46 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 67% | 0.669 | 67% | 0.673 | S | S | * | * | trans | -57 | 121.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | D56 T60 | D56-A58 VanDerWaalsContact C-N 3.34Å; D56-A58 PolarHBondContact O-N 3.13Å; D56-A58 VanDerWaalsContact O-N 3.13Å; A58-T60 VanDerWaalsContact C-N 3.34Å; A58-T60 PolarHBondContact O-N 3.17Å; A58-T60 PolarHBondContact O-OG1 3.2Å | ||
| 59 | D | 41.4 | Very low | 49 | Very low | 172 Ų | 172 | 120.5 Ų | 120.5 | 92% | 0.92 | 65% | 0.645 | S | S | * | * | trans | -59.3 | 96.1 | 177 | -92.4 | -49.2 | 0 | 0 | 0 | 110.2 | S57 | S57-D59 PolarHBondContact O-N 2.8Š| ||
| 60 | T | 34.5 | Very low | 52.1 | Low | 98 Ų | 98 | 114 Ų | 114 | 60% | 0.601 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -101 | 117.1 | 171.5 | -47.8 | 0 | 0 | 0 | 0 | 105.8 | A58 | A58-T60 VanDerWaalsContact C-N 3.34Å; A58-T60 PolarHBondContact O-N 3.17Å; A58-T60 PolarHBondContact O-OG1 3.2Å |
| 61 | P | 40.4 | Very low | 55.2 | Low | 106 Ų | 106 | 109.3 Ų | 109.3 | 69% | 0.688 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 136.7 | 178.4 | 22.5 | -32.7 | 0 | 0 | 0 | 109.4 | K63 | P61-K63 PolarHBondContact O-N 3.08Å; P61-K63 VanDerWaalsContact O-N 3.08Å |
| 62 | P | 42.4 | Very low | 58 | Low | 124 Ų | 124 | 103.3 Ų | 103.3 | 81% | 0.805 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 119.3 | -170.9 | 23.1 | -33.3 | 0 | 0 | 0 | 109.8 | S64 | P62-S64 PolarHBondContact O-N 3.06Š|
| 63 | K | 48.2 | Very low | 60.3 | Low | 183 Ų | 183 | 103.9 Ų | 103.9 | 80% | 0.796 | 56% | 0.563 | S | S | * | * | trans | -60.8 | 100.2 | -179.3 | -68.7 | -178.8 | 178.4 | 179 | 0 | 109.6 | P61 Q65 | P61-K63 PolarHBondContact O-N 3.08Å; P61-K63 VanDerWaalsContact O-N 3.08Å; K63-Q65 PolarHBondContact O-N 2.87Å | ||
| 64 | S | 58 | Low | 62.4 | Low | 85 Ų | 85 | 99 Ų | 99 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | trans | -58.7 | 112 | 179.5 | 46.6 | 0 | 0 | 0 | 0 | 110.1 | P62 S66 | P62-S64 PolarHBondContact O-N 3.06Å; S64-S66 PolarHBondContact O-N 3.18Å; S64-S66 VanDerWaalsContact O-N 3.15Å | ||
| 65 | Q | 71.8 | Confident | 64.8 | Low | 166 Ų | 166 | 95 Ų | 95 | 78% | 0.776 | 56% | 0.556 | S | S | * | * | trans | -82.2 | 97.1 | 178.3 | -67.3 | -168.6 | 2.4 | 0 | 0 | 108.3 | K63 I67 | K63-Q65 PolarHBondContact O-N 2.87Å; Q65-I67 PolarHBondContact O-N 2.59Å | ||
| 66 | S | 89.1 | Confident | 67.3 | Low | 35 Ų | 35 | 94.7 Ų | 94.7 | 25% | 0.245 | 56% | 0.555 | C | S | . | * | trans | -42.9 | 123.9 | 176 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | S64 M68 T160 G161 | S64-S66 PolarHBondContact O-N 3.18Å; S64-S66 VanDerWaalsContact O-N 3.15Å; S66-M68 PolarHBondContact O-N 3.34Å; S66-M68 PolarHBondContact OG-N 3.15Å; S66-T160 VanDerWaalsContact CA-O 3.28Å; S66-T160 WeakPolarHBondContact CA-O 3.4Å; S66-G161 VanDerWaalsContact OG-CA 3.28Å; S66-G161 WeakPolarHBondContact OG-CA 3.26Å | ||
| 67 | I | 94.3 | Very high | 70.3 | Confident | 23 Ų | 23 | 92.3 Ų | 92.3 | 12% | 0.118 | 54% | 0.538 | C | S | . | . | trans | -78.3 | -4.7 | -177.8 | 63.4 | 160.4 | 0 | 0 | 0 | 113.2 | Q65 C96 K97 R159 T160 | Q65-I67 PolarHBondContact O-N 2.59Å; I67-C96 HydrophobicContact CD1-CB 3.96Å; I67-C96 HydrophobicContact CG1-CB 4.21Å; I67-C96 WeakPolarHBondContact O-CA 3.28Å; I67-K97 HydrophobicContact CB-CB 4.3Å; I67-K97 PolarHBondContact O-N 3.4Å; I67-R159 HydrophobicContact CD1-CB 4.44Å; I67-R159 WeakPolarHBondContact CD1-O 3.31Å; I67-R159 HydrophobicContact CG2-CB 3.88Å; I67-R159 HydrophobicContact CG2-CG 4.17Å; I67-T160 PolarHBondContact N-O 3.03Å | ||
| 68 | M | 96.6 | Very high | 73.1 | Confident | 0 Ų | 0 | 94.1 Ų | 94.1 | 0% | 0 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 134.2 | -175.6 | -174.1 | -178.7 | -77.3 | 0 | 0 | 112.1 | S66 P80 L94 R95 W103 C143 G161 T163 | S66-M68 PolarHBondContact O-N 3.34Å; S66-M68 PolarHBondContact OG-N 3.15Å; M68-P80 HydrophobicContact CG-CG 3.93Å; M68-P80 WeakPolarHBondContact O-CD 3.28Å; M68-P80 HydrophobicContact SD-CG 3.83Å; M68-L94 HydrophobicContact CE-CD1 4.17Å; M68-L94 HydrophobicContact CG-CD2 4.49Å; M68-L94 HydrophobicContact SD-CD1 4.04Å; M68-L94 HydrophobicContact SD-CD2 4.21Å; M68-R95 CarbonylContact C-O 3.56Å; M68-R95 WeakPolarHBondContact CA-O 3.4Å; M68-W103 HydrophobicContact CE-CZ3 4.02Å; M68-C143 HydrophobicContact CE-CB 4.23Å; M68-G161 WeakPolarHBondContact CE-O 3.2Å; M68-T163 HydrophobicContact SD-CG2 3.8Å |
| 69 | V | 96.1 | Very high | 75.9 | Confident | 50 Ų | 50 | 96.4 Ų | 96.4 | 30% | 0.303 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 145.2 | 164.7 | -63 | 0 | 0 | 0 | 0 | 109.8 | F77 Q78 R95 | V69-F77 HydrophobicContact CB-CB 4.44Å; V69-F77 HydrophobicContact CG2-CB 4.37Å; V69-F77 HydrophobicContact CG2-CD1 4.19Å; V69-Q78 CarbonylContact C-O 3.56Å; V69-Q78 WeakPolarHBondContact CA-O 3.35Å; V69-R95 HydrophobicContact CG2-CB 4.04Å; V69-R95 PolarHBondContact N-O 2.8Å; V69-R95 PolarHBondContact O-N 3.18Å |
| 70 | Q | 95.3 | Very high | 78.4 | Confident | 23 Ų | 23 | 88.7 Ų | 88.7 | 11% | 0.107 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 137.2 | 167.8 | -176.6 | 176.8 | 5 | 0 | 0 | 108.6 | M72 F77 Q78 P80 M84 E93 L94 | Q70-M72 HydrophobicContact CG-SD 3.86Å; Q70-F77 WeakPolarHBondContact O-CA 3.5Å; Q70-Q78 PolarHBondContact N-O 2.75Å; Q70-Q78 PolarHBondContact O-N 2.85Å; Q70-P80 HydrophobicContact CB-CB 4.43Å; Q70-M84 PolarHBondContact OE1-SD 3.27Å; Q70-M84 VanDerWaalsContact OE1-SD 3.34Å; Q70-E93 WeakPolarHBondContact CA-O 3.1Å; Q70-L94 HydrophobicContact CB-CD2 4.01Å; Q70-L94 HydrophobicContact CG-CD2 4.23Å |
| 71 | A | 93.6 | Very high | 81.3 | Confident | 21 Ų | 21 | 86.7 Ų | 86.7 | 17% | 0.174 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 134.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | F77 E93 | A71-F77 HydrophobicContact CB-CD1 3.97Å; A71-F77 HydrophobicContact CB-CE1 3.68Å; A71-E93 HydrophobicContact CB-CB 4.06Å; A71-E93 HydrophobicContact CB-CG 4.04Å; A71-E93 PolarHBondContact N-O 2.71Å |
| 72 | M | 89.6 | Confident | 83.9 | Confident | 79 Ų | 79 | 85.3 Ų | 85.3 | 39% | 0.389 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 158.6 | -179.1 | -55.1 | -63.4 | -68.5 | 0 | 0 | 109.8 | Q70 G74 G75 R76 Q78 | Q70-M72 HydrophobicContact CG-SD 3.86Å; M72-G74 PolarHBondContact O-N 3.32Å; M72-G75 PolarHBondContact O-N 3.17Å; M72-R76 HydrophobicContact CB-CB 4.35Å; M72-R76 PolarHBondContact N-O 3.45Å; M72-R76 PolarHBondContact O-N 2.97Å; M72-Q78 HydrophobicContact CG-CB 4.48Å |
| 73 | D | 80.2 | Confident | 86.4 | Confident | 165 Ų | 165 | 81.7 Ų | 81.7 | 88% | 0.882 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 139.5 | 175 | -66.4 | -41.8 | 0 | 0 | 0 | 112.2 | G75 | D73-G75 VanDerWaalsContact C-N 3.34Š|
| 74 | G | 75 | Confident | 88.6 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 83% | 0.825 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 17.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | M72 R76 | M72-G74 PolarHBondContact O-N 3.32Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 3.25Å |
| 75 | G | 79.7 | Confident | 90.4 | Very high | 56 Ų | 56 | 72.9 Ų | 72.9 | 58% | 0.577 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 21.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | M72 D73 F77 | M72-G75 PolarHBondContact O-N 3.17Å; D73-G75 VanDerWaalsContact C-N 3.34Å; G75-F77 WeakPolarHBondContact O-CE2 3.36Å |
| 76 | R | 89.3 | Confident | 91.5 | Very high | 196 Ų | 196 | 66.5 Ų | 66.5 | 74% | 0.74 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 148.1 | 176.3 | -63.1 | 178.5 | 179.6 | 180 | 0.5 | 109.8 | M72 G74 | M72-R76 HydrophobicContact CB-CB 4.35Å; M72-R76 PolarHBondContact N-O 3.45Å; M72-R76 PolarHBondContact O-N 2.97Å; G74-R76 VanDerWaalsContact C-N 3.34Å; G74-R76 PolarHBondContact O-N 3.25Å |
| 77 | F | 92.1 | Very high | 91.8 | Very high | 110 Ų | 110 | 69.7 Ų | 69.7 | 48% | 0.482 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 133.9 | 177.3 | -59.6 | -79.1 | 0 | 0 | 0 | 110.6 | V69 Q70 A71 G75 | V69-F77 HydrophobicContact CB-CB 4.44Å; V69-F77 HydrophobicContact CG2-CB 4.37Å; V69-F77 HydrophobicContact CG2-CD1 4.19Å; Q70-F77 WeakPolarHBondContact O-CA 3.5Å; A71-F77 HydrophobicContact CB-CD1 3.97Å; A71-F77 HydrophobicContact CB-CE1 3.68Å; G75-F77 WeakPolarHBondContact O-CE2 3.36Å |
| 78 | Q | 93.1 | Very high | 91.9 | Very high | 124 Ų | 124 | 70 Ų | 70 | 58% | 0.579 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 145.9 | 178.3 | -173.8 | 170.8 | -10.2 | 0 | 0 | 109.8 | V69 Q70 M72 P80 | V69-Q78 CarbonylContact C-O 3.56Å; V69-Q78 WeakPolarHBondContact CA-O 3.35Å; Q70-Q78 PolarHBondContact N-O 2.75Å; Q70-Q78 PolarHBondContact O-N 2.85Å; M72-Q78 HydrophobicContact CG-CB 4.48Å; Q78-P80 WeakPolarHBondContact O-CD 3.18Å |
| 79 | K | 93.6 | Very high | 91.7 | Very high | 128 Ų | 128 | 72.1 Ų | 72.1 | 56% | 0.557 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 122.2 | 167.7 | 177.2 | 179 | 171.4 | 176.4 | 0 | 108.4 | ||
| 80 | P | 94.5 | Very high | 91.6 | Very high | 11 Ų | 11 | 73.9 Ų | 73.9 | 7% | 0.071 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 155.6 | 178.1 | 28.5 | -34.2 | 0 | 0 | 0 | 111.1 | M68 Q70 Q78 M84 T163 | M68-P80 HydrophobicContact CG-CG 3.93Å; M68-P80 WeakPolarHBondContact O-CD 3.28Å; M68-P80 HydrophobicContact SD-CG 3.83Å; Q70-P80 HydrophobicContact CB-CB 4.43Å; Q78-P80 WeakPolarHBondContact O-CD 3.18Å; P80-M84 HydrophobicContact CB-CE 4.48Å; P80-M84 HydrophobicContact CB-SD 4.21Å; P80-T163 HydrophobicContact CB-CG2 4.31Å; P80-T163 HydrophobicContact CG-CG2 4.36Å |
| 81 | A | 94.4 | Very high | 91.6 | Very high | 56 Ų | 56 | 76.9 Ų | 76.9 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 157.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T83 T163 | A81-T83 VanDerWaalsContact CB-O 3.28Å; A81-T83 WeakPolarHBondContact CB-O 3.38Å; A81-T83 PolarHBondContact O-N 3.4Å; A81-T83 VanDerWaalsContact O-N 3.17Å; A81-T163 WeakPolarHBondContact O-CB 3.4Å; A81-T163 PolarHBondContact O-OG1 3.03Å |
| 82 | A | 94.4 | Very high | 91.6 | Very high | 76 Ų | 76 | 75.9 Ų | 75.9 | 63% | 0.628 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -62.8 | -20.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y164 | A82-Y164 PolarHBondContact O-N 2.61Š|
| 83 | T | 95.9 | Very high | 92 | Very high | 48 Ų | 48 | 74.1 Ų | 74.1 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 133.6 | 169.8 | -68.5 | 0 | 0 | 0 | 0 | 107.6 | A81 Y164 F166 L201 K228 | A81-T83 VanDerWaalsContact CB-O 3.28Å; A81-T83 WeakPolarHBondContact CB-O 3.38Å; A81-T83 PolarHBondContact O-N 3.4Å; A81-T83 VanDerWaalsContact O-N 3.17Å; T83-Y164 CarbonylContact C-O 3.58Å; T83-Y164 WeakPolarHBondContact CA-O 3.38Å; T83-F166 HydrophobicContact CG2-CD2 3.75Å; T83-F166 HydrophobicContact CG2-CE2 3.52Å; T83-L201 HydrophobicContact CG2-CD1 4.25Å; T83-L201 HydrophobicContact CG2-CD2 3.82Å; T83-K228 WeakPolarHBondContact OG1-CE 3.15Å; T83-K228 PolarHBondContact OG1-NZ 3.47Å |
| 84 | M | 94.7 | Very high | 92.8 | Very high | 25 Ų | 25 | 66.3 Ų | 66.3 | 12% | 0.123 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 160.7 | 173.7 | 64.5 | -179.2 | -176.1 | 0 | 0 | 112.2 | Q70 P80 L86 T163 Y164 I165 F166 | Q70-M84 PolarHBondContact OE1-SD 3.27Å; Q70-M84 VanDerWaalsContact OE1-SD 3.34Å; P80-M84 HydrophobicContact CB-CE 4.48Å; P80-M84 HydrophobicContact CB-SD 4.21Å; M84-L86 HydrophobicContact CE-CD1 4.24Å; M84-T163 HydrophobicContact CE-CG2 4.18Å; M84-Y164 PolarHBondContact N-O 3.33Å; M84-I165 HydrophobicContact CE-CD1 3.51Å; M84-I165 HydrophobicContact CE-CG1 3.64Å; M84-I165 HydrophobicContact CE-CG2 4.44Å; M84-I165 HydrophobicContact CG-CG1 4.32Å; M84-F166 PolarHBondContact O-N 3Å |
| 85 | S | 95.4 | Very high | 93.8 | Very high | 59 Ų | 59 | 65.1 Ų | 65.1 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.4 | 179.8 | -156.6 | 0 | 0 | 0 | 0 | 109.7 | F166 T168 | S85-F166 CarbonylContact C-O 3.55Å; S85-F166 WeakPolarHBondContact CA-O 3.43Å; S85-T168 WeakPolarHBondContact OG-CG2 3.39Å |
| 86 | L | 95.4 | Very high | 94.6 | Very high | 32 Ų | 32 | 62.4 Ų | 62.4 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 158.5 | 178.5 | -65.3 | -179.7 | 0 | 0 | 0 | 109.3 | M84 V92 I165 F166 F167 T168 | M84-L86 HydrophobicContact CE-CD1 4.24Å; L86-V92 HydrophobicContact CD1-CG2 3.46Å; L86-V92 VanDerWaalsContact CD1-CG2 3.46Å; L86-I165 HydrophobicContact CB-CG2 4.4Å; L86-I165 HydrophobicContact CD1-CG2 3.84Å; L86-I165 HydrophobicContact CG-CG2 4.14Å; L86-F166 PolarHBondContact N-O 3.33Å; L86-F167 HydrophobicContact CB-CD1 3.94Å; L86-F167 HydrophobicContact CB-CE1 4.01Å; L86-F167 HydrophobicContact CD1-CE1 4.04Å; L86-F167 CarbonylContact O-C 3.57Å; L86-F167 WeakPolarHBondContact O-CA 3.41Å; L86-T168 PolarHBondContact O-N 3.22Å; L86-T168 PolarHBondContact O-OG1 2.86Å; L86-T168 VanDerWaalsContact O-OG1 3.1Å |
| 87 | M | 95.4 | Very high | 94.8 | Very high | 102 Ų | 102 | 60.8 Ų | 60.8 | 50% | 0.502 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 146.5 | 174.8 | -65.9 | -61.1 | -55.3 | 0 | 0 | 110.6 | Q90 S133 T168 | M87-Q90 HydrophobicContact CB-CG 4.09Å; M87-Q90 WeakPolarHBondContact O-CB 3.28Å; M87-Q90 WeakPolarHBondContact O-CG 3.45Å; M87-Q90 PolarHBondContact O-N 3.01Å; M87-S133 PolarHBondContact O-OG 2.95Å; M87-T168 PolarHBondContact SD-OG1 3.06Å |
| 88 | A | 94.7 | Very high | 94.8 | Very high | 29 Ų | 29 | 56 Ų | 56 | 24% | 0.24 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | 150.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q90 S133 T168 E169 | A88-Q90 VanDerWaalsContact C-N 3.3Å; A88-S133 CarbonylContact C-O 3.54Å; A88-S133 WeakPolarHBondContact CA-O 3.41Å; A88-T168 PolarHBondContact N-O 2.95Å; A88-E169 HydrophobicContact CB-CB 4Å; A88-E169 HydrophobicContact CB-CG 4.19Å |
| 89 | G | 93.8 | Very high | 94.5 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 46% | 0.464 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -11.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S133 | G89-S133 PolarHBondContact N-O 2.82Š|
| 90 | Q | 93.5 | Very high | 94.3 | Very high | 86 Ų | 86 | 54.1 Ų | 54.1 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | trans | -74.6 | 165.2 | 179.7 | -67.7 | -171.4 | -48.7 | 0 | 0 | 112.4 | M87 A88 N132 S133 | M87-Q90 HydrophobicContact CB-CG 4.09Å; M87-Q90 WeakPolarHBondContact O-CB 3.28Å; M87-Q90 WeakPolarHBondContact O-CG 3.45Å; M87-Q90 PolarHBondContact O-N 3.01Å; A88-Q90 VanDerWaalsContact C-N 3.3Å; Q90-N132 PolarHBondContact O-N 2.92Å; Q90-S133 PolarHBondContact N-OG 2.99Å; Q90-S133 PolarHBondContact O-N 3.45Å; Q90-S133 PolarHBondContact O-OG 2.83Å | ||
| 91 | T | 94.7 | Very high | 94.2 | Very high | 86 Ų | 86 | 54.3 Ų | 54.3 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | trans | -106.6 | 134.3 | 169 | -65.6 | 0 | 0 | 0 | 0 | 108.9 | T129 L130 V131 | T91-T129 HydrophobicContact CG2-CG2 4.08Å; T91-L130 CarbonylContact C-O 3.6Å; T91-L130 WeakPolarHBondContact CA-O 3.41Å; T91-V131 HydrophobicContact CG2-CB 4.5Å; T91-V131 HydrophobicContact CG2-CG1 3.81Å | ||
| 92 | V | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.6 | 175 | -177.5 | 0 | 0 | 0 | 0 | 109 | L86 L94 T129 L130 I165 F167 | L86-V92 HydrophobicContact CD1-CG2 3.46Å; L86-V92 VanDerWaalsContact CD1-CG2 3.46Å; V92-L94 HydrophobicContact CG1-CD2 4.33Å; V92-L94 HydrophobicContact CG1-CG 4.06Å; V92-T129 CarbonylContact O-C 3.58Å; V92-T129 WeakPolarHBondContact O-CA 3.18Å; V92-L130 PolarHBondContact N-O 3.22Å; V92-L130 PolarHBondContact O-N 2.85Å; V92-I165 HydrophobicContact CG1-CD1 3.96Å; V92-F167 HydrophobicContact CG2-CE1 3.61Å; V92-F167 HydrophobicContact CG2-CZ 3.63Å |
| 93 | E | 96.2 | Very high | 94.3 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.4 | 169 | -177.3 | -177.6 | 131.6 | 0 | 0 | 110.1 | Q70 A71 R95 Q127 L128 | Q70-E93 WeakPolarHBondContact CA-O 3.1Å; A71-E93 HydrophobicContact CB-CB 4.06Å; A71-E93 HydrophobicContact CB-CG 4.04Å; A71-E93 PolarHBondContact N-O 2.71Å; E93-R95 IonicContact OE1-CZ 3.16Å; E93-R95 IonicContact OE1-NE 2.67Å; E93-R95 PolarHBondContact OE1-NE 2.8Å; E93-R95 IonicContact OE1-NH2 3.09Å; E93-R95 PolarHBondContact OE1-NH2 3.41Å; E93-Q127 HydrophobicContact CG-CG 4.08Å; E93-Q127 PolarHBondContact OE2-NE2 2.02Å; E93-L128 WeakPolarHBondContact CA-O 3.44Å |
| 94 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 139.8 | 173.7 | -60.2 | 176.6 | 0 | 0 | 0 | 109 | M68 Q70 V92 W103 Q127 L128 F141 T163 I165 | M68-L94 HydrophobicContact CE-CD1 4.17Å; M68-L94 HydrophobicContact CG-CD2 4.49Å; M68-L94 HydrophobicContact SD-CD1 4.04Å; M68-L94 HydrophobicContact SD-CD2 4.21Å; Q70-L94 HydrophobicContact CB-CD2 4.01Å; Q70-L94 HydrophobicContact CG-CD2 4.23Å; V92-L94 HydrophobicContact CG1-CD2 4.33Å; V92-L94 HydrophobicContact CG1-CG 4.06Å; L94-W103 HydrophobicContact CB-CH2 3.75Å; L94-W103 HydrophobicContact CB-CZ3 3.91Å; L94-W103 HydrophobicContact CD1-CZ3 4.35Å; L94-Q127 CarbonylContact O-C 3.58Å; L94-Q127 WeakPolarHBondContact O-CA 3.4Å; L94-L128 PolarHBondContact N-O 2.9Å; L94-L128 PolarHBondContact O-N 2.79Å; L94-F141 HydrophobicContact CD1-CB 3.68Å; L94-F141 HydrophobicContact CD1-CD1 4.45Å; L94-F141 HydrophobicContact CD1-CG 4.28Å; L94-T163 HydrophobicContact CD1-CG2 4.16Å; L94-T163 HydrophobicContact CD2-CG2 4.48Å; L94-I165 HydrophobicContact CD1-CD1 4.49Å |
| 95 | R | 96.4 | Very high | 94.3 | Very high | 55 Ų | 55 | 54.4 Ų | 54.4 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.6 | 173.1 | -61.1 | -178.1 | -174.5 | -164.6 | 1.9 | 109.8 | M68 V69 E93 Y125 G126 Q127 | M68-R95 CarbonylContact C-O 3.56Å; M68-R95 WeakPolarHBondContact CA-O 3.4Å; V69-R95 HydrophobicContact CG2-CB 4.04Å; V69-R95 PolarHBondContact N-O 2.8Å; V69-R95 PolarHBondContact O-N 3.18Å; E93-R95 IonicContact OE1-CZ 3.16Å; E93-R95 IonicContact OE1-NE 2.67Å; E93-R95 PolarHBondContact OE1-NE 2.8Å; E93-R95 IonicContact OE1-NH2 3.09Å; E93-R95 PolarHBondContact OE1-NH2 3.41Å; R95-Y125 HydrophobicContact CB-CD2 4.03Å; R95-Y125 HydrophobicContact CG-CD2 3.93Å; R95-Y125 HydrophobicContact CG-CE2 4.1Å; R95-Y125 PolarHBondContact NH1-OH 2.84Å; R95-G126 CarbonylContact C-O 3.52Å; R95-G126 VanDerWaalsContact CA-O 3.29Å; R95-G126 WeakPolarHBondContact CA-O 3.24Å; R95-Q127 HydrophobicContact CG-CB 4.26Å; R95-Q127 HydrophobicContact CG-CG 4.2Å |
| 96 | C | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.1 | -179.4 | -73.9 | 0 | 0 | 0 | 0 | 110.8 | I67 G98 V101 W103 Y125 G126 C143 | I67-C96 HydrophobicContact CD1-CB 3.96Å; I67-C96 HydrophobicContact CG1-CB 4.21Å; I67-C96 WeakPolarHBondContact O-CA 3.28Å; C96-G98 PolarHBondContact O-N 3.06Å; C96-V101 HydrophobicContact CB-CG1 3.79Å; C96-W103 HydrophobicContact CB-CH2 4.09Å; C96-W103 HydrophobicContact CB-CZ2 3.91Å; C96-W103 WeakPolarHBondContact SG-CH2 3.31Å; C96-Y125 CarbonylContact O-C 3.44Å; C96-Y125 WeakPolarHBondContact O-CA 3.42Å; C96-Y125 WeakPolarHBondContact O-CB 3.08Å; C96-G126 PolarHBondContact N-O 3.22Å; C96-G126 PolarHBondContact O-N 2.93Å; C96-C143 HydrophobicContact CB-CB 3.71Å; C96-C143 WeakPolarHBondContact CB-SG 3.34Å; C96-C143 WeakPolarHBondContact SG-CB 3.46Å; C96-C143 CovalentContact SG-SG 2.02Å; C96-C143 PolarHBondContact SG-SG 2.81Å |
| 97 | K | 94.4 | Very high | 93.9 | Very high | 161 Ų | 161 | 56.2 Ų | 56.2 | 70% | 0.7 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 112.7 | -170.5 | -174.9 | -178.5 | 176.1 | -175.7 | 0 | 112.2 | I67 | I67-K97 HydrophobicContact CB-CB 4.3Å; I67-K97 PolarHBondContact O-N 3.4Å |
| 98 | G | 91.3 | Very high | 93.4 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 11% | 0.113 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 163.5 | 149.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C96 Q121 R124 Y125 | C96-G98 PolarHBondContact O-N 3.06Å; G98-Q121 PolarHBondContact O-NE2 3.48Å; G98-R124 PolarHBondContact N-O 3.15Å; G98-R124 CarbonylContact O-C 3.53Å; G98-Y125 CarbonylContact O-C 3.55Å; G98-Y125 WeakPolarHBondContact O-CA 3.44Å; G98-Y125 PolarHBondContact O-N 2.93Å; G98-Y125 VanDerWaalsContact O-N 3.15Å |
| 99 | S | 87.3 | Confident | 93.1 | Very high | 83 Ų | 83 | 53.5 Ų | 53.5 | 58% | 0.58 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -80.3 | -16 | 176 | 50.9 | 0 | 0 | 0 | 0 | 114 | Q121 E123 | S99-Q121 PolarHBondContact O-NE2 2.91Å; S99-E123 WeakPolarHBondContact CA-O 3.42Å; S99-E123 VanDerWaalsContact CB-O 3.24Å; S99-E123 WeakPolarHBondContact CB-O 3.39Å |
| 100 | K | 89.2 | Confident | 92.6 | Very high | 128 Ų | 128 | 55.4 Ų | 55.4 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -138 | 114.7 | 167.2 | -64.9 | -170.8 | 178.5 | -171.6 | 0 | 108.1 | Q146 | K100-Q146 HydrophobicContact CB-CB 4.47Š|
| 101 | V | 93.5 | Very high | 91.8 | Very high | 15 Ų | 15 | 56 Ų | 56 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 126.5 | -178.3 | 177.9 | 0 | 0 | 0 | 0 | 109.4 | C96 C143 W144 | C96-V101 HydrophobicContact CB-CG1 3.79Å; V101-C143 HydrophobicContact CG1-CB 3.91Å; V101-W144 WeakPolarHBondContact CA-O 3.37Å |
| 102 | E | 94.2 | Very high | 90.7 | Very high | 92 Ų | 92 | 60 Ų | 60 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 152.7 | 172.3 | -160.5 | 64 | -121.6 | 0 | 0 | 109.5 | C143 W144 | E102-C143 CarbonylContact O-C 3.58Å; E102-C143 VanDerWaalsContact O-CA 3.25Å; E102-C143 WeakPolarHBondContact O-CA 3.35Å; E102-W144 HydrophobicContact CB-CD2 4.15Å; E102-W144 HydrophobicContact CB-CG 4.4Å; E102-W144 HydrophobicContact CB-CZ2 3.79Å; E102-W144 HydrophobicContact CG-CH2 4.15Å; E102-W144 HydrophobicContact CG-CZ2 3.42Å; E102-W144 VanDerWaalsContact CG-CZ2 3.42Å; E102-W144 PolarHBondContact N-O 3.17Å; E102-W144 PolarHBondContact O-N 2.85Å |
| 103 | W | 95.3 | Very high | 89.6 | Confident | 22 Ų | 22 | 69.1 Ų | 69.1 | 8% | 0.083 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 158.5 | -176.8 | -71.5 | 87.7 | 0 | 0 | 0 | 112.4 | M68 L94 C96 Y105 V119 L128 S142 C143 | M68-W103 HydrophobicContact CE-CZ3 4.02Å; L94-W103 HydrophobicContact CB-CH2 3.75Å; L94-W103 HydrophobicContact CB-CZ3 3.91Å; L94-W103 HydrophobicContact CD1-CZ3 4.35Å; C96-W103 HydrophobicContact CB-CH2 4.09Å; C96-W103 HydrophobicContact CB-CZ2 3.91Å; C96-W103 WeakPolarHBondContact SG-CH2 3.31Å; W103-Y105 HydrophobicContact CB-CD1 4.18Å; W103-Y105 HydrophobicContact CB-CE1 4Å; W103-V119 HydrophobicContact CG-CG1 4.21Å; W103-L128 HydrophobicContact CD2-CB 3.98Å; W103-L128 HydrophobicContact CD2-CD1 4.08Å; W103-L128 HydrophobicContact CE3-CB 3.78Å; W103-L128 HydrophobicContact CE3-CD1 3.61Å; W103-L128 HydrophobicContact CE3-CG 4.35Å; W103-L128 HydrophobicContact CH2-CB 3.72Å; W103-L128 HydrophobicContact CZ2-CB 3.92Å; W103-L128 HydrophobicContact CZ3-CB 3.64Å; W103-L128 HydrophobicContact CZ3-CD1 4.1Å; W103-L128 HydrophobicContact CZ3-CG 4.46Å; W103-S142 CarbonylContact C-O 3.57Å; W103-S142 WeakPolarHBondContact CA-O 3.08Å; W103-C143 HydrophobicContact CD2-CB 3.9Å; W103-C143 HydrophobicContact CE3-CB 3.72Å; W103-C143 HydrophobicContact CH2-CB 4.21Å; W103-C143 HydrophobicContact CZ2-CB 4.36Å; W103-C143 HydrophobicContact CZ3-CB 3.89Å |
| 104 | S | 95.8 | Very high | 88.8 | Confident | 52 Ų | 52 | 69 Ų | 69 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 142.5 | 167.2 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | S142 | S104-S142 PolarHBondContact N-O 3.4Å; S104-S142 PolarHBondContact O-N 3.47Å; S104-S142 VanDerWaalsContact O-O 3.11Å |
| 105 | Y | 95.1 | Very high | 88.3 | Confident | 42 Ų | 42 | 74.8 Ų | 74.8 | 17% | 0.165 | 39% | 0.385 | C | S | . | . | trans | -158.4 | 176 | -173.2 | 40.5 | -96.7 | 0 | 0 | 0 | 107.6 | W103 T107 L109 D110 L117 V119 L128 E140 | W103-Y105 HydrophobicContact CB-CD1 4.18Å; W103-Y105 HydrophobicContact CB-CE1 4Å; Y105-T107 PolarHBondContact O-N 3.34Å; Y105-T107 VanDerWaalsContact O-N 3.13Å; Y105-L109 HydrophobicContact CD2-CB 4.26Å; Y105-L109 HydrophobicContact CD2-CD1 4.12Å; Y105-L109 HydrophobicContact CE2-CB 4.36Å; Y105-D110 WeakPolarHBondContact CE2-OD1 3.39Å; Y105-D110 PolarHBondContact OH-OD1 3.49Å; Y105-L117 HydrophobicContact CD2-CD2 3.82Å; Y105-L117 HydrophobicContact CE1-CD2 4.3Å; Y105-L117 HydrophobicContact CE2-CD2 3.37Å; Y105-L117 HydrophobicContact CG-CD2 4.44Å; Y105-V119 HydrophobicContact CE1-CG2 4.06Å; Y105-L128 HydrophobicContact CD1-CD1 3.5Å; Y105-L128 HydrophobicContact CE1-CD1 4.08Å; Y105-L128 HydrophobicContact CG-CD1 4.23Å; Y105-E140 WeakPolarHBondContact CA-O 3.31Å | ||
| 106 | P | 93.4 | Very high | 88.2 | Confident | 18 Ų | 18 | 74.1 Ų | 74.1 | 12% | 0.117 | 38% | 0.382 | C | S | . | . | trans | -56 | 118.2 | 178.3 | -29.2 | 38.4 | 0 | 0 | 0 | 112.8 | Y108 L109 F141 | P106-Y108 HydrophobicContact CB-CD1 3.81Å; P106-Y108 HydrophobicContact CB-CE1 3.86Å; P106-Y108 PolarHBondContact O-N 2.67Å; P106-L109 WeakPolarHBondContact O-CB 3.39Å; P106-L109 PolarHBondContact O-N 3.18Å; P106-L109 VanDerWaalsContact O-N 3.14Å; P106-F141 HydrophobicContact CG-CE2 4.31Å; P106-F141 HydrophobicContact CG-CZ 4.31Å | ||
| 107 | T | 88.8 | Confident | 88.1 | Confident | 110 Ų | 110 | 75.5 Ų | 75.5 | 68% | 0.675 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -17.9 | -168.4 | 50 | 0 | 0 | 0 | 0 | 115.3 | Y105 L109 D110 T111 | Y105-T107 PolarHBondContact O-N 3.34Å; Y105-T107 VanDerWaalsContact O-N 3.13Å; T107-L109 PolarHBondContact O-N 2.93Å; T107-D110 WeakPolarHBondContact O-CB 3.49Å; T107-D110 PolarHBondContact O-N 3.05Å; T107-T111 PolarHBondContact O-OG1 3.17Å |
| 108 | Y | 85.7 | Confident | 88.1 | Confident | 72 Ų | 72 | 70 Ų | 70 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.1 | -21.2 | 177.2 | 87.4 | -85.7 | 0 | 0 | 0 | 112.8 | P106 D110 T111 A136 D137 | P106-Y108 HydrophobicContact CB-CD1 3.81Å; P106-Y108 HydrophobicContact CB-CE1 3.86Å; P106-Y108 PolarHBondContact O-N 2.67Å; Y108-D110 VanDerWaalsContact C-N 3.33Å; Y108-T111 WeakPolarHBondContact O-CB 3.47Å; Y108-T111 PolarHBondContact O-N 3.09Å; Y108-A136 HydrophobicContact CE1-CB 4.41Å; Y108-A136 VanDerWaalsContact CE1-O 3.24Å; Y108-A136 WeakPolarHBondContact CE1-O 3.33Å; Y108-A136 HydrophobicContact CE2-CB 4.36Å; Y108-A136 WeakPolarHBondContact OH-CB 3.17Å; Y108-D137 WeakPolarHBondContact OH-CA 3.34Å; Y108-D137 PolarHBondContact OH-N 2.84Å; Y108-D137 VanDerWaalsContact OH-N 3.08Å; Y108-D137 PolarHBondContact OH-OD1 3.15Å; Y108-D137 VanDerWaalsContact OH-OD1 3.05Å; Y108-D137 PolarHBondContact OH-OD2 2.89Å |
| 109 | L | 87.5 | Confident | 88.3 | Confident | 3 Ų | 3 | 72.6 Ų | 72.6 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.4 | -34.9 | 174.4 | -70.6 | 167.4 | 0 | 0 | 0 | 112.2 | Y105 P106 T107 D114 R116 L117 L130 | Y105-L109 HydrophobicContact CD2-CB 4.26Å; Y105-L109 HydrophobicContact CD2-CD1 4.12Å; Y105-L109 HydrophobicContact CE2-CB 4.36Å; P106-L109 WeakPolarHBondContact O-CB 3.39Å; P106-L109 PolarHBondContact O-N 3.18Å; P106-L109 VanDerWaalsContact O-N 3.14Å; T107-L109 PolarHBondContact O-N 2.93Å; L109-D114 HydrophobicContact CD2-CB 4.01Å; L109-D114 PolarHBondContact O-N 2.94Å; L109-R116 VanDerWaalsContact CD2-NH2 3.33Å; L109-L117 HydrophobicContact CB-CD2 3.95Å; L109-L117 HydrophobicContact CD1-CD2 4.23Å; L109-L130 HydrophobicContact CD2-CD1 4.37Å |
| 110 | D | 84.6 | Confident | 88.6 | Confident | 85 Ų | 85 | 74.4 Ų | 74.4 | 46% | 0.455 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.4 | -39.2 | 176 | -64 | -62.1 | 0 | 0 | 0 | 111.6 | Y105 T107 Y108 F112 K113 | Y105-D110 WeakPolarHBondContact CE2-OD1 3.39Å; Y105-D110 PolarHBondContact OH-OD1 3.49Å; T107-D110 WeakPolarHBondContact O-CB 3.49Å; T107-D110 PolarHBondContact O-N 3.05Å; Y108-D110 VanDerWaalsContact C-N 3.33Å; D110-F112 PolarHBondContact O-N 3.05Å; D110-F112 VanDerWaalsContact O-N 3.11Å; D110-K113 PolarHBondContact O-N 3.34Å; D110-K113 VanDerWaalsContact O-N 3.13Å |
| 111 | T | 76.9 | Confident | 88.9 | Confident | 98 Ų | 98 | 72.5 Ų | 72.5 | 60% | 0.601 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -54.4 | -36.4 | -172.1 | -48.5 | 0 | 0 | 0 | 0 | 113.2 | T107 Y108 | T107-T111 PolarHBondContact O-OG1 3.17Å; Y108-T111 WeakPolarHBondContact O-CB 3.47Å; Y108-T111 PolarHBondContact O-N 3.09Å |
| 112 | F | 70.3 | Confident | 88.9 | Confident | 169 Ų | 169 | 74.6 Ų | 74.6 | 74% | 0.741 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 3 | -176.9 | -59.8 | -73.9 | 0 | 0 | 0 | 113.9 | D110 D114 | D110-F112 PolarHBondContact O-N 3.05Å; D110-F112 VanDerWaalsContact O-N 3.11Å; F112-D114 VanDerWaalsContact C-N 3.34Å |
| 113 | K | 72.5 | Confident | 88.7 | Confident | 193 Ų | 193 | 78 Ų | 78 | 84% | 0.839 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 54.5 | -169.3 | -61.6 | -179.3 | 179.1 | 177.1 | 0 | 111.5 | D110 S115 | D110-K113 PolarHBondContact O-N 3.34Å; D110-K113 VanDerWaalsContact O-N 3.13Å; K113-S115 PolarHBondContact O-N 3.36Å |
| 114 | D | 79.9 | Confident | 88.6 | Confident | 40 Ų | 40 | 86.2 Ų | 86.2 | 21% | 0.214 | 43% | 0.433 | C | S | . | . | trans | -56 | 119.4 | -170.8 | -169.5 | -22.4 | 0 | 0 | 0 | 111.7 | L109 F112 R116 L117 | L109-D114 HydrophobicContact CD2-CB 4.01Å; L109-D114 PolarHBondContact O-N 2.94Å; F112-D114 VanDerWaalsContact C-N 3.34Å; D114-R116 PolarHBondContact O-N 3.38Å; D114-R116 VanDerWaalsContact O-N 3.11Å; D114-R116 WeakPolarHBondContact OD1-CB 3.36Å; D114-R116 WeakPolarHBondContact OD1-CG 3.41Å; D114-R116 PolarHBondContact OD1-N 2.91Å; D114-R116 IonicContact OD1-NE 2.73Å; D114-R116 PolarHBondContact OD1-NE 3.18Å; D114-R116 IonicContact OD2-CZ 3.4Å; D114-R116 IonicContact OD2-NE 3.75Å; D114-R116 PolarHBondContact OD2-NE 3.2Å; D114-R116 IonicContact OD2-NH2 3.66Å; D114-R116 PolarHBondContact OD2-NH2 2.82Å; D114-L117 PolarHBondContact O-N 2.89Å | ||
| 115 | S | 86.9 | Confident | 88.5 | Confident | 122 Ų | 122 | 86.9 Ų | 86.9 | 85% | 0.853 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -11.8 | -178.3 | 60.3 | 0 | 0 | 0 | 0 | 113.7 | K113 L117 | K113-S115 PolarHBondContact O-N 3.36Å; S115-L117 VanDerWaalsContact C-N 3.33Å |
| 116 | R | 93.2 | Very high | 88.5 | Confident | 40 Ų | 40 | 84.9 Ų | 84.9 | 15% | 0.151 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -27.3 | 169.8 | -63.7 | -177 | -51.6 | 125.3 | 12.1 | 113.2 | L109 D114 L130 V131 N132 D137 | L109-R116 VanDerWaalsContact CD2-NH2 3.33Å; D114-R116 PolarHBondContact O-N 3.38Å; D114-R116 VanDerWaalsContact O-N 3.11Å; D114-R116 WeakPolarHBondContact OD1-CB 3.36Å; D114-R116 WeakPolarHBondContact OD1-CG 3.41Å; D114-R116 PolarHBondContact OD1-N 2.91Å; D114-R116 IonicContact OD1-NE 2.73Å; D114-R116 PolarHBondContact OD1-NE 3.18Å; D114-R116 IonicContact OD2-CZ 3.4Å; D114-R116 IonicContact OD2-NE 3.75Å; D114-R116 PolarHBondContact OD2-NE 3.2Å; D114-R116 IonicContact OD2-NH2 3.66Å; D114-R116 PolarHBondContact OD2-NH2 2.82Å; R116-L130 HydrophobicContact CB-CD1 4.07Å; R116-L130 WeakPolarHBondContact O-CA 3.16Å; R116-V131 HydrophobicContact CB-CG2 4.15Å; R116-V131 WeakPolarHBondContact CB-O 3.32Å; R116-V131 HydrophobicContact CG-CG2 4.44Å; R116-V131 PolarHBondContact O-N 2.81Å; R116-N132 PolarHBondContact NH1-O 2.84Å; R116-D137 IonicContact CZ-OD1 3.3Å; R116-D137 IonicContact CZ-OD2 3.68Å; R116-D137 IonicContact NH1-OD1 2.82Å; R116-D137 PolarHBondContact NH1-OD1 2.87Å; R116-D137 IonicContact NH1-OD2 2.73Å; R116-D137 PolarHBondContact NH1-OD2 2.85Å; R116-D137 IonicContact NH2-OD1 3.78Å; R116-D137 PolarHBondContact NH2-OD1 3.01Å; R116-D137 IonicContact NH2-OD2 3.21Å; R116-D137 PolarHBondContact NH2-OD2 2.9Å |
| 117 | L | 94.5 | Very high | 88.7 | Confident | 29 Ų | 29 | 85.2 Ų | 85.2 | 15% | 0.152 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.2 | -177.5 | -176.2 | 66.8 | 0 | 0 | 0 | 111.1 | Y105 L109 D114 S115 L128 L130 | Y105-L117 HydrophobicContact CD2-CD2 3.82Å; Y105-L117 HydrophobicContact CE1-CD2 4.3Å; Y105-L117 HydrophobicContact CE2-CD2 3.37Å; Y105-L117 HydrophobicContact CG-CD2 4.44Å; L109-L117 HydrophobicContact CB-CD2 3.95Å; L109-L117 HydrophobicContact CD1-CD2 4.23Å; D114-L117 PolarHBondContact O-N 2.89Å; S115-L117 VanDerWaalsContact C-N 3.33Å; L117-L128 HydrophobicContact CD1-CD1 4.25Å; L117-L128 HydrophobicContact CD1-CD2 3.96Å; L117-L128 HydrophobicContact CD1-CG 3.92Å; L117-L130 HydrophobicContact CB-CD1 4.41Å; L117-L130 HydrophobicContact CD1-CB 4.37Å; L117-L130 HydrophobicContact CD1-CD1 4.43Å |
| 118 | S | 94.5 | Very high | 89 | Confident | 47 Ų | 47 | 80 Ų | 80 | 33% | 0.329 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 114 | 175.7 | -156.1 | 0 | 0 | 0 | 0 | 110.9 | K120 T129 | S118-K120 WeakPolarHBondContact OG-CE 3.29Å; S118-T129 PolarHBondContact N-O 3.25Å; S118-T129 PolarHBondContact O-N 2.82Å |
| 119 | V | 94.9 | Very high | 89.5 | Confident | 64 Ų | 64 | 77.7 Ų | 77.7 | 39% | 0.388 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 129.4 | 172.8 | -177.5 | 0 | 0 | 0 | 0 | 109 | W103 Y105 Q127 L128 | W103-V119 HydrophobicContact CG-CG1 4.21Å; Y105-V119 HydrophobicContact CE1-CG2 4.06Å; V119-Q127 CarbonylContact C-O 3.56Å; V119-Q127 WeakPolarHBondContact CA-O 3.4Å; V119-L128 HydrophobicContact CG2-CB 4.47Å; V119-L128 HydrophobicContact CG2-CD1 4.21Å; V119-L128 HydrophobicContact CG2-CG 4.18Å |
| 120 | K | 94.8 | Very high | 89.9 | Confident | 122 Ų | 122 | 77.5 Ų | 77.5 | 53% | 0.53 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 136.3 | -176.9 | -61.8 | -179.4 | -174.9 | 173.1 | 0 | 110.3 | S118 G126 Q127 | S118-K120 WeakPolarHBondContact OG-CE 3.29Å; K120-G126 CarbonylContact O-C 3.6Å; K120-Q127 PolarHBondContact N-O 2.69Å; K120-Q127 PolarHBondContact O-N 2.67Å |
| 121 | Q | 95.1 | Very high | 90.4 | Very high | 87 Ų | 87 | 76.4 Ų | 76.4 | 41% | 0.407 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 115.7 | 173.9 | -179.9 | 65.5 | 74.2 | 0 | 0 | 109.7 | G98 S99 Y125 | G98-Q121 PolarHBondContact O-NE2 3.48Å; S99-Q121 PolarHBondContact O-NE2 2.91Å; Q121-Y125 VanDerWaalsContact NE2-C 3.31Å; Q121-Y125 PolarHBondContact NE2-O 2.96Å |
| 122 | N | 93.1 | Very high | 91.2 | Very high | 59 Ų | 59 | 76.7 Ų | 76.7 | 32% | 0.316 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 162.9 | 173.6 | -59.4 | 1.2 | 0 | 0 | 0 | 108.8 | R124 Y125 | N122-R124 PolarHBondContact O-N 2.89Å; N122-Y125 WeakPolarHBondContact CA-O 3.41Å; N122-Y125 HydrophobicContact CB-CD2 4.4Å; N122-Y125 HydrophobicContact CB-CE1 4.27Å; N122-Y125 HydrophobicContact CB-CE2 4.17Å; N122-Y125 WeakPolarHBondContact CB-O 3.34Å; N122-Y125 PolarHBondContact N-O 2.97Å; N122-Y125 VanDerWaalsContact ND2-CE2 3.32Å; N122-Y125 WeakPolarHBondContact ND2-CE2 3.31Å; N122-Y125 VanDerWaalsContact ND2-CZ 3.28Å; N122-Y125 PolarHBondContact ND2-OH 3.32Å; N122-Y125 PolarHBondContact O-N 3.01Å; N122-Y125 VanDerWaalsContact O-O 3.11Å |
| 123 | E | 90.7 | Very high | 92.4 | Very high | 164 Ų | 164 | 68.7 Ų | 68.7 | 77% | 0.766 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | -33.6 | -173.9 | -63 | -175.5 | 161.6 | 0 | 0 | 115.5 | S99 | S99-E123 WeakPolarHBondContact CA-O 3.42Å; S99-E123 VanDerWaalsContact CB-O 3.24Å; S99-E123 WeakPolarHBondContact CB-O 3.39Å |
| 124 | R | 92.3 | Very high | 93.4 | Very high | 194 Ų | 194 | 61.2 Ų | 61.2 | 73% | 0.732 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | -9.1 | -171 | -57.3 | -175.4 | -173.1 | -164 | -0.4 | 114.1 | G98 N122 | G98-R124 PolarHBondContact N-O 3.15Å; G98-R124 CarbonylContact O-C 3.53Å; N122-R124 PolarHBondContact O-N 2.89Å |
| 125 | Y | 94.4 | Very high | 94.1 | Very high | 67 Ų | 67 | 59.6 Ų | 59.6 | 26% | 0.263 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 144.2 | 179.6 | 58.4 | -86.3 | 0 | 0 | 0 | 111.7 | R95 C96 G98 Q121 N122 Q127 | R95-Y125 HydrophobicContact CB-CD2 4.03Å; R95-Y125 HydrophobicContact CG-CD2 3.93Å; R95-Y125 HydrophobicContact CG-CE2 4.1Å; R95-Y125 PolarHBondContact NH1-OH 2.84Å; C96-Y125 CarbonylContact O-C 3.44Å; C96-Y125 WeakPolarHBondContact O-CA 3.42Å; C96-Y125 WeakPolarHBondContact O-CB 3.08Å; G98-Y125 CarbonylContact O-C 3.55Å; G98-Y125 WeakPolarHBondContact O-CA 3.44Å; G98-Y125 PolarHBondContact O-N 2.93Å; G98-Y125 VanDerWaalsContact O-N 3.15Å; Q121-Y125 VanDerWaalsContact NE2-C 3.31Å; Q121-Y125 PolarHBondContact NE2-O 2.96Å; N122-Y125 WeakPolarHBondContact CA-O 3.41Å; N122-Y125 HydrophobicContact CB-CD2 4.4Å; N122-Y125 HydrophobicContact CB-CE1 4.27Å; N122-Y125 HydrophobicContact CB-CE2 4.17Å; N122-Y125 WeakPolarHBondContact CB-O 3.34Å; N122-Y125 PolarHBondContact N-O 2.97Å; N122-Y125 VanDerWaalsContact ND2-CE2 3.32Å; N122-Y125 WeakPolarHBondContact ND2-CE2 3.31Å; N122-Y125 VanDerWaalsContact ND2-CZ 3.28Å; N122-Y125 PolarHBondContact ND2-OH 3.32Å; N122-Y125 PolarHBondContact O-N 3.01Å; N122-Y125 VanDerWaalsContact O-O 3.11Å; Y125-Q127 HydrophobicContact CD2-CB 4.16Å; Y125-Q127 HydrophobicContact CE2-CB 4.12Å |
| 126 | G | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 147.8 | 155.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R95 C96 K120 | R95-G126 CarbonylContact C-O 3.52Å; R95-G126 VanDerWaalsContact CA-O 3.29Å; R95-G126 WeakPolarHBondContact CA-O 3.24Å; C96-G126 PolarHBondContact N-O 3.22Å; C96-G126 PolarHBondContact O-N 2.93Å; K120-G126 CarbonylContact O-C 3.6Å |
| 127 | Q | 96.1 | Very high | 94.5 | Very high | 25 Ų | 25 | 53 Ų | 53 | 12% | 0.117 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.2 | 174 | 175.5 | 172.1 | -28.8 | 0 | 0 | 109.5 | E93 L94 R95 V119 K120 Y125 T129 | E93-Q127 HydrophobicContact CG-CG 4.08Å; E93-Q127 PolarHBondContact OE2-NE2 2.02Å; L94-Q127 CarbonylContact O-C 3.58Å; L94-Q127 WeakPolarHBondContact O-CA 3.4Å; R95-Q127 HydrophobicContact CG-CB 4.26Å; R95-Q127 HydrophobicContact CG-CG 4.2Å; V119-Q127 CarbonylContact C-O 3.56Å; V119-Q127 WeakPolarHBondContact CA-O 3.4Å; K120-Q127 PolarHBondContact N-O 2.69Å; K120-Q127 PolarHBondContact O-N 2.67Å; Y125-Q127 HydrophobicContact CD2-CB 4.16Å; Y125-Q127 HydrophobicContact CE2-CB 4.12Å; Q127-T129 PolarHBondContact NE2-OG1 2.85Å |
| 128 | L | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126 | 167.6 | -178.8 | 156.2 | 0 | 0 | 0 | 107.5 | E93 L94 W103 Y105 L117 V119 L130 F141 | E93-L128 WeakPolarHBondContact CA-O 3.44Å; L94-L128 PolarHBondContact N-O 2.9Å; L94-L128 PolarHBondContact O-N 2.79Å; W103-L128 HydrophobicContact CD2-CB 3.98Å; W103-L128 HydrophobicContact CD2-CD1 4.08Å; W103-L128 HydrophobicContact CE3-CB 3.78Å; W103-L128 HydrophobicContact CE3-CD1 3.61Å; W103-L128 HydrophobicContact CE3-CG 4.35Å; W103-L128 HydrophobicContact CH2-CB 3.72Å; W103-L128 HydrophobicContact CZ2-CB 3.92Å; W103-L128 HydrophobicContact CZ3-CB 3.64Å; W103-L128 HydrophobicContact CZ3-CD1 4.1Å; W103-L128 HydrophobicContact CZ3-CG 4.46Å; Y105-L128 HydrophobicContact CD1-CD1 3.5Å; Y105-L128 HydrophobicContact CE1-CD1 4.08Å; Y105-L128 HydrophobicContact CG-CD1 4.23Å; L117-L128 HydrophobicContact CD1-CD1 4.25Å; L117-L128 HydrophobicContact CD1-CD2 3.96Å; L117-L128 HydrophobicContact CD1-CG 3.92Å; V119-L128 HydrophobicContact CG2-CB 4.47Å; V119-L128 HydrophobicContact CG2-CD1 4.21Å; V119-L128 HydrophobicContact CG2-CG 4.18Å; L128-L130 HydrophobicContact CD2-CB 4.49Å; L128-F141 HydrophobicContact CD1-CD1 4.29Å; L128-F141 HydrophobicContact CD2-CD1 4.12Å; L128-F141 HydrophobicContact CD2-CE1 4.3Å |
| 129 | T | 95.7 | Very high | 94.7 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.5 | 173.1 | -59.3 | 0 | 0 | 0 | 0 | 108.9 | T91 V92 S118 Q127 V131 | T91-T129 HydrophobicContact CG2-CG2 4.08Å; V92-T129 CarbonylContact O-C 3.58Å; V92-T129 WeakPolarHBondContact O-CA 3.18Å; S118-T129 PolarHBondContact N-O 3.25Å; S118-T129 PolarHBondContact O-N 2.82Å; Q127-T129 PolarHBondContact NE2-OG1 2.85Å; T129-V131 HydrophobicContact CG2-CG1 4.19Å |
| 130 | L | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 110.9 | 173.8 | 175.1 | 66.2 | 0 | 0 | 0 | 108 | T91 V92 L109 R116 L117 L128 D137 F141 F167 | T91-L130 CarbonylContact C-O 3.6Å; T91-L130 WeakPolarHBondContact CA-O 3.41Å; V92-L130 PolarHBondContact N-O 3.22Å; V92-L130 PolarHBondContact O-N 2.85Å; L109-L130 HydrophobicContact CD2-CD1 4.37Å; R116-L130 HydrophobicContact CB-CD1 4.07Å; R116-L130 WeakPolarHBondContact O-CA 3.16Å; L117-L130 HydrophobicContact CB-CD1 4.41Å; L117-L130 HydrophobicContact CD1-CB 4.37Å; L117-L130 HydrophobicContact CD1-CD1 4.43Å; L128-L130 HydrophobicContact CD2-CB 4.49Å; L130-D137 HydrophobicContact CD2-CB 3.92Å; L130-D137 WeakPolarHBondContact CD2-OD1 3.29Å; L130-F141 HydrophobicContact CD2-CE1 4.24Å; L130-F141 HydrophobicContact CD2-CZ 4.02Å; L130-F167 HydrophobicContact CD2-CE2 4.45Å; L130-F167 HydrophobicContact CD2-CZ 4.22Å |
| 131 | V | 95 | Very high | 95 | Very high | 61 Ų | 61 | 45.1 Ų | 45.1 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | trans | -92.4 | 150.9 | 177.3 | -62.1 | 0 | 0 | 0 | 0 | 111.4 | T91 R116 T129 S133 | T91-V131 HydrophobicContact CG2-CB 4.5Å; T91-V131 HydrophobicContact CG2-CG1 3.81Å; R116-V131 HydrophobicContact CB-CG2 4.15Å; R116-V131 WeakPolarHBondContact CB-O 3.32Å; R116-V131 HydrophobicContact CG-CG2 4.44Å; R116-V131 PolarHBondContact O-N 2.81Å; T129-V131 HydrophobicContact CG2-CG1 4.19Å; V131-S133 PolarHBondContact O-N 2.87Å | ||
| 132 | N | 93.7 | Very high | 95 | Very high | 104 Ų | 104 | 41.7 Ų | 41.7 | 56% | 0.556 | 21% | 0.206 | S | C | * | . | S | Bend | trans | 50.8 | 58.8 | 176.8 | -170.3 | 39.7 | 0 | 0 | 0 | 112.7 | Q90 R116 | Q90-N132 PolarHBondContact O-N 2.92Å; R116-N132 PolarHBondContact NH1-O 2.84Å |
| 133 | S | 94.8 | Very high | 95.2 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | trans | -63.5 | 148.3 | 180 | 60.4 | 0 | 0 | 0 | 0 | 112.5 | M87 A88 G89 Q90 V131 F167 | M87-S133 PolarHBondContact O-OG 2.95Å; A88-S133 CarbonylContact C-O 3.54Å; A88-S133 WeakPolarHBondContact CA-O 3.41Å; G89-S133 PolarHBondContact N-O 2.82Å; Q90-S133 PolarHBondContact N-OG 2.99Å; Q90-S133 PolarHBondContact O-N 3.45Å; Q90-S133 PolarHBondContact O-OG 2.83Å; V131-S133 PolarHBondContact O-N 2.87Å; S133-F167 WeakPolarHBondContact OG-CD1 3.39Å; S133-F167 WeakPolarHBondContact OG-CE1 3.36Å | ||
| 134 | S | 94.1 | Very high | 95.4 | Very high | 35 Ų | 35 | 32.9 Ų | 32.9 | 25% | 0.245 | 16% | 0.162 | C | C | . | . | trans | -120 | 167.8 | 179.4 | 70.1 | 0 | 0 | 0 | 0 | 110.4 | A136 D137 F167 | S134-A136 PolarHBondContact O-N 3.19Å; S134-A136 PolarHBondContact OG-N 2.84Å; S134-D137 WeakPolarHBondContact CA-OD2 3.44Å; S134-D137 WeakPolarHBondContact CB-OD2 3.46Å; S134-D137 PolarHBondContact N-OD2 2.87Å; S134-D137 PolarHBondContact O-N 3.09Å; S134-D137 VanDerWaalsContact O-N 3.1Å; S134-D137 PolarHBondContact OG-OD2 2.84Å; S134-F167 WeakPolarHBondContact O-CB 3.44Å | ||
| 135 | S | 94.8 | Very high | 95.5 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 5% | 0.049 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -52 | -34.5 | 169.5 | 41.5 | 0 | 0 | 0 | 0 | 113.4 | D137 T138 E169 | S135-D137 VanDerWaalsContact C-N 3.33Å; S135-D137 PolarHBondContact O-N 2.85Å; S135-T138 VanDerWaalsContact O-CB 3.28Å; S135-T138 WeakPolarHBondContact O-CB 3.39Å; S135-T138 PolarHBondContact O-N 3.13Å; S135-T138 PolarHBondContact O-OG1 2.91Å; S135-E169 VanDerWaalsContact CB-OE2 3.23Å; S135-E169 WeakPolarHBondContact CB-OE2 3Å; S135-E169 PolarHBondContact N-OE2 3.01Å; S135-E169 PolarHBondContact OG-OE2 3.1Å |
| 136 | A | 93.6 | Very high | 95.2 | Very high | 22 Ų | 22 | 23.3 Ų | 23.3 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -65.9 | -27.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y108 S134 T138 P176 | Y108-A136 HydrophobicContact CE1-CB 4.41Å; Y108-A136 VanDerWaalsContact CE1-O 3.24Å; Y108-A136 WeakPolarHBondContact CE1-O 3.33Å; Y108-A136 HydrophobicContact CE2-CB 4.36Å; Y108-A136 WeakPolarHBondContact OH-CB 3.17Å; S134-A136 PolarHBondContact O-N 3.19Å; S134-A136 PolarHBondContact OG-N 2.84Å; A136-T138 PolarHBondContact O-N 2.75Å; A136-P176 HydrophobicContact CB-CG 4.44Å |
| 137 | D | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -70.9 | -2.1 | 179.2 | -61.8 | -89.4 | 0 | 0 | 0 | 112.7 | Y108 R116 L130 S134 S135 G139 F141 F167 | Y108-D137 WeakPolarHBondContact OH-CA 3.34Å; Y108-D137 PolarHBondContact OH-N 2.84Å; Y108-D137 VanDerWaalsContact OH-N 3.08Å; Y108-D137 PolarHBondContact OH-OD1 3.15Å; Y108-D137 VanDerWaalsContact OH-OD1 3.05Å; Y108-D137 PolarHBondContact OH-OD2 2.89Å; R116-D137 IonicContact CZ-OD1 3.3Å; R116-D137 IonicContact CZ-OD2 3.68Å; R116-D137 IonicContact NH1-OD1 2.82Å; R116-D137 PolarHBondContact NH1-OD1 2.87Å; R116-D137 IonicContact NH1-OD2 2.73Å; R116-D137 PolarHBondContact NH1-OD2 2.85Å; R116-D137 IonicContact NH2-OD1 3.78Å; R116-D137 PolarHBondContact NH2-OD1 3.01Å; R116-D137 IonicContact NH2-OD2 3.21Å; R116-D137 PolarHBondContact NH2-OD2 2.9Å; L130-D137 HydrophobicContact CD2-CB 3.92Å; L130-D137 WeakPolarHBondContact CD2-OD1 3.29Å; S134-D137 WeakPolarHBondContact CA-OD2 3.44Å; S134-D137 WeakPolarHBondContact CB-OD2 3.46Å; S134-D137 PolarHBondContact N-OD2 2.87Å; S134-D137 PolarHBondContact O-N 3.09Å; S134-D137 VanDerWaalsContact O-N 3.1Å; S134-D137 PolarHBondContact OG-OD2 2.84Å; S135-D137 VanDerWaalsContact C-N 3.33Å; S135-D137 PolarHBondContact O-N 2.85Å; D137-G139 PolarHBondContact O-N 2.81Å; D137-F141 WeakPolarHBondContact O-CE2 3.03Å; D137-F167 VanDerWaalsContact C-CD2 3.48Å; D137-F167 HydrophobicContact CB-CD2 3.65Å; D137-F167 HydrophobicContact CB-CE2 3.61Å; D137-F167 HydrophobicContact CB-CZ 4.46Å; D137-F167 WeakPolarHBondContact O-CE2 3.43Å |
| 138 | T | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -63 | 123.5 | 179.7 | -66.7 | 0 | 0 | 0 | 0 | 110.9 | S135 A136 Y164 I165 F166 F167 V175 R197 | S135-T138 VanDerWaalsContact O-CB 3.28Å; S135-T138 WeakPolarHBondContact O-CB 3.39Å; S135-T138 PolarHBondContact O-N 3.13Å; S135-T138 PolarHBondContact O-OG1 2.91Å; A136-T138 PolarHBondContact O-N 2.75Å; T138-Y164 HydrophobicContact CG2-CE1 3.87Å; T138-I165 WeakPolarHBondContact CA-O 3.29Å; T138-F166 HydrophobicContact CG2-CD1 4.09Å; T138-F167 PolarHBondContact OG1-N 2.74Å; T138-V175 HydrophobicContact CG2-CG2 3.54Å; T138-R197 PolarHBondContact O-NH1 3.25Å | ||
| 139 | G | 96.6 | Very high | 93.9 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169 | -172.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D137 Y164 I165 | D137-G139 PolarHBondContact O-N 2.81Å; G139-Y164 VanDerWaalsContact C-CD2 3.46Å; G139-Y164 CarbonylContact O-C 3.44Å; G139-Y164 WeakPolarHBondContact O-CA 3.28Å; G139-I165 PolarHBondContact N-O 3.16Å; G139-I165 VanDerWaalsContact N-O 3.09Å; G139-I165 PolarHBondContact O-N 2.95Å |
| 140 | E | 97.1 | Very high | 93.4 | Very high | 93 Ų | 93 | 38.3 Ų | 38.3 | 44% | 0.435 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 130.8 | 172.9 | -168.9 | 172.6 | -117.9 | 0 | 0 | 111.1 | Y105 S142 S162 Y164 | Y105-E140 WeakPolarHBondContact CA-O 3.31Å; E140-S142 WeakPolarHBondContact CG-OG 3.34Å; E140-S142 PolarHBondContact OE2-OG 3.47Å; E140-S162 PolarHBondContact OE1-OG 2.85Å; E140-Y164 HydrophobicContact CB-CD2 3.97Å |
| 141 | F | 97.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 120 | 168 | -68.8 | -102.8 | 0 | 0 | 0 | 107.6 | L94 P106 L128 L130 D137 S162 T163 I165 F167 | L94-F141 HydrophobicContact CD1-CB 3.68Å; L94-F141 HydrophobicContact CD1-CD1 4.45Å; L94-F141 HydrophobicContact CD1-CG 4.28Å; P106-F141 HydrophobicContact CG-CE2 4.31Å; P106-F141 HydrophobicContact CG-CZ 4.31Å; L128-F141 HydrophobicContact CD1-CD1 4.29Å; L128-F141 HydrophobicContact CD2-CD1 4.12Å; L128-F141 HydrophobicContact CD2-CE1 4.3Å; L130-F141 HydrophobicContact CD2-CE1 4.24Å; L130-F141 HydrophobicContact CD2-CZ 4.02Å; D137-F141 WeakPolarHBondContact O-CE2 3.03Å; F141-S162 CarbonylContact O-C 3.56Å; F141-S162 VanDerWaalsContact O-CA 3.31Å; F141-S162 WeakPolarHBondContact O-CA 3.28Å; F141-T163 HydrophobicContact CB-CG2 4.34Å; F141-T163 PolarHBondContact N-O 3.31Å; F141-T163 PolarHBondContact O-N 2.85Å; F141-I165 HydrophobicContact CB-CD1 4.41Å; F141-I165 HydrophobicContact CD2-CB 4.14Å; F141-I165 HydrophobicContact CD2-CD1 3.56Å; F141-I165 HydrophobicContact CD2-CG1 3.72Å; F141-I165 HydrophobicContact CE2-CB 4.18Å; F141-I165 HydrophobicContact CE2-CD1 3.97Å; F141-I165 HydrophobicContact CE2-CG1 4.21Å; F141-I165 HydrophobicContact CG-CD1 3.98Å; F141-I165 HydrophobicContact CG-CG1 4.48Å; F141-F167 HydrophobicContact CE2-CE2 4.12Å; F141-F167 HydrophobicContact CZ-CE2 4.28Å |
| 142 | S | 96.7 | Very high | 92.4 | Very high | 15 Ų | 15 | 52.3 Ų | 52.3 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.2 | -169.4 | -83.5 | 0 | 0 | 0 | 0 | 110.8 | W103 S104 E140 G161 S162 | W103-S142 CarbonylContact C-O 3.57Å; W103-S142 WeakPolarHBondContact CA-O 3.08Å; S104-S142 PolarHBondContact N-O 3.4Å; S104-S142 PolarHBondContact O-N 3.47Å; S104-S142 VanDerWaalsContact O-O 3.11Å; E140-S142 WeakPolarHBondContact CG-OG 3.34Å; E140-S142 PolarHBondContact OE2-OG 3.47Å; S142-G161 CarbonylContact C-O 3.29Å; S142-G161 WeakPolarHBondContact CA-O 3.22Å; S142-S162 WeakPolarHBondContact OG-CB 3.48Å |
| 143 | C | 96.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 153.9 | 174.2 | 70.8 | 0 | 0 | 0 | 0 | 110.8 | M68 C96 V101 E102 W103 T160 G161 | M68-C143 HydrophobicContact CE-CB 4.23Å; C96-C143 HydrophobicContact CB-CB 3.71Å; C96-C143 WeakPolarHBondContact CB-SG 3.34Å; C96-C143 WeakPolarHBondContact SG-CB 3.46Å; C96-C143 CovalentContact SG-SG 2.02Å; C96-C143 PolarHBondContact SG-SG 2.81Å; V101-C143 HydrophobicContact CG1-CB 3.91Å; E102-C143 CarbonylContact O-C 3.58Å; E102-C143 VanDerWaalsContact O-CA 3.25Å; E102-C143 WeakPolarHBondContact O-CA 3.35Å; W103-C143 HydrophobicContact CD2-CB 3.9Å; W103-C143 HydrophobicContact CE3-CB 3.72Å; W103-C143 HydrophobicContact CH2-CB 4.21Å; W103-C143 HydrophobicContact CZ2-CB 4.36Å; W103-C143 HydrophobicContact CZ3-CB 3.89Å; C143-T160 CarbonylContact O-C 3.46Å; C143-T160 WeakPolarHBondContact O-CA 3.22Å; C143-G161 PolarHBondContact N-O 3.13Å; C143-G161 PolarHBondContact O-N 3.2Å |
| 144 | W | 95.4 | Very high | 91.8 | Very high | 36 Ų | 36 | 58.8 Ų | 58.8 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 145.8 | 172.9 | 56 | 93 | 0 | 0 | 0 | 112.8 | V101 E102 R155 R159 T160 | V101-W144 WeakPolarHBondContact CA-O 3.37Å; E102-W144 HydrophobicContact CB-CD2 4.15Å; E102-W144 HydrophobicContact CB-CG 4.4Å; E102-W144 HydrophobicContact CB-CZ2 3.79Å; E102-W144 HydrophobicContact CG-CH2 4.15Å; E102-W144 HydrophobicContact CG-CZ2 3.42Å; E102-W144 VanDerWaalsContact CG-CZ2 3.42Å; E102-W144 PolarHBondContact N-O 3.17Å; E102-W144 PolarHBondContact O-N 2.85Å; W144-R155 HydrophobicContact CB-CG 3.98Å; W144-R155 HydrophobicContact CD2-CG 4.34Å; W144-R155 VanDerWaalsContact CD2-NE 3.3Å; W144-R155 VanDerWaalsContact CE3-NH2 3.32Å; W144-R155 HydrophobicContact CG-CB 4.28Å; W144-R155 HydrophobicContact CG-CG 3.7Å; W144-R155 VanDerWaalsContact CZ2-NH2 3.32Å; W144-R159 CarbonylContact C-O 3.58Å; W144-R159 WeakPolarHBondContact CA-O 3.16Å; W144-T160 HydrophobicContact CB-CG2 4.08Å |
| 145 | G | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 151.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | D156 R159 | G145-D156 WeakPolarHBondContact O-CB 3.37Å; G145-D156 PolarHBondContact O-N 2.89Å; G145-R159 PolarHBondContact N-O 2.84Å |
| 146 | Q | 89.3 | Confident | 91.3 | Very high | 60 Ų | 60 | 63.7 Ų | 63.7 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.2 | 177.1 | -158.8 | 174.6 | 16.8 | 0 | 0 | 109.9 | K100 C153 R159 | K100-Q146 HydrophobicContact CB-CB 4.47Å; Q146-C153 HydrophobicContact CG-CB 3.83Å; Q146-R159 PolarHBondContact O-NH2 2.98Å |
| 147 | L | 86.9 | Confident | 91.1 | Very high | 98 Ų | 98 | 70 Ų | 70 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 109 | 170.8 | -80.6 | 164.9 | 0 | 0 | 0 | 108.3 | C153 R154 D156 | L147-C153 CarbonylContact O-C 3.59Å; L147-C153 WeakPolarHBondContact O-CA 3.35Å; L147-R154 PolarHBondContact N-O 3.17Å; L147-R154 PolarHBondContact O-N 2.9Å; L147-D156 HydrophobicContact CD1-CB 3.83Å; L147-D156 HydrophobicContact CG-CB 3.85Å |
| 148 | C | 87 | Confident | 90.7 | Very high | 57 Ų | 57 | 73.9 Ų | 73.9 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 130.1 | 178.4 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | I152 C153 | C148-I152 WeakPolarHBondContact CA-O 3.41Å; C148-C153 HydrophobicContact CB-CB 4.13Å; C148-C153 WeakPolarHBondContact CB-SG 3.41Å; C148-C153 WeakPolarHBondContact SG-CB 3.46Å; C148-C153 CovalentContact SG-SG 2.05Å; C148-C153 PolarHBondContact SG-SG 2.96Å |
| 149 | N | 86.3 | Confident | 90.4 | Very high | 144 Ų | 144 | 77.4 Ų | 77.4 | 77% | 0.77 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 102.9 | 167 | -173.5 | 11.6 | 0 | 0 | 0 | 107.9 | Y151 I152 | N149-Y151 PolarHBondContact O-N 3.04Å; N149-I152 PolarHBondContact N-O 2.83Å; N149-I152 PolarHBondContact O-N 2.92Å; N149-I152 VanDerWaalsContact O-N 3.15Å |
| 150 | G | 85.8 | Confident | 90.3 | Very high | 65 Ų | 65 | 79.5 Ų | 79.5 | 67% | 0.67 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | -128.4 | -163.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 151 | Y | 84.3 | Confident | 90.3 | Very high | 238 Ų | 238 | 75.3 Ų | 75.3 | 93% | 0.933 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -15.9 | 177.3 | -57 | -79.6 | 0 | 0 | 0 | 114.1 | N149 C153 | N149-Y151 PolarHBondContact O-N 3.04Å; Y151-C153 PolarHBondContact O-N 2.7Å |
| 152 | I | 84.8 | Confident | 90.2 | Very high | 117 Ų | 117 | 77.8 Ų | 77.8 | 60% | 0.6 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 111.9 | -177.2 | -59.4 | 176.1 | 0 | 0 | 0 | 108.9 | C148 N149 | C148-I152 WeakPolarHBondContact CA-O 3.41Å; N149-I152 PolarHBondContact N-O 2.83Å; N149-I152 PolarHBondContact O-N 2.92Å; N149-I152 VanDerWaalsContact O-N 3.15Å |
| 153 | C | 87.4 | Confident | 90.3 | Very high | 53 Ų | 53 | 77.1 Ų | 77.1 | 36% | 0.358 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 142.3 | 179.1 | -61.2 | 0 | 0 | 0 | 0 | 111.9 | Q146 L147 C148 Y151 | Q146-C153 HydrophobicContact CG-CB 3.83Å; L147-C153 CarbonylContact O-C 3.59Å; L147-C153 WeakPolarHBondContact O-CA 3.35Å; C148-C153 HydrophobicContact CB-CB 4.13Å; C148-C153 WeakPolarHBondContact CB-SG 3.41Å; C148-C153 WeakPolarHBondContact SG-CB 3.46Å; C148-C153 CovalentContact SG-SG 2.05Å; C148-C153 PolarHBondContact SG-SG 2.96Å; Y151-C153 PolarHBondContact O-N 2.7Å |
| 154 | R | 89 | Confident | 90.3 | Very high | 189 Ų | 189 | 77.4 Ų | 77.4 | 71% | 0.713 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 160.2 | 179.6 | -64.5 | -175.6 | 177.9 | -178.8 | -1.2 | 111.5 | L147 | L147-R154 PolarHBondContact N-O 3.17Å; L147-R154 PolarHBondContact O-N 2.9Å |
| 155 | R | 90.6 | Very high | 90.4 | Very high | 134 Ų | 134 | 75.7 Ų | 75.7 | 51% | 0.506 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 130.3 | 171.8 | 170.8 | 174.2 | -71.8 | 170.8 | -2.5 | 110.2 | W144 E157 | W144-R155 HydrophobicContact CB-CG 3.98Å; W144-R155 HydrophobicContact CD2-CG 4.34Å; W144-R155 VanDerWaalsContact CD2-NE 3.3Å; W144-R155 VanDerWaalsContact CE3-NH2 3.32Å; W144-R155 HydrophobicContact CG-CB 4.28Å; W144-R155 HydrophobicContact CG-CG 3.7Å; W144-R155 VanDerWaalsContact CZ2-NH2 3.32Å; R155-E157 HydrophobicContact CG-CG 4.49Å; R155-E157 PolarHBondContact O-N 3.37Å |
| 156 | D | 89.3 | Confident | 90.6 | Very high | 11 Ų | 11 | 75.7 Ų | 75.7 | 6% | 0.059 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 94.7 | 172.5 | -169.8 | -23.6 | 0 | 0 | 0 | 110 | G145 L147 S158 R159 | G145-D156 WeakPolarHBondContact O-CB 3.37Å; G145-D156 PolarHBondContact O-N 2.89Å; L147-D156 HydrophobicContact CD1-CB 3.83Å; L147-D156 HydrophobicContact CG-CB 3.85Å; D156-S158 PolarHBondContact O-N 2.05Å; D156-S158 WeakPolarHBondContact OD1-CB 3.44Å; D156-S158 PolarHBondContact OD1-N 3.42Å; D156-S158 PolarHBondContact OD1-OG 3.42Å; D156-R159 HydrophobicContact CB-CB 4.27Å; D156-R159 CarbonylContact O-C 3.53Å; D156-R159 VanDerWaalsContact O-C 3.29Å; D156-R159 PolarHBondContact O-N 3.39Å; D156-R159 PolarHBondContact OD1-N 3.21Å; D156-R159 IonicContact OD2-CZ 3.51Å; D156-R159 IonicContact OD2-NE 2.71Å; D156-R159 PolarHBondContact OD2-NE 2.78Å; D156-R159 IonicContact OD2-NH2 2.75Å; D156-R159 PolarHBondContact OD2-NH2 2.85Å |
| 157 | E | 88.1 | Confident | 91 | Very high | 155 Ų | 155 | 72.9 Ų | 72.9 | 72% | 0.724 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | -29.8 | -178.2 | -61.1 | -172.1 | 157 | 0 | 0 | 112.7 | R155 R159 T160 | R155-E157 HydrophobicContact CG-CG 4.49Å; R155-E157 PolarHBondContact O-N 3.37Å; E157-R159 VanDerWaalsContact C-N 3.27Å; E157-R159 PolarHBondContact O-N 3.07Å; E157-T160 PolarHBondContact O-OG1 3.15Å |
| 158 | S | 87.1 | Confident | 91.4 | Very high | 80 Ų | 80 | 69.3 Ų | 69.3 | 56% | 0.559 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | -23.2 | 176.7 | 82.7 | 0 | 0 | 0 | 0 | 113.3 | D156 | D156-S158 PolarHBondContact O-N 2.05Å; D156-S158 WeakPolarHBondContact OD1-CB 3.44Å; D156-S158 PolarHBondContact OD1-N 3.42Å; D156-S158 PolarHBondContact OD1-OG 3.42Å |
| 159 | R | 91.1 | Very high | 91.6 | Very high | 75 Ų | 75 | 70.7 Ų | 70.7 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 50.5 | 178.5 | -67.8 | -170.3 | -63.5 | 134.3 | 7.5 | 111.3 | I67 W144 G145 Q146 D156 E157 | I67-R159 HydrophobicContact CD1-CB 4.44Å; I67-R159 WeakPolarHBondContact CD1-O 3.31Å; I67-R159 HydrophobicContact CG2-CB 3.88Å; I67-R159 HydrophobicContact CG2-CG 4.17Å; W144-R159 CarbonylContact C-O 3.58Å; W144-R159 WeakPolarHBondContact CA-O 3.16Å; G145-R159 PolarHBondContact N-O 2.84Å; Q146-R159 PolarHBondContact O-NH2 2.98Å; D156-R159 HydrophobicContact CB-CB 4.27Å; D156-R159 CarbonylContact O-C 3.53Å; D156-R159 VanDerWaalsContact O-C 3.29Å; D156-R159 PolarHBondContact O-N 3.39Å; D156-R159 PolarHBondContact OD1-N 3.21Å; D156-R159 IonicContact OD2-CZ 3.51Å; D156-R159 IonicContact OD2-NE 2.71Å; D156-R159 PolarHBondContact OD2-NE 2.78Å; D156-R159 IonicContact OD2-NH2 2.75Å; D156-R159 PolarHBondContact OD2-NH2 2.85Å; E157-R159 VanDerWaalsContact C-N 3.27Å; E157-R159 PolarHBondContact O-N 3.07Å |
| 160 | T | 94.3 | Very high | 91.7 | Very high | 47 Ų | 47 | 73.1 Ų | 73.1 | 29% | 0.288 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 164.1 | 171.2 | 44.8 | 0 | 0 | 0 | 0 | 111.6 | S66 I67 C143 W144 E157 | S66-T160 VanDerWaalsContact CA-O 3.28Å; S66-T160 WeakPolarHBondContact CA-O 3.4Å; I67-T160 PolarHBondContact N-O 3.03Å; C143-T160 CarbonylContact O-C 3.46Å; C143-T160 WeakPolarHBondContact O-CA 3.22Å; W144-T160 HydrophobicContact CB-CG2 4.08Å; E157-T160 PolarHBondContact O-OG1 3.15Å |
| 161 | G | 95.6 | Very high | 91.7 | Very high | 5 Ų | 5 | 71.1 Ų | 71.1 | 5% | 0.052 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 137.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S66 M68 S142 C143 | S66-G161 VanDerWaalsContact OG-CA 3.28Å; S66-G161 WeakPolarHBondContact OG-CA 3.26Å; M68-G161 WeakPolarHBondContact CE-O 3.2Å; S142-G161 CarbonylContact C-O 3.29Å; S142-G161 WeakPolarHBondContact CA-O 3.22Å; C143-G161 PolarHBondContact N-O 3.13Å; C143-G161 PolarHBondContact O-N 3.2Å |
| 162 | S | 96.7 | Very high | 92.2 | Very high | 53 Ų | 53 | 63.1 Ų | 63.1 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156.3 | 176 | 70.4 | 0 | 0 | 0 | 0 | 112.5 | E140 F141 S142 | E140-S162 PolarHBondContact OE1-OG 2.85Å; F141-S162 CarbonylContact O-C 3.56Å; F141-S162 VanDerWaalsContact O-CA 3.31Å; F141-S162 WeakPolarHBondContact O-CA 3.28Å; S142-S162 WeakPolarHBondContact OG-CB 3.48Å |
| 163 | T | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 136.9 | 170.6 | -176 | 0 | 0 | 0 | 0 | 108.9 | M68 P80 A81 M84 L94 F141 I165 | M68-T163 HydrophobicContact SD-CG2 3.8Å; P80-T163 HydrophobicContact CB-CG2 4.31Å; P80-T163 HydrophobicContact CG-CG2 4.36Å; A81-T163 WeakPolarHBondContact O-CB 3.4Å; A81-T163 PolarHBondContact O-OG1 3.03Å; M84-T163 HydrophobicContact CE-CG2 4.18Å; L94-T163 HydrophobicContact CD1-CG2 4.16Å; L94-T163 HydrophobicContact CD2-CG2 4.48Å; F141-T163 HydrophobicContact CB-CG2 4.34Å; F141-T163 PolarHBondContact N-O 3.31Å; F141-T163 PolarHBondContact O-N 2.85Å; T163-I165 HydrophobicContact CG2-CD1 4.19Å; T163-I165 HydrophobicContact CG2-CG1 4Å |
| 164 | Y | 97.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 55.9 Ų | 55.9 | 4% | 0.035 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122.2 | 169.8 | -166.2 | -72.6 | 0 | 0 | 0 | 109.5 | A82 T83 M84 T138 G139 E140 F166 R197 K228 | A82-Y164 PolarHBondContact O-N 2.61Å; T83-Y164 CarbonylContact C-O 3.58Å; T83-Y164 WeakPolarHBondContact CA-O 3.38Å; M84-Y164 PolarHBondContact N-O 3.33Å; T138-Y164 HydrophobicContact CG2-CE1 3.87Å; G139-Y164 VanDerWaalsContact C-CD2 3.46Å; G139-Y164 CarbonylContact O-C 3.44Å; G139-Y164 WeakPolarHBondContact O-CA 3.28Å; E140-Y164 HydrophobicContact CB-CD2 3.97Å; Y164-F166 AromaticContact CD1-CD2 3.59Å; Y164-F166 HydrophobicContact CD1-CD2 3.59Å; Y164-F166 HydrophobicContact CD1-CE1 4.36Å; Y164-F166 AromaticContact CD1-CE2 3.21Å; Y164-F166 HydrophobicContact CD1-CE2 3.21Å; Y164-F166 HydrophobicContact CD1-CG 4.31Å; Y164-F166 AromaticContact CD1-CZ 3.66Å; Y164-F166 HydrophobicContact CD1-CZ 3.66Å; Y164-F166 HydrophobicContact CE1-CD1 4.13Å; Y164-F166 AromaticContact CE1-CD2 3.88Å; Y164-F166 HydrophobicContact CE1-CD2 3.88Å; Y164-F166 AromaticContact CE1-CE1 3.74Å; Y164-F166 HydrophobicContact CE1-CE1 3.74Å; Y164-F166 AromaticContact CE1-CE2 3.46Å; Y164-F166 HydrophobicContact CE1-CE2 3.46Å; Y164-F166 VanDerWaalsContact CE1-CE2 3.46Å; Y164-F166 HydrophobicContact CE1-CG 4.2Å; Y164-F166 AromaticContact CE1-CZ 3.39Å; Y164-F166 HydrophobicContact CE1-CZ 3.39Å; Y164-F166 HydrophobicContact CG-CE2 4.26Å; Y164-R197 PolarHBondContact OH-NH1 3.26Å; Y164-K228 VanDerWaalsContact CB-CE 3.42Å; Y164-K228 VanDerWaalsContact CB-NZ 3.27Å; Y164-K228 HydrophobicContact CD1-CD 4.5Å; Y164-K228 HydrophobicContact CD1-CG 4.25Å; Y164-K228 HydrophobicContact CD2-CB 4.05Å; Y164-K228 HydrophobicContact CD2-CD 3.5Å; Y164-K228 VanDerWaalsContact CD2-CD 3.5Å; Y164-K228 HydrophobicContact CD2-CG 3.66Å; Y164-K228 HydrophobicContact CE1-CG 4.24Å; Y164-K228 HydrophobicContact CE2-CB 3.61Å; Y164-K228 HydrophobicContact CE2-CD 4Å; Y164-K228 HydrophobicContact CE2-CG 3.64Å; Y164-K228 HydrophobicContact CG-CD 3.78Å; Y164-K228 HydrophobicContact CG-CG 3.97Å |
| 165 | I | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124 | -175.5 | -48.2 | -177.2 | 0 | 0 | 0 | 108.9 | M84 L86 V92 L94 T138 G139 F141 T163 F167 | M84-I165 HydrophobicContact CE-CD1 3.51Å; M84-I165 HydrophobicContact CE-CG1 3.64Å; M84-I165 HydrophobicContact CE-CG2 4.44Å; M84-I165 HydrophobicContact CG-CG1 4.32Å; L86-I165 HydrophobicContact CB-CG2 4.4Å; L86-I165 HydrophobicContact CD1-CG2 3.84Å; L86-I165 HydrophobicContact CG-CG2 4.14Å; V92-I165 HydrophobicContact CG1-CD1 3.96Å; L94-I165 HydrophobicContact CD1-CD1 4.49Å; T138-I165 WeakPolarHBondContact CA-O 3.29Å; G139-I165 PolarHBondContact N-O 3.16Å; G139-I165 VanDerWaalsContact N-O 3.09Å; G139-I165 PolarHBondContact O-N 2.95Å; F141-I165 HydrophobicContact CB-CD1 4.41Å; F141-I165 HydrophobicContact CD2-CB 4.14Å; F141-I165 HydrophobicContact CD2-CD1 3.56Å; F141-I165 HydrophobicContact CD2-CG1 3.72Å; F141-I165 HydrophobicContact CE2-CB 4.18Å; F141-I165 HydrophobicContact CE2-CD1 3.97Å; F141-I165 HydrophobicContact CE2-CG1 4.21Å; F141-I165 HydrophobicContact CG-CD1 3.98Å; F141-I165 HydrophobicContact CG-CG1 4.48Å; T163-I165 HydrophobicContact CG2-CD1 4.19Å; T163-I165 HydrophobicContact CG2-CG1 4Å; I165-F167 HydrophobicContact CB-CE2 4.01Å; I165-F167 HydrophobicContact CB-CZ 4.27Å; I165-F167 HydrophobicContact CD1-CZ 4.49Å; I165-F167 HydrophobicContact CG2-CD1 4.26Å; I165-F167 HydrophobicContact CG2-CD2 4.05Å; I165-F167 HydrophobicContact CG2-CE1 3.84Å; I165-F167 HydrophobicContact CG2-CE2 3.62Å; I165-F167 HydrophobicContact CG2-CG 4.38Å; I165-F167 HydrophobicContact CG2-CZ 3.53Å |
| 166 | F | 97.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 114.2 | 171.6 | -74.9 | -90.2 | 0 | 0 | 0 | 108.9 | T83 M84 S85 L86 T138 Y164 V198 T199 L201 M227 K228 | T83-F166 HydrophobicContact CG2-CD2 3.75Å; T83-F166 HydrophobicContact CG2-CE2 3.52Å; M84-F166 PolarHBondContact O-N 3Å; S85-F166 CarbonylContact C-O 3.55Å; S85-F166 WeakPolarHBondContact CA-O 3.43Å; L86-F166 PolarHBondContact N-O 3.33Å; T138-F166 HydrophobicContact CG2-CD1 4.09Å; Y164-F166 AromaticContact CD1-CD2 3.59Å; Y164-F166 HydrophobicContact CD1-CD2 3.59Å; Y164-F166 HydrophobicContact CD1-CE1 4.36Å; Y164-F166 AromaticContact CD1-CE2 3.21Å; Y164-F166 HydrophobicContact CD1-CE2 3.21Å; Y164-F166 HydrophobicContact CD1-CG 4.31Å; Y164-F166 AromaticContact CD1-CZ 3.66Å; Y164-F166 HydrophobicContact CD1-CZ 3.66Å; Y164-F166 HydrophobicContact CE1-CD1 4.13Å; Y164-F166 AromaticContact CE1-CD2 3.88Å; Y164-F166 HydrophobicContact CE1-CD2 3.88Å; Y164-F166 AromaticContact CE1-CE1 3.74Å; Y164-F166 HydrophobicContact CE1-CE1 3.74Å; Y164-F166 AromaticContact CE1-CE2 3.46Å; Y164-F166 HydrophobicContact CE1-CE2 3.46Å; Y164-F166 VanDerWaalsContact CE1-CE2 3.46Å; Y164-F166 HydrophobicContact CE1-CG 4.2Å; Y164-F166 AromaticContact CE1-CZ 3.39Å; Y164-F166 HydrophobicContact CE1-CZ 3.39Å; Y164-F166 HydrophobicContact CG-CE2 4.26Å; F166-V198 WeakPolarHBondContact CD1-O 3.5Å; F166-V198 HydrophobicContact CE1-CG2 4.2Å; F166-V198 WeakPolarHBondContact CE1-O 3.21Å; F166-T199 WeakPolarHBondContact CB-O 3.41Å; F166-L201 HydrophobicContact CD1-CD2 4.31Å; F166-L201 HydrophobicContact CD2-CD2 3.58Å; F166-L201 HydrophobicContact CD2-CG 4.03Å; F166-L201 HydrophobicContact CE1-CD2 4.17Å; F166-L201 HydrophobicContact CE2-CD2 3.42Å; F166-L201 VanDerWaalsContact CE2-CD2 3.42Å; F166-L201 HydrophobicContact CE2-CG 4.35Å; F166-L201 HydrophobicContact CG-CD2 4.03Å; F166-L201 HydrophobicContact CG-CG 4.13Å; F166-L201 HydrophobicContact CZ-CD2 3.74Å; F166-M227 HydrophobicContact CE1-CB 4.49Å; F166-M227 HydrophobicContact CE2-SD 4.2Å; F166-M227 HydrophobicContact CZ-CB 4.22Å; F166-M227 HydrophobicContact CZ-CG 3.93Å; F166-M227 HydrophobicContact CZ-SD 3.72Å; F166-K228 HydrophobicContact CZ-CG 4.46Å |
| 167 | F | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 103.4 | 176 | -68 | -75.6 | 0 | 0 | 0 | 110 | L86 V92 L130 S133 S134 D137 T138 F141 I165 T199 | L86-F167 HydrophobicContact CB-CD1 3.94Å; L86-F167 HydrophobicContact CB-CE1 4.01Å; L86-F167 HydrophobicContact CD1-CE1 4.04Å; L86-F167 CarbonylContact O-C 3.57Å; L86-F167 WeakPolarHBondContact O-CA 3.41Å; V92-F167 HydrophobicContact CG2-CE1 3.61Å; V92-F167 HydrophobicContact CG2-CZ 3.63Å; L130-F167 HydrophobicContact CD2-CE2 4.45Å; L130-F167 HydrophobicContact CD2-CZ 4.22Å; S133-F167 WeakPolarHBondContact OG-CD1 3.39Å; S133-F167 WeakPolarHBondContact OG-CE1 3.36Å; S134-F167 WeakPolarHBondContact O-CB 3.44Å; D137-F167 VanDerWaalsContact C-CD2 3.48Å; D137-F167 HydrophobicContact CB-CD2 3.65Å; D137-F167 HydrophobicContact CB-CE2 3.61Å; D137-F167 HydrophobicContact CB-CZ 4.46Å; D137-F167 WeakPolarHBondContact O-CE2 3.43Å; T138-F167 PolarHBondContact OG1-N 2.74Å; F141-F167 HydrophobicContact CE2-CE2 4.12Å; F141-F167 HydrophobicContact CZ-CE2 4.28Å; I165-F167 HydrophobicContact CB-CE2 4.01Å; I165-F167 HydrophobicContact CB-CZ 4.27Å; I165-F167 HydrophobicContact CD1-CZ 4.49Å; I165-F167 HydrophobicContact CG2-CD1 4.26Å; I165-F167 HydrophobicContact CG2-CD2 4.05Å; I165-F167 HydrophobicContact CG2-CE1 3.84Å; I165-F167 HydrophobicContact CG2-CE2 3.62Å; I165-F167 HydrophobicContact CG2-CG 4.38Å; I165-F167 HydrophobicContact CG2-CZ 3.53Å; F167-T199 WeakPolarHBondContact O-CB 3.4Å |
| 168 | T | 95.1 | Very high | 93.3 | Very high | 23 Ų | 23 | 44.9 Ų | 44.9 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.9 | -176.1 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | S85 L86 M87 A88 T199 V200 | S85-T168 WeakPolarHBondContact OG-CG2 3.39Å; L86-T168 PolarHBondContact O-N 3.22Å; L86-T168 PolarHBondContact O-OG1 2.86Å; L86-T168 VanDerWaalsContact O-OG1 3.1Å; M87-T168 PolarHBondContact SD-OG1 3.06Å; A88-T168 PolarHBondContact N-O 2.95Å; T168-T199 WeakPolarHBondContact CG2-O 3.28Å; T168-V200 HydrophobicContact CG2-CG2 4Å |
| 169 | E | 92.8 | Very high | 93.3 | Very high | 87 Ų | 87 | 43 Ų | 43 | 41% | 0.407 | 24% | 0.24 | S | C | . | . | trans | -128.1 | 156.2 | -179.4 | -172.6 | 162.2 | -167.4 | 0 | 0 | 110.7 | A88 S135 G171 E172 | A88-E169 HydrophobicContact CB-CB 4Å; A88-E169 HydrophobicContact CB-CG 4.19Å; S135-E169 VanDerWaalsContact CB-OE2 3.23Å; S135-E169 WeakPolarHBondContact CB-OE2 3Å; S135-E169 PolarHBondContact N-OE2 3.01Å; S135-E169 PolarHBondContact OG-OE2 3.1Å; E169-G171 PolarHBondContact O-N 3.33Å; E169-E172 HydrophobicContact CB-CB 4.35Å | ||
| 170 | K | 87.8 | Confident | 93.1 | Very high | 195 Ų | 195 | 49.7 Ų | 49.7 | 85% | 0.848 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -79.9 | 47.3 | -164.6 | -161.7 | -161.9 | 166.6 | 179.5 | 0 | 114.6 | K253 | K170-K253 PolarHBondContact O-NZ 3.13Š|
| 171 | G | 85.8 | Confident | 92.9 | Very high | 23 Ų | 23 | 54 Ų | 54 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 170.9 | -36.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E169 L173 | E169-G171 PolarHBondContact O-N 3.33Å; G171-L173 PolarHBondContact O-N 2.85Å |
| 172 | E | 93.4 | Very high | 92.7 | Very high | 69 Ų | 69 | 55.7 Ų | 55.7 | 32% | 0.322 | 29% | 0.289 | S | S | . | . | trans | -76.8 | 110.1 | 178 | -51 | -44.5 | 122.1 | 0 | 0 | 110.8 | E169 T199 Q255 | E169-E172 HydrophobicContact CB-CB 4.35Å; E172-T199 PolarHBondContact O-OG1 2.85Å; E172-Q255 PolarHBondContact OE2-NE2 3.13Å | ||
| 173 | L | 96.2 | Very high | 92.5 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | trans | -95 | -25.3 | 171 | -56 | -174 | 0 | 0 | 0 | 111.7 | G171 V198 T199 V200 A248 A250 Q255 | G171-L173 PolarHBondContact O-N 2.85Å; L173-V198 CarbonylContact O-C 3.6Å; L173-V198 WeakPolarHBondContact O-CA 3.4Å; L173-V198 VanDerWaalsContact O-CB 3.26Å; L173-V198 WeakPolarHBondContact O-CB 3.42Å; L173-V198 WeakPolarHBondContact O-CG1 3.42Å; L173-T199 VanDerWaalsContact CA-OG1 3.28Å; L173-T199 WeakPolarHBondContact CA-OG1 3.2Å; L173-T199 PolarHBondContact O-N 3.09Å; L173-T199 PolarHBondContact O-OG1 2.86Å; L173-T199 VanDerWaalsContact O-OG1 3.07Å; L173-V200 HydrophobicContact CD2-CG2 3.98Å; L173-A248 HydrophobicContact CB-CB 3.84Å; L173-A248 HydrophobicContact CD1-CB 3.97Å; L173-A250 HydrophobicContact CD1-CB 4.29Å; L173-A250 HydrophobicContact CD2-CB 3.83Å; L173-Q255 HydrophobicContact CB-CB 4.24Å; L173-Q255 HydrophobicContact CD1-CB 4.13Å; L173-Q255 HydrophobicContact CG-CB 4.21Å | ||
| 174 | F | 96.6 | Very high | 92.4 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -101.1 | 155.9 | 172.9 | -68.6 | -68.3 | 0 | 0 | 0 | 111.7 | C196 R197 V198 T199 V205 C246 A248 Q255 | F174-C196 HydrophobicContact CD1-CB 4.07Å; F174-C196 HydrophobicContact CE1-CB 3.83Å; F174-R197 WeakPolarHBondContact CA-O 3.15Å; F174-V198 HydrophobicContact CD1-CG1 4.04Å; F174-V198 HydrophobicContact CE1-CG1 4.1Å; F174-T199 WeakPolarHBondContact O-CG2 3.31Å; F174-V205 HydrophobicContact CE1-CG1 4.12Å; F174-V205 HydrophobicContact CZ-CG1 4.19Å; F174-C246 HydrophobicContact CE1-CB 3.82Å; F174-C246 HydrophobicContact CZ-CB 3.57Å; F174-C246 WeakPolarHBondContact CZ-O 3.36Å; F174-A248 HydrophobicContact CD2-CB 4.33Å; F174-A248 HydrophobicContact CE1-CB 4.09Å; F174-A248 HydrophobicContact CE2-CB 3.64Å; F174-A248 HydrophobicContact CZ-CB 3.5Å; F174-Q255 HydrophobicContact CD2-CB 4.38Å; F174-Q255 HydrophobicContact CD2-CG 4.3Å; F174-Q255 VanDerWaalsContact N-OE1 3.11Å |
| 175 | V | 95.8 | Very high | 92.2 | Very high | 18 Ų | 18 | 58.2 Ų | 58.2 | 11% | 0.109 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -74 | 125.8 | 166 | -169.6 | 0 | 0 | 0 | 0 | 108 | T138 S177 R197 T199 | T138-V175 HydrophobicContact CG2-CG2 3.54Å; V175-S177 PolarHBondContact O-N 3.42Å; V175-R197 HydrophobicContact CB-CB 4.44Å; V175-R197 HydrophobicContact CG2-CB 3.89Å; V175-R197 PolarHBondContact N-O 3.44Å; V175-T199 HydrophobicContact CG2-CG2 4.19Å |
| 176 | P | 92.5 | Very high | 92 | Very high | 63 Ų | 63 | 58.2 Ų | 58.2 | 41% | 0.409 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 135.7 | -178.7 | -28.9 | 35.8 | 0 | 0 | 0 | 113.7 | A136 | A136-P176 HydrophobicContact CB-CG 4.44Š|
| 177 | S | 88.3 | Confident | 91.7 | Very high | 38 Ų | 38 | 58.4 Ų | 58.4 | 27% | 0.266 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -91.3 | 141.5 | 165.4 | -176 | 0 | 0 | 0 | 0 | 109.3 | V175 S179 D182 | V175-S177 PolarHBondContact O-N 3.42Å; S177-S179 PolarHBondContact O-N 3.1Å; S177-S179 PolarHBondContact OG-N 3.2Å; S177-D182 PolarHBondContact OG-OD2 2.74Å |
| 178 | P | 84.5 | Confident | 91.2 | Very high | 139 Ų | 139 | 61.4 Ų | 61.4 | 90% | 0.903 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -72.8 | -11.2 | 171.6 | 31.6 | -36.3 | 0 | 0 | 0 | 113.2 | ||
| 179 | S | 85.9 | Confident | 90.8 | Very high | 39 Ų | 39 | 64.2 Ų | 64.2 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -105 | 152.2 | 178.1 | -167.7 | 0 | 0 | 0 | 0 | 112.2 | S177 F181 D182 V258 | S177-S179 PolarHBondContact O-N 3.1Å; S177-S179 PolarHBondContact OG-N 3.2Å; S179-F181 VanDerWaalsContact C-N 3.34Å; S179-F181 WeakPolarHBondContact CB-O 3.16Å; S179-F181 PolarHBondContact OG-N 3.49Å; S179-F181 PolarHBondContact OG-O 3.5Å; S179-D182 VanDerWaalsContact CB-OD1 3.25Å; S179-D182 WeakPolarHBondContact CB-OD1 3.45Å; S179-V258 WeakPolarHBondContact O-CG1 3.32Å |
| 180 | Y | 86.9 | Confident | 90.6 | Very high | 217 Ų | 217 | 64.3 Ų | 64.3 | 85% | 0.851 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -76.8 | -22.8 | 170.7 | -65.6 | -78.8 | 0 | 0 | 0 | 112.9 | ||
| 181 | F | 90.2 | Very high | 90.9 | Very high | 136 Ų | 136 | 59.7 Ų | 59.7 | 60% | 0.596 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151 | 144.1 | 173.9 | 68.1 | -85.7 | 0 | 0 | 0 | 110.2 | S179 K259 | S179-F181 VanDerWaalsContact C-N 3.34Å; S179-F181 WeakPolarHBondContact CB-O 3.16Å; S179-F181 PolarHBondContact OG-N 3.49Å; S179-F181 PolarHBondContact OG-O 3.5Å; F181-K259 VanDerWaalsContact CA-O 3.22Å; F181-K259 WeakPolarHBondContact CA-O 3.48Å |
| 182 | D | 92.3 | Very high | 91.4 | Very high | 41 Ų | 41 | 58.9 Ų | 58.9 | 22% | 0.219 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.8 | -179.5 | -69.1 | -51.1 | 0 | 0 | 0 | 110.1 | S177 S179 K259 Y260 Q261 | S177-D182 PolarHBondContact OG-OD2 2.74Å; S179-D182 VanDerWaalsContact CB-OD1 3.25Å; S179-D182 WeakPolarHBondContact CB-OD1 3.45Å; D182-K259 PolarHBondContact N-O 3.3Å; D182-K259 VanDerWaalsContact N-O 3.1Å; D182-Y260 HydrophobicContact CB-CD1 3.71Å; D182-Y260 HydrophobicContact CB-CE1 3.85Å; D182-Y260 CarbonylContact O-C 3.6Å; D182-Y260 VanDerWaalsContact O-CA 3.27Å; D182-Y260 WeakPolarHBondContact O-CA 3.32Å; D182-Q261 PolarHBondContact O-N 3.05Å |
| 183 | V | 92.9 | Very high | 91.6 | Very high | 63 Ų | 63 | 57.6 Ų | 57.6 | 38% | 0.382 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136 | 178.3 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | Y185 L263 | V183-Y185 HydrophobicContact CG1-CD1 4.31Å; V183-Y185 HydrophobicContact CG1-CD2 4.4Å; V183-Y185 HydrophobicContact CG1-CE1 3.8Å; V183-Y185 HydrophobicContact CG1-CE2 3.88Å; V183-L263 HydrophobicContact CG1-CD1 3.78Å; V183-L263 HydrophobicContact CG1-CG 4.27Å |
| 184 | V | 94.8 | Very high | 91.6 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 112.1 | 178 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | L186 A192 V193 Y260 Q261 L262 L263 | V184-L186 HydrophobicContact CG1-CD2 4.38Å; V184-L186 PolarHBondContact O-N 2.84Å; V184-A192 HydrophobicContact CG1-CB 4.24Å; V184-V193 WeakPolarHBondContact CG1-O 3.4Å; V184-Y260 HydrophobicContact CG2-CD1 4.32Å; V184-Q261 PolarHBondContact N-O 3.01Å; V184-L262 HydrophobicContact CB-CD1 4.03Å; V184-L262 HydrophobicContact CB-CG 4.24Å; V184-L262 HydrophobicContact CG2-CD1 4.37Å; V184-L262 WeakPolarHBondContact O-CA 3.07Å; V184-L263 PolarHBondContact O-N 3.39Å |
| 185 | Y | 93.3 | Very high | 91.6 | Very high | 41 Ų | 41 | 59.4 Ų | 59.4 | 16% | 0.161 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 113.9 | 177.9 | -61.6 | -71.5 | 0 | 0 | 0 | 111.4 | V183 N187 L263 V265 P299 D300 | V183-Y185 HydrophobicContact CG1-CD1 4.31Å; V183-Y185 HydrophobicContact CG1-CD2 4.4Å; V183-Y185 HydrophobicContact CG1-CE1 3.8Å; V183-Y185 HydrophobicContact CG1-CE2 3.88Å; Y185-N187 PolarHBondContact O-ND2 2.9Å; Y185-L263 CarbonylContact C-O 3.6Å; Y185-L263 WeakPolarHBondContact CA-O 3.48Å; Y185-L263 HydrophobicContact CD1-CB 4.01Å; Y185-L263 HydrophobicContact CE1-CB 4.23Å; Y185-L263 HydrophobicContact CE1-CD1 3.94Å; Y185-V265 HydrophobicContact CD1-CG2 3.78Å; Y185-V265 HydrophobicContact CG-CG2 4.24Å; Y185-P299 HydrophobicContact CD1-CB 4.12Å; Y185-P299 HydrophobicContact CD1-CG 3.79Å; Y185-P299 HydrophobicContact CE1-CB 3.47Å; Y185-P299 VanDerWaalsContact CE1-CB 3.47Å; Y185-P299 HydrophobicContact CE1-CG 3.48Å; Y185-P299 VanDerWaalsContact CE1-CG 3.48Å; Y185-P299 HydrophobicContact CE2-CB 4.06Å; Y185-P299 WeakPolarHBondContact OH-CB 3.4Å; Y185-D300 VanDerWaalsContact CD2-OD2 3.3Å; Y185-D300 WeakPolarHBondContact CD2-OD2 3.36Å; Y185-D300 WeakPolarHBondContact CE2-OD1 3.38Å; Y185-D300 WeakPolarHBondContact CE2-OD2 3.26Å; Y185-D300 PolarHBondContact OH-OD1 2.92Å |
| 186 | L | 93.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 126 | 170.4 | -53.9 | -173.3 | 0 | 0 | 0 | 108.5 | V184 A192 P236 H240 L262 L263 Y264 V265 | V184-L186 HydrophobicContact CG1-CD2 4.38Å; V184-L186 PolarHBondContact O-N 2.84Å; L186-A192 HydrophobicContact CD2-CB 3.56Å; L186-P236 HydrophobicContact CB-CB 3.76Å; L186-P236 HydrophobicContact CD2-CB 4.21Å; L186-P236 HydrophobicContact CG-CB 4.44Å; L186-H240 HydrophobicContact CD1-CB 3.61Å; L186-L262 HydrophobicContact CD1-CB 4.03Å; L186-L262 HydrophobicContact CD1-CD2 4.3Å; L186-L262 HydrophobicContact CD1-CG 4.41Å; L186-L262 HydrophobicContact CD2-CB 4.42Å; L186-L262 HydrophobicContact CD2-CD2 4.13Å; L186-L262 HydrophobicContact CD2-CG 4.05Å; L186-L262 HydrophobicContact CG-CB 4.15Å; L186-L262 HydrophobicContact CG-CG 4.34Å; L186-L263 PolarHBondContact N-O 3.45Å; L186-Y264 HydrophobicContact CB-CD2 3.92Å; L186-Y264 CarbonylContact O-C 3.58Å; L186-Y264 WeakPolarHBondContact O-CA 3.5Å; L186-V265 PolarHBondContact O-N 3.33Å |
| 187 | N | 90 | Very high | 91.9 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -131.8 | 139.6 | -177.1 | -66.4 | -99.4 | 0 | 0 | 0 | 108.1 | Y185 D189 R190 P236 V265 | Y185-N187 PolarHBondContact O-ND2 2.9Å; N187-D189 VanDerWaalsContact C-N 3.26Å; N187-D189 PolarHBondContact O-N 2.85Å; N187-R190 HydrophobicContact CB-CG 3.76Å; N187-R190 PolarHBondContact ND2-NH2 3.5Å; N187-R190 VanDerWaalsContact O-O 3.07Å; N187-R190 PolarHBondContact OD1-NH2 2.02Å; N187-P236 WeakPolarHBondContact O-CD 3.39Å; N187-P236 WeakPolarHBondContact O-CG 3.43Å; N187-V265 WeakPolarHBondContact OD1-CB 3.11Å |
| 188 | P | 86.9 | Confident | 92.3 | Very high | 64 Ų | 64 | 57.1 Ų | 57.1 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -18.9 | -176.3 | 26.2 | -34 | 0 | 0 | 0 | 114.3 | V265 | P188-V265 VanDerWaalsContact CD-O 3.27Å; P188-V265 WeakPolarHBondContact CD-O 3.32Å |
| 189 | D | 86.5 | Confident | 92.8 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 43% | 0.433 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -4.8 | -172.3 | 61.2 | -1.2 | 0 | 0 | 0 | 114.2 | N187 S269 | N187-D189 VanDerWaalsContact C-N 3.26Å; N187-D189 PolarHBondContact O-N 2.85Å; D189-S269 VanDerWaalsContact CG-OG 3.27Å; D189-S269 PolarHBondContact OD1-OG 3.13Å; D189-S269 WeakPolarHBondContact OD2-CB 3.25Å; D189-S269 PolarHBondContact OD2-N 2.66Å; D189-S269 PolarHBondContact OD2-OG 3.07Å |
| 190 | R | 89.4 | Confident | 93.3 | Very high | 90 Ų | 90 | 49.7 Ų | 49.7 | 34% | 0.34 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -154.8 | 153.8 | -175.6 | 64.9 | -167.1 | -170.9 | -147.5 | 7.8 | 113.3 | N187 P236 S269 E298 | N187-R190 HydrophobicContact CB-CG 3.76Å; N187-R190 PolarHBondContact ND2-NH2 3.5Å; N187-R190 VanDerWaalsContact O-O 3.07Å; N187-R190 PolarHBondContact OD1-NH2 2.02Å; R190-P236 WeakPolarHBondContact O-CD 3.4Å; R190-P236 WeakPolarHBondContact O-CG 3.37Å; R190-S269 PolarHBondContact NH1-OG 3.11Å; R190-E298 IonicContact CZ-OE2 3.23Å; R190-E298 VanDerWaalsContact NH1-CD 3.28Å; R190-E298 IonicContact NH1-OE1 2.83Å; R190-E298 PolarHBondContact NH1-OE1 2.81Å; R190-E298 IonicContact NH1-OE2 3.4Å; R190-E298 PolarHBondContact NH1-OE2 2.88Å; R190-E298 IonicContact NH2-OE2 2.88Å; R190-E298 PolarHBondContact NH2-OE2 2.85Å |
| 191 | Q | 94.6 | Very high | 93.6 | Very high | 97 Ų | 97 | 42.9 Ų | 42.9 | 45% | 0.453 | 22% | 0.218 | S | C | . | . | trans | -59.8 | 141 | 175.6 | -61.1 | -178.6 | -5.3 | 0 | 0 | 111.8 | R229 V232 Y233 | Q191-R229 VanDerWaalsContact OE1-NH2 3.16Å; Q191-V232 HydrophobicContact CB-CG1 3.99Å; Q191-V232 HydrophobicContact CG-CG1 4.32Å; Q191-Y233 VanDerWaalsContact CA-O 3.31Å; Q191-Y233 WeakPolarHBondContact CA-O 3.32Å | ||
| 192 | A | 95.5 | Very high | 93.7 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 5% | 0.05 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 149.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.5 | V184 L186 V232 Y233 P236 | V184-A192 HydrophobicContact CG1-CB 4.24Å; L186-A192 HydrophobicContact CD2-CB 3.56Å; A192-V232 CarbonylContact O-C 3.55Å; A192-V232 WeakPolarHBondContact O-CA 3.1Å; A192-Y233 PolarHBondContact N-O 3.34Å; A192-Y233 VanDerWaalsContact N-O 3.15Å; A192-Y233 PolarHBondContact O-N 2.71Å; A192-P236 HydrophobicContact CB-CG 3.81Å |
| 193 | V | 97.2 | Very high | 93.8 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 26% | 0.255 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129 | -176.4 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | V184 P195 R229 F231 V232 | V184-V193 WeakPolarHBondContact CG1-O 3.4Å; V193-P195 WeakPolarHBondContact O-CD 3.45Å; V193-R229 HydrophobicContact CG1-CB 4.19Å; V193-R229 VanDerWaalsContact CG1-O 3.27Å; V193-R229 WeakPolarHBondContact CG1-O 3.33Å; V193-F231 CarbonylContact C-O 3.53Å; V193-F231 WeakPolarHBondContact CA-O 3.47Å; V193-V232 HydrophobicContact CG1-CG2 4.38Å; V193-V232 HydrophobicContact CG2-CG1 4.31Å; V193-V232 HydrophobicContact CG2-CG2 4.21Å |
| 194 | V | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 103.4 | 167.9 | 177.9 | 0 | 0 | 0 | 0 | 107.2 | C196 L207 G230 F231 Y233 V244 Y260 L262 | V194-C196 PolarHBondContact O-N 3.32Å; V194-L207 HydrophobicContact CG1-CD1 4.43Å; V194-G230 VanDerWaalsContact O-CA 3.31Å; V194-G230 WeakPolarHBondContact O-CA 3.34Å; V194-F231 HydrophobicContact CB-CB 4.34Å; V194-F231 PolarHBondContact N-O 3.29Å; V194-F231 PolarHBondContact O-N 3.34Å; V194-F231 VanDerWaalsContact O-N 3.13Å; V194-Y233 HydrophobicContact CG2-CD2 4.36Å; V194-Y233 HydrophobicContact CG2-CE2 3.84Å; V194-V244 HydrophobicContact CG1-CG2 4.15Å; V194-V244 HydrophobicContact CG2-CG2 4.17Å; V194-Y260 HydrophobicContact CG1-CD1 4.33Å; V194-Y260 HydrophobicContact CG1-CD2 3.29Å; V194-Y260 HydrophobicContact CG1-CE2 3.7Å; V194-Y260 HydrophobicContact CG1-CG 3.65Å; V194-L262 HydrophobicContact CG2-CD1 4.19Å; V194-L262 HydrophobicContact CG2-CD2 4.45Å |
| 195 | P | 96.4 | Very high | 94.1 | Very high | 57 Ų | 57 | 44.2 Ų | 44.2 | 37% | 0.37 | 23% | 0.232 | S | C | . | . | trans | -79.6 | 34.5 | -155.8 | 32.7 | -38.8 | 0 | 0 | 0 | 116 | V193 R197 R229 Y260 | V193-P195 WeakPolarHBondContact O-CD 3.45Å; P195-R197 PolarHBondContact O-N 2.84Å; P195-R229 WeakPolarHBondContact CA-O 3.47Å; P195-Y260 HydrophobicContact CG-CD1 4.29Å; P195-Y260 HydrophobicContact CG-CE1 3.65Å | ||
| 196 | C | 96.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | trans | -77.4 | 63.6 | -178.7 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | F174 V194 C246 Y260 | F174-C196 HydrophobicContact CD1-CB 4.07Å; F174-C196 HydrophobicContact CE1-CB 3.83Å; V194-C196 PolarHBondContact O-N 3.32Å; C196-C246 HydrophobicContact CB-CB 3.48Å; C196-C246 VanDerWaalsContact CB-CB 3.48Å; C196-C246 WeakPolarHBondContact CB-SG 3.37Å; C196-C246 WeakPolarHBondContact SG-CB 3.42Å; C196-C246 CovalentContact SG-SG 2.02Å; C196-C246 PolarHBondContact SG-SG 3.48Å; C196-Y260 HydrophobicContact CB-CE2 4.01Å | ||
| 197 | R | 96.4 | Very high | 94.5 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 25% | 0.249 | 23% | 0.23 | C | C | . | . | trans | -63.2 | 143.8 | 175.6 | -57.3 | -177.6 | -61.9 | 125.5 | -1.1 | 110.4 | T138 Y164 F174 V175 P195 K228 | T138-R197 PolarHBondContact O-NH1 3.25Å; Y164-R197 PolarHBondContact OH-NH1 3.26Å; F174-R197 WeakPolarHBondContact CA-O 3.15Å; V175-R197 HydrophobicContact CB-CB 4.44Å; V175-R197 HydrophobicContact CG2-CB 3.89Å; V175-R197 PolarHBondContact N-O 3.44Å; P195-R197 PolarHBondContact O-N 2.84Å; R197-K228 WeakPolarHBondContact CD-O 3.32Å | ||
| 198 | V | 96.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -98.3 | 154.9 | 179.3 | -72.1 | 0 | 0 | 0 | 0 | 113.1 | F166 L173 F174 A203 V205 Y225 M227 | F166-V198 WeakPolarHBondContact CD1-O 3.5Å; F166-V198 HydrophobicContact CE1-CG2 4.2Å; F166-V198 WeakPolarHBondContact CE1-O 3.21Å; L173-V198 CarbonylContact O-C 3.6Å; L173-V198 WeakPolarHBondContact O-CA 3.4Å; L173-V198 VanDerWaalsContact O-CB 3.26Å; L173-V198 WeakPolarHBondContact O-CB 3.42Å; L173-V198 WeakPolarHBondContact O-CG1 3.42Å; F174-V198 HydrophobicContact CD1-CG1 4.04Å; F174-V198 HydrophobicContact CE1-CG1 4.1Å; V198-A203 HydrophobicContact CG1-CB 4.19Å; V198-V205 HydrophobicContact CG1-CG2 3.58Å; V198-Y225 WeakPolarHBondContact CG1-OH 3.22Å; V198-M227 HydrophobicContact CG2-CB 3.91Å |
| 199 | T | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -91.5 | -21.3 | 169.7 | 51.1 | 0 | 0 | 0 | 0 | 112.4 | F166 F167 T168 E172 L173 F174 V175 | F166-T199 WeakPolarHBondContact CB-O 3.41Å; F167-T199 WeakPolarHBondContact O-CB 3.4Å; T168-T199 WeakPolarHBondContact CG2-O 3.28Å; E172-T199 PolarHBondContact O-OG1 2.85Å; L173-T199 VanDerWaalsContact CA-OG1 3.28Å; L173-T199 WeakPolarHBondContact CA-OG1 3.2Å; L173-T199 PolarHBondContact O-N 3.09Å; L173-T199 PolarHBondContact O-OG1 2.86Å; L173-T199 VanDerWaalsContact O-OG1 3.07Å; F174-T199 WeakPolarHBondContact O-CG2 3.31Å; V175-T199 HydrophobicContact CG2-CG2 4.19Å |
| 200 | V | 95.1 | Very high | 95.8 | Very high | 22 Ų | 22 | 43 Ų | 43 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | trans | -116.4 | 118.2 | -172.5 | 177.9 | 0 | 0 | 0 | 0 | 111.1 | T168 L173 S202 A203 A250 | T168-V200 HydrophobicContact CG2-CG2 4Å; L173-V200 HydrophobicContact CD2-CG2 3.98Å; V200-S202 WeakPolarHBondContact CG1-OG 3.21Å; V200-S202 PolarHBondContact O-N 2.92Å; V200-A203 HydrophobicContact CB-CB 4.31Å; V200-A203 VanDerWaalsContact O-CB 3.28Å; V200-A203 WeakPolarHBondContact O-CB 3.35Å; V200-A203 PolarHBondContact O-N 2.87Å; V200-A203 VanDerWaalsContact O-N 3.09Å; V200-A250 HydrophobicContact CG1-CB 4.04Å | ||
| 201 | L | 93.1 | Very high | 95.9 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 39% | 0.393 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.9 | -178.1 | -74.5 | 174 | 0 | 0 | 0 | 115.2 | T83 F166 M227 | T83-L201 HydrophobicContact CG2-CD1 4.25Å; T83-L201 HydrophobicContact CG2-CD2 3.82Å; F166-L201 HydrophobicContact CD1-CD2 4.31Å; F166-L201 HydrophobicContact CD2-CD2 3.58Å; F166-L201 HydrophobicContact CD2-CG 4.03Å; F166-L201 HydrophobicContact CE1-CD2 4.17Å; F166-L201 HydrophobicContact CE2-CD2 3.42Å; F166-L201 VanDerWaalsContact CE2-CD2 3.42Å; F166-L201 HydrophobicContact CE2-CG 4.35Å; F166-L201 HydrophobicContact CG-CD2 4.03Å; F166-L201 HydrophobicContact CG-CG 4.13Å; F166-L201 HydrophobicContact CZ-CD2 3.74Å; L201-M227 HydrophobicContact CD2-CE 4.25Å; L201-M227 HydrophobicContact CD2-SD 3.6Å |
| 202 | S | 93 | Very high | 95.8 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 69% | 0.685 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 7.2 | 179 | 55.8 | 0 | 0 | 0 | 0 | 114 | V200 K204 | V200-S202 WeakPolarHBondContact CG1-OG 3.21Å; V200-S202 PolarHBondContact O-N 2.92Å; S202-K204 PolarHBondContact O-N 2.87Å |
| 203 | A | 95.1 | Very high | 95.8 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 13% | 0.132 | 27% | 0.273 | C | S | . | . | trans | -70 | 122.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V198 V200 V205 E249 A250 | V198-A203 HydrophobicContact CG1-CB 4.19Å; V200-A203 HydrophobicContact CB-CB 4.31Å; V200-A203 VanDerWaalsContact O-CB 3.28Å; V200-A203 WeakPolarHBondContact O-CB 3.35Å; V200-A203 PolarHBondContact O-N 2.87Å; V200-A203 VanDerWaalsContact O-N 3.09Å; A203-V205 HydrophobicContact CB-CG2 4.33Å; A203-E249 WeakPolarHBondContact CA-O 3.39Å; A203-A250 HydrophobicContact CB-CB 4.2Å | ||
| 204 | K | 95.8 | Very high | 95.7 | Very high | 145 Ų | 145 | 54.4 Ų | 54.4 | 63% | 0.63 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 123.1 | 164.7 | -177.4 | -173.5 | 174.9 | -168.7 | 0 | 107.8 | S202 A248 E249 | S202-K204 PolarHBondContact O-N 2.87Å; K204-A248 CarbonylContact O-C 3.36Å; K204-A248 WeakPolarHBondContact O-CA 3.27Å; K204-E249 PolarHBondContact N-O 2.82Å; K204-E249 PolarHBondContact O-N 3.17Å |
| 205 | V | 97.3 | Very high | 95.7 | Very high | 20 Ų | 20 | 59.4 Ų | 59.4 | 12% | 0.121 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 141.3 | -179.8 | -167.9 | 0 | 0 | 0 | 0 | 110.6 | F174 V198 A203 Y225 F231 C246 K247 A248 | F174-V205 HydrophobicContact CE1-CG1 4.12Å; F174-V205 HydrophobicContact CZ-CG1 4.19Å; V198-V205 HydrophobicContact CG1-CG2 3.58Å; A203-V205 HydrophobicContact CB-CG2 4.33Å; V205-Y225 HydrophobicContact CB-CE1 4.07Å; V205-Y225 HydrophobicContact CB-CE2 4.03Å; V205-Y225 HydrophobicContact CG1-CE2 3.98Å; V205-Y225 HydrophobicContact CG2-CE1 4.04Å; V205-Y225 HydrophobicContact CG2-CE2 4.4Å; V205-Y225 WeakPolarHBondContact CG2-OH 3.42Å; V205-F231 HydrophobicContact CB-CZ 4.38Å; V205-F231 HydrophobicContact CG1-CE2 3.77Å; V205-F231 HydrophobicContact CG1-CZ 3.89Å; V205-C246 HydrophobicContact CG1-CB 4.16Å; V205-K247 CarbonylContact C-O 3.52Å; V205-K247 WeakPolarHBondContact CA-O 3.25Å; V205-A248 HydrophobicContact CG2-CB 4.11Å |
| 206 | T | 97.6 | Very high | 95.6 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148.2 | 179.4 | 50.6 | 0 | 0 | 0 | 0 | 109.5 | H208 E215 C246 K247 | T206-H208 WeakPolarHBondContact CB-NE2 3.4Å; T206-H208 PolarHBondContact OG1-NE2 2.97Å; T206-E215 VanDerWaalsContact CG2-OE1 3.29Å; T206-E215 WeakPolarHBondContact CG2-OE1 3.32Å; T206-C246 CarbonylContact O-C 3.43Å; T206-C246 WeakPolarHBondContact O-CA 3.27Å; T206-K247 PolarHBondContact N-O 2.89Å; T206-K247 PolarHBondContact O-N 2.8Å; T206-K247 PolarHBondContact OG1-O 2.73Å |
| 207 | L | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.9 | 179.8 | -176.3 | 61.4 | 0 | 0 | 0 | 109.5 | V194 I216 I223 F231 Y233 V244 | V194-L207 HydrophobicContact CG1-CD1 4.43Å; L207-I216 HydrophobicContact CB-CB 4.34Å; L207-I216 HydrophobicContact CD2-CB 4.22Å; L207-I216 HydrophobicContact CD2-CD1 4Å; L207-I216 HydrophobicContact CD2-CG2 4.42Å; L207-I216 HydrophobicContact CG-CB 4.2Å; L207-I216 HydrophobicContact CG-CD1 3.98Å; L207-I216 HydrophobicContact CG-CG1 4.32Å; L207-I216 PolarHBondContact O-N 2.86Å; L207-I223 HydrophobicContact CD2-CD1 4.16Å; L207-F231 HydrophobicContact CB-CD1 4.23Å; L207-F231 HydrophobicContact CB-CD2 3.86Å; L207-F231 HydrophobicContact CB-CE1 4.1Å; L207-F231 HydrophobicContact CB-CE2 3.69Å; L207-F231 HydrophobicContact CB-CG 4.13Å; L207-F231 HydrophobicContact CB-CZ 3.83Å; L207-F231 HydrophobicContact CD1-CD2 3.8Å; L207-F231 HydrophobicContact CD1-CE2 4.22Å; L207-F231 HydrophobicContact CD1-CG 4.37Å; L207-F231 HydrophobicContact CD2-CB 4.17Å; L207-F231 HydrophobicContact CD2-CD1 4.46Å; L207-F231 HydrophobicContact CD2-CD2 4.3Å; L207-F231 HydrophobicContact CD2-CG 4.05Å; L207-F231 HydrophobicContact CG-CD2 4.19Å; L207-F231 HydrophobicContact CG-CE2 4.46Å; L207-F231 HydrophobicContact CG-CG 4.41Å; L207-Y233 HydrophobicContact CD2-CE2 4.36Å; L207-V244 HydrophobicContact CD1-CB 4.11Å; L207-V244 HydrophobicContact CD1-CG2 3.99Å |
| 208 | H | 97.8 | Very high | 95.1 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 11% | 0.106 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.3 | -176.5 | -66.7 | -94.3 | 0 | 0 | 0 | 110.6 | T206 K214 E215 V244 Y245 | T206-H208 WeakPolarHBondContact CB-NE2 3.4Å; T206-H208 PolarHBondContact OG1-NE2 2.97Å; H208-K214 WeakPolarHBondContact CA-O 3.28Å; H208-E215 IonicContact CE1-OE2 2.76Å; H208-E215 PolarHBondContact CE1-OE2 3.05Å; H208-E215 IonicContact NE2-OE2 3.34Å; H208-V244 CarbonylContact O-C 3.59Å; H208-V244 WeakPolarHBondContact O-CA 3.41Å; H208-V244 WeakPolarHBondContact O-CB 3.38Å; H208-Y245 HydrophobicContact CB-CD1 4.41Å; H208-Y245 HydrophobicContact CB-CD2 4.08Å; H208-Y245 HydrophobicContact CB-CE1 3.93Å; H208-Y245 HydrophobicContact CB-CE2 3.55Å; H208-Y245 HydrophobicContact CB-CG 4.47Å; H208-Y245 VanDerWaalsContact CB-CZ 3.45Å; H208-Y245 AromaticContact CG-CE2 3.99Å; H208-Y245 PolarHBondContact N-O 2.92Å; H208-Y245 PolarHBondContact O-N 2.96Å |
| 209 | R | 96.6 | Very high | 94.4 | Very high | 77 Ų | 77 | 66.8 Ų | 66.8 | 29% | 0.291 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 138.3 | 169.8 | -177.5 | 170.1 | 172.1 | 138.4 | 2.7 | 109 | F211 A213 K214 I216 D239 Q241 | R209-F211 PolarHBondContact NE-O 2.68Å; R209-F211 PolarHBondContact NH2-O 3.31Å; R209-A213 VanDerWaalsContact O-CA 3.32Å; R209-A213 WeakPolarHBondContact O-CA 3.41Å; R209-K214 PolarHBondContact N-O 3.29Å; R209-K214 PolarHBondContact O-N 2.98Å; R209-K214 VanDerWaalsContact O-N 3.13Å; R209-I216 HydrophobicContact CB-CD1 4.09Å; R209-I216 HydrophobicContact CB-CG1 4.15Å; R209-D239 PolarHBondContact NH1-O 2.84Å; R209-D239 VanDerWaalsContact NH1-O 3.09Å; R209-Q241 PolarHBondContact NH1-O 2.63Å; R209-Q241 VanDerWaalsContact NH1-O 3.14Å; R209-Q241 PolarHBondContact NH2-O 3.49Å |
| 210 | E | 95.4 | Very high | 93.8 | Very high | 44 Ų | 44 | 68.7 Ų | 68.7 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -46.4 | 179.7 | -173.2 | 86.2 | -176.9 | 0 | 0 | 111.9 | P212 A213 V243 Y245 K259 | E210-P212 CarbonylContact O-C 3.58Å; E210-A213 WeakPolarHBondContact O-CA 3.38Å; E210-A213 PolarHBondContact O-N 2.8Å; E210-A213 VanDerWaalsContact O-N 3.13Å; E210-V243 HydrophobicContact CB-CB 3.92Å; E210-V243 HydrophobicContact CB-CG1 4Å; E210-V243 WeakPolarHBondContact CB-O 3.38Å; E210-V243 HydrophobicContact CG-CG1 4.48Å; E210-V243 PolarHBondContact N-O 2.84Å; E210-Y245 WeakPolarHBondContact OE2-CE1 3.43Å; E210-K259 IonicContact OE1-NZ 3.16Å; E210-K259 PolarHBondContact OE1-NZ 2.87Å; E210-K259 WeakPolarHBondContact OE2-CE 3.37Å; E210-K259 IonicContact OE2-NZ 3.12Å; E210-K259 PolarHBondContact OE2-NZ 2.73Å |
| 211 | F | 92.1 | Very high | 93.3 | Very high | 151 Ų | 151 | 73.1 Ų | 73.1 | 66% | 0.662 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.9 | 112.2 | -172.1 | -61.7 | -60.5 | 0 | 0 | 0 | 112.5 | R209 | R209-F211 PolarHBondContact NE-O 2.68Å; R209-F211 PolarHBondContact NH2-O 3.31Å |
| 212 | P | 92.8 | Very high | 93.2 | Very high | 98 Ų | 98 | 71.9 Ų | 71.9 | 64% | 0.636 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -64.5 | 152.5 | -15.2 | 30.7 | -35.8 | 0 | 0 | 0 | 111.4 | E210 K214 | E210-P212 CarbonylContact O-C 3.58Å; P212-K214 PolarHBondContact O-N 2.82Å; P212-K214 VanDerWaalsContact O-N 3.15Å |
| 213 | A | 94.9 | Very high | 93.3 | Very high | 86 Ų | 86 | 67.3 Ų | 67.3 | 71% | 0.711 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 110.9 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | R209 E210 | R209-A213 VanDerWaalsContact O-CA 3.32Å; R209-A213 WeakPolarHBondContact O-CA 3.41Å; E210-A213 WeakPolarHBondContact O-CA 3.38Å; E210-A213 PolarHBondContact O-N 2.8Å; E210-A213 VanDerWaalsContact O-N 3.13Å |
| 214 | K | 95.5 | Very high | 93.4 | Very high | 141 Ų | 141 | 69.2 Ų | 69.2 | 61% | 0.613 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 140.4 | -175.9 | -165.6 | -168.5 | 169.2 | -175 | 0 | 112.3 | H208 R209 P212 | H208-K214 WeakPolarHBondContact CA-O 3.28Å; R209-K214 PolarHBondContact N-O 3.29Å; R209-K214 PolarHBondContact O-N 2.98Å; R209-K214 VanDerWaalsContact O-N 3.13Å; P212-K214 PolarHBondContact O-N 2.82Å; P212-K214 VanDerWaalsContact O-N 3.15Å |
| 215 | E | 96.3 | Very high | 93.4 | Very high | 104 Ų | 104 | 65.5 Ų | 65.5 | 49% | 0.486 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 131.1 | 166.1 | -165.9 | 166.1 | 146.5 | 0 | 0 | 110.4 | T206 H208 | T206-E215 VanDerWaalsContact CG2-OE1 3.29Å; T206-E215 WeakPolarHBondContact CG2-OE1 3.32Å; H208-E215 IonicContact CE1-OE2 2.76Å; H208-E215 PolarHBondContact CE1-OE2 3.05Å; H208-E215 IonicContact NE2-OE2 3.34Å |
| 216 | I | 95.1 | Very high | 93.3 | Very high | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.159 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 121.9 | 177.6 | -52.2 | -173.1 | 0 | 0 | 0 | 108 | L207 R209 V218 I223 V244 | L207-I216 HydrophobicContact CB-CB 4.34Å; L207-I216 HydrophobicContact CD2-CB 4.22Å; L207-I216 HydrophobicContact CD2-CD1 4Å; L207-I216 HydrophobicContact CD2-CG2 4.42Å; L207-I216 HydrophobicContact CG-CB 4.2Å; L207-I216 HydrophobicContact CG-CD1 3.98Å; L207-I216 HydrophobicContact CG-CG1 4.32Å; L207-I216 PolarHBondContact O-N 2.86Å; R209-I216 HydrophobicContact CB-CD1 4.09Å; R209-I216 HydrophobicContact CB-CG1 4.15Å; I216-V218 PolarHBondContact O-N 3.14Å; I216-I223 HydrophobicContact CG2-CD1 3.56Å; I216-V244 HydrophobicContact CD1-CG1 3.91Å |
| 217 | P | 92 | Very high | 93.2 | Very high | 72 Ų | 72 | 69.3 Ų | 69.3 | 47% | 0.468 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -72 | 122.5 | -174.8 | 29 | -34.7 | 0 | 0 | 0 | 111.7 | N219 | P217-N219 PolarHBondContact O-N 2.82Š|
| 218 | V | 91.1 | Very high | 93 | Very high | 60 Ų | 60 | 72.3 Ų | 72.3 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | trans | -93 | 77.7 | -176.4 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | I216 G220 I223 F231 | I216-V218 PolarHBondContact O-N 3.14Å; V218-G220 VanDerWaalsContact C-N 3.27Å; V218-G220 PolarHBondContact O-N 3.05Å; V218-I223 HydrophobicContact CG1-CG2 4.34Å; V218-I223 WeakPolarHBondContact CG1-O 3.34Å; V218-F231 HydrophobicContact CG1-CD1 4.32Å; V218-F231 HydrophobicContact CG1-CE1 4.18Å; V218-F231 HydrophobicContact CG2-CD1 4.09Å; V218-F231 HydrophobicContact CG2-CE1 3.62Å | ||
| 219 | N | 81.9 | Confident | 93 | Very high | 120 Ų | 120 | 75.7 Ų | 75.7 | 64% | 0.642 | 40% | 0.401 | S | S | * | . | trans | -77.8 | -5.3 | -171 | -65.8 | -26.7 | 0 | 0 | 0 | 114.5 | P217 T221 | P217-N219 PolarHBondContact O-N 2.82Å; N219-T221 PolarHBondContact O-N 3.31Å | ||
| 220 | G | 83.4 | Confident | 93 | Very high | 40 Ų | 40 | 72 Ų | 72 | 41% | 0.412 | 39% | 0.387 | S | S | . | . | S | Bend | trans | 78.9 | -13.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.6 | V218 I223 I224 | V218-G220 VanDerWaalsContact C-N 3.27Å; V218-G220 PolarHBondContact O-N 3.05Å; G220-I223 WeakPolarHBondContact CA-O 3.46Å; G220-I223 PolarHBondContact N-O 2.71Å; G220-I224 VanDerWaalsContact O-CG2 3.31Å; G220-I224 WeakPolarHBondContact O-CG2 3.45Å |
| 221 | T | 85 | Confident | 93.1 | Very high | 116 Ų | 116 | 70 Ų | 70 | 71% | 0.712 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -95.1 | -34.5 | 178.2 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | N219 | N219-T221 PolarHBondContact O-N 3.31Š|
| 222 | D | 90.7 | Very high | 93.4 | Very high | 49 Ų | 49 | 62.8 Ų | 62.8 | 26% | 0.262 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -109.6 | -57.3 | 179.5 | 161.9 | 40.7 | 0 | 0 | 0 | 110.1 | L234 H240 | D222-L234 VanDerWaalsContact O-CB 3.29Å; D222-L234 WeakPolarHBondContact O-CB 3.39Å; D222-L234 WeakPolarHBondContact O-CG 3.38Å; D222-L234 PolarHBondContact O-N 3.35Å; D222-H240 IonicContact OD1-CE1 3.47Å; D222-H240 PolarHBondContact OD1-CE1 3.04Å; D222-H240 IonicContact OD2-CE1 2.69Å; D222-H240 PolarHBondContact OD2-CE1 2.91Å; D222-H240 IonicContact OD2-NE2 2.71Å |
| 223 | I | 95.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 129.5 | 173 | -48.4 | 176.8 | 0 | 0 | 0 | 109.8 | L207 I216 V218 G220 F231 V232 Y233 | L207-I223 HydrophobicContact CD2-CD1 4.16Å; I216-I223 HydrophobicContact CG2-CD1 3.56Å; V218-I223 HydrophobicContact CG1-CG2 4.34Å; V218-I223 WeakPolarHBondContact CG1-O 3.34Å; G220-I223 WeakPolarHBondContact CA-O 3.46Å; G220-I223 PolarHBondContact N-O 2.71Å; I223-F231 HydrophobicContact CG2-CB 4.07Å; I223-F231 HydrophobicContact CG2-CD1 3.98Å; I223-F231 HydrophobicContact CG2-CG 4.44Å; I223-V232 WeakPolarHBondContact CA-O 3.21Å; I223-Y233 HydrophobicContact CD1-CD1 3.93Å; I223-Y233 HydrophobicContact CD1-CE1 3.36Å; I223-Y233 HydrophobicContact CG1-CD1 3.7Å; I223-Y233 HydrophobicContact CG1-CE1 3.69Å; I223-Y233 HydrophobicContact CG1-CG 4.35Å |
| 224 | I | 96.4 | Very high | 93.5 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 29% | 0.287 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 157.9 | 165.9 | 62.3 | 169.9 | 0 | 0 | 0 | 110.5 | G220 F231 V232 L234 | G220-I224 VanDerWaalsContact O-CG2 3.31Å; G220-I224 WeakPolarHBondContact O-CG2 3.45Å; I224-F231 WeakPolarHBondContact O-CA 3.49Å; I224-V232 HydrophobicContact CD1-CB 4.29Å; I224-V232 HydrophobicContact CG1-CB 3.77Å; I224-V232 HydrophobicContact CG1-CG2 4.39Å; I224-V232 PolarHBondContact N-O 2.62Å; I224-V232 PolarHBondContact O-N 2.89Å; I224-L234 HydrophobicContact CD1-CD2 3.98Å; I224-L234 HydrophobicContact CG1-CD2 4.13Å; I224-L234 HydrophobicContact CG1-CG 4.42Å; I224-L234 HydrophobicContact CG2-CD1 3.91Å; I224-L234 HydrophobicContact CG2-CG 4.46Å |
| 225 | Y | 96.4 | Very high | 93.3 | Very high | 68 Ų | 68 | 55.9 Ų | 55.9 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.1 | 169 | -176.9 | -109.4 | 0 | 0 | 0 | 110.8 | V198 V205 M227 F231 | V198-Y225 WeakPolarHBondContact CG1-OH 3.22Å; V205-Y225 HydrophobicContact CB-CE1 4.07Å; V205-Y225 HydrophobicContact CB-CE2 4.03Å; V205-Y225 HydrophobicContact CG1-CE2 3.98Å; V205-Y225 HydrophobicContact CG2-CE1 4.04Å; V205-Y225 HydrophobicContact CG2-CE2 4.4Å; V205-Y225 WeakPolarHBondContact CG2-OH 3.42Å; Y225-M227 HydrophobicContact CE1-CB 4.36Å; Y225-F231 AromaticContact CD2-CD1 3.67Å; Y225-F231 HydrophobicContact CD2-CD1 3.67Å; Y225-F231 AromaticContact CD2-CD2 3.98Å; Y225-F231 HydrophobicContact CD2-CD2 3.98Å; Y225-F231 AromaticContact CD2-CE1 3.48Å; Y225-F231 HydrophobicContact CD2-CE1 3.48Å; Y225-F231 VanDerWaalsContact CD2-CE1 3.48Å; Y225-F231 AromaticContact CD2-CE2 3.84Å; Y225-F231 HydrophobicContact CD2-CE2 3.84Å; Y225-F231 AromaticContact CD2-CG 3.91Å; Y225-F231 HydrophobicContact CD2-CG 3.91Å; Y225-F231 AromaticContact CD2-CZ 3.57Å; Y225-F231 HydrophobicContact CD2-CZ 3.57Å; Y225-F231 HydrophobicContact CE2-CD2 4.37Å; Y225-F231 HydrophobicContact CE2-CE1 4.49Å; Y225-F231 HydrophobicContact CE2-CE2 4.13Å; Y225-F231 HydrophobicContact CE2-CZ 4.18Å; Y225-F231 HydrophobicContact CG-CD1 4.2Å; Y225-F231 AromaticContact CG-CE1 3.82Å; Y225-F231 HydrophobicContact CG-CE1 3.82Å; Y225-F231 HydrophobicContact CG-CZ 4.17Å |
| 226 | D | 95.6 | Very high | 93.2 | Very high | 51 Ų | 51 | 51 Ų | 51 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 116.5 | 172.9 | 173.5 | -2.1 | 0 | 0 | 0 | 108.8 | K228 R229 G230 | D226-K228 PolarHBondContact O-N 3.08Å; D226-K228 WeakPolarHBondContact OD1-CB 2.98Å; D226-K228 PolarHBondContact OD1-N 3.35Å; D226-R229 HydrophobicContact CB-CB 4.14Å; D226-R229 PolarHBondContact O-N 2.88Å; D226-R229 WeakPolarHBondContact OD2-CD 3.49Å; D226-R229 WeakPolarHBondContact OD2-CG 3.01Å; D226-G230 PolarHBondContact N-O 3.34Å; D226-G230 PolarHBondContact O-N 2.76Å |
| 227 | M | 94.6 | Very high | 92.9 | Very high | 67 Ų | 67 | 53.1 Ų | 53.1 | 33% | 0.33 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -24.5 | 178.7 | 59 | 175.5 | 62.1 | 0 | 0 | 114.6 | F166 V198 L201 Y225 | F166-M227 HydrophobicContact CE1-CB 4.49Å; F166-M227 HydrophobicContact CE2-SD 4.2Å; F166-M227 HydrophobicContact CZ-CB 4.22Å; F166-M227 HydrophobicContact CZ-CG 3.93Å; F166-M227 HydrophobicContact CZ-SD 3.72Å; V198-M227 HydrophobicContact CG2-CB 3.91Å; L201-M227 HydrophobicContact CD2-CE 4.25Å; L201-M227 HydrophobicContact CD2-SD 3.6Å; Y225-M227 HydrophobicContact CE1-CB 4.36Å |
| 228 | K | 94.8 | Very high | 92.9 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 27% | 0.274 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -16.1 | 179.3 | -59.4 | -173.3 | 174.3 | -170.8 | 0 | 113.7 | T83 Y164 F166 R197 D226 | T83-K228 WeakPolarHBondContact OG1-CE 3.15Å; T83-K228 PolarHBondContact OG1-NZ 3.47Å; Y164-K228 VanDerWaalsContact CB-CE 3.42Å; Y164-K228 VanDerWaalsContact CB-NZ 3.27Å; Y164-K228 HydrophobicContact CD1-CD 4.5Å; Y164-K228 HydrophobicContact CD1-CG 4.25Å; Y164-K228 HydrophobicContact CD2-CB 4.05Å; Y164-K228 HydrophobicContact CD2-CD 3.5Å; Y164-K228 VanDerWaalsContact CD2-CD 3.5Å; Y164-K228 HydrophobicContact CD2-CG 3.66Å; Y164-K228 HydrophobicContact CE1-CG 4.24Å; Y164-K228 HydrophobicContact CE2-CB 3.61Å; Y164-K228 HydrophobicContact CE2-CD 4Å; Y164-K228 HydrophobicContact CE2-CG 3.64Å; Y164-K228 HydrophobicContact CG-CD 3.78Å; Y164-K228 HydrophobicContact CG-CG 3.97Å; F166-K228 HydrophobicContact CZ-CG 4.46Å; R197-K228 WeakPolarHBondContact CD-O 3.32Å; D226-K228 PolarHBondContact O-N 3.08Å; D226-K228 WeakPolarHBondContact OD1-CB 2.98Å; D226-K228 PolarHBondContact OD1-N 3.35Å |
| 229 | R | 95.9 | Very high | 92.9 | Very high | 95 Ų | 95 | 54.4 Ų | 54.4 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | -36.2 | -176.1 | -66.5 | 174.2 | 68.7 | -165.6 | -0.3 | 113.9 | Q191 V193 P195 D226 V232 | Q191-R229 VanDerWaalsContact OE1-NH2 3.16Å; V193-R229 HydrophobicContact CG1-CB 4.19Å; V193-R229 VanDerWaalsContact CG1-O 3.27Å; V193-R229 WeakPolarHBondContact CG1-O 3.33Å; P195-R229 WeakPolarHBondContact CA-O 3.47Å; D226-R229 HydrophobicContact CB-CB 4.14Å; D226-R229 PolarHBondContact O-N 2.88Å; D226-R229 WeakPolarHBondContact OD2-CD 3.49Å; D226-R229 WeakPolarHBondContact OD2-CG 3.01Å; R229-V232 HydrophobicContact CB-CG2 4.28Å |
| 230 | G | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.3 | -153.3 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V194 D226 | V194-G230 VanDerWaalsContact O-CA 3.31Å; V194-G230 WeakPolarHBondContact O-CA 3.34Å; D226-G230 PolarHBondContact N-O 3.34Å; D226-G230 PolarHBondContact O-N 2.76Å |
| 231 | F | 97.9 | Very high | 93.8 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131.7 | 170.4 | -69 | -80.1 | 0 | 0 | 0 | 110.2 | V193 V194 V205 L207 V218 I223 I224 Y225 C246 | V193-F231 CarbonylContact C-O 3.53Å; V193-F231 WeakPolarHBondContact CA-O 3.47Å; V194-F231 HydrophobicContact CB-CB 4.34Å; V194-F231 PolarHBondContact N-O 3.29Å; V194-F231 PolarHBondContact O-N 3.34Å; V194-F231 VanDerWaalsContact O-N 3.13Å; V205-F231 HydrophobicContact CB-CZ 4.38Å; V205-F231 HydrophobicContact CG1-CE2 3.77Å; V205-F231 HydrophobicContact CG1-CZ 3.89Å; L207-F231 HydrophobicContact CB-CD1 4.23Å; L207-F231 HydrophobicContact CB-CD2 3.86Å; L207-F231 HydrophobicContact CB-CE1 4.1Å; L207-F231 HydrophobicContact CB-CE2 3.69Å; L207-F231 HydrophobicContact CB-CG 4.13Å; L207-F231 HydrophobicContact CB-CZ 3.83Å; L207-F231 HydrophobicContact CD1-CD2 3.8Å; L207-F231 HydrophobicContact CD1-CE2 4.22Å; L207-F231 HydrophobicContact CD1-CG 4.37Å; L207-F231 HydrophobicContact CD2-CB 4.17Å; L207-F231 HydrophobicContact CD2-CD1 4.46Å; L207-F231 HydrophobicContact CD2-CD2 4.3Å; L207-F231 HydrophobicContact CD2-CG 4.05Å; L207-F231 HydrophobicContact CG-CD2 4.19Å; L207-F231 HydrophobicContact CG-CE2 4.46Å; L207-F231 HydrophobicContact CG-CG 4.41Å; V218-F231 HydrophobicContact CG1-CD1 4.32Å; V218-F231 HydrophobicContact CG1-CE1 4.18Å; V218-F231 HydrophobicContact CG2-CD1 4.09Å; V218-F231 HydrophobicContact CG2-CE1 3.62Å; I223-F231 HydrophobicContact CG2-CB 4.07Å; I223-F231 HydrophobicContact CG2-CD1 3.98Å; I223-F231 HydrophobicContact CG2-CG 4.44Å; I224-F231 WeakPolarHBondContact O-CA 3.49Å; Y225-F231 AromaticContact CD2-CD1 3.67Å; Y225-F231 HydrophobicContact CD2-CD1 3.67Å; Y225-F231 AromaticContact CD2-CD2 3.98Å; Y225-F231 HydrophobicContact CD2-CD2 3.98Å; Y225-F231 AromaticContact CD2-CE1 3.48Å; Y225-F231 HydrophobicContact CD2-CE1 3.48Å; Y225-F231 VanDerWaalsContact CD2-CE1 3.48Å; Y225-F231 AromaticContact CD2-CE2 3.84Å; Y225-F231 HydrophobicContact CD2-CE2 3.84Å; Y225-F231 AromaticContact CD2-CG 3.91Å; Y225-F231 HydrophobicContact CD2-CG 3.91Å; Y225-F231 AromaticContact CD2-CZ 3.57Å; Y225-F231 HydrophobicContact CD2-CZ 3.57Å; Y225-F231 HydrophobicContact CE2-CD2 4.37Å; Y225-F231 HydrophobicContact CE2-CE1 4.49Å; Y225-F231 HydrophobicContact CE2-CE2 4.13Å; Y225-F231 HydrophobicContact CE2-CZ 4.18Å; Y225-F231 HydrophobicContact CG-CD1 4.2Å; Y225-F231 AromaticContact CG-CE1 3.82Å; Y225-F231 HydrophobicContact CG-CE1 3.82Å; Y225-F231 HydrophobicContact CG-CZ 4.17Å; F231-C246 VanDerWaalsContact CD2-SG 3.57Å; F231-C246 HydrophobicContact CE2-CB 4.14Å |
| 232 | V | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.3 | 178.7 | -173 | 0 | 0 | 0 | 0 | 108.4 | Q191 A192 V193 I223 I224 R229 L234 | Q191-V232 HydrophobicContact CB-CG1 3.99Å; Q191-V232 HydrophobicContact CG-CG1 4.32Å; A192-V232 CarbonylContact O-C 3.55Å; A192-V232 WeakPolarHBondContact O-CA 3.1Å; V193-V232 HydrophobicContact CG1-CG2 4.38Å; V193-V232 HydrophobicContact CG2-CG1 4.31Å; V193-V232 HydrophobicContact CG2-CG2 4.21Å; I223-V232 WeakPolarHBondContact CA-O 3.21Å; I224-V232 HydrophobicContact CD1-CB 4.29Å; I224-V232 HydrophobicContact CG1-CB 3.77Å; I224-V232 HydrophobicContact CG1-CG2 4.39Å; I224-V232 PolarHBondContact N-O 2.62Å; I224-V232 PolarHBondContact O-N 2.89Å; R229-V232 HydrophobicContact CB-CG2 4.28Å; V232-L234 HydrophobicContact CG1-CD2 4.35Å |
| 233 | Y | 96.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 116.3 | 166.9 | -73 | -94.8 | 0 | 0 | 0 | 107.9 | Q191 A192 V194 L207 I223 H240 L262 | Q191-Y233 VanDerWaalsContact CA-O 3.31Å; Q191-Y233 WeakPolarHBondContact CA-O 3.32Å; A192-Y233 PolarHBondContact N-O 3.34Å; A192-Y233 VanDerWaalsContact N-O 3.15Å; A192-Y233 PolarHBondContact O-N 2.71Å; V194-Y233 HydrophobicContact CG2-CD2 4.36Å; V194-Y233 HydrophobicContact CG2-CE2 3.84Å; L207-Y233 HydrophobicContact CD2-CE2 4.36Å; I223-Y233 HydrophobicContact CD1-CD1 3.93Å; I223-Y233 HydrophobicContact CD1-CE1 3.36Å; I223-Y233 HydrophobicContact CG1-CD1 3.7Å; I223-Y233 HydrophobicContact CG1-CE1 3.69Å; I223-Y233 HydrophobicContact CG1-CG 4.35Å; Y233-H240 AromaticContact CD1-CE1 3.8Å; Y233-H240 AromaticContact CD1-ND1 3.28Å; Y233-H240 VanDerWaalsContact CD1-ND1 3.28Å; Y233-H240 WeakPolarHBondContact CD1-ND1 3.43Å; Y233-H240 HydrophobicContact CE1-CB 3.96Å; Y233-H240 AromaticContact CE1-CE1 3.87Å; Y233-H240 AromaticContact CE1-CG 3.65Å; Y233-H240 AromaticContact CE1-ND1 3.34Å; Y233-H240 VanDerWaalsContact CE1-ND1 3.34Å; Y233-H240 WeakPolarHBondContact CE1-ND1 3.48Å; Y233-L262 HydrophobicContact CE2-CD2 3.87Å |
| 234 | L | 94.3 | Very high | 94.6 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 29% | 0.293 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -75.9 | -39.2 | -175.7 | -65.2 | 178.8 | 0 | 0 | 0 | 111.9 | D222 I224 V232 | D222-L234 VanDerWaalsContact O-CB 3.29Å; D222-L234 WeakPolarHBondContact O-CB 3.39Å; D222-L234 WeakPolarHBondContact O-CG 3.38Å; D222-L234 PolarHBondContact O-N 3.35Å; I224-L234 HydrophobicContact CD1-CD2 3.98Å; I224-L234 HydrophobicContact CG1-CD2 4.13Å; I224-L234 HydrophobicContact CG1-CG 4.42Å; I224-L234 HydrophobicContact CG2-CD1 3.91Å; I224-L234 HydrophobicContact CG2-CG 4.46Å; V232-L234 HydrophobicContact CG1-CD2 4.35Å |
| 235 | Q | 91.9 | Very high | 94.7 | Very high | 121 Ų | 121 | 44 Ų | 44 | 57% | 0.565 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -134.8 | 91.2 | 174.3 | -172.2 | 172.2 | 0.4 | 0 | 0 | 109.5 | H237 | Q235-H237 PolarHBondContact O-CD2 3.23Š|
| 236 | P | 92.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | trans | -66.2 | 139.9 | -176.6 | -21 | 32.9 | 0 | 0 | 0 | 113.6 | L186 N187 R190 A192 | L186-P236 HydrophobicContact CB-CB 3.76Å; L186-P236 HydrophobicContact CD2-CB 4.21Å; L186-P236 HydrophobicContact CG-CB 4.44Å; N187-P236 WeakPolarHBondContact O-CD 3.39Å; N187-P236 WeakPolarHBondContact O-CG 3.43Å; R190-P236 WeakPolarHBondContact O-CD 3.4Å; R190-P236 WeakPolarHBondContact O-CG 3.37Å; A192-P236 HydrophobicContact CB-CG 3.81Å | ||
| 237 | H | 90.8 | Very high | 94.8 | Very high | 77 Ų | 77 | 42.2 Ų | 42.2 | 36% | 0.356 | 21% | 0.208 | S | C | . | . | trans | -126.9 | 167.4 | 178.5 | -64.3 | -47.9 | 0 | 0 | 0 | 110.9 | Q235 D239 H240 Y264 | Q235-H237 PolarHBondContact O-CD2 3.23Å; H237-D239 VanDerWaalsContact CB-OD1 3.22Å; H237-D239 WeakPolarHBondContact CB-OD1 3.46Å; H237-H240 WeakPolarHBondContact O-CB 3.24Å; H237-H240 PolarHBondContact O-N 3.4Å; H237-Y264 VanDerWaalsContact C-CD2 3.48Å; H237-Y264 WeakPolarHBondContact O-CD2 3.36Å | ||
| 238 | S | 91 | Very high | 95 | Very high | 51 Ų | 51 | 39 Ų | 39 | 36% | 0.357 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -78.7 | -21.3 | -174.8 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | H240 Q241 | S238-H240 VanDerWaalsContact C-N 3.27Å; S238-H240 PolarHBondContact O-N 3.41Å; S238-Q241 WeakPolarHBondContact O-CB 3.33Å; S238-Q241 VanDerWaalsContact O-CG 3.25Å; S238-Q241 WeakPolarHBondContact O-CG 3.44Å; S238-Q241 PolarHBondContact O-N 3.48Å; S238-Q241 PolarHBondContact O-OE1 3.28Å |
| 239 | D | 90.7 | Very high | 95.1 | Very high | 107 Ų | 107 | 40.9 Ų | 40.9 | 57% | 0.572 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.7 | 173 | 66.7 | -35.2 | 0 | 0 | 0 | 113.1 | R209 H237 Q241 | R209-D239 PolarHBondContact NH1-O 2.84Å; R209-D239 VanDerWaalsContact NH1-O 3.09Å; H237-D239 VanDerWaalsContact CB-OD1 3.22Å; H237-D239 WeakPolarHBondContact CB-OD1 3.46Å; D239-Q241 PolarHBondContact O-N 2.79Å |
| 240 | H | 92.6 | Very high | 95 | Very high | 31 Ų | 31 | 37 Ų | 37 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -5.6 | 171 | -61.5 | 173 | 0 | 0 | 0 | 113.7 | L186 D222 Y233 H237 S238 L262 | L186-H240 HydrophobicContact CD1-CB 3.61Å; D222-H240 IonicContact OD1-CE1 3.47Å; D222-H240 PolarHBondContact OD1-CE1 3.04Å; D222-H240 IonicContact OD2-CE1 2.69Å; D222-H240 PolarHBondContact OD2-CE1 2.91Å; D222-H240 IonicContact OD2-NE2 2.71Å; Y233-H240 AromaticContact CD1-CE1 3.8Å; Y233-H240 AromaticContact CD1-ND1 3.28Å; Y233-H240 VanDerWaalsContact CD1-ND1 3.28Å; Y233-H240 WeakPolarHBondContact CD1-ND1 3.43Å; Y233-H240 HydrophobicContact CE1-CB 3.96Å; Y233-H240 AromaticContact CE1-CE1 3.87Å; Y233-H240 AromaticContact CE1-CG 3.65Å; Y233-H240 AromaticContact CE1-ND1 3.34Å; Y233-H240 VanDerWaalsContact CE1-ND1 3.34Å; Y233-H240 WeakPolarHBondContact CE1-ND1 3.48Å; H237-H240 WeakPolarHBondContact O-CB 3.24Å; H237-H240 PolarHBondContact O-N 3.4Å; S238-H240 VanDerWaalsContact C-N 3.27Å; S238-H240 PolarHBondContact O-N 3.41Å; H240-L262 WeakPolarHBondContact O-CD2 3.49Å |
| 241 | Q | 92.6 | Very high | 94.6 | Very high | 30 Ų | 30 | 41.1 Ų | 41.1 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | trans | -64.6 | 148 | 174 | -70.9 | -172.1 | -99.4 | 0 | 0 | 113.4 | R209 S238 D239 Y264 G332 | R209-Q241 PolarHBondContact NH1-O 2.63Å; R209-Q241 VanDerWaalsContact NH1-O 3.14Å; R209-Q241 PolarHBondContact NH2-O 3.49Å; S238-Q241 WeakPolarHBondContact O-CB 3.33Å; S238-Q241 VanDerWaalsContact O-CG 3.25Å; S238-Q241 WeakPolarHBondContact O-CG 3.44Å; S238-Q241 PolarHBondContact O-N 3.48Å; S238-Q241 PolarHBondContact O-OE1 3.28Å; D239-Q241 PolarHBondContact O-N 2.79Å; Q241-Y264 VanDerWaalsContact NE2-N 3.16Å; Q241-G332 PolarHBondContact NE2-O 3Å | ||
| 242 | G | 93.8 | Very high | 94.1 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 137 | -170.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q261 L262 | G242-Q261 PolarHBondContact O-NE2 2.64Å; G242-L262 PolarHBondContact N-O 3.26Å; G242-L262 PolarHBondContact O-N 3.29Å |
| 243 | V | 96.8 | Very high | 93.8 | Very high | 35 Ų | 35 | 49.7 Ų | 49.7 | 21% | 0.212 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.7 | 174.1 | -179 | 0 | 0 | 0 | 0 | 109.5 | E210 K259 Y260 Q261 | E210-V243 HydrophobicContact CB-CB 3.92Å; E210-V243 HydrophobicContact CB-CG1 4Å; E210-V243 WeakPolarHBondContact CB-O 3.38Å; E210-V243 HydrophobicContact CG-CG1 4.48Å; E210-V243 PolarHBondContact N-O 2.84Å; V243-K259 HydrophobicContact CG1-CB 3.87Å; V243-K259 HydrophobicContact CG1-CD 4.09Å; V243-K259 HydrophobicContact CG1-CG 4.26Å; V243-Y260 WeakPolarHBondContact CA-O 3.44Å; V243-Q261 VanDerWaalsContact CG2-OE1 3.29Å |
| 244 | V | 97.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 159 | 174.2 | -50.9 | 0 | 0 | 0 | 0 | 111.1 | V194 L207 H208 I216 Y260 L262 | V194-V244 HydrophobicContact CG1-CG2 4.15Å; V194-V244 HydrophobicContact CG2-CG2 4.17Å; L207-V244 HydrophobicContact CD1-CB 4.11Å; L207-V244 HydrophobicContact CD1-CG2 3.99Å; H208-V244 CarbonylContact O-C 3.59Å; H208-V244 WeakPolarHBondContact O-CA 3.41Å; H208-V244 WeakPolarHBondContact O-CB 3.38Å; I216-V244 HydrophobicContact CD1-CG1 3.91Å; V244-Y260 PolarHBondContact N-O 3.31Å; V244-Y260 PolarHBondContact O-N 3.07Å; V244-L262 HydrophobicContact CG1-CD1 4.49Å; V244-L262 HydrophobicContact CG1-CD2 4.16Å; V244-L262 HydrophobicContact CG2-CD1 3.54Å; V244-L262 HydrophobicContact CG2-CD2 4.22Å |
| 245 | Y | 97.7 | Very high | 93.9 | Very high | 47 Ų | 47 | 52 Ų | 52 | 18% | 0.184 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 156.7 | 170.7 | 60.8 | -89.8 | 0 | 0 | 0 | 110.1 | H208 E210 I256 | H208-Y245 HydrophobicContact CB-CD1 4.41Å; H208-Y245 HydrophobicContact CB-CD2 4.08Å; H208-Y245 HydrophobicContact CB-CE1 3.93Å; H208-Y245 HydrophobicContact CB-CE2 3.55Å; H208-Y245 HydrophobicContact CB-CG 4.47Å; H208-Y245 VanDerWaalsContact CB-CZ 3.45Å; H208-Y245 AromaticContact CG-CE2 3.99Å; H208-Y245 PolarHBondContact N-O 2.92Å; H208-Y245 PolarHBondContact O-N 2.96Å; E210-Y245 WeakPolarHBondContact OE2-CE1 3.43Å; Y245-I256 HydrophobicContact CD2-CB 4.22Å; Y245-I256 HydrophobicContact CD2-CG2 4.04Å; Y245-I256 HydrophobicContact CE2-CG2 4.04Å |
| 246 | C | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 140.6 | 175.9 | -52.7 | 0 | 0 | 0 | 0 | 109.5 | F174 C196 V205 T206 F231 I256 S257 | F174-C246 HydrophobicContact CE1-CB 3.82Å; F174-C246 HydrophobicContact CZ-CB 3.57Å; F174-C246 WeakPolarHBondContact CZ-O 3.36Å; C196-C246 HydrophobicContact CB-CB 3.48Å; C196-C246 VanDerWaalsContact CB-CB 3.48Å; C196-C246 WeakPolarHBondContact CB-SG 3.37Å; C196-C246 WeakPolarHBondContact SG-CB 3.42Å; C196-C246 CovalentContact SG-SG 2.02Å; C196-C246 PolarHBondContact SG-SG 3.48Å; V205-C246 HydrophobicContact CG1-CB 4.16Å; T206-C246 CarbonylContact O-C 3.43Å; T206-C246 WeakPolarHBondContact O-CA 3.27Å; F231-C246 VanDerWaalsContact CD2-SG 3.57Å; F231-C246 HydrophobicContact CE2-CB 4.14Å; C246-I256 CarbonylContact O-C 3.57Å; C246-I256 WeakPolarHBondContact O-CA 3.38Å; C246-S257 PolarHBondContact N-OG 2.88Å; C246-S257 PolarHBondContact O-N 2.81Å; C246-S257 PolarHBondContact O-OG 2.86Å |
| 247 | K | 97.5 | Very high | 94.2 | Very high | 81 Ų | 81 | 51.6 Ų | 51.6 | 35% | 0.352 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118.6 | 172.3 | -178.8 | -171.3 | 175.3 | -169.4 | 0 | 109 | V205 T206 S254 Q255 I256 | V205-K247 CarbonylContact C-O 3.52Å; V205-K247 WeakPolarHBondContact CA-O 3.25Å; T206-K247 PolarHBondContact N-O 2.89Å; T206-K247 PolarHBondContact O-N 2.8Å; T206-K247 PolarHBondContact OG1-O 2.73Å; K247-S254 WeakPolarHBondContact CE-OG 3.38Å; K247-Q255 WeakPolarHBondContact CA-O 3.23Å; K247-I256 HydrophobicContact CB-CG2 4.35Å; K247-I256 HydrophobicContact CG-CG2 4.32Å |
| 248 | A | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 150 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L173 F174 K204 V205 S254 Q255 | L173-A248 HydrophobicContact CB-CB 3.84Å; L173-A248 HydrophobicContact CD1-CB 3.97Å; F174-A248 HydrophobicContact CD2-CB 4.33Å; F174-A248 HydrophobicContact CE1-CB 4.09Å; F174-A248 HydrophobicContact CE2-CB 3.64Å; F174-A248 HydrophobicContact CZ-CB 3.5Å; K204-A248 CarbonylContact O-C 3.36Å; K204-A248 WeakPolarHBondContact O-CA 3.27Å; V205-A248 HydrophobicContact CG2-CB 4.11Å; A248-S254 CarbonylContact O-C 3.54Å; A248-S254 WeakPolarHBondContact O-CA 3.27Å; A248-S254 WeakPolarHBondContact O-CB 3.28Å; A248-S254 PolarHBondContact O-OG 3.42Å; A248-Q255 PolarHBondContact N-O 3.23Å; A248-Q255 PolarHBondContact O-N 3.14Å |
| 249 | E | 96.4 | Very high | 94.7 | Very high | 101 Ų | 101 | 51.1 Ų | 51.1 | 47% | 0.472 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 126.5 | 172.3 | -167.9 | -176.5 | 148.4 | 0 | 0 | 110.3 | A203 K204 K253 | A203-E249 WeakPolarHBondContact CA-O 3.39Å; K204-E249 PolarHBondContact N-O 2.82Å; K204-E249 PolarHBondContact O-N 3.17Å; E249-K253 CarbonylContact C-O 3.57Å; E249-K253 VanDerWaalsContact CA-O 3.31Å; E249-K253 WeakPolarHBondContact CA-O 3.43Å; E249-K253 WeakPolarHBondContact CG-O 3.49Å |
| 250 | A | 94.8 | Very high | 95 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 139.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | L173 V200 A203 G252 K253 | L173-A250 HydrophobicContact CD1-CB 4.29Å; L173-A250 HydrophobicContact CD2-CB 3.83Å; V200-A250 HydrophobicContact CG1-CB 4.04Å; A203-A250 HydrophobicContact CB-CB 4.2Å; A250-G252 VanDerWaalsContact C-N 3.26Å; A250-G252 PolarHBondContact O-N 3.33Å; A250-G252 VanDerWaalsContact O-N 3.17Å; A250-K253 PolarHBondContact N-O 2.9Å; A250-K253 PolarHBondContact O-N 2.83Å |
| 251 | G | 88.5 | Confident | 95.2 | Very high | 87 Ų | 87 | 48.1 Ų | 48.1 | 90% | 0.897 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 31.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K253 | G251-K253 VanDerWaalsContact C-N 3.27Å; G251-K253 PolarHBondContact O-N 3.15Å |
| 252 | G | 88.1 | Confident | 95.3 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 81% | 0.814 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 7.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | A250 | A250-G252 VanDerWaalsContact C-N 3.26Å; A250-G252 PolarHBondContact O-N 3.33Å; A250-G252 VanDerWaalsContact O-N 3.17Å |
| 253 | K | 90.7 | Very high | 95.2 | Very high | 101 Ų | 101 | 47.3 Ų | 47.3 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 151.2 | 169.8 | -66.4 | -170.6 | 172.9 | -161.9 | 0 | 110.5 | K170 E249 A250 G251 | K170-K253 PolarHBondContact O-NZ 3.13Å; E249-K253 CarbonylContact C-O 3.57Å; E249-K253 VanDerWaalsContact CA-O 3.31Å; E249-K253 WeakPolarHBondContact CA-O 3.43Å; E249-K253 WeakPolarHBondContact CG-O 3.49Å; A250-K253 PolarHBondContact N-O 2.9Å; A250-K253 PolarHBondContact O-N 2.83Å; G251-K253 VanDerWaalsContact C-N 3.27Å; G251-K253 PolarHBondContact O-N 3.15Å |
| 254 | S | 95.5 | Very high | 95 | Very high | 62 Ų | 62 | 47 Ų | 47 | 43% | 0.434 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 145.6 | 167 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | K247 A248 | K247-S254 WeakPolarHBondContact CE-OG 3.38Å; A248-S254 CarbonylContact O-C 3.54Å; A248-S254 WeakPolarHBondContact O-CA 3.27Å; A248-S254 WeakPolarHBondContact O-CB 3.28Å; A248-S254 PolarHBondContact O-OG 3.42Å |
| 255 | Q | 96.2 | Very high | 94.6 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149 | 177.4 | -166 | -176.5 | 23.5 | 0 | 0 | 108.3 | E172 L173 F174 K247 A248 | E172-Q255 PolarHBondContact OE2-NE2 3.13Å; L173-Q255 HydrophobicContact CB-CB 4.24Å; L173-Q255 HydrophobicContact CD1-CB 4.13Å; L173-Q255 HydrophobicContact CG-CB 4.21Å; F174-Q255 HydrophobicContact CD2-CB 4.38Å; F174-Q255 HydrophobicContact CD2-CG 4.3Å; F174-Q255 VanDerWaalsContact N-OE1 3.11Å; K247-Q255 WeakPolarHBondContact CA-O 3.23Å; A248-Q255 PolarHBondContact N-O 3.23Å; A248-Q255 PolarHBondContact O-N 3.14Å |
| 256 | I | 95.7 | Very high | 93.6 | Very high | 99 Ų | 99 | 49.7 Ų | 49.7 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 146.3 | 165.4 | 60 | 174.5 | 0 | 0 | 0 | 109.8 | Y245 C246 K247 | Y245-I256 HydrophobicContact CD2-CB 4.22Å; Y245-I256 HydrophobicContact CD2-CG2 4.04Å; Y245-I256 HydrophobicContact CE2-CG2 4.04Å; C246-I256 CarbonylContact O-C 3.57Å; C246-I256 WeakPolarHBondContact O-CA 3.38Å; K247-I256 HydrophobicContact CB-CG2 4.35Å; K247-I256 HydrophobicContact CG-CG2 4.32Å |
| 257 | S | 96.6 | Very high | 92.6 | Very high | 15 Ų | 15 | 50.4 Ų | 50.4 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | trans | -71.9 | 175.7 | 171.7 | 67.5 | 0 | 0 | 0 | 0 | 111.4 | C246 Y260 | C246-S257 PolarHBondContact N-OG 2.88Å; C246-S257 PolarHBondContact O-N 2.81Å; C246-S257 PolarHBondContact O-OG 2.86Å; S257-Y260 WeakPolarHBondContact OG-CE2 3.5Å | ||
| 258 | V | 95.8 | Very high | 91.4 | Very high | 39 Ų | 39 | 51.3 Ų | 51.3 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | trans | -57.5 | 163.3 | 156.7 | -59.1 | 0 | 0 | 0 | 0 | 110.7 | S179 Y260 | S179-V258 WeakPolarHBondContact O-CG1 3.32Å; V258-Y260 HydrophobicContact CG2-CE1 3.91Å; V258-Y260 HydrophobicContact CG2-CE2 4.32Å; V258-Y260 WeakPolarHBondContact O-CD2 3.22Å; V258-Y260 VanDerWaalsContact O-CE2 3.28Å; V258-Y260 WeakPolarHBondContact O-CE2 3.15Å | ||
| 259 | K | 96.5 | Very high | 90.5 | Very high | 79 Ų | 79 | 53.1 Ų | 53.1 | 34% | 0.343 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 139.4 | -178.7 | -69.5 | -177.4 | -176.5 | -176.6 | 0 | 111 | F181 D182 E210 V243 | F181-K259 VanDerWaalsContact CA-O 3.22Å; F181-K259 WeakPolarHBondContact CA-O 3.48Å; D182-K259 PolarHBondContact N-O 3.3Å; D182-K259 VanDerWaalsContact N-O 3.1Å; E210-K259 IonicContact OE1-NZ 3.16Å; E210-K259 PolarHBondContact OE1-NZ 2.87Å; E210-K259 WeakPolarHBondContact OE2-CE 3.37Å; E210-K259 IonicContact OE2-NZ 3.12Å; E210-K259 PolarHBondContact OE2-NZ 2.73Å; V243-K259 HydrophobicContact CG1-CB 3.87Å; V243-K259 HydrophobicContact CG1-CD 4.09Å; V243-K259 HydrophobicContact CG1-CG 4.26Å |
| 260 | Y | 97.4 | Very high | 89.9 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 4% | 0.039 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.2 | -178.1 | -57.7 | -78 | 0 | 0 | 0 | 109.9 | D182 V184 V194 P195 C196 V243 V244 S257 V258 | D182-Y260 HydrophobicContact CB-CD1 3.71Å; D182-Y260 HydrophobicContact CB-CE1 3.85Å; D182-Y260 CarbonylContact O-C 3.6Å; D182-Y260 VanDerWaalsContact O-CA 3.27Å; D182-Y260 WeakPolarHBondContact O-CA 3.32Å; V184-Y260 HydrophobicContact CG2-CD1 4.32Å; V194-Y260 HydrophobicContact CG1-CD1 4.33Å; V194-Y260 HydrophobicContact CG1-CD2 3.29Å; V194-Y260 HydrophobicContact CG1-CE2 3.7Å; V194-Y260 HydrophobicContact CG1-CG 3.65Å; P195-Y260 HydrophobicContact CG-CD1 4.29Å; P195-Y260 HydrophobicContact CG-CE1 3.65Å; C196-Y260 HydrophobicContact CB-CE2 4.01Å; V243-Y260 WeakPolarHBondContact CA-O 3.44Å; V244-Y260 PolarHBondContact N-O 3.31Å; V244-Y260 PolarHBondContact O-N 3.07Å; S257-Y260 WeakPolarHBondContact OG-CE2 3.5Å; V258-Y260 HydrophobicContact CG2-CE1 3.91Å; V258-Y260 HydrophobicContact CG2-CE2 4.32Å; V258-Y260 WeakPolarHBondContact O-CD2 3.22Å; V258-Y260 VanDerWaalsContact O-CE2 3.28Å; V258-Y260 WeakPolarHBondContact O-CE2 3.15Å |
| 261 | Q | 95.3 | Very high | 89.6 | Confident | 64 Ų | 64 | 52 Ų | 52 | 30% | 0.299 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 109.2 | 176 | 175.8 | 57.9 | 72.4 | 0 | 0 | 109.4 | D182 V184 G242 V243 L263 | D182-Q261 PolarHBondContact O-N 3.05Å; V184-Q261 PolarHBondContact N-O 3.01Å; G242-Q261 PolarHBondContact O-NE2 2.64Å; V243-Q261 VanDerWaalsContact CG2-OE1 3.29Å; Q261-L263 HydrophobicContact CG-CD2 3.97Å; Q261-L263 HydrophobicContact CG-CG 4.08Å |
| 262 | L | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 122.9 | 179.2 | -81.1 | 56.4 | 0 | 0 | 0 | 109.2 | V184 L186 V194 Y233 H240 G242 V244 | V184-L262 HydrophobicContact CB-CD1 4.03Å; V184-L262 HydrophobicContact CB-CG 4.24Å; V184-L262 HydrophobicContact CG2-CD1 4.37Å; V184-L262 WeakPolarHBondContact O-CA 3.07Å; L186-L262 HydrophobicContact CD1-CB 4.03Å; L186-L262 HydrophobicContact CD1-CD2 4.3Å; L186-L262 HydrophobicContact CD1-CG 4.41Å; L186-L262 HydrophobicContact CD2-CB 4.42Å; L186-L262 HydrophobicContact CD2-CD2 4.13Å; L186-L262 HydrophobicContact CD2-CG 4.05Å; L186-L262 HydrophobicContact CG-CB 4.15Å; L186-L262 HydrophobicContact CG-CG 4.34Å; V194-L262 HydrophobicContact CG2-CD1 4.19Å; V194-L262 HydrophobicContact CG2-CD2 4.45Å; Y233-L262 HydrophobicContact CE2-CD2 3.87Å; H240-L262 WeakPolarHBondContact O-CD2 3.49Å; G242-L262 PolarHBondContact N-O 3.26Å; G242-L262 PolarHBondContact O-N 3.29Å; V244-L262 HydrophobicContact CG1-CD1 4.49Å; V244-L262 HydrophobicContact CG1-CD2 4.16Å; V244-L262 HydrophobicContact CG2-CD1 3.54Å; V244-L262 HydrophobicContact CG2-CD2 4.22Å |
| 263 | L | 92.7 | Very high | 89.9 | Confident | 33 Ų | 33 | 47.8 Ų | 47.8 | 17% | 0.173 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.9 | -179.3 | -62.1 | 179.8 | 0 | 0 | 0 | 109.4 | V183 V184 Y185 L186 Q261 T334 | V183-L263 HydrophobicContact CG1-CD1 3.78Å; V183-L263 HydrophobicContact CG1-CG 4.27Å; V184-L263 PolarHBondContact O-N 3.39Å; Y185-L263 CarbonylContact C-O 3.6Å; Y185-L263 WeakPolarHBondContact CA-O 3.48Å; Y185-L263 HydrophobicContact CD1-CB 4.01Å; Y185-L263 HydrophobicContact CE1-CB 4.23Å; Y185-L263 HydrophobicContact CE1-CD1 3.94Å; L186-L263 PolarHBondContact N-O 3.45Å; Q261-L263 HydrophobicContact CG-CD2 3.97Å; Q261-L263 HydrophobicContact CG-CG 4.08Å; L263-T334 HydrophobicContact CD1-CG2 4.37Å |
| 264 | Y | 91.4 | Very high | 90.2 | Very high | 29 Ų | 29 | 43.7 Ų | 43.7 | 11% | 0.114 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 139.6 | -179.8 | -172.3 | -94.6 | 0 | 0 | 0 | 111.3 | L186 H237 Q241 H333 T334 | L186-Y264 HydrophobicContact CB-CD2 3.92Å; L186-Y264 CarbonylContact O-C 3.58Å; L186-Y264 WeakPolarHBondContact O-CA 3.5Å; H237-Y264 VanDerWaalsContact C-CD2 3.48Å; H237-Y264 WeakPolarHBondContact O-CD2 3.36Å; Q241-Y264 VanDerWaalsContact NE2-N 3.16Å; Y264-H333 AromaticContact CD1-CD2 3.56Å; Y264-H333 AromaticContact CD1-NE2 3.78Å; Y264-H333 CarbonylContact O-C 3.55Å; Y264-H333 VanDerWaalsContact O-CA 3.31Å; Y264-H333 WeakPolarHBondContact O-CA 3.21Å; Y264-T334 PolarHBondContact O-N 2.95Å |
| 265 | V | 89 | Confident | 90.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -120.4 | 121.7 | -174 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | Y185 L186 N187 P188 V267 P299 | Y185-V265 HydrophobicContact CD1-CG2 3.78Å; Y185-V265 HydrophobicContact CG-CG2 4.24Å; L186-V265 PolarHBondContact O-N 3.33Å; N187-V265 WeakPolarHBondContact OD1-CB 3.11Å; P188-V265 VanDerWaalsContact CD-O 3.27Å; P188-V265 WeakPolarHBondContact CD-O 3.32Å; V265-V267 HydrophobicContact CG1-CG2 3.44Å; V265-V267 VanDerWaalsContact CG1-CG2 3.44Å; V265-P299 HydrophobicContact CG2-CG 4Å | ||
| 266 | E | 77.6 | Confident | 90.3 | Very high | 106 Ų | 106 | 44.4 Ų | 44.4 | 50% | 0.495 | 25% | 0.253 | S | S | . | . | trans | -98.6 | 0.1 | -173.2 | -169.9 | 172 | -140.2 | 0 | 0 | 113.3 | H333 | E266-H333 HydrophobicContact CB-CB 4.1Å; E266-H333 IonicContact OE1-CE1 3.76Å; E266-H333 PolarHBondContact OE1-CE1 3.19Å; E266-H333 IonicContact OE1-ND1 2.66Å; E266-H333 PolarHBondContact OE1-ND1 3.27Å; E266-H333 IonicContact OE2-CE1 2.81Å; E266-H333 IonicContact OE2-CG 2.67Å; E266-H333 IonicContact OE2-ND1 2.75Å; E266-H333 PolarHBondContact OE2-ND1 3.41Å | ||
| 267 | V | 75.9 | Confident | 90.4 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 9% | 0.085 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -94 | 133.8 | 176.8 | -74.9 | 0 | 0 | 0 | 0 | 110.8 | V265 L296 E298 T335 | V265-V267 HydrophobicContact CG1-CG2 3.44Å; V265-V267 VanDerWaalsContact CG1-CG2 3.44Å; V267-L296 HydrophobicContact CG1-CB 4.46Å; V267-E298 HydrophobicContact CG2-CG 4.33Å; V267-T335 HydrophobicContact CG1-CG2 3.73Å; V267-T335 HydrophobicContact CG2-CG2 4.34Å |
| 268 | P | 72.1 | Confident | 90.5 | Very high | 101 Ų | 101 | 44.8 Ų | 44.8 | 66% | 0.656 | 26% | 0.256 | S | S | * | . | trans | -73.4 | 152 | -177.9 | 30.4 | -35.6 | 0 | 0 | 0 | 112.2 | G270 | P268-G270 VanDerWaalsContact C-N 3.26Å; P268-G270 PolarHBondContact O-N 3.23Å | ||
| 269 | S | 78.4 | Confident | 90.5 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 26% | 0.259 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -70.5 | 67.1 | 179.6 | -53.7 | 0 | 0 | 0 | 0 | 113.7 | D189 R190 E298 | D189-S269 VanDerWaalsContact CG-OG 3.27Å; D189-S269 PolarHBondContact OD1-OG 3.13Å; D189-S269 WeakPolarHBondContact OD2-CB 3.25Å; D189-S269 PolarHBondContact OD2-N 2.66Å; D189-S269 PolarHBondContact OD2-OG 3.07Å; R190-S269 PolarHBondContact NH1-OG 3.11Å; S269-E298 WeakPolarHBondContact CA-OE1 3.2Å |
| 270 | G | 85.3 | Confident | 90.5 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -140.3 | -170.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P268 N361 R363 | P268-G270 VanDerWaalsContact C-N 3.26Å; P268-G270 PolarHBondContact O-N 3.23Å; G270-N361 PolarHBondContact O-ND2 3.11Å; G270-R363 VanDerWaalsContact C-CB 3.47Å; G270-R363 WeakPolarHBondContact O-CB 3.45Å |
| 271 | P | 88.8 | Confident | 90.3 | Very high | 74 Ų | 74 | 49.4 Ų | 49.4 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -55.6 | 153.6 | 170.9 | -22.7 | 33.7 | 0 | 0 | 0 | 111.6 | S273 | P271-S273 PolarHBondContact O-N 2.93Š|
| 272 | P | 90.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.019 | 30% | 0.3 | C | S | . | . | trans | -61.2 | 136 | -171 | -22.1 | 33.8 | 0 | 0 | 0 | 112.9 | T274 V295 A359 N361 T366 | P272-T274 PolarHBondContact O-N 3.18Å; P272-T274 PolarHBondContact O-OG1 3.27Å; P272-V295 HydrophobicContact CB-CG1 3.63Å; P272-A359 HydrophobicContact CB-CB 4.05Å; P272-A359 HydrophobicContact CG-CB 4.27Å; P272-N361 HydrophobicContact CG-CB 3.96Å; P272-T366 WeakPolarHBondContact O-CB 3.4Å; P272-T366 PolarHBondContact O-OG1 2.96Å | ||
| 273 | S | 92 | Very high | 90.3 | Very high | 73 Ų | 73 | 51.3 Ų | 51.3 | 51% | 0.51 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 99.3 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | P271 V295 L296 | P271-S273 PolarHBondContact O-N 2.93Å; S273-V295 WeakPolarHBondContact O-CA 3.37Å; S273-L296 PolarHBondContact N-O 3.13Å; S273-L296 PolarHBondContact O-N 2.92Å |
| 274 | T | 95.1 | Very high | 90.4 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 10% | 0.098 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 139.5 | -165.6 | -46 | 0 | 0 | 0 | 0 | 112.6 | P272 C293 T294 V295 A359 V368 | P272-T274 PolarHBondContact O-N 3.18Å; P272-T274 PolarHBondContact O-OG1 3.27Å; T274-C293 WeakPolarHBondContact CG2-SG 3.48Å; T274-T294 CarbonylContact C-O 3.6Å; T274-T294 WeakPolarHBondContact CA-O 3.4Å; T274-V295 HydrophobicContact CG2-CG2 3.79Å; T274-A359 HydrophobicContact CG2-CB 4.21Å; T274-V368 HydrophobicContact CG2-CG1 4.25Å; T274-V368 HydrophobicContact CG2-CG2 3.61Å |
| 275 | T | 97 | Very high | 90.6 | Very high | 85 Ų | 85 | 54.8 Ų | 54.8 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 161.3 | 167.2 | 61 | 0 | 0 | 0 | 0 | 110.7 | C293 T294 | T275-C293 WeakPolarHBondContact O-CA 3.28Å; T275-T294 PolarHBondContact N-O 2.83Å; T275-T294 PolarHBondContact O-N 3.3Å |
| 276 | I | 98.2 | Very high | 90.8 | Very high | 36 Ų | 36 | 56.8 Ų | 56.8 | 19% | 0.185 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 143.5 | 178.8 | -171.4 | 166.6 | 0 | 0 | 0 | 110.2 | V291 L292 W307 Y355 C357 V368 T370 | I276-V291 HydrophobicContact CD1-CG1 3.8Å; I276-V291 HydrophobicContact CG1-CG1 3.65Å; I276-L292 CarbonylContact C-O 3.54Å; I276-L292 WeakPolarHBondContact CA-O 3.4Å; I276-W307 HydrophobicContact CD1-CH2 4.18Å; I276-W307 HydrophobicContact CD1-CZ3 3.9Å; I276-Y355 WeakPolarHBondContact CD1-O 3.43Å; I276-C357 HydrophobicContact CD1-CB 4.14Å; I276-V368 HydrophobicContact CB-CB 4.3Å; I276-V368 HydrophobicContact CB-CG2 3.69Å; I276-V368 HydrophobicContact CD1-CG2 4.44Å; I276-V368 HydrophobicContact CG2-CB 3.85Å; I276-V368 HydrophobicContact CG2-CG2 3.82Å; I276-T370 HydrophobicContact CD1-CG2 3.97Å; I276-T370 HydrophobicContact CG1-CG2 4.01Å |
| 277 | L | 98 | Very high | 91.7 | Very high | 116 Ų | 116 | 55.2 Ų | 55.2 | 61% | 0.607 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 127.1 | -179.6 | 179.2 | 63.3 | 0 | 0 | 0 | 109.9 | V291 L292 | L277-V291 CarbonylContact O-C 3.57Å; L277-V291 WeakPolarHBondContact O-CA 3.36Å; L277-L292 PolarHBondContact N-O 2.86Å; L277-L292 PolarHBondContact O-N 2.91Å |
| 278 | A | 97.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 150.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S280 I289 S290 V291 T370 V372 | A278-S280 VanDerWaalsContact CB-O 3.31Å; A278-S280 WeakPolarHBondContact CB-O 3.09Å; A278-S280 PolarHBondContact O-N 3.22Å; A278-I289 HydrophobicContact CB-CD1 4.33Å; A278-S290 CarbonylContact C-O 3.56Å; A278-S290 WeakPolarHBondContact CA-O 3.33Å; A278-V291 HydrophobicContact CB-CG2 4.04Å; A278-T370 HydrophobicContact CB-CG2 4.17Å; A278-V372 HydrophobicContact CB-CG2 3.94Å |
| 279 | S | 97 | Very high | 93.8 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 54% | 0.538 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -68.6 | -23.8 | 174.4 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | I289 S290 | S279-I289 WeakPolarHBondContact OG-CD1 3.43Å; S279-S290 WeakPolarHBondContact CB-OG 3.3Å; S279-S290 PolarHBondContact N-O 3.36Å; S279-S290 PolarHBondContact OG-N 3.3Å; S279-S290 VanDerWaalsContact OG-N 3.15Å; S279-S290 PolarHBondContact OG-O 2.82Å; S279-S290 PolarHBondContact OG-OG 2.89Å |
| 280 | S | 95.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 36% | 0.357 | 34% | 0.343 | S | S | . | . | trans | -149.2 | 153.6 | 159.4 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | A278 K282 I289 | A278-S280 VanDerWaalsContact CB-O 3.31Å; A278-S280 WeakPolarHBondContact CB-O 3.09Å; A278-S280 PolarHBondContact O-N 3.22Å; S280-K282 WeakPolarHBondContact CB-O 3.44Å; S280-K282 PolarHBondContact OG-N 2.78Å; S280-K282 VanDerWaalsContact OG-N 3.12Å; S280-K282 PolarHBondContact OG-O 3.35Å; S280-I289 WeakPolarHBondContact O-CD1 3.13Å | ||
| 281 | N | 93.7 | Very high | 95.3 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 52% | 0.519 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -90.5 | -8.9 | 169.6 | -65.7 | -3.4 | 0 | 0 | 0 | 112.4 | E373 | N281-E373 PolarHBondContact O-N 3.04Š|
| 282 | K | 94.9 | Very high | 95.8 | Very high | 98 Ų | 98 | 53.3 Ų | 53.3 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 127.2 | 174.4 | -76.7 | -171.5 | 171 | -75.7 | 0 | 110.3 | S280 E373 | S280-K282 WeakPolarHBondContact CB-O 3.44Å; S280-K282 PolarHBondContact OG-N 2.78Å; S280-K282 VanDerWaalsContact OG-N 3.12Å; S280-K282 PolarHBondContact OG-O 3.35Å; K282-E373 WeakPolarHBondContact CA-O 3.28Å; K282-E373 VanDerWaalsContact CE-OE2 3.22Å; K282-E373 WeakPolarHBondContact CE-OE2 3.31Å; K282-E373 HydrophobicContact CG-CB 4.25Å; K282-E373 IonicContact NZ-OE2 3.84Å; K282-E373 PolarHBondContact NZ-OE2 3.24Å |
| 283 | V | 94.9 | Very high | 96.1 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 139.3 | -170.1 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | D287 I289 F347 V372 E373 S375 | V283-D287 HydrophobicContact CG1-CB 3.65Å; V283-I289 HydrophobicContact CG2-CB 4.24Å; V283-I289 HydrophobicContact CG2-CD1 3.82Å; V283-I289 HydrophobicContact CG2-CG1 4.16Å; V283-F347 HydrophobicContact CB-CD1 3.7Å; V283-F347 HydrophobicContact CB-CE1 3.75Å; V283-F347 HydrophobicContact CB-CG 4.13Å; V283-F347 HydrophobicContact CB-CZ 4.21Å; V283-F347 HydrophobicContact CG1-CB 3.76Å; V283-F347 HydrophobicContact CG1-CD1 3.54Å; V283-F347 HydrophobicContact CG1-CD2 4.27Å; V283-F347 HydrophobicContact CG1-CE1 4.13Å; V283-F347 HydrophobicContact CG1-CG 3.61Å; V283-V372 HydrophobicContact CB-CG1 4.36Å; V283-V372 HydrophobicContact CG2-CG1 3.55Å; V283-E373 PolarHBondContact N-O 2.74Å; V283-E373 VanDerWaalsContact N-O 3.07Å; V283-S375 PolarHBondContact O-N 3.28Å |
| 284 | N | 95.2 | Very high | 96.4 | Very high | 87 Ų | 87 | 50.6 Ų | 50.6 | 47% | 0.465 | 31% | 0.305 | S | S | . | . | trans | -84 | 161.5 | 175.3 | -50.5 | -81.6 | 0 | 0 | 0 | 110.1 | G286 D287 | N284-G286 PolarHBondContact O-N 3.31Å; N284-D287 VanDerWaalsContact CB-OD2 3.26Å; N284-D287 WeakPolarHBondContact CB-OD2 3.25Å; N284-D287 PolarHBondContact N-OD2 2.81Å; N284-D287 PolarHBondContact ND2-OD2 2.8Å; N284-D287 PolarHBondContact O-N 2.64Å | ||
| 285 | G | 95.2 | Very high | 96.4 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 123.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111 | F347 F374 | G285-F347 WeakPolarHBondContact CA-O 3.31Å; G285-F374 VanDerWaalsContact N-CZ 3.28Å |
| 286 | G | 93.8 | Very high | 96.1 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 42% | 0.423 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 5.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | N284 D346 F347 | N284-G286 PolarHBondContact O-N 3.31Å; G286-D346 VanDerWaalsContact CA-OD1 3.31Å; G286-D346 WeakPolarHBondContact CA-OD1 3.35Å; G286-F347 PolarHBondContact N-O 3.42Å; G286-F347 VanDerWaalsContact N-O 3.08Å |
| 287 | D | 96 | Very high | 95.6 | Very high | 74 Ų | 74 | 46 Ų | 46 | 40% | 0.396 | 28% | 0.279 | S | S | . | . | trans | -80.9 | 157 | 164 | -75.2 | -31 | 0 | 0 | 0 | 110.6 | V283 N284 F347 | V283-D287 HydrophobicContact CG1-CB 3.65Å; N284-D287 VanDerWaalsContact CB-OD2 3.26Å; N284-D287 WeakPolarHBondContact CB-OD2 3.25Å; N284-D287 PolarHBondContact N-OD2 2.81Å; N284-D287 PolarHBondContact ND2-OD2 2.8Å; N284-D287 PolarHBondContact O-N 2.64Å; D287-F347 WeakPolarHBondContact O-CB 3.49Å; D287-F347 PolarHBondContact O-N 2.65Å | ||
| 288 | D | 96.2 | Very high | 95.1 | Very high | 109 Ų | 109 | 41.1 Ų | 41.1 | 58% | 0.583 | 25% | 0.253 | S | S | * | . | trans | -89.3 | 140.5 | 172.6 | -60.1 | -30.3 | 0 | 0 | 0 | 111.7 | E345 D346 | D288-E345 VanDerWaalsContact OD1-CA 3.28Å; D288-E345 WeakPolarHBondContact OD1-CA 3.31Å; D288-D346 PolarHBondContact OD1-N 2.88Å | ||
| 289 | I | 96.7 | Very high | 94.7 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.7 | 176.9 | -176 | 59.4 | 0 | 0 | 0 | 111.1 | A278 S279 S280 V283 T343 I344 F347 V372 | A278-I289 HydrophobicContact CB-CD1 4.33Å; S279-I289 WeakPolarHBondContact OG-CD1 3.43Å; S280-I289 WeakPolarHBondContact O-CD1 3.13Å; V283-I289 HydrophobicContact CG2-CB 4.24Å; V283-I289 HydrophobicContact CG2-CD1 3.82Å; V283-I289 HydrophobicContact CG2-CG1 4.16Å; I289-T343 WeakPolarHBondContact O-CA 3.46Å; I289-I344 HydrophobicContact CG2-CB 3.7Å; I289-I344 HydrophobicContact CG2-CG2 4.09Å; I289-I344 PolarHBondContact N-O 3.09Å; I289-I344 PolarHBondContact O-N 3.09Å; I289-F347 HydrophobicContact CB-CD2 4.38Å; I289-F347 HydrophobicContact CG2-CD2 3.57Å; I289-F347 HydrophobicContact CG2-CE2 4.11Å; I289-F347 HydrophobicContact CG2-CG 4.46Å; I289-V372 HydrophobicContact CD1-CG1 4.39Å; I289-V372 HydrophobicContact CD1-CG2 4.43Å; I289-V372 HydrophobicContact CG1-CG1 4.22Å; I289-V372 HydrophobicContact CG1-CG2 4.27Å |
| 290 | S | 97.8 | Very high | 94.2 | Very high | 40 Ų | 40 | 43 Ų | 43 | 28% | 0.28 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.8 | 169.6 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | A278 S279 I342 | A278-S290 CarbonylContact C-O 3.56Å; A278-S290 WeakPolarHBondContact CA-O 3.33Å; S279-S290 WeakPolarHBondContact CB-OG 3.3Å; S279-S290 PolarHBondContact N-O 3.36Å; S279-S290 PolarHBondContact OG-N 3.3Å; S279-S290 VanDerWaalsContact OG-N 3.15Å; S279-S290 PolarHBondContact OG-O 2.82Å; S279-S290 PolarHBondContact OG-OG 2.89Å; S290-I342 CarbonylContact C-O 3.56Å; S290-I342 WeakPolarHBondContact CA-O 3.37Å |
| 291 | V | 98.2 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 112.6 | 175.2 | -170.5 | 0 | 0 | 0 | 0 | 109 | I276 L277 A278 W307 I342 Y355 T370 V372 | I276-V291 HydrophobicContact CD1-CG1 3.8Å; I276-V291 HydrophobicContact CG1-CG1 3.65Å; L277-V291 CarbonylContact O-C 3.57Å; L277-V291 WeakPolarHBondContact O-CA 3.36Å; A278-V291 HydrophobicContact CB-CG2 4.04Å; V291-W307 HydrophobicContact CB-CH2 4.2Å; V291-W307 HydrophobicContact CB-CZ3 4.36Å; V291-W307 HydrophobicContact CG1-CH2 3.94Å; V291-W307 HydrophobicContact CG1-CZ3 4.04Å; V291-W307 WeakPolarHBondContact O-CH2 3.4Å; V291-I342 HydrophobicContact CB-CG2 3.81Å; V291-I342 HydrophobicContact CG2-CG2 4.49Å; V291-I342 PolarHBondContact N-O 3.16Å; V291-I342 PolarHBondContact O-N 3.01Å; V291-Y355 HydrophobicContact CB-CD1 4.38Å; V291-Y355 HydrophobicContact CG2-CD1 3.74Å; V291-Y355 HydrophobicContact CG2-CE1 4.27Å; V291-Y355 HydrophobicContact CG2-CG 3.9Å; V291-T370 HydrophobicContact CG1-CG2 3.67Å; V291-V372 HydrophobicContact CG2-CG2 4.42Å |
| 292 | L | 98.4 | Very high | 93.8 | Very high | 51 Ų | 51 | 44.1 Ų | 44.1 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115.8 | -179.7 | 169.4 | 62 | 0 | 0 | 0 | 109.9 | I276 L277 T294 Q339 V341 | I276-L292 CarbonylContact C-O 3.54Å; I276-L292 WeakPolarHBondContact CA-O 3.4Å; L277-L292 PolarHBondContact N-O 2.86Å; L277-L292 PolarHBondContact O-N 2.91Å; L292-T294 WeakPolarHBondContact CG-OG1 3.08Å; L292-Q339 HydrophobicContact CD1-CB 3.99Å; L292-Q339 HydrophobicContact CD1-CG 4.49Å; L292-V341 HydrophobicContact CB-CG2 4.4Å; L292-V341 HydrophobicContact CD1-CG2 3.65Å |
| 293 | C | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 128.3 | 162.1 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | T274 T275 F305 W307 Q339 S340 C357 | T274-C293 WeakPolarHBondContact CG2-SG 3.48Å; T275-C293 WeakPolarHBondContact O-CA 3.28Å; C293-F305 HydrophobicContact CB-CE1 4.34Å; C293-W307 HydrophobicContact CB-CH2 3.69Å; C293-W307 HydrophobicContact CB-CZ2 3.51Å; C293-Q339 CarbonylContact O-C 3.6Å; C293-Q339 WeakPolarHBondContact O-CA 3.22Å; C293-S340 PolarHBondContact N-O 2.8Å; C293-S340 PolarHBondContact O-N 2.88Å; C293-C357 HydrophobicContact CB-CB 3.57Å; C293-C357 WeakPolarHBondContact CB-SG 3.13Å; C293-C357 WeakPolarHBondContact SG-CB 3.43Å; C293-C357 CovalentContact SG-SG 2.03Å; C293-C357 PolarHBondContact SG-SG 3.13Å |
| 294 | T | 97.1 | Very high | 93.9 | Very high | 20 Ų | 20 | 44.3 Ų | 44.3 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.4 | -179.4 | -69.1 | 0 | 0 | 0 | 0 | 110.2 | T274 T275 L292 I337 Q339 | T274-T294 CarbonylContact C-O 3.6Å; T274-T294 WeakPolarHBondContact CA-O 3.4Å; T275-T294 PolarHBondContact N-O 2.83Å; T275-T294 PolarHBondContact O-N 3.3Å; L292-T294 WeakPolarHBondContact CG-OG1 3.08Å; T294-I337 HydrophobicContact CG2-CD1 3.79Å; T294-I337 HydrophobicContact CG2-CG1 3.88Å; T294-Q339 HydrophobicContact CG2-CG 4.23Å; T294-Q339 PolarHBondContact OG1-NE2 3.29Å |
| 295 | V | 95.1 | Very high | 94 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.8 | -176.2 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | P272 S273 T274 V303 F305 I337 S338 A359 | P272-V295 HydrophobicContact CB-CG1 3.63Å; S273-V295 WeakPolarHBondContact O-CA 3.37Å; T274-V295 HydrophobicContact CG2-CG2 3.79Å; V295-V303 HydrophobicContact CB-CG1 4.5Å; V295-V303 HydrophobicContact CG1-CG1 4.12Å; V295-V303 HydrophobicContact CG1-CG2 3.91Å; V295-V303 HydrophobicContact CG2-CG1 4.26Å; V295-F305 HydrophobicContact CB-CE1 4.41Å; V295-F305 HydrophobicContact CB-CZ 4.14Å; V295-F305 HydrophobicContact CG2-CE1 3.49Å; V295-F305 VanDerWaalsContact CG2-CE1 3.49Å; V295-F305 HydrophobicContact CG2-CZ 3.69Å; V295-I337 WeakPolarHBondContact O-CA 3.36Å; V295-S338 PolarHBondContact N-O 2.88Å; V295-S338 PolarHBondContact O-N 3.1Å; V295-A359 HydrophobicContact CG2-CB 3.52Å |
| 296 | L | 91.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.6 | 173.5 | -58.2 | 165 | 0 | 0 | 0 | 108.2 | V267 S273 R329 T335 I337 | V267-L296 HydrophobicContact CG1-CB 4.46Å; S273-L296 PolarHBondContact N-O 3.13Å; S273-L296 PolarHBondContact O-N 2.92Å; L296-R329 VanDerWaalsContact CD2-NH2 3.32Å; L296-T335 HydrophobicContact CB-CG2 4.48Å; L296-T335 HydrophobicContact CD2-CG2 4.4Å; L296-I337 HydrophobicContact CD2-CB 4.36Å; L296-I337 HydrophobicContact CD2-CG1 4.17Å |
| 297 | G | 87.7 | Confident | 94.3 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 174.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R336 | G297-R336 PolarHBondContact N-O 2.97Å; G297-R336 WeakPolarHBondContact O-CA 3.45Å; G297-R336 VanDerWaalsContact O-CB 3.28Å; G297-R336 WeakPolarHBondContact O-CB 3.46Å; G297-R336 PolarHBondContact O-N 2.66Å |
| 298 | E | 87.9 | Confident | 94.4 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | trans | -64.7 | 146.9 | -179.8 | -53.4 | 178.3 | -134.6 | 0 | 0 | 111 | R190 V267 S269 D300 V301 R336 | R190-E298 IonicContact CZ-OE2 3.23Å; R190-E298 VanDerWaalsContact NH1-CD 3.28Å; R190-E298 IonicContact NH1-OE1 2.83Å; R190-E298 PolarHBondContact NH1-OE1 2.81Å; R190-E298 IonicContact NH1-OE2 3.4Å; R190-E298 PolarHBondContact NH1-OE2 2.88Å; R190-E298 IonicContact NH2-OE2 2.88Å; R190-E298 PolarHBondContact NH2-OE2 2.85Å; V267-E298 HydrophobicContact CG2-CG 4.33Å; S269-E298 WeakPolarHBondContact CA-OE1 3.2Å; E298-D300 VanDerWaalsContact C-N 3.33Å; E298-D300 PolarHBondContact O-N 2.73Å; E298-V301 HydrophobicContact CB-CB 4Å; E298-V301 HydrophobicContact CB-CG2 3.75Å; E298-V301 HydrophobicContact CG-CG2 4.17Å; E298-V301 PolarHBondContact O-N 2.85Å; E298-V301 VanDerWaalsContact O-N 3.13Å; E298-R336 WeakPolarHBondContact O-CB 3.34Å | ||
| 299 | P | 87.8 | Confident | 94.4 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | -49.7 | 179.8 | -34.2 | 40.3 | 0 | 0 | 0 | 115.2 | Y185 V265 L326 T334 R336 | Y185-P299 HydrophobicContact CD1-CB 4.12Å; Y185-P299 HydrophobicContact CD1-CG 3.79Å; Y185-P299 HydrophobicContact CE1-CB 3.47Å; Y185-P299 VanDerWaalsContact CE1-CB 3.47Å; Y185-P299 HydrophobicContact CE1-CG 3.48Å; Y185-P299 VanDerWaalsContact CE1-CG 3.48Å; Y185-P299 HydrophobicContact CE2-CB 4.06Å; Y185-P299 WeakPolarHBondContact OH-CB 3.4Å; V265-P299 HydrophobicContact CG2-CG 4Å; P299-L326 HydrophobicContact CB-CD2 3.75Å; P299-L326 HydrophobicContact CG-CD2 4.29Å; P299-T334 HydrophobicContact CG-CG2 4.09Å; P299-R336 PolarHBondContact O-NH1 3.06Å |
| 300 | D | 86.6 | Confident | 94.3 | Very high | 119 Ų | 119 | 41.7 Ų | 41.7 | 64% | 0.636 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92 | 1.6 | -174 | -56.7 | -20.2 | 0 | 0 | 0 | 113.6 | Y185 E298 | Y185-D300 VanDerWaalsContact CD2-OD2 3.3Å; Y185-D300 WeakPolarHBondContact CD2-OD2 3.36Å; Y185-D300 WeakPolarHBondContact CE2-OD1 3.38Å; Y185-D300 WeakPolarHBondContact CE2-OD2 3.26Å; Y185-D300 PolarHBondContact OH-OD1 2.92Å; E298-D300 VanDerWaalsContact C-N 3.33Å; E298-D300 PolarHBondContact O-N 2.73Å |
| 301 | V | 89.3 | Confident | 94 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | trans | -97.7 | 110.6 | -179.7 | 175.4 | 0 | 0 | 0 | 0 | 109.7 | E298 R336 N361 | E298-V301 HydrophobicContact CB-CB 4Å; E298-V301 HydrophobicContact CB-CG2 3.75Å; E298-V301 HydrophobicContact CG-CG2 4.17Å; E298-V301 PolarHBondContact O-N 2.85Å; E298-V301 VanDerWaalsContact O-N 3.13Å; V301-R336 VanDerWaalsContact O-CD 3.26Å; V301-R336 WeakPolarHBondContact O-CD 3.35Å; V301-N361 HydrophobicContact CG1-CB 3.79Å | ||
| 302 | E | 91.6 | Very high | 93.7 | Very high | 146 Ų | 146 | 43.9 Ų | 43.9 | 68% | 0.682 | 22% | 0.217 | S | C | * | . | trans | -69.9 | 155.1 | 172.8 | -170.3 | 152.3 | -119.4 | 0 | 0 | 112 | N361 | E302-N361 WeakPolarHBondContact O-CB 3.34Š| ||
| 303 | V | 94.5 | Very high | 93.4 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 9% | 0.085 | 25% | 0.245 | C | C | . | . | trans | -132.8 | 122.6 | -176.3 | 178.6 | 0 | 0 | 0 | 0 | 108.3 | V295 F305 A359 Q360 | V295-V303 HydrophobicContact CB-CG1 4.5Å; V295-V303 HydrophobicContact CG1-CG1 4.12Å; V295-V303 HydrophobicContact CG1-CG2 3.91Å; V295-V303 HydrophobicContact CG2-CG1 4.26Å; V303-F305 HydrophobicContact CG1-CE1 4.49Å; V303-F305 HydrophobicContact CG1-CE2 4.18Å; V303-F305 HydrophobicContact CG1-CZ 4.16Å; V303-A359 HydrophobicContact CG1-CB 3.86Å; V303-Q360 CarbonylContact C-O 3.6Å; V303-Q360 WeakPolarHBondContact CA-O 3.3Å | ||
| 304 | E | 96.7 | Very high | 93 | Very high | 93 Ų | 93 | 56.4 Ų | 56.4 | 44% | 0.435 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.3 | 170.9 | -170.5 | -166.6 | 157.3 | 0 | 0 | 109.4 | R306 A359 Q360 | E304-R306 IonicContact OE1-CZ 2.68Å; E304-R306 IonicContact OE1-NE 3.31Å; E304-R306 PolarHBondContact OE1-NE 2.88Å; E304-R306 IonicContact OE1-NH2 3.5Å; E304-R306 PolarHBondContact OE1-NH2 2.81Å; E304-R306 IonicContact OE2-CZ 3.31Å; E304-R306 IonicContact OE2-NH2 2.82Å; E304-R306 PolarHBondContact OE2-NH2 2.86Å; E304-A359 CarbonylContact O-C 3.58Å; E304-A359 WeakPolarHBondContact O-CA 3.32Å; E304-Q360 HydrophobicContact CB-CB 4.49Å; E304-Q360 PolarHBondContact N-O 3Å; E304-Q360 PolarHBondContact O-N 3.22Å |
| 305 | F | 97.8 | Very high | 92.8 | Very high | 21 Ų | 21 | 63.9 Ų | 63.9 | 9% | 0.092 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 141.5 | 174.9 | -68.9 | -85.1 | 0 | 0 | 0 | 111.7 | C293 V295 V303 D322 S340 A359 | C293-F305 HydrophobicContact CB-CE1 4.34Å; V295-F305 HydrophobicContact CB-CE1 4.41Å; V295-F305 HydrophobicContact CB-CZ 4.14Å; V295-F305 HydrophobicContact CG2-CE1 3.49Å; V295-F305 VanDerWaalsContact CG2-CE1 3.49Å; V295-F305 HydrophobicContact CG2-CZ 3.69Å; V303-F305 HydrophobicContact CG1-CE1 4.49Å; V303-F305 HydrophobicContact CG1-CE2 4.18Å; V303-F305 HydrophobicContact CG1-CZ 4.16Å; F305-D322 WeakPolarHBondContact CD2-OD2 3.17Å; F305-S340 VanDerWaalsContact CD1-CB 3.49Å; F305-S340 VanDerWaalsContact CG-CB 3.44Å; F305-A359 HydrophobicContact CD1-CB 4.29Å; F305-A359 HydrophobicContact CE1-CB 4.23Å |
| 306 | R | 97.6 | Very high | 92.7 | Very high | 118 Ų | 118 | 65.7 Ų | 65.7 | 45% | 0.445 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 134.9 | 171.2 | -59.8 | -172.6 | -169.5 | 129.3 | 10 | 110.2 | E304 T358 Q360 | E304-R306 IonicContact OE1-CZ 2.68Å; E304-R306 IonicContact OE1-NE 3.31Å; E304-R306 PolarHBondContact OE1-NE 2.88Å; E304-R306 IonicContact OE1-NH2 3.5Å; E304-R306 PolarHBondContact OE1-NH2 2.81Å; E304-R306 IonicContact OE2-CZ 3.31Å; E304-R306 IonicContact OE2-NH2 2.82Å; E304-R306 PolarHBondContact OE2-NH2 2.86Å; R306-T358 PolarHBondContact N-O 3Å; R306-T358 PolarHBondContact O-N 2.89Å; R306-Q360 VanDerWaalsContact CZ-OE1 3.32Å; R306-Q360 VanDerWaalsContact NH2-OE1 3.08Å |
| 307 | W | 97.8 | Very high | 92.8 | Very high | 17 Ų | 17 | 69 Ų | 69 | 6% | 0.064 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.5 | -178 | -73.5 | 98.3 | 0 | 0 | 0 | 112.5 | I276 V291 C293 Q312 I320 S340 I342 I356 C357 | I276-W307 HydrophobicContact CD1-CH2 4.18Å; I276-W307 HydrophobicContact CD1-CZ3 3.9Å; V291-W307 HydrophobicContact CB-CH2 4.2Å; V291-W307 HydrophobicContact CB-CZ3 4.36Å; V291-W307 HydrophobicContact CG1-CH2 3.94Å; V291-W307 HydrophobicContact CG1-CZ3 4.04Å; V291-W307 WeakPolarHBondContact O-CH2 3.4Å; C293-W307 HydrophobicContact CB-CH2 3.69Å; C293-W307 HydrophobicContact CB-CZ2 3.51Å; W307-Q312 PolarHBondContact O-NE2 3.32Å; W307-I320 HydrophobicContact CB-CD1 4.44Å; W307-I320 HydrophobicContact CG-CD1 4.45Å; W307-S340 PolarHBondContact NE1-OG 2.97Å; W307-I342 HydrophobicContact CB-CD1 4.33Å; W307-I342 HydrophobicContact CD2-CB 4.12Å; W307-I342 HydrophobicContact CD2-CG2 3.85Å; W307-I342 HydrophobicContact CE3-CB 4.46Å; W307-I342 HydrophobicContact CE3-CG2 3.71Å; W307-I342 HydrophobicContact CG-CB 4.48Å; W307-I342 HydrophobicContact CG-CD1 4.39Å; W307-I342 HydrophobicContact CH2-CG2 3.67Å; W307-I342 HydrophobicContact CZ2-CB 4.27Å; W307-I342 HydrophobicContact CZ2-CG2 3.82Å; W307-I342 HydrophobicContact CZ3-CG2 3.61Å; W307-I356 WeakPolarHBondContact CA-O 3.22Å; W307-C357 HydrophobicContact CD2-CB 4.38Å; W307-C357 HydrophobicContact CE3-CB 4.05Å; W307-C357 HydrophobicContact CH2-CB 3.91Å; W307-C357 HydrophobicContact CZ2-CB 4.21Å; W307-C357 HydrophobicContact CZ3-CB 3.81Å |
| 308 | I | 97.5 | Very high | 93.2 | Very high | 92 Ų | 92 | 70.7 Ų | 70.7 | 47% | 0.472 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 131.5 | 163.1 | -54.8 | 172.4 | 0 | 0 | 0 | 106.9 | I356 | I308-I356 HydrophobicContact CB-CB 4.22Å; I308-I356 PolarHBondContact N-O 3.07Å; I308-I356 PolarHBondContact O-N 3.18Å |
| 309 | F | 96.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 8% | 0.075 | 36% | 0.361 | C | S | . | . | trans | -145.2 | 161.4 | -176.2 | 58.9 | -86.4 | 0 | 0 | 0 | 110.3 | Q312 R316 V318 I342 Y355 | F309-Q312 HydrophobicContact CD1-CB 4.08Å; F309-Q312 HydrophobicContact CD1-CG 4.26Å; F309-Q312 HydrophobicContact CD2-CB 3.98Å; F309-Q312 HydrophobicContact CE1-CB 3.9Å; F309-Q312 HydrophobicContact CE1-CG 3.77Å; F309-Q312 HydrophobicContact CE2-CB 3.79Å; F309-Q312 HydrophobicContact CE2-CG 4.41Å; F309-Q312 HydrophobicContact CG-CB 4.12Å; F309-Q312 HydrophobicContact CZ-CB 3.75Å; F309-Q312 HydrophobicContact CZ-CG 3.85Å; F309-Q312 WeakPolarHBondContact O-CB 3.27Å; F309-Q312 PolarHBondContact O-N 2.93Å; F309-R316 HydrophobicContact CE2-CB 4.29Å; F309-V318 HydrophobicContact CD2-CG1 4.1Å; F309-V318 HydrophobicContact CE1-CG1 4.38Å; F309-V318 HydrophobicContact CE1-CG2 4.06Å; F309-V318 HydrophobicContact CE2-CG1 3.49Å; F309-V318 VanDerWaalsContact CE2-CG1 3.49Å; F309-V318 HydrophobicContact CE2-CG2 4.45Å; F309-V318 HydrophobicContact CZ-CB 4.4Å; F309-V318 HydrophobicContact CZ-CG1 3.66Å; F309-V318 HydrophobicContact CZ-CG2 3.76Å; F309-I342 HydrophobicContact CB-CD1 4.34Å; F309-I342 HydrophobicContact CD1-CD1 3.55Å; F309-I342 HydrophobicContact CE1-CD1 3.93Å; F309-I342 HydrophobicContact CG-CD1 3.95Å; F309-Y355 HydrophobicContact CB-CD1 3.98Å; F309-Y355 HydrophobicContact CB-CE1 3.93Å | ||
| 310 | P | 94.9 | Very high | 94.1 | Very high | 43 Ų | 43 | 75.9 Ų | 75.9 | 28% | 0.279 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -58.8 | -56.6 | -166.3 | -29.9 | 40.2 | 0 | 0 | 0 | 114.8 | Q312 I350 Y355 | P310-Q312 PolarHBondContact O-N 3.01Å; P310-Q312 VanDerWaalsContact O-N 3.09Å; P310-I350 VanDerWaalsContact CB-O 3.28Å; P310-I350 WeakPolarHBondContact CB-O 3.1Å; P310-Y355 HydrophobicContact CG-CE2 4.14Å |
| 311 | G | 91.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 76.7 Ų | 76.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -73.2 | 10 | -180 | 0 | 0 | 0 | 0 | 0 | 116.4 | K313 D314 R316 I350 | G311-K313 PolarHBondContact O-N 2.75Å; G311-K313 VanDerWaalsContact O-N 3.16Å; G311-D314 PolarHBondContact O-N 2.93Å; G311-D314 VanDerWaalsContact O-N 3.08Å; G311-R316 VanDerWaalsContact O-CB 3.25Å; G311-R316 WeakPolarHBondContact O-CB 3.41Å; G311-R316 PolarHBondContact O-N 2.86Å; G311-I350 PolarHBondContact N-O 2.82Å |
| 312 | Q | 92.3 | Very high | 95 | Very high | 87 Ų | 87 | 79.7 Ų | 79.7 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -63.4 | -22.8 | -173.8 | -172.6 | 174.9 | 38.9 | 0 | 0 | 114 | W307 F309 P310 | W307-Q312 PolarHBondContact O-NE2 3.32Å; F309-Q312 HydrophobicContact CD1-CB 4.08Å; F309-Q312 HydrophobicContact CD1-CG 4.26Å; F309-Q312 HydrophobicContact CD2-CB 3.98Å; F309-Q312 HydrophobicContact CE1-CB 3.9Å; F309-Q312 HydrophobicContact CE1-CG 3.77Å; F309-Q312 HydrophobicContact CE2-CB 3.79Å; F309-Q312 HydrophobicContact CE2-CG 4.41Å; F309-Q312 HydrophobicContact CG-CB 4.12Å; F309-Q312 HydrophobicContact CZ-CB 3.75Å; F309-Q312 HydrophobicContact CZ-CG 3.85Å; F309-Q312 WeakPolarHBondContact O-CB 3.27Å; F309-Q312 PolarHBondContact O-N 2.93Å; P310-Q312 PolarHBondContact O-N 3.01Å; P310-Q312 VanDerWaalsContact O-N 3.09Å |
| 313 | K | 91.2 | Very high | 95.2 | Very high | 196 Ų | 196 | 76.5 Ų | 76.5 | 85% | 0.852 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -81.4 | -23.4 | 176.4 | -72.7 | 179.1 | 179.3 | 172.6 | 0 | 113.5 | G311 E315 | G311-K313 PolarHBondContact O-N 2.75Å; G311-K313 VanDerWaalsContact O-N 3.16Å; K313-E315 VanDerWaalsContact C-N 3.27Å |
| 314 | D | 91.3 | Very high | 95.2 | Very high | 118 Ų | 118 | 82.7 Ų | 82.7 | 63% | 0.631 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 17 | -174.6 | -50.6 | -85.9 | 0 | 0 | 0 | 110.6 | G311 R316 | G311-D314 PolarHBondContact O-N 2.93Å; G311-D314 VanDerWaalsContact O-N 3.08Å; D314-R316 PolarHBondContact O-N 2.9Å; D314-R316 VanDerWaalsContact O-N 3.13Å |
| 315 | E | 91.3 | Very high | 94.9 | Very high | 178 Ų | 178 | 84.9 Ų | 84.9 | 83% | 0.832 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 26.9 | -178.8 | -58 | -170.3 | 165.3 | 0 | 0 | 114.3 | K313 P317 | K313-E315 VanDerWaalsContact C-N 3.27Å; E315-P317 WeakPolarHBondContact O-CD 3.4Å |
| 316 | R | 93.3 | Very high | 94.5 | Very high | 38 Ų | 38 | 87.3 Ų | 87.3 | 14% | 0.143 | 43% | 0.426 | C | S | . | . | trans | -47.1 | 119.6 | 177.9 | 175.5 | 59.8 | 163.3 | 125.6 | -26.2 | 111.5 | F309 G311 D314 V318 I344 E345 D346 D351 | F309-R316 HydrophobicContact CE2-CB 4.29Å; G311-R316 VanDerWaalsContact O-CB 3.25Å; G311-R316 WeakPolarHBondContact O-CB 3.41Å; G311-R316 PolarHBondContact O-N 2.86Å; D314-R316 PolarHBondContact O-N 2.9Å; D314-R316 VanDerWaalsContact O-N 3.13Å; R316-V318 HydrophobicContact CG-CG1 4.47Å; R316-V318 PolarHBondContact O-N 2.88Å; R316-I344 VanDerWaalsContact NH2-CG2 3.3Å; R316-E345 PolarHBondContact NH1-O 3.34Å; R316-E345 PolarHBondContact NH2-O 2.67Å; R316-D346 PolarHBondContact NH2-O 2.85Å; R316-D351 WeakPolarHBondContact CG-OD1 3.47Å; R316-D351 IonicContact CZ-OD1 2.89Å; R316-D351 IonicContact CZ-OD2 3.27Å; R316-D351 VanDerWaalsContact CZ-OD2 3.27Å; R316-D351 VanDerWaalsContact NE-CG 3.31Å; R316-D351 IonicContact NE-OD1 3Å; R316-D351 PolarHBondContact NE-OD1 2.82Å; R316-D351 IonicContact NE-OD2 3.18Å; R316-D351 PolarHBondContact NE-OD2 2.83Å; R316-D351 IonicContact NH2-OD2 2.72Å; R316-D351 PolarHBondContact NH2-OD2 2.89Å | ||
| 317 | P | 93.8 | Very high | 94 | Very high | 101 Ų | 101 | 83.1 Ų | 83.1 | 66% | 0.656 | 41% | 0.412 | S | S | * | . | trans | -61.9 | 130.5 | 176.4 | -26.4 | 36.1 | 0 | 0 | 0 | 112 | E315 | E315-P317 WeakPolarHBondContact O-CD 3.4Š| ||
| 318 | V | 96.1 | Very high | 93.2 | Very high | 44 Ų | 44 | 87.7 Ų | 87.7 | 27% | 0.267 | 44% | 0.438 | S | S | . | . | trans | -137.9 | 145 | 176.4 | -58 | 0 | 0 | 0 | 0 | 110 | F309 R316 I320 I342 T343 I344 | F309-V318 HydrophobicContact CD2-CG1 4.1Å; F309-V318 HydrophobicContact CE1-CG1 4.38Å; F309-V318 HydrophobicContact CE1-CG2 4.06Å; F309-V318 HydrophobicContact CE2-CG1 3.49Å; F309-V318 VanDerWaalsContact CE2-CG1 3.49Å; F309-V318 HydrophobicContact CE2-CG2 4.45Å; F309-V318 HydrophobicContact CZ-CB 4.4Å; F309-V318 HydrophobicContact CZ-CG1 3.66Å; F309-V318 HydrophobicContact CZ-CG2 3.76Å; R316-V318 HydrophobicContact CG-CG1 4.47Å; R316-V318 PolarHBondContact O-N 2.88Å; V318-I320 HydrophobicContact CG2-CD1 4.15Å; V318-I320 HydrophobicContact CG2-CG1 4.15Å; V318-I342 HydrophobicContact CB-CD1 4.11Å; V318-I342 HydrophobicContact CB-CG1 3.99Å; V318-I342 HydrophobicContact CG1-CD1 4.18Å; V318-I342 HydrophobicContact CG1-CG1 4.4Å; V318-I342 HydrophobicContact CG2-CD1 4.07Å; V318-I342 HydrophobicContact CG2-CG1 4.29Å; V318-T343 WeakPolarHBondContact CA-O 3.42Å; V318-I344 HydrophobicContact CB-CG1 4.46Å; V318-I344 HydrophobicContact CG1-CD1 4.17Å; V318-I344 HydrophobicContact CG1-CG1 3.64Å | ||
| 319 | A | 96.9 | Very high | 92 | Very high | 43 Ų | 43 | 88.2 Ų | 88.2 | 36% | 0.355 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 122 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | I342 T343 | A319-I342 CarbonylContact O-C 3.57Å; A319-I342 WeakPolarHBondContact O-CA 3.21Å; A319-T343 PolarHBondContact N-O 2.03Å; A319-T343 PolarHBondContact O-N 3.34Å |
| 320 | I | 97.4 | Very high | 90.7 | Very high | 84 Ų | 84 | 91.5 Ų | 91.5 | 43% | 0.431 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.1 | 174.3 | -62.2 | 171.8 | 0 | 0 | 0 | 108.9 | W307 V318 V341 I342 | W307-I320 HydrophobicContact CB-CD1 4.44Å; W307-I320 HydrophobicContact CG-CD1 4.45Å; V318-I320 HydrophobicContact CG2-CD1 4.15Å; V318-I320 HydrophobicContact CG2-CG1 4.15Å; I320-V341 CarbonylContact C-O 3.55Å; I320-V341 VanDerWaalsContact CA-O 3.31Å; I320-V341 WeakPolarHBondContact CA-O 3.27Å; I320-I342 HydrophobicContact CD1-CD1 4.29Å; I320-I342 HydrophobicContact CD1-CG1 4.5Å; I320-I342 HydrophobicContact CG1-CB 4.15Å; I320-I342 HydrophobicContact CG1-CD1 4.24Å; I320-I342 HydrophobicContact CG1-CG1 3.9Å |
| 321 | Q | 97.6 | Very high | 89.3 | Confident | 136 Ų | 136 | 96.3 Ų | 96.3 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 112.9 | 179.7 | -64.5 | -172.7 | 5.8 | 0 | 0 | 111.2 | S340 V341 | Q321-S340 WeakPolarHBondContact O-CA 3.33Å; Q321-V341 PolarHBondContact N-O 3.08Å; Q321-V341 PolarHBondContact O-N 2.8Å |
| 322 | D | 97.4 | Very high | 88.1 | Confident | 88 Ų | 88 | 97.5 Ų | 97.5 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.2 | 176.2 | -74.8 | 8.9 | 0 | 0 | 0 | 110.4 | F305 Q339 S340 | F305-D322 WeakPolarHBondContact CD2-OD2 3.17Å; D322-Q339 CarbonylContact C-O 3.57Å; D322-Q339 WeakPolarHBondContact CA-O 3.4Å; D322-S340 WeakPolarHBondContact OD1-CB 3.44Å; D322-S340 PolarHBondContact OD1-OG 3.43Å |
| 323 | T | 96.3 | Very high | 87.6 | Confident | 78 Ų | 78 | 93.9 Ų | 93.9 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 158.5 | -179.3 | 61 | 0 | 0 | 0 | 0 | 110.8 | S338 Q339 | T323-S338 CarbonylContact O-C 3.6Å; T323-S338 WeakPolarHBondContact O-CA 3.47Å; T323-Q339 PolarHBondContact N-O 2.55Å; T323-Q339 PolarHBondContact O-N 2.88Å; T323-Q339 PolarHBondContact OG1-O 3.43Å |
| 324 | W | 94.3 | Very high | 87.2 | Confident | 145 Ų | 145 | 84.7 Ų | 84.7 | 55% | 0.549 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 158.7 | 170.5 | 72 | -87.1 | 0 | 0 | 0 | 111.4 | L326 R336 I337 | W324-L326 HydrophobicContact CZ3-CD2 4.36Å; W324-L326 HydrophobicContact CZ3-CG 4.28Å; W324-R336 HydrophobicContact CE3-CG 4.32Å; W324-R336 VanDerWaalsContact CG-NH2 3.34Å; W324-I337 CarbonylContact C-O 3.58Å; W324-I337 VanDerWaalsContact CA-O 3.27Å; W324-I337 WeakPolarHBondContact CA-O 3.46Å |
| 325 | R | 91.6 | Very high | 87.1 | Confident | 138 Ų | 138 | 79 Ų | 79 | 52% | 0.521 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 159.1 | 170.3 | 58.5 | -171.7 | 174.3 | 113.2 | 1.2 | 110.5 | I327 I337 | R325-I327 HydrophobicContact CG-CG2 4.29Å; R325-I327 VanDerWaalsContact NH1-CG2 3.35Å; R325-I337 HydrophobicContact CG-CG2 3.42Å; R325-I337 VanDerWaalsContact CG-CG2 3.42Å; R325-I337 PolarHBondContact N-O 2.79Å; R325-I337 PolarHBondContact O-N 2.97Å |
| 326 | L | 88.9 | Confident | 87 | Confident | 73 Ų | 73 | 71.4 Ų | 71.4 | 38% | 0.382 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 140.5 | 162.6 | -59.4 | -175.8 | 0 | 0 | 0 | 109.5 | P299 W324 T334 R336 | P299-L326 HydrophobicContact CB-CD2 3.75Å; P299-L326 HydrophobicContact CG-CD2 4.29Å; W324-L326 HydrophobicContact CZ3-CD2 4.36Å; W324-L326 HydrophobicContact CZ3-CG 4.28Å; L326-T334 HydrophobicContact CB-CG2 4.31Å; L326-T334 HydrophobicContact CD1-CG2 4.24Å; L326-T334 HydrophobicContact CD2-CG2 4.5Å; L326-R336 HydrophobicContact CD2-CB 4.35Å |
| 327 | I | 86.3 | Confident | 87 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 142.3 | 170.5 | 52 | 168 | 0 | 0 | 0 | 109.6 | R325 R329 T334 T335 I337 | R325-I327 HydrophobicContact CG-CG2 4.29Å; R325-I327 VanDerWaalsContact NH1-CG2 3.35Å; I327-R329 HydrophobicContact CD1-CG 4.18Å; I327-T334 CarbonylContact O-C 3.6Å; I327-T334 WeakPolarHBondContact O-CA 3.01Å; I327-T335 WeakPolarHBondContact CG1-O 3.46Å; I327-T335 PolarHBondContact N-O 2.94Å; I327-T335 PolarHBondContact O-N 3.04Å; I327-I337 HydrophobicContact CD1-CB 3.98Å; I327-I337 HydrophobicContact CD1-CG2 4.13Å; I327-I337 HydrophobicContact CG1-CB 4.24Å; I327-I337 HydrophobicContact CG1-CG2 4.11Å; I327-I337 HydrophobicContact CG2-CG2 3.71Å |
| 328 | N | 81.4 | Confident | 87.1 | Confident | 114 Ų | 114 | 65.9 Ų | 65.9 | 61% | 0.61 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 120.2 | 165.7 | -70.6 | -24.8 | 0 | 0 | 0 | 108.2 | H333 T334 | N328-H333 CarbonylContact C-O 3.6Å; N328-H333 WeakPolarHBondContact CA-O 2.99Å; N328-T334 PolarHBondContact OD1-OG1 2.85Å |
| 329 | R | 71.9 | Confident | 87.2 | Confident | 102 Ų | 102 | 65.7 Ų | 65.7 | 39% | 0.385 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 130.8 | 174 | -73.8 | 179.2 | 156.8 | -164.2 | -9.2 | 109.6 | L296 I327 L331 G332 H333 | L296-R329 VanDerWaalsContact CD2-NH2 3.32Å; I327-R329 HydrophobicContact CD1-CG 4.18Å; R329-L331 PolarHBondContact O-N 2.91Å; R329-G332 PolarHBondContact O-N 2.87Å; R329-H333 PolarHBondContact N-O 2.81Å; R329-H333 PolarHBondContact O-N 2.91Å; R329-H333 VanDerWaalsContact O-N 3.09Å |
| 330 | G | 69.4 | Low | 87.2 | Confident | 87 Ų | 87 | 63.6 Ų | 63.6 | 90% | 0.897 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | -108 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114 | G332 | G330-G332 PolarHBondContact O-N 2.78Š|
| 331 | L | 66.3 | Low | 87.3 | Confident | 144 Ų | 144 | 61.6 Ų | 61.6 | 75% | 0.754 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 19.1 | -173.2 | -62.2 | 170.7 | 0 | 0 | 0 | 115 | R329 | R329-L331 PolarHBondContact O-N 2.91Š|
| 332 | G | 65.1 | Low | 87.3 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 17.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q241 R329 G330 T334 | Q241-G332 PolarHBondContact NE2-O 3Å; R329-G332 PolarHBondContact O-N 2.87Å; G330-G332 PolarHBondContact O-N 2.78Å; G332-T334 PolarHBondContact O-N 3.3Å |
| 333 | H | 81.3 | Confident | 87.3 | Confident | 12 Ų | 12 | 53 Ų | 53 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 116.6 | 177.3 | -58 | 168.2 | 0 | 0 | 0 | 110.1 | Y264 E266 N328 R329 | Y264-H333 AromaticContact CD1-CD2 3.56Å; Y264-H333 AromaticContact CD1-NE2 3.78Å; Y264-H333 CarbonylContact O-C 3.55Å; Y264-H333 VanDerWaalsContact O-CA 3.31Å; Y264-H333 WeakPolarHBondContact O-CA 3.21Å; E266-H333 HydrophobicContact CB-CB 4.1Å; E266-H333 IonicContact OE1-CE1 3.76Å; E266-H333 PolarHBondContact OE1-CE1 3.19Å; E266-H333 IonicContact OE1-ND1 2.66Å; E266-H333 PolarHBondContact OE1-ND1 3.27Å; E266-H333 IonicContact OE2-CE1 2.81Å; E266-H333 IonicContact OE2-CG 2.67Å; E266-H333 IonicContact OE2-ND1 2.75Å; E266-H333 PolarHBondContact OE2-ND1 3.41Å; N328-H333 CarbonylContact C-O 3.6Å; N328-H333 WeakPolarHBondContact CA-O 2.99Å; R329-H333 PolarHBondContact N-O 2.81Å; R329-H333 PolarHBondContact O-N 2.91Å; R329-H333 VanDerWaalsContact O-N 3.09Å |
| 334 | T | 84 | Confident | 87.3 | Confident | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 136.2 | 179.9 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | L263 Y264 P299 L326 I327 N328 G332 | L263-T334 HydrophobicContact CD1-CG2 4.37Å; Y264-T334 PolarHBondContact O-N 2.95Å; P299-T334 HydrophobicContact CG-CG2 4.09Å; L326-T334 HydrophobicContact CB-CG2 4.31Å; L326-T334 HydrophobicContact CD1-CG2 4.24Å; L326-T334 HydrophobicContact CD2-CG2 4.5Å; I327-T334 CarbonylContact O-C 3.6Å; I327-T334 WeakPolarHBondContact O-CA 3.01Å; N328-T334 PolarHBondContact OD1-OG1 2.85Å; G332-T334 PolarHBondContact O-N 3.3Å |
| 335 | T | 87.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 142.2 | -179.5 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | V267 L296 I327 | V267-T335 HydrophobicContact CG1-CG2 3.73Å; V267-T335 HydrophobicContact CG2-CG2 4.34Å; L296-T335 HydrophobicContact CB-CG2 4.48Å; L296-T335 HydrophobicContact CD2-CG2 4.4Å; I327-T335 WeakPolarHBondContact CG1-O 3.46Å; I327-T335 PolarHBondContact N-O 2.94Å; I327-T335 PolarHBondContact O-N 3.04Å |
| 336 | R | 90.6 | Very high | 87.6 | Confident | 18 Ų | 18 | 47.1 Ų | 47.1 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 126.5 | 167.6 | -167.5 | -178.2 | -176.9 | 114.3 | -8.7 | 108.5 | G297 E298 P299 V301 W324 L326 S338 | G297-R336 PolarHBondContact N-O 2.97Å; G297-R336 WeakPolarHBondContact O-CA 3.45Å; G297-R336 VanDerWaalsContact O-CB 3.28Å; G297-R336 WeakPolarHBondContact O-CB 3.46Å; G297-R336 PolarHBondContact O-N 2.66Å; E298-R336 WeakPolarHBondContact O-CB 3.34Å; P299-R336 PolarHBondContact O-NH1 3.06Å; V301-R336 VanDerWaalsContact O-CD 3.26Å; V301-R336 WeakPolarHBondContact O-CD 3.35Å; W324-R336 HydrophobicContact CE3-CG 4.32Å; W324-R336 VanDerWaalsContact CG-NH2 3.34Å; L326-R336 HydrophobicContact CD2-CB 4.35Å; R336-S338 PolarHBondContact NE-OG 2.88Å |
| 337 | I | 92.9 | Very high | 87.9 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 9% | 0.092 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 115.3 | 160.1 | -168.9 | 177.5 | 0 | 0 | 0 | 107.4 | T294 V295 L296 W324 R325 I327 Q339 | T294-I337 HydrophobicContact CG2-CD1 3.79Å; T294-I337 HydrophobicContact CG2-CG1 3.88Å; V295-I337 WeakPolarHBondContact O-CA 3.36Å; L296-I337 HydrophobicContact CD2-CB 4.36Å; L296-I337 HydrophobicContact CD2-CG1 4.17Å; W324-I337 CarbonylContact C-O 3.58Å; W324-I337 VanDerWaalsContact CA-O 3.27Å; W324-I337 WeakPolarHBondContact CA-O 3.46Å; R325-I337 HydrophobicContact CG-CG2 3.42Å; R325-I337 VanDerWaalsContact CG-CG2 3.42Å; R325-I337 PolarHBondContact N-O 2.79Å; R325-I337 PolarHBondContact O-N 2.97Å; I327-I337 HydrophobicContact CD1-CB 3.98Å; I327-I337 HydrophobicContact CD1-CG2 4.13Å; I327-I337 HydrophobicContact CG1-CB 4.24Å; I327-I337 HydrophobicContact CG1-CG2 4.11Å; I327-I337 HydrophobicContact CG2-CG2 3.71Å; I337-Q339 HydrophobicContact CD1-CG 4.24Å; I337-Q339 HydrophobicContact CG1-CG 3.93Å |
| 338 | S | 95.9 | Very high | 88.3 | Confident | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 139.2 | 170.1 | -79 | 0 | 0 | 0 | 0 | 107.8 | V295 T323 R336 | V295-S338 PolarHBondContact N-O 2.88Å; V295-S338 PolarHBondContact O-N 3.1Å; T323-S338 CarbonylContact O-C 3.6Å; T323-S338 WeakPolarHBondContact O-CA 3.47Å; R336-S338 PolarHBondContact NE-OG 2.88Å |
| 339 | Q | 97.3 | Very high | 88.9 | Confident | 39 Ų | 39 | 46.7 Ų | 46.7 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.3 | -175.4 | -57 | -170.3 | -96.9 | 0 | 0 | 109.3 | L292 C293 T294 D322 T323 I337 | L292-Q339 HydrophobicContact CD1-CB 3.99Å; L292-Q339 HydrophobicContact CD1-CG 4.49Å; C293-Q339 CarbonylContact O-C 3.6Å; C293-Q339 WeakPolarHBondContact O-CA 3.22Å; T294-Q339 HydrophobicContact CG2-CG 4.23Å; T294-Q339 PolarHBondContact OG1-NE2 3.29Å; D322-Q339 CarbonylContact C-O 3.57Å; D322-Q339 WeakPolarHBondContact CA-O 3.4Å; T323-Q339 PolarHBondContact N-O 2.55Å; T323-Q339 PolarHBondContact O-N 2.88Å; T323-Q339 PolarHBondContact OG1-O 3.43Å; I337-Q339 HydrophobicContact CD1-CG 4.24Å; I337-Q339 HydrophobicContact CG1-CG 3.93Å |
| 340 | S | 98.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 130.4 | 171.5 | -175.5 | 0 | 0 | 0 | 0 | 108 | C293 F305 W307 Q321 D322 | C293-S340 PolarHBondContact N-O 2.8Å; C293-S340 PolarHBondContact O-N 2.88Å; F305-S340 VanDerWaalsContact CD1-CB 3.49Å; F305-S340 VanDerWaalsContact CG-CB 3.44Å; W307-S340 PolarHBondContact NE1-OG 2.97Å; Q321-S340 WeakPolarHBondContact O-CA 3.33Å; D322-S340 WeakPolarHBondContact OD1-CB 3.44Å; D322-S340 PolarHBondContact OD1-OG 3.43Å |
| 341 | V | 98.3 | Very high | 91.1 | Very high | 41 Ų | 41 | 41 Ų | 41 | 25% | 0.248 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 125.7 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | L292 I320 Q321 | L292-V341 HydrophobicContact CB-CG2 4.4Å; L292-V341 HydrophobicContact CD1-CG2 3.65Å; I320-V341 CarbonylContact C-O 3.55Å; I320-V341 VanDerWaalsContact CA-O 3.31Å; I320-V341 WeakPolarHBondContact CA-O 3.27Å; Q321-V341 PolarHBondContact N-O 3.08Å; Q321-V341 PolarHBondContact O-N 2.8Å |
| 342 | I | 98 | Very high | 92.5 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128.9 | 162.7 | -173.1 | 170.5 | 0 | 0 | 0 | 108.5 | S290 V291 W307 F309 V318 A319 I320 Y355 | S290-I342 CarbonylContact C-O 3.56Å; S290-I342 WeakPolarHBondContact CA-O 3.37Å; V291-I342 HydrophobicContact CB-CG2 3.81Å; V291-I342 HydrophobicContact CG2-CG2 4.49Å; V291-I342 PolarHBondContact N-O 3.16Å; V291-I342 PolarHBondContact O-N 3.01Å; W307-I342 HydrophobicContact CB-CD1 4.33Å; W307-I342 HydrophobicContact CD2-CB 4.12Å; W307-I342 HydrophobicContact CD2-CG2 3.85Å; W307-I342 HydrophobicContact CE3-CB 4.46Å; W307-I342 HydrophobicContact CE3-CG2 3.71Å; W307-I342 HydrophobicContact CG-CB 4.48Å; W307-I342 HydrophobicContact CG-CD1 4.39Å; W307-I342 HydrophobicContact CH2-CG2 3.67Å; W307-I342 HydrophobicContact CZ2-CB 4.27Å; W307-I342 HydrophobicContact CZ2-CG2 3.82Å; W307-I342 HydrophobicContact CZ3-CG2 3.61Å; F309-I342 HydrophobicContact CB-CD1 4.34Å; F309-I342 HydrophobicContact CD1-CD1 3.55Å; F309-I342 HydrophobicContact CE1-CD1 3.93Å; F309-I342 HydrophobicContact CG-CD1 3.95Å; V318-I342 HydrophobicContact CB-CD1 4.11Å; V318-I342 HydrophobicContact CB-CG1 3.99Å; V318-I342 HydrophobicContact CG1-CD1 4.18Å; V318-I342 HydrophobicContact CG1-CG1 4.4Å; V318-I342 HydrophobicContact CG2-CD1 4.07Å; V318-I342 HydrophobicContact CG2-CG1 4.29Å; A319-I342 CarbonylContact O-C 3.57Å; A319-I342 WeakPolarHBondContact O-CA 3.21Å; I320-I342 HydrophobicContact CD1-CD1 4.29Å; I320-I342 HydrophobicContact CD1-CG1 4.5Å; I320-I342 HydrophobicContact CG1-CB 4.15Å; I320-I342 HydrophobicContact CG1-CD1 4.24Å; I320-I342 HydrophobicContact CG1-CG1 3.9Å; I342-Y355 HydrophobicContact CG2-CD1 4.34Å |
| 343 | T | 97.8 | Very high | 94 | Very high | 42 Ų | 42 | 35.7 Ų | 35.7 | 26% | 0.258 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.8 | 177.8 | -57.2 | 0 | 0 | 0 | 0 | 109.6 | I289 V318 A319 | I289-T343 WeakPolarHBondContact O-CA 3.46Å; V318-T343 WeakPolarHBondContact CA-O 3.42Å; A319-T343 PolarHBondContact N-O 2.03Å; A319-T343 PolarHBondContact O-N 3.34Å |
| 344 | I | 96.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.1 | 171.6 | -76.1 | 159 | 0 | 0 | 0 | 107.5 | I289 R316 V318 D351 Y355 | I289-I344 HydrophobicContact CG2-CB 3.7Å; I289-I344 HydrophobicContact CG2-CG2 4.09Å; I289-I344 PolarHBondContact N-O 3.09Å; I289-I344 PolarHBondContact O-N 3.09Å; R316-I344 VanDerWaalsContact NH2-CG2 3.3Å; V318-I344 HydrophobicContact CB-CG1 4.46Å; V318-I344 HydrophobicContact CG1-CD1 4.17Å; V318-I344 HydrophobicContact CG1-CG1 3.64Å; I344-D351 HydrophobicContact CD1-CB 4.4Å; I344-Y355 HydrophobicContact CD1-CE1 3.7Å; I344-Y355 WeakPolarHBondContact CD1-OH 3.28Å |
| 345 | E | 96.4 | Very high | 95.5 | Very high | 133 Ų | 133 | 42.3 Ų | 42.3 | 62% | 0.621 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -93 | 145.8 | 170.6 | -62.3 | 171.9 | -178.9 | 0 | 0 | 109 | D288 R316 | D288-E345 VanDerWaalsContact OD1-CA 3.28Å; D288-E345 WeakPolarHBondContact OD1-CA 3.31Å; R316-E345 PolarHBondContact NH1-O 3.34Å; R316-E345 PolarHBondContact NH2-O 2.67Å |
| 346 | D | 95.4 | Very high | 96 | Very high | 103 Ų | 103 | 44.5 Ų | 44.5 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | S | Bend | trans | 57.1 | 67.1 | 179 | -165 | 8.9 | 0 | 0 | 0 | 112.9 | G286 D288 R316 E348 | G286-D346 VanDerWaalsContact CA-OD1 3.31Å; G286-D346 WeakPolarHBondContact CA-OD1 3.35Å; D288-D346 PolarHBondContact OD1-N 2.88Å; R316-D346 PolarHBondContact NH2-O 2.85Å; D346-E348 PolarHBondContact O-N 3.07Å |
| 347 | F | 95.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | trans | -61.7 | 125 | -171.5 | -177.3 | -101.2 | 0 | 0 | 0 | 113.7 | V283 G285 G286 D287 I289 D351 A352 V372 F374 | V283-F347 HydrophobicContact CB-CD1 3.7Å; V283-F347 HydrophobicContact CB-CE1 3.75Å; V283-F347 HydrophobicContact CB-CG 4.13Å; V283-F347 HydrophobicContact CB-CZ 4.21Å; V283-F347 HydrophobicContact CG1-CB 3.76Å; V283-F347 HydrophobicContact CG1-CD1 3.54Å; V283-F347 HydrophobicContact CG1-CD2 4.27Å; V283-F347 HydrophobicContact CG1-CE1 4.13Å; V283-F347 HydrophobicContact CG1-CG 3.61Å; G285-F347 WeakPolarHBondContact CA-O 3.31Å; G286-F347 PolarHBondContact N-O 3.42Å; G286-F347 VanDerWaalsContact N-O 3.08Å; D287-F347 WeakPolarHBondContact O-CB 3.49Å; D287-F347 PolarHBondContact O-N 2.65Å; I289-F347 HydrophobicContact CB-CD2 4.38Å; I289-F347 HydrophobicContact CG2-CD2 3.57Å; I289-F347 HydrophobicContact CG2-CE2 4.11Å; I289-F347 HydrophobicContact CG2-CG 4.46Å; F347-D351 HydrophobicContact CD2-CB 3.43Å; F347-D351 VanDerWaalsContact CD2-CB 3.43Å; F347-D351 HydrophobicContact CE2-CB 3.38Å; F347-D351 HydrophobicContact CG-CB 4.28Å; F347-D351 HydrophobicContact CZ-CB 4.18Å; F347-A352 HydrophobicContact CZ-CB 4.11Å; F347-V372 HydrophobicContact CE2-CG1 3.95Å; F347-V372 HydrophobicContact CZ-CG1 3.79Å; F347-F374 HydrophobicContact CD1-CD2 4.2Å; F347-F374 HydrophobicContact CD1-CE2 4.48Å; F347-F374 AromaticContact CE1-CD2 3.9Å; F347-F374 HydrophobicContact CE1-CD2 3.9Å | ||
| 348 | E | 94.4 | Very high | 96.6 | Very high | 98 Ų | 98 | 43.8 Ų | 43.8 | 46% | 0.458 | 23% | 0.232 | S | C | . | . | trans | -109.9 | 171.4 | 179.3 | -71.3 | -159.9 | 148.9 | 0 | 0 | 113.1 | D346 I350 D351 | D346-E348 PolarHBondContact O-N 3.07Å; E348-I350 HydrophobicContact CB-CG1 3.8Å; E348-I350 PolarHBondContact O-N 3.12Å; E348-D351 PolarHBondContact N-OD2 3.25Å; E348-D351 WeakPolarHBondContact O-CB 3.43Å; E348-D351 PolarHBondContact O-N 3.15Å | ||
| 349 | T | 93 | Very high | 96.7 | Very high | 107 Ų | 107 | 43.5 Ų | 43.5 | 66% | 0.656 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -21.1 | 174.5 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | D351 F374 | T349-D351 VanDerWaalsContact C-N 3.27Å; T349-F374 HydrophobicContact CG2-CD2 4.08Å; T349-F374 HydrophobicContact CG2-CE2 4.05Å |
| 350 | I | 94.1 | Very high | 96.6 | Very high | 71 Ų | 71 | 44.5 Ų | 44.5 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -15.8 | 172.1 | 59.4 | 166.4 | 0 | 0 | 0 | 113.4 | P310 G311 E348 | P310-I350 VanDerWaalsContact CB-O 3.28Å; P310-I350 WeakPolarHBondContact CB-O 3.1Å; G311-I350 PolarHBondContact N-O 2.82Å; E348-I350 HydrophobicContact CB-CG1 3.8Å; E348-I350 PolarHBondContact O-N 3.12Å |
| 351 | D | 95 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -93.2 | -10.8 | -178.9 | -59.5 | -46.1 | 0 | 0 | 0 | 112.6 | R316 I344 F347 E348 T349 Y355 | R316-D351 WeakPolarHBondContact CG-OD1 3.47Å; R316-D351 IonicContact CZ-OD1 2.89Å; R316-D351 IonicContact CZ-OD2 3.27Å; R316-D351 VanDerWaalsContact CZ-OD2 3.27Å; R316-D351 VanDerWaalsContact NE-CG 3.31Å; R316-D351 IonicContact NE-OD1 3Å; R316-D351 PolarHBondContact NE-OD1 2.82Å; R316-D351 IonicContact NE-OD2 3.18Å; R316-D351 PolarHBondContact NE-OD2 2.83Å; R316-D351 IonicContact NH2-OD2 2.72Å; R316-D351 PolarHBondContact NH2-OD2 2.89Å; I344-D351 HydrophobicContact CD1-CB 4.4Å; F347-D351 HydrophobicContact CD2-CB 3.43Å; F347-D351 VanDerWaalsContact CD2-CB 3.43Å; F347-D351 HydrophobicContact CE2-CB 3.38Å; F347-D351 HydrophobicContact CG-CB 4.28Å; F347-D351 HydrophobicContact CZ-CB 4.18Å; E348-D351 PolarHBondContact N-OD2 3.25Å; E348-D351 WeakPolarHBondContact O-CB 3.43Å; E348-D351 PolarHBondContact O-N 3.15Å; T349-D351 VanDerWaalsContact C-N 3.27Å; D351-Y355 VanDerWaalsContact O-CE2 3.3Å; D351-Y355 WeakPolarHBondContact O-CE2 3.25Å; D351-Y355 PolarHBondContact O-OH 2.83Å |
| 352 | A | 96 | Very high | 96 | Very high | 35 Ų | 35 | 51.3 Ų | 51.3 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | trans | -74.6 | 130.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F347 V372 | F347-A352 HydrophobicContact CZ-CB 4.11Å; A352-V372 CarbonylContact C-O 3.56Å; A352-V372 WeakPolarHBondContact CA-O 3.26Å | ||
| 353 | G | 96.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 22% | 0.216 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.5 | -150.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | T371 V372 | G353-T371 WeakPolarHBondContact O-CA 3.49Å; G353-V372 PolarHBondContact N-O 2.98Å; G353-V372 PolarHBondContact O-N 2.73Å |
| 354 | Y | 97.4 | Very high | 95.4 | Very high | 152 Ų | 152 | 58 Ų | 58 | 60% | 0.596 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 126.4 | -175 | -68.5 | -72.3 | 0 | 0 | 0 | 113 | T370 T371 | Y354-T370 WeakPolarHBondContact CA-O 3.09Å; Y354-T371 WeakPolarHBondContact CD1-OG1 3.37Å; Y354-T371 HydrophobicContact CE1-CG2 4.47Å; Y354-T371 WeakPolarHBondContact CE1-OG1 3.35Å |
| 355 | Y | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 114.7 | 171 | -72.4 | -101.9 | 0 | 0 | 0 | 108.2 | I276 V291 F309 P310 I342 I344 D351 A369 T370 V372 | I276-Y355 WeakPolarHBondContact CD1-O 3.43Å; V291-Y355 HydrophobicContact CB-CD1 4.38Å; V291-Y355 HydrophobicContact CG2-CD1 3.74Å; V291-Y355 HydrophobicContact CG2-CE1 4.27Å; V291-Y355 HydrophobicContact CG2-CG 3.9Å; F309-Y355 HydrophobicContact CB-CD1 3.98Å; F309-Y355 HydrophobicContact CB-CE1 3.93Å; P310-Y355 HydrophobicContact CG-CE2 4.14Å; I342-Y355 HydrophobicContact CG2-CD1 4.34Å; I344-Y355 HydrophobicContact CD1-CE1 3.7Å; I344-Y355 WeakPolarHBondContact CD1-OH 3.28Å; D351-Y355 VanDerWaalsContact O-CE2 3.3Å; D351-Y355 WeakPolarHBondContact O-CE2 3.25Å; D351-Y355 PolarHBondContact O-OH 2.83Å; Y355-A369 CarbonylContact O-C 3.49Å; Y355-A369 VanDerWaalsContact O-CA 3.27Å; Y355-A369 WeakPolarHBondContact O-CA 3.37Å; Y355-T370 PolarHBondContact N-O 2.98Å; Y355-T370 PolarHBondContact O-N 3.39Å; Y355-V372 HydrophobicContact CD2-CB 4.19Å; Y355-V372 HydrophobicContact CD2-CG2 3.78Å; Y355-V372 HydrophobicContact CE2-CB 3.87Å; Y355-V372 HydrophobicContact CE2-CG2 3.83Å |
| 356 | I | 98.3 | Very high | 95.4 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 24% | 0.236 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 117.4 | -171.5 | -45 | -179 | 0 | 0 | 0 | 109.2 | W307 I308 T367 V368 A369 | W307-I356 WeakPolarHBondContact CA-O 3.22Å; I308-I356 HydrophobicContact CB-CB 4.22Å; I308-I356 PolarHBondContact N-O 3.07Å; I308-I356 PolarHBondContact O-N 3.18Å; I356-T367 HydrophobicContact CG2-CG2 3.41Å; I356-T367 VanDerWaalsContact CG2-CG2 3.41Å; I356-V368 CarbonylContact C-O 3.58Å; I356-V368 WeakPolarHBondContact CA-O 3.41Å; I356-A369 HydrophobicContact CG1-CB 4.08Å; I356-A369 HydrophobicContact CG2-CB 4.43Å |
| 357 | C | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129.2 | 170.8 | 174.6 | 0 | 0 | 0 | 0 | 109.6 | I276 C293 W307 T367 V368 | I276-C357 HydrophobicContact CD1-CB 4.14Å; C293-C357 HydrophobicContact CB-CB 3.57Å; C293-C357 WeakPolarHBondContact CB-SG 3.13Å; C293-C357 WeakPolarHBondContact SG-CB 3.43Å; C293-C357 CovalentContact SG-SG 2.03Å; C293-C357 PolarHBondContact SG-SG 3.13Å; W307-C357 HydrophobicContact CD2-CB 4.38Å; W307-C357 HydrophobicContact CE3-CB 4.05Å; W307-C357 HydrophobicContact CH2-CB 3.91Å; W307-C357 HydrophobicContact CZ2-CB 4.21Å; W307-C357 HydrophobicContact CZ3-CB 3.81Å; C357-T367 CarbonylContact O-C 3.57Å; C357-T367 WeakPolarHBondContact O-CA 3.31Å; C357-V368 HydrophobicContact CB-CG2 4.02Å; C357-V368 PolarHBondContact N-O 3.08Å; C357-V368 PolarHBondContact O-N 3.25Å |
| 358 | T | 98.1 | Very high | 95.6 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.5 | 164.8 | -62 | 0 | 0 | 0 | 0 | 109.1 | R306 Q365 T367 | R306-T358 PolarHBondContact N-O 3Å; R306-T358 PolarHBondContact O-N 2.89Å; T358-Q365 HydrophobicContact CG2-CB 4.17Å; T358-T367 WeakPolarHBondContact CG2-OG1 3.34Å; T358-T367 WeakPolarHBondContact OG1-CG2 3.5Å; T358-T367 PolarHBondContact OG1-OG1 2.88Å |
| 359 | A | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | P272 T274 V295 V303 E304 F305 Q365 T366 | P272-A359 HydrophobicContact CB-CB 4.05Å; P272-A359 HydrophobicContact CG-CB 4.27Å; T274-A359 HydrophobicContact CG2-CB 4.21Å; V295-A359 HydrophobicContact CG2-CB 3.52Å; V303-A359 HydrophobicContact CG1-CB 3.86Å; E304-A359 CarbonylContact O-C 3.58Å; E304-A359 WeakPolarHBondContact O-CA 3.32Å; F305-A359 HydrophobicContact CD1-CB 4.29Å; F305-A359 HydrophobicContact CE1-CB 4.23Å; A359-Q365 CarbonylContact O-C 3.57Å; A359-Q365 WeakPolarHBondContact O-CA 3.4Å; A359-T366 PolarHBondContact N-O 2.63Å; A359-T366 PolarHBondContact O-N 3.2Å |
| 360 | Q | 95.5 | Very high | 96 | Very high | 60 Ų | 60 | 52.7 Ų | 52.7 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 139.8 | -176.4 | -178.7 | 175.2 | -10.2 | 0 | 0 | 111.3 | V303 E304 R306 Q365 | V303-Q360 CarbonylContact C-O 3.6Å; V303-Q360 WeakPolarHBondContact CA-O 3.3Å; E304-Q360 HydrophobicContact CB-CB 4.49Å; E304-Q360 PolarHBondContact N-O 3Å; E304-Q360 PolarHBondContact O-N 3.22Å; R306-Q360 VanDerWaalsContact CZ-OE1 3.32Å; R306-Q360 VanDerWaalsContact NH2-OE1 3.08Å; Q360-Q365 HydrophobicContact CB-CB 4.07Å; Q360-Q365 HydrophobicContact CG-CB 4.23Å |
| 361 | N | 93.2 | Very high | 96.1 | Very high | 19 Ų | 19 | 51.7 Ų | 51.7 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | -176.3 | 170.4 | 73.6 | 6.3 | 0 | 0 | 0 | 111 | G270 P272 V301 E302 R363 G364 | G270-N361 PolarHBondContact O-ND2 3.11Å; P272-N361 HydrophobicContact CG-CB 3.96Å; V301-N361 HydrophobicContact CG1-CB 3.79Å; E302-N361 WeakPolarHBondContact O-CB 3.34Å; N361-R363 PolarHBondContact O-N 3.39Å; N361-R363 WeakPolarHBondContact OD1-CA 3.4Å; N361-R363 WeakPolarHBondContact OD1-CB 3.36Å; N361-R363 PolarHBondContact OD1-N 2.89Å; N361-G364 PolarHBondContact N-O 2.95Å; N361-G364 PolarHBondContact O-N 2.72Å; N361-G364 VanDerWaalsContact O-O 3.13Å; N361-G364 PolarHBondContact OD1-N 3.37Å; N361-G364 PolarHBondContact OD1-O 2.97Å |
| 362 | L | 91.5 | Very high | 96.2 | Very high | 165 Ų | 165 | 51.7 Ų | 51.7 | 86% | 0.864 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -2.3 | 178.8 | -61.9 | 177.4 | 0 | 0 | 0 | 115.1 | ||
| 363 | R | 90.4 | Very high | 96.2 | Very high | 155 Ų | 155 | 54.8 Ų | 54.8 | 59% | 0.585 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | -14.1 | 179.7 | -55.9 | -56.8 | -174.9 | -165.6 | 1.6 | 113.4 | G270 N361 | G270-R363 VanDerWaalsContact C-CB 3.47Å; G270-R363 WeakPolarHBondContact O-CB 3.45Å; N361-R363 PolarHBondContact O-N 3.39Å; N361-R363 WeakPolarHBondContact OD1-CA 3.4Å; N361-R363 WeakPolarHBondContact OD1-CB 3.36Å; N361-R363 PolarHBondContact OD1-N 2.89Å |
| 364 | G | 92.8 | Very high | 96 | Very high | 29 Ų | 29 | 58 Ų | 58 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.1 | -161.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N361 | N361-G364 PolarHBondContact N-O 2.95Å; N361-G364 PolarHBondContact O-N 2.72Å; N361-G364 VanDerWaalsContact O-O 3.13Å; N361-G364 PolarHBondContact OD1-N 3.37Å; N361-G364 PolarHBondContact OD1-O 2.97Å |
| 365 | Q | 95.5 | Very high | 95.6 | Very high | 109 Ų | 109 | 55.5 Ų | 55.5 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 153.2 | 175.5 | 66.2 | -178.6 | 66.6 | 0 | 0 | 110.9 | T358 A359 Q360 | T358-Q365 HydrophobicContact CG2-CB 4.17Å; A359-Q365 CarbonylContact O-C 3.57Å; A359-Q365 WeakPolarHBondContact O-CA 3.4Å; Q360-Q365 HydrophobicContact CB-CB 4.07Å; Q360-Q365 HydrophobicContact CG-CB 4.23Å |
| 366 | T | 96.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 24% | 0.239 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 126 | 175.2 | -59.2 | 0 | 0 | 0 | 0 | 108.5 | P272 A359 V368 | P272-T366 WeakPolarHBondContact O-CB 3.4Å; P272-T366 PolarHBondContact O-OG1 2.96Å; A359-T366 PolarHBondContact N-O 2.63Å; A359-T366 PolarHBondContact O-N 3.2Å; T366-V368 HydrophobicContact CG2-CG1 4.45Å |
| 367 | T | 97.8 | Very high | 95.4 | Very high | 75 Ų | 75 | 58.8 Ų | 58.8 | 46% | 0.46 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 130.7 | -179.9 | -58.7 | 0 | 0 | 0 | 0 | 109.5 | I356 C357 T358 | I356-T367 HydrophobicContact CG2-CG2 3.41Å; I356-T367 VanDerWaalsContact CG2-CG2 3.41Å; C357-T367 CarbonylContact O-C 3.57Å; C357-T367 WeakPolarHBondContact O-CA 3.31Å; T358-T367 WeakPolarHBondContact CG2-OG1 3.34Å; T358-T367 WeakPolarHBondContact OG1-CG2 3.5Å; T358-T367 PolarHBondContact OG1-OG1 2.88Å |
| 368 | V | 97.9 | Very high | 95.2 | Very high | 29 Ų | 29 | 62.1 Ų | 62.1 | 18% | 0.176 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 150.4 | 178.7 | -66.4 | 0 | 0 | 0 | 0 | 109.9 | T274 I276 I356 C357 T366 | T274-V368 HydrophobicContact CG2-CG1 4.25Å; T274-V368 HydrophobicContact CG2-CG2 3.61Å; I276-V368 HydrophobicContact CB-CB 4.3Å; I276-V368 HydrophobicContact CB-CG2 3.69Å; I276-V368 HydrophobicContact CD1-CG2 4.44Å; I276-V368 HydrophobicContact CG2-CB 3.85Å; I276-V368 HydrophobicContact CG2-CG2 3.82Å; I356-V368 CarbonylContact C-O 3.58Å; I356-V368 WeakPolarHBondContact CA-O 3.41Å; C357-V368 HydrophobicContact CB-CG2 4.02Å; C357-V368 PolarHBondContact N-O 3.08Å; C357-V368 PolarHBondContact O-N 3.25Å; T366-V368 HydrophobicContact CG2-CG1 4.45Å |
| 369 | A | 97.8 | Very high | 95.1 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.8 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y355 I356 | Y355-A369 CarbonylContact O-C 3.49Å; Y355-A369 VanDerWaalsContact O-CA 3.27Å; Y355-A369 WeakPolarHBondContact O-CA 3.37Å; I356-A369 HydrophobicContact CG1-CB 4.08Å; I356-A369 HydrophobicContact CG2-CB 4.43Å |
| 370 | T | 97.9 | Very high | 94.9 | Very high | 24 Ų | 24 | 68.6 Ų | 68.6 | 15% | 0.147 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 164.4 | 163.9 | -167.4 | 0 | 0 | 0 | 0 | 109.6 | I276 A278 V291 Y354 Y355 | I276-T370 HydrophobicContact CD1-CG2 3.97Å; I276-T370 HydrophobicContact CG1-CG2 4.01Å; A278-T370 HydrophobicContact CB-CG2 4.17Å; V291-T370 HydrophobicContact CG1-CG2 3.67Å; Y354-T370 WeakPolarHBondContact CA-O 3.09Å; Y355-T370 PolarHBondContact N-O 2.98Å; Y355-T370 PolarHBondContact O-N 3.39Å |
| 371 | T | 97.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 69.2 Ų | 69.2 | 31% | 0.313 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 135.7 | 175.6 | -45.7 | 0 | 0 | 0 | 0 | 109 | G353 Y354 E373 | G353-T371 WeakPolarHBondContact O-CA 3.49Å; Y354-T371 WeakPolarHBondContact CD1-OG1 3.37Å; Y354-T371 HydrophobicContact CE1-CG2 4.47Å; Y354-T371 WeakPolarHBondContact CE1-OG1 3.35Å; T371-E373 HydrophobicContact CG2-CG 4.41Å |
| 372 | V | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124.4 | 168.1 | -175.9 | 0 | 0 | 0 | 0 | 107.5 | A278 V283 I289 V291 F347 A352 G353 Y355 | A278-V372 HydrophobicContact CB-CG2 3.94Å; V283-V372 HydrophobicContact CB-CG1 4.36Å; V283-V372 HydrophobicContact CG2-CG1 3.55Å; I289-V372 HydrophobicContact CD1-CG1 4.39Å; I289-V372 HydrophobicContact CD1-CG2 4.43Å; I289-V372 HydrophobicContact CG1-CG1 4.22Å; I289-V372 HydrophobicContact CG1-CG2 4.27Å; V291-V372 HydrophobicContact CG2-CG2 4.42Å; F347-V372 HydrophobicContact CE2-CG1 3.95Å; F347-V372 HydrophobicContact CZ-CG1 3.79Å; A352-V372 CarbonylContact C-O 3.56Å; A352-V372 WeakPolarHBondContact CA-O 3.26Å; G353-V372 PolarHBondContact N-O 2.98Å; G353-V372 PolarHBondContact O-N 2.73Å; Y355-V372 HydrophobicContact CD2-CB 4.19Å; Y355-V372 HydrophobicContact CD2-CG2 3.78Å; Y355-V372 HydrophobicContact CE2-CB 3.87Å; Y355-V372 HydrophobicContact CE2-CG2 3.83Å |
| 373 | E | 95.8 | Very high | 95.3 | Very high | 100 Ų | 100 | 65.7 Ų | 65.7 | 47% | 0.467 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 155 | 177.4 | -62 | -179.4 | 173.2 | 0 | 0 | 110.5 | N281 K282 V283 T371 | N281-E373 PolarHBondContact O-N 3.04Å; K282-E373 WeakPolarHBondContact CA-O 3.28Å; K282-E373 VanDerWaalsContact CE-OE2 3.22Å; K282-E373 WeakPolarHBondContact CE-OE2 3.31Å; K282-E373 HydrophobicContact CG-CB 4.25Å; K282-E373 IonicContact NZ-OE2 3.84Å; K282-E373 PolarHBondContact NZ-OE2 3.24Å; V283-E373 PolarHBondContact N-O 2.74Å; V283-E373 VanDerWaalsContact N-O 3.07Å; T371-E373 HydrophobicContact CG2-CG 4.41Å |
| 374 | F | 92.4 | Very high | 95.7 | Very high | 87 Ų | 87 | 58.3 Ų | 58.3 | 38% | 0.382 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 146.8 | 160.8 | -152.4 | -88.7 | 0 | 0 | 0 | 109.2 | G285 F347 T349 | G285-F374 VanDerWaalsContact N-CZ 3.28Å; F347-F374 HydrophobicContact CD1-CD2 4.2Å; F347-F374 HydrophobicContact CD1-CE2 4.48Å; F347-F374 AromaticContact CE1-CD2 3.9Å; F347-F374 HydrophobicContact CE1-CD2 3.9Å; T349-F374 HydrophobicContact CG2-CD2 4.08Å; T349-F374 HydrophobicContact CG2-CE2 4.05Å |
| 375 | S | 89.3 | Confident | 95.9 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 70% | 0.699 | 35% | 0.351 | S | S | * | . | trans | -76.4 | 0 | -176.5 | -165 | 0 | 0 | 0 | 0 | 115 | V283 | V283-S375 PolarHBondContact O-N 3.28Š|
Retrieved 375 of 375 residues in 606.4 ms
(Link to these results)