| 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 | 53.7 | Low | 55.8 | Low | 208 Ų | 208 | 142.8 Ų | 142.8 | 100% | 1.025 | 72% | 0.721 | S | S | * | * | 0 | 51.1 | 0 | -170.2 | 173.6 | -77.1 | 0 | 0 | 108.1 | |||||
| 2 | D | 57 | Low | 55.3 | Low | 126 Ų | 126 | 137.3 Ų | 137.3 | 67% | 0.674 | 71% | 0.714 | S | S | * | * | trans | -133 | 9.3 | -144.9 | -36.4 | -61.7 | 0 | 0 | 0 | 114.7 | ||||
| 3 | E | 61.4 | Low | 54.6 | Low | 168 Ų | 168 | 138 Ų | 138 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -95.5 | -20.1 | 177.1 | -70.9 | -174.5 | 122 | 0 | 0 | 113.6 | ||
| 4 | L | 57.2 | Low | 53.1 | Low | 133 Ų | 133 | 136.6 Ų | 136.6 | 70% | 0.696 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -78.9 | -36.9 | 178.1 | -99.6 | 74.3 | 0 | 0 | 0 | 112.8 | L6 L7 L8 | L4-L6 PolarHBondContact O-N 2.82Å; L4-L7 PolarHBondContact O-N 3.29Å; L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 PolarHBondContact O-N 3.47Å |
| 5 | D | 60.8 | Low | 52.3 | Low | 115 Ų | 115 | 135.9 Ų | 135.9 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -70 | -34.5 | -175.9 | -70.8 | -13.7 | 0 | 0 | 0 | 112.1 | L7 L8 E9 | D5-L7 PolarHBondContact O-N 2.8Å; D5-L8 PolarHBondContact O-N 3Å; D5-L8 VanDerWaalsContact O-N 3.12Å; D5-E9 PolarHBondContact O-N 3.32Å |
| 6 | L | 57.2 | Low | 51.5 | Low | 127 Ų | 127 | 136.3 Ų | 136.3 | 67% | 0.665 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -61.8 | -29.7 | 174.2 | -86.4 | 164.3 | 0 | 0 | 0 | 113.3 | L4 | L4-L6 PolarHBondContact O-N 2.82Å |
| 7 | L | 53.9 | Low | 50.2 | Low | 112 Ų | 112 | 132.9 Ų | 132.9 | 59% | 0.586 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -81.2 | -19.7 | 176.7 | -74.8 | 167.7 | 0 | 0 | 0 | 113.3 | L4 D5 | L4-L7 PolarHBondContact O-N 3.29Å; D5-L7 PolarHBondContact O-N 2.8Å |
| 8 | L | 58.6 | Low | 49.4 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -79.9 | -31.7 | 173.8 | -94.5 | 80.6 | 0 | 0 | 0 | 112.1 | L4 D5 | L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 PolarHBondContact O-N 3.47Å; D5-L8 PolarHBondContact O-N 3Å; D5-L8 VanDerWaalsContact O-N 3.12Å |
| 9 | E | 57.1 | Low | 48.3 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 66% | 0.659 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -79.9 | -28.4 | -175.8 | -159.5 | 150.6 | -145.8 | 0 | 0 | 112.9 | D5 L11 A12 | D5-E9 PolarHBondContact O-N 3.32Å; E9-L11 VanDerWaalsContact C-N 3.26Å; E9-L11 PolarHBondContact O-N 3.2Å; E9-A12 PolarHBondContact O-N 2.8Å |
| 10 | E | 52.5 | Low | 47.3 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -21.6 | 176.4 | -162.1 | 168.5 | -148.3 | 0 | 0 | 113.3 | ||
| 11 | L | 45 | Very low | 46.5 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -8.9 | 174.7 | -68.7 | 174.5 | 0 | 0 | 0 | 113.9 | E9 | E9-L11 VanDerWaalsContact C-N 3.26Å; E9-L11 PolarHBondContact O-N 3.2Å |
| 12 | A | 48.8 | Very low | 45.5 | Very low | 77 Ų | 77 | 129.5 Ų | 129.5 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -92.6 | -9.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | E9 | E9-A12 PolarHBondContact O-N 2.8Š|
| 13 | L | 46.3 | Very low | 44 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | -132.9 | 77.7 | -168.8 | -69.2 | 175.3 | 0 | 0 | 0 | 114.4 | ||||
| 14 | S | 34 | Very low | 42.4 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -149.2 | 132.6 | 145.5 | 51.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 15 | P | 40.7 | Very low | 41 | Very low | 126 Ų | 126 | 126 Ų | 126 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -98.6 | 163.9 | -170.1 | 36.7 | -33.6 | 0 | 0 | 0 | 114.1 | ||||
| 16 | T | 40.1 | Very low | 39.4 | Very low | 142 Ų | 142 | 126.9 Ų | 126.9 | 87% | 0.871 | 74% | 0.741 | S | S | * | * | trans | -58.6 | 134.1 | 174.1 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 17 | G | 29.7 | Very low | 38 | Very low | 80 Ų | 80 | 124.7 Ų | 124.7 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | trans | -135 | 121.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 18 | S | 34.7 | Very low | 36.8 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -98.4 | 149.4 | -164.8 | -42.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 19 | N | 28.8 | Very low | 35.2 | Very low | 161 Ų | 161 | 124.2 Ų | 124.2 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | 179.7 | 110.6 | 144.9 | -89.8 | -23.6 | 0 | 0 | 0 | 106.9 | ||||
| 20 | S | 29.1 | Very low | 33.8 | Very low | 102 Ų | 102 | 121.4 Ų | 121.4 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | cis | 78.1 | 95 | 38.5 | -155.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 21 | L | 29 | Very low | 32.7 | Very low | 143 Ų | 143 | 123.7 Ų | 123.7 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | -162.3 | 114 | 127.3 | -121.5 | 76.7 | 0 | 0 | 0 | 107.4 | |||||
| 22 | Q | 33.3 | Very low | 32.1 | Very low | 153 Ų | 153 | 120.4 Ų | 120.4 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | 58.6 | 127 | 113.6 | -66.2 | 175.6 | -23.2 | 0 | 0 | 115.5 | |||||
| 23 | E | 26.4 | Very low | 31.6 | Very low | 170 Ų | 170 | 122.6 Ų | 122.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | cis | -164 | -179.8 | -3.2 | -123.1 | 179.7 | 78.9 | 0 | 0 | 107.5 | ||||
| 24 | A | 27.5 | Very low | 30.8 | Very low | 69 Ų | 69 | 120.1 Ų | 120.1 | 57% | 0.57 | 79% | 0.789 | S | S | * | * | cis | -154.3 | 162.9 | 15.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 25 | T | 27.3 | Very low | 30.7 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | 43.7 | 114.7 | 147.5 | 59.2 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 26 | T | 26.6 | Very low | 30.3 | Very low | 134 Ų | 134 | 120 Ų | 120 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 65.1 | 139.4 | 132.8 | 59.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 27 | A | 29.1 | Very low | 29.9 | Very low | 81 Ų | 81 | 120.6 Ų | 120.6 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | cis | -164.2 | 156.1 | -11.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 28 | T | 27.9 | Very low | 30 | Very low | 140 Ų | 140 | 123.6 Ų | 123.6 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | 50 | 107.5 | 154.3 | 46.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 29 | G | 25 | Very low | 29.7 | Very low | 87 Ų | 87 | 121.8 Ų | 121.8 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | 90 | 115.5 | 106.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 30 | G | 27.8 | Very low | 29.8 | Very low | 81 Ų | 81 | 121.8 Ų | 121.8 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 160.6 | 99 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 31 | Q | 28.9 | Very low | 29.8 | Very low | 204 Ų | 204 | 126.7 Ų | 126.7 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | trans | -72.3 | 146.8 | 175.2 | -75.2 | 168.5 | -25.4 | 0 | 0 | 111.7 | ||||
| 32 | A | 33.2 | Very low | 29.9 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -104.8 | 142 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 33 | P | 38 | Very low | 29.7 | Very low | 123 Ų | 123 | 132.3 Ų | 132.3 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | trans | -81.6 | 146.1 | 165 | 33.1 | -31.6 | 0 | 0 | 0 | 110.7 | ||||
| 34 | A | 29.8 | Very low | 29.7 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -78.3 | 137.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 35 | A | 31.4 | Very low | 29.5 | Very low | 84 Ų | 84 | 135.9 Ų | 135.9 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | trans | -85.6 | 115.5 | 159 | 0 | 0 | 0 | 0 | 0 | 108.7 | L37 | A35-L37 PolarHBondContact O-N 2.85Š| ||
| 36 | I | 32.9 | Very low | 29.4 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -79.3 | 104.1 | 172.7 | -61 | -179 | 0 | 0 | 0 | 108.1 | ||||
| 37 | L | 32.3 | Very low | 29.5 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | trans | -98.4 | 115.5 | 172.7 | -64.7 | 173.4 | 0 | 0 | 0 | 109.3 | A35 G39 | A35-L37 PolarHBondContact O-N 2.85Å; L37-G39 PolarHBondContact O-N 3.31Å | ||
| 38 | V | 30.5 | Very low | 29.4 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | trans | -81.5 | 107.8 | 165.3 | 179.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 39 | G | 27.7 | Very low | 29.3 | Very low | 69 Ų | 69 | 132.5 Ų | 132.5 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -100.8 | 107.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L37 | L37-G39 PolarHBondContact O-N 3.31Š| ||
| 40 | D | 31.1 | Very low | 29.6 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -73.3 | 140.7 | 171.3 | -128.5 | -55.1 | 0 | 0 | 0 | 111.9 | ||||
| 41 | K | 30.2 | Very low | 29.6 | Very low | 206 Ų | 206 | 138 Ų | 138 | 90% | 0.896 | 80% | 0.804 | S | S | * | * | trans | -96.6 | 117.3 | -178.4 | -84.5 | -176.2 | 178.1 | 174.3 | 0 | 111.5 | ||||
| 42 | K | 31.1 | Very low | 29.6 | Very low | 197 Ų | 197 | 134.4 Ų | 134.4 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -115.1 | 134.1 | 178.2 | -175 | 179.8 | -174.5 | 176.2 | 0 | 111.9 | ||||
| 43 | R | 28.6 | Very low | 29.3 | Very low | 216 Ų | 216 | 138.1 Ų | 138.1 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | -168.9 | 109.7 | 142.6 | -106.7 | -170.8 | 146.5 | 160.1 | 0.7 | 110.1 | ||||
| 44 | E | 26.4 | Very low | 29.2 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | 76.6 | 131.1 | 102.8 | -71.7 | -172.5 | 129.6 | 0 | 0 | 113 | |||||
| 45 | K | 24.6 | Very low | 29.6 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | cis | -167 | 146.5 | 41.1 | -145 | 176.1 | -170.8 | 177.9 | 0 | 112.6 | ||||
| 46 | S | 24.8 | Very low | 29.5 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | 48.7 | 142.8 | 150.1 | 49 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 47 | S | 28 | Very low | 29.7 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | cis | -170.9 | 156.3 | 2.4 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 48 | A | 26.9 | Very low | 29.8 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | 69.6 | 131.1 | 154.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 49 | G | 26.6 | Very low | 29.8 | Very low | 73 Ų | 73 | 136.3 Ų | 136.3 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | 150.8 | 103.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 50 | S | 30.6 | Very low | 29.9 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 121 | 178 | 51.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 51 | N | 27.9 | Very low | 30.3 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 136.5 | 174.8 | -78.8 | -12.6 | 0 | 0 | 0 | 111.8 | ||
| 52 | V | 28.9 | Very low | 30.2 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 149.9 | -179.2 | 177.7 | 0 | 0 | 0 | 0 | 109 | ||
| 53 | Y | 27.3 | Very low | 30.4 | Very low | 171 Ų | 171 | 127 Ų | 127 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | 81.8 | 89.8 | 165.6 | -123.8 | -117.1 | 0 | 0 | 0 | 118.1 | D55 L56 | Y53-D55 WeakPolarHBondContact CD1-O 3.26Å; Y53-D55 WeakPolarHBondContact CE1-O 3.39Å; Y53-L56 HydrophobicContact CE1-CD1 3.75Å; Y53-L56 HydrophobicContact CE1-CG 3.87Å | ||
| 54 | S | 36.5 | Very low | 30.8 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -78.5 | 170.3 | 133.9 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 55 | D | 38 | Very low | 31.6 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | 80.5 | 128 | 178.7 | -55.1 | -40.1 | 0 | 0 | 0 | 116.8 | Y53 | Y53-D55 WeakPolarHBondContact CD1-O 3.26Å; Y53-D55 WeakPolarHBondContact CE1-O 3.39Å | ||
| 56 | L | 29.2 | Very low | 32.5 | Very low | 145 Ų | 145 | 120.1 Ų | 120.1 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | 172.9 | 162.3 | 136.2 | -90.1 | 179 | 0 | 0 | 0 | 109.4 | Y53 | Y53-L56 HydrophobicContact CE1-CD1 3.75Å; Y53-L56 HydrophobicContact CE1-CG 3.87Å | ||
| 57 | P | 36 | Very low | 33.2 | Very low | 112 Ų | 112 | 123 Ų | 123 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -109.8 | -179 | -134.5 | 41.4 | -37.9 | 0 | 0 | 0 | 116 | ||||
| 58 | A | 34 | Very low | 34.1 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 146.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 59 | P | 31.6 | Very low | 34.9 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 132.8 | -173.7 | 29.7 | -34.8 | 0 | 0 | 0 | 112.7 | ||
| 60 | V | 29.9 | Very low | 36.3 | Very low | 136 Ų | 136 | 122.9 Ų | 122.9 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -98.2 | 141.5 | 171.1 | 174.7 | 0 | 0 | 0 | 0 | 109.2 | ||
| 61 | A | 38.6 | Very low | 37.4 | Very low | 104 Ų | 104 | 123 Ų | 123 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 135.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 62 | A | 28.4 | Very low | 38.8 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | trans | -122.6 | 122.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 63 | A | 35.6 | Very low | 40.3 | Very low | 102 Ų | 102 | 121.3 Ų | 121.3 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -78.9 | 152.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 64 | L | 36 | Very low | 41.8 | Very low | 165 Ų | 165 | 119.2 Ų | 119.2 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | trans | -119.8 | 147.9 | 171.3 | -71.7 | 174.3 | 0 | 0 | 0 | 110.2 | ||||
| 65 | P | 44.3 | Very low | 43.2 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | -78.6 | 161.1 | -174.5 | 32.8 | -36.4 | 0 | 0 | 0 | 113.2 | ||||
| 66 | P | 43.1 | Very low | 44.7 | Very low | 110 Ų | 110 | 115.5 Ų | 115.5 | 71% | 0.714 | 71% | 0.71 | S | S | * | * | trans | -96.3 | 117 | -175.2 | 35.1 | -29.5 | 0 | 0 | 0 | 112.7 | ||||
| 67 | D | 39.1 | Very low | 46.5 | Very low | 164 Ų | 164 | 113.9 Ų | 113.9 | 88% | 0.877 | 70% | 0.702 | S | S | * | * | trans | -153 | 120.2 | 159.9 | -93.9 | -46.7 | 0 | 0 | 0 | 110.2 | ||||
| 68 | S | 46.7 | Very low | 47.9 | Very low | 104 Ų | 104 | 114 Ų | 114 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | S | Bend | trans | 25.9 | 134.4 | 158.9 | -159.7 | 0 | 0 | 0 | 0 | 121.2 | ||
| 69 | P | 44.2 | Very low | 49.2 | Very low | 91 Ų | 91 | 115.6 Ų | 115.6 | 59% | 0.591 | 69% | 0.69 | S | S | * | * | S | Bend | cis | -126 | 20.2 | 18.9 | 38.2 | -20.8 | 0 | 0 | 0 | 114.1 | L71 | P69-L71 VanDerWaalsContact C-N 3.33Å; P69-L71 PolarHBondContact O-N 2.99Å |
| 70 | T | 56.2 | Low | 50.2 | Low | 96 Ų | 96 | 115.7 Ų | 115.7 | 59% | 0.589 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67.9 | -27.5 | -174.5 | 40.5 | 0 | 0 | 0 | 0 | 114.4 | E72 L73 E74 | T70-E72 VanDerWaalsContact C-N 3.35Å; T70-E72 PolarHBondContact O-N 3.27Å; T70-L73 PolarHBondContact O-N 2.8Å; T70-E74 PolarHBondContact O-N 2.91Å |
| 71 | L | 52.9 | Low | 51.3 | Low | 115 Ų | 115 | 114.7 Ų | 114.7 | 60% | 0.602 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -67.8 | -28.2 | -176.9 | -68.2 | 174.8 | 0 | 0 | 0 | 114 | P69 S75 | P69-L71 VanDerWaalsContact C-N 3.33Å; P69-L71 PolarHBondContact O-N 2.99Å; L71-S75 WeakPolarHBondContact O-CB 3.42Å; L71-S75 PolarHBondContact O-N 3.48Å |
| 72 | E | 58.3 | Low | 51.8 | Low | 153 Ų | 153 | 112.6 Ų | 112.6 | 72% | 0.715 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.3 | -38.1 | 174.1 | -65.3 | -164.8 | 168.5 | 0 | 0 | 111.1 | T70 S75 I76 | T70-E72 VanDerWaalsContact C-N 3.35Å; T70-E72 PolarHBondContact O-N 3.27Å; E72-S75 PolarHBondContact O-N 3.48Å; E72-I76 WeakPolarHBondContact O-CD1 3.14Å; E72-I76 VanDerWaalsContact O-CG1 3.22Å; E72-I76 WeakPolarHBondContact O-CG1 3.4Å; E72-I76 PolarHBondContact O-N 2.78Å |
| 73 | L | 60.2 | Low | 52.5 | Low | 110 Ų | 110 | 116.1 Ų | 116.1 | 58% | 0.576 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -68.9 | -36.8 | 174.9 | -65.6 | 172.5 | 0 | 0 | 0 | 112 | T70 I76 L77 | T70-L73 PolarHBondContact O-N 2.8Å; L73-I76 PolarHBondContact O-N 2.93Å; L73-L77 VanDerWaalsContact O-CD1 3.3Å; L73-L77 WeakPolarHBondContact O-CD1 3.23Å; L73-L77 PolarHBondContact O-N 2.94Å |
| 74 | E | 59.9 | Low | 53.1 | Low | 128 Ų | 128 | 115.3 Ų | 115.3 | 60% | 0.598 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.8 | -39.2 | 175.6 | -166.9 | 162.9 | -152.8 | 0 | 0 | 111.7 | T70 I76 L77 Q78 | T70-E74 PolarHBondContact O-N 2.91Å; E74-I76 PolarHBondContact O-N 2.76Å; E74-L77 PolarHBondContact O-N 3.39Å; E74-Q78 WeakPolarHBondContact O-CB 3.31Å; E74-Q78 PolarHBondContact O-N 2.95Å |
| 75 | S | 65.7 | Low | 53.4 | Low | 68 Ų | 68 | 117 Ų | 117 | 48% | 0.476 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -61.7 | -41.8 | 171.3 | -164.9 | 0 | 0 | 0 | 0 | 112.1 | L71 E72 Q78 D79 | L71-S75 WeakPolarHBondContact O-CB 3.42Å; L71-S75 PolarHBondContact O-N 3.48Å; E72-S75 PolarHBondContact O-N 3.48Å; S75-Q78 PolarHBondContact O-N 2.83Å; S75-D79 PolarHBondContact O-N 3.01Å |
| 76 | I | 68.4 | Low | 52.9 | Low | 97 Ų | 97 | 115.1 Ų | 115.1 | 50% | 0.497 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -65.8 | -39.7 | 177.1 | -68.7 | 162.1 | 0 | 0 | 0 | 111.4 | E72 L73 E74 L80 | E72-I76 WeakPolarHBondContact O-CD1 3.14Å; E72-I76 VanDerWaalsContact O-CG1 3.22Å; E72-I76 WeakPolarHBondContact O-CG1 3.4Å; E72-I76 PolarHBondContact O-N 2.78Å; L73-I76 PolarHBondContact O-N 2.93Å; E74-I76 PolarHBondContact O-N 2.76Å; I76-L80 HydrophobicContact CG2-CD1 4.3Å; I76-L80 WeakPolarHBondContact O-CG 3.26Å; I76-L80 PolarHBondContact O-N 3.15Å |
| 77 | L | 66.4 | Low | 52.8 | Low | 112 Ų | 112 | 117.3 Ų | 117.3 | 59% | 0.586 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -66.6 | -36.4 | 173.9 | -99.5 | 95.9 | 0 | 0 | 0 | 112.5 | L73 E74 L80 M81 | L73-L77 VanDerWaalsContact O-CD1 3.3Å; L73-L77 WeakPolarHBondContact O-CD1 3.23Å; L73-L77 PolarHBondContact O-N 2.94Å; E74-L77 PolarHBondContact O-N 3.39Å; L77-L80 PolarHBondContact O-N 3.43Å; L77-M81 PolarHBondContact O-N 2.74Å |
| 78 | Q | 66.8 | Low | 52.6 | Low | 115 Ų | 115 | 118.9 Ų | 118.9 | 54% | 0.537 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -72.4 | -37.8 | -178.3 | -167.8 | 57.5 | 56.8 | 0 | 0 | 112.3 | E74 S75 L80 M81 G82 | E74-Q78 WeakPolarHBondContact O-CB 3.31Å; E74-Q78 PolarHBondContact O-N 2.95Å; S75-Q78 PolarHBondContact O-N 2.83Å; Q78-L80 VanDerWaalsContact C-N 3.31Å; Q78-L80 PolarHBondContact O-N 3.09Å; Q78-M81 PolarHBondContact O-N 3.45Å; Q78-M81 VanDerWaalsContact O-N 3.16Å; Q78-G82 PolarHBondContact O-N 3.49Å |
| 79 | D | 61.8 | Low | 52 | Low | 116 Ų | 116 | 121.7 Ų | 121.7 | 62% | 0.62 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -64.5 | -35 | 172.5 | -76.9 | -18.7 | 0 | 0 | 0 | 111.9 | S75 M81 G82 | S75-D79 PolarHBondContact O-N 3.01Å; D79-M81 PolarHBondContact O-N 3.43Å; D79-G82 PolarHBondContact O-N 3.27Å |
| 80 | L | 51.8 | Low | 51.7 | Low | 135 Ų | 135 | 122.9 Ų | 122.9 | 71% | 0.707 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -68.6 | -18.4 | 174.3 | -76.9 | 167.6 | 0 | 0 | 0 | 113.9 | I76 L77 Q78 | I76-L80 HydrophobicContact CG2-CD1 4.3Å; I76-L80 WeakPolarHBondContact O-CG 3.26Å; I76-L80 PolarHBondContact O-N 3.15Å; L77-L80 PolarHBondContact O-N 3.43Å; Q78-L80 VanDerWaalsContact C-N 3.31Å; Q78-L80 PolarHBondContact O-N 3.09Å |
| 81 | M | 53 | Low | 50.5 | Low | 116 Ų | 116 | 124 Ų | 124 | 57% | 0.571 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -93.3 | -13.6 | 172.3 | -67.5 | -172.8 | -69.2 | 0 | 0 | 113.3 | L77 Q78 D79 | L77-M81 PolarHBondContact O-N 2.74Å; Q78-M81 PolarHBondContact O-N 3.45Å; Q78-M81 VanDerWaalsContact O-N 3.16Å; D79-M81 PolarHBondContact O-N 3.43Å |
| 82 | G | 48.4 | Very low | 49.4 | Very low | 59 Ų | 59 | 124.2 Ų | 124.2 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -12.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q78 D79 | Q78-G82 PolarHBondContact O-N 3.49Å; D79-G82 PolarHBondContact O-N 3.27Å |
| 83 | L | 44.6 | Very low | 48.3 | Very low | 171 Ų | 171 | 123 Ų | 123 | 90% | 0.895 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 10.8 | -179.3 | -65 | 179.1 | 0 | 0 | 0 | 113.9 | ||
| 84 | A | 46.7 | Very low | 47.2 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 69% | 0.694 | 71% | 0.709 | S | S | * | * | trans | -104.9 | 27.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 85 | E | 41.9 | Very low | 45.9 | Very low | 201 Ų | 201 | 122.3 Ų | 122.3 | 94% | 0.939 | 72% | 0.718 | S | S | * | * | trans | -141.1 | 76.8 | 169.1 | -120.8 | 173.4 | -163.5 | 0 | 0 | 112.6 | ||||
| 86 | G | 34.5 | Very low | 44.4 | Very low | 72 Ų | 72 | 125 Ų | 125 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -151.6 | 105.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | H88 | G86-H88 PolarHBondContact O-N 3.48Š|
| 87 | N | 41.8 | Very low | 42.9 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -32.1 | 122 | -177 | -69.6 | -46.8 | 0 | 0 | 0 | 115.4 | ||||
| 88 | H | 34.9 | Very low | 41.3 | Very low | 196 Ų | 196 | 129 Ų | 129 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | trans | -167 | 148.1 | 134.2 | -91.5 | -57.6 | 0 | 0 | 0 | 111.5 | G86 | G86-H88 PolarHBondContact O-N 3.48Š| ||
| 89 | L | 34.5 | Very low | 39.7 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 146.8 | -176.1 | -70.2 | 147 | 0 | 0 | 0 | 112.7 | ||
| 90 | P | 36.3 | Very low | 38.4 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 135.2 | 177.3 | 33.2 | -33.1 | 0 | 0 | 0 | 112.8 | ||
| 91 | P | 30.8 | Very low | 37.3 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 134.4 | 158.8 | 32.8 | -30.1 | 0 | 0 | 0 | 110.6 | ||
| 92 | S | 31.6 | Very low | 36.2 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -93.1 | 114.3 | 178.5 | 39.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 93 | T | 34.3 | Very low | 35.2 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | trans | -144.7 | 132.6 | 167.2 | 43.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 94 | P | 36.2 | Very low | 34.6 | Very low | 101 Ų | 101 | 144.5 Ų | 144.5 | 66% | 0.656 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 168.8 | 175.1 | 34.2 | -35.6 | 0 | 0 | 0 | 112.6 | ||
| 95 | P | 33.4 | Very low | 33.7 | Very low | 121 Ų | 121 | 150 Ų | 150 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 147.5 | -175.8 | 28.6 | -36.5 | 0 | 0 | 0 | 113.2 | L97 | P95-L97 PolarHBondContact O-N 3.48Š|
| 96 | P | 34.8 | Very low | 32.9 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 119.4 | -177.9 | 31.2 | -33.1 | 0 | 0 | 0 | 112.5 | ||
| 97 | L | 35.7 | Very low | 32.6 | Very low | 155 Ų | 155 | 153.9 Ų | 153.9 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 151.3 | 149.6 | -77.7 | 162.3 | 0 | 0 | 0 | 109.4 | P95 Q99 | P95-L97 PolarHBondContact O-N 3.48Å; L97-Q99 PolarHBondContact O-N 3.3Å |
| 98 | T | 33.4 | Very low | 31.9 | Very low | 136 Ų | 136 | 156.1 Ų | 156.1 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -68.5 | 84.8 | -161.8 | -40.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 99 | Q | 32.8 | Very low | 31.6 | Very low | 134 Ų | 134 | 155.2 Ų | 155.2 | 63% | 0.626 | 82% | 0.821 | S | S | * | * | trans | -96.5 | 107.7 | 174.8 | -168 | 177.1 | 15.7 | 0 | 0 | 110.8 | L97 Q101 | L97-Q99 PolarHBondContact O-N 3.3Å; Q99-Q101 PolarHBondContact O-N 3.24Å | ||
| 100 | K | 33.9 | Very low | 31.2 | Very low | 198 Ų | 198 | 151 Ų | 151 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -83.6 | 113.8 | 175.4 | -76.6 | -178.4 | 176 | 175.8 | 0 | 111.1 | ||||
| 101 | Q | 30.4 | Very low | 30.8 | Very low | 160 Ų | 160 | 157 Ų | 157 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | trans | -107.1 | 148 | 165.9 | -71.8 | -174.3 | -15.8 | 0 | 0 | 110.9 | Q99 | Q99-Q101 PolarHBondContact O-N 3.24Š| ||
| 102 | F | 29.6 | Very low | 30.6 | Very low | 208 Ų | 208 | 157 Ų | 157 | 91% | 0.912 | 83% | 0.828 | S | S | * | * | trans | -107.9 | 128.6 | 179.8 | -116.2 | -90 | 0 | 0 | 0 | 110.2 | ||||
| 103 | T | 27.4 | Very low | 30.2 | Very low | 139 Ų | 139 | 154.6 Ų | 154.6 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -125.6 | 146.7 | 169.6 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 104 | K | 30.7 | Very low | 29.9 | Very low | 199 Ų | 199 | 157.1 Ų | 157.1 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | trans | -95.1 | 131.8 | -165.6 | 174.9 | -175.9 | -179.6 | -179.9 | 0 | 110.7 | ||||
| 105 | K | 27.6 | Very low | 29.4 | Very low | 200 Ų | 200 | 159.5 Ų | 159.5 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | -120.4 | 151.4 | 161.7 | -90.4 | -172.3 | 173.1 | -177.3 | 0 | 111.2 | ||||
| 106 | K | 26 | Very low | 29.1 | Very low | 195 Ų | 195 | 160 Ų | 160 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -97.7 | 149 | 169.2 | -73 | 178.4 | 167.3 | -171.5 | 0 | 108 | ||||
| 107 | D | 27.7 | Very low | 28.7 | Very low | 160 Ų | 160 | 158.3 Ų | 158.3 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -115.2 | 152.3 | 162.4 | -60 | -48.7 | 0 | 0 | 0 | 109.5 | ||||
| 108 | E | 26.9 | Very low | 28.2 | Very low | 203 Ų | 203 | 157.7 Ų | 157.7 | 95% | 0.949 | 81% | 0.81 | S | S | * | * | trans | -129.9 | 164.9 | 163.2 | -92.4 | -149.3 | 133 | 0 | 0 | 109.9 | ||||
| 109 | D | 28.8 | Very low | 28.1 | Very low | 177 Ų | 177 | 156.1 Ų | 156.1 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | trans | -65 | 156.4 | -159.2 | -101.1 | -49.9 | 0 | 0 | 0 | 118.5 | ||||
| 110 | G | 27.4 | Very low | 28.1 | Very low | 76 Ų | 76 | 155 Ų | 155 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -172.3 | 128.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 111 | R | 27.3 | Very low | 28.1 | Very low | 241 Ų | 241 | 150.3 Ų | 150.3 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -113.8 | 159.6 | -158.2 | 174.1 | 176 | 170.8 | 173 | -2.5 | 114.8 | ||||
| 112 | S | 26.1 | Very low | 28.1 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | trans | 87.1 | 144.5 | 164.5 | 76.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 113 | G | 24.6 | Very low | 28 | Very low | 69 Ų | 69 | 142.6 Ų | 142.6 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | cis | 172.9 | 165.1 | -9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 114 | Q | 27.8 | Very low | 28 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | 66.2 | 151.6 | 175.2 | -74.1 | -179.6 | -28.5 | 0 | 0 | 115.4 | ||||
| 115 | K | 25.8 | Very low | 28.8 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | cis | -163.6 | 160.4 | 10.5 | -129.5 | 174.3 | 166.8 | -157.4 | 0 | 110.4 | ||||
| 116 | D | 26 | Very low | 28.8 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | trans | 59.1 | 151.1 | 150.7 | -51.8 | -25.9 | 0 | 0 | 0 | 119.4 | ||||
| 117 | S | 26.6 | Very low | 28.9 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | cis | -164 | 160.4 | -20.5 | 57 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 118 | D | 25.3 | Very low | 29 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | 73.7 | 141.9 | 148.4 | -56.2 | -33.2 | 0 | 0 | 0 | 125.6 | ||||
| 119 | S | 31.7 | Very low | 29.4 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | 93.1 | 97.7 | 147.3 | -60.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 120 | S | 32.3 | Very low | 29.9 | Very low | 109 Ų | 109 | 120.2 Ų | 120.2 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | 49 | 142.7 | 100 | -57.1 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 121 | S | 33.8 | Very low | 30.1 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | cis | -171.6 | 159.8 | -2.5 | -97 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 122 | S | 30.3 | Very low | 31 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 55.7 | 130.2 | 142.5 | 63.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 123 | G | 28.1 | Very low | 31.2 | Very low | 84 Ų | 84 | 119 Ų | 119 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | trans | 164.7 | 97.2 | 153.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 124 | G | 27.6 | Very low | 31.9 | Very low | 76 Ų | 76 | 122.8 Ų | 122.8 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | -103.4 | -153.1 | 164 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 125 | P | 46.3 | Very low | 32.3 | Very low | 128 Ų | 128 | 121.1 Ų | 121.1 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | cis | -139 | -158.3 | -12.3 | 42.4 | -23.4 | 0 | 0 | 0 | 113 | ||||
| 126 | A | 27.3 | Very low | 32.8 | Very low | 86 Ų | 86 | 119.7 Ų | 119.7 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | 72 | 114.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 127 | S | 29.8 | Very low | 34.1 | Very low | 120 Ų | 120 | 120.9 Ų | 120.9 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | 90.1 | 109.4 | 60.2 | -74.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 128 | S | 30 | Very low | 35.2 | Very low | 131 Ų | 131 | 124.8 Ų | 124.8 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | -169.1 | 148 | 132.8 | 40.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 129 | N | 35 | Very low | 36.5 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | -111.1 | 153.2 | 176.6 | -142.2 | -24.9 | 0 | 0 | 0 | 106.6 | ||||
| 130 | P | 39.4 | Very low | 37.7 | Very low | 126 Ų | 126 | 121 Ų | 121 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | -149.5 | 157.1 | 94.4 | 36.1 | -17.9 | 0 | 0 | 0 | 117.1 | |||||
| 131 | K | 31.9 | Very low | 39 | Very low | 183 Ų | 183 | 119.2 Ų | 119.2 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | -71.1 | 176.2 | 162.9 | -80 | 179.5 | 173.7 | 177.4 | 0 | 111.8 | ||||
| 132 | P | 45.3 | Very low | 40.6 | Very low | 115 Ų | 115 | 119.2 Ų | 119.2 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | cis | -135.7 | 173 | 5.6 | 36.2 | -16.7 | 0 | 0 | 0 | 116.9 | ||||
| 133 | S | 30.4 | Very low | 42.1 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | trans | 143.7 | 95.5 | 132.8 | 61 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 134 | I | 38.3 | Very low | 44 | Very low | 150 Ų | 150 | 120.3 Ų | 120.3 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | 15.4 | 127.4 | 122.6 | -67.9 | 170.8 | 0 | 0 | 0 | 115.2 | |||||
| 135 | Q | 37.7 | Very low | 45.8 | Very low | 147 Ų | 147 | 122.4 Ų | 122.4 | 69% | 0.687 | 70% | 0.698 | S | S | * | * | cis | -163.3 | 138.1 | 12.6 | -119.3 | 166.3 | 24.3 | 0 | 0 | 110.3 | ||||
| 136 | T | 35.8 | Very low | 46.8 | Very low | 121 Ų | 121 | 120.8 Ų | 120.8 | 74% | 0.742 | 68% | 0.682 | S | S | * | * | trans | -153.4 | 62.8 | 146.3 | -42.7 | 0 | 0 | 0 | 0 | 110.4 | K138 | T136-K138 VanDerWaalsContact C-N 3.29Å; T136-K138 PolarHBondContact O-N 3.15Å | ||
| 137 | Q | 52.9 | Low | 48.3 | Very low | 154 Ų | 154 | 118.3 Ų | 118.3 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 71.1 | -171.7 | -67.7 | -173.3 | -40.5 | 0 | 0 | 113.6 | ||
| 138 | K | 50.1 | Low | 50.2 | Low | 173 Ų | 173 | 114.1 Ų | 114.1 | 75% | 0.752 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.8 | -4.8 | 169.8 | -117.2 | 176.1 | -174.5 | -179.3 | 0 | 116.2 | T136 I142 | T136-K138 VanDerWaalsContact C-N 3.29Å; T136-K138 PolarHBondContact O-N 3.15Å; K138-I142 VanDerWaalsContact O-CD1 3.26Å; K138-I142 WeakPolarHBondContact O-CD1 3.47Å; K138-I142 WeakPolarHBondContact O-CG1 3.44Å |
| 139 | T | 52 | Low | 51.6 | Low | 79 Ų | 79 | 113.2 Ų | 113.2 | 49% | 0.485 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -92 | -47.1 | 169.2 | 44.9 | 0 | 0 | 0 | 0 | 111 | S141 I142 D143 | T139-S141 VanDerWaalsContact C-N 3.29Å; T139-S141 PolarHBondContact O-N 3.06Å; T139-I142 WeakPolarHBondContact O-CA 3.36Å; T139-I142 WeakPolarHBondContact O-CB 3.46Å; T139-I142 PolarHBondContact O-N 3.32Å; T139-D143 PolarHBondContact O-N 3Å |
| 140 | D | 56.9 | Low | 52.8 | Low | 88 Ų | 88 | 110.1 Ų | 110.1 | 47% | 0.471 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -56.3 | -41.8 | -174.3 | -43.2 | -23.5 | 0 | 0 | 0 | 111.9 | I142 D143 D144 | D140-I142 PolarHBondContact O-N 3.3Å; D140-D143 PolarHBondContact O-N 3.42Å; D140-D144 VanDerWaalsContact O-CB 3.31Å; D140-D144 WeakPolarHBondContact O-CB 3.25Å; D140-D144 VanDerWaalsContact O-CG 3.3Å; D140-D144 PolarHBondContact O-N 2.88Å |
| 141 | S | 60.1 | Low | 54 | Low | 71 Ų | 71 | 107 Ų | 107 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.1 | -18.5 | 176.8 | -49.4 | 0 | 0 | 0 | 0 | 114.2 | T139 L145 | T139-S141 VanDerWaalsContact C-N 3.29Å; T139-S141 PolarHBondContact O-N 3.06Å; S141-L145 WeakPolarHBondContact O-CB 3.45Å; S141-L145 VanDerWaalsContact O-CD1 3.23Å; S141-L145 WeakPolarHBondContact O-CD1 3.4Å; S141-L145 WeakPolarHBondContact O-CG 3.39Å; S141-L145 PolarHBondContact O-N 3.04Å |
| 142 | I | 66.8 | Low | 55.6 | Low | 101 Ų | 101 | 102 Ų | 102 | 52% | 0.518 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -86 | -42.8 | 174 | -55.8 | 175.2 | 0 | 0 | 0 | 109 | K138 T139 D140 L145 L146 | K138-I142 VanDerWaalsContact O-CD1 3.26Å; K138-I142 WeakPolarHBondContact O-CD1 3.47Å; K138-I142 WeakPolarHBondContact O-CG1 3.44Å; T139-I142 WeakPolarHBondContact O-CA 3.36Å; T139-I142 WeakPolarHBondContact O-CB 3.46Å; T139-I142 PolarHBondContact O-N 3.32Å; D140-I142 PolarHBondContact O-N 3.3Å; I142-L145 PolarHBondContact O-N 3.49Å; I142-L146 HydrophobicContact CG2-CD1 4.04Å; I142-L146 HydrophobicContact CG2-CG 4.44Å; I142-L146 WeakPolarHBondContact O-CB 3.33Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.28Å; I142-L146 PolarHBondContact O-N 2.86Å |
| 143 | D | 62.7 | Low | 56.3 | Low | 105 Ų | 105 | 100.5 Ų | 100.5 | 56% | 0.561 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.8 | -38.8 | 175.2 | -75.9 | -54.2 | 0 | 0 | 0 | 112.5 | T139 D140 L145 L146 G147 | T139-D143 PolarHBondContact O-N 3Å; D140-D143 PolarHBondContact O-N 3.42Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 3.02Å; D143-L146 PolarHBondContact O-N 2.84Å; D143-G147 PolarHBondContact O-N 3.38Å |
| 144 | D | 67.3 | Low | 57.8 | Low | 124 Ų | 124 | 101.6 Ų | 101.6 | 66% | 0.663 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.6 | -38.3 | 172.2 | -76.6 | -29.3 | 0 | 0 | 0 | 111.8 | D140 G148 | D140-D144 VanDerWaalsContact O-CB 3.31Å; D140-D144 WeakPolarHBondContact O-CB 3.25Å; D140-D144 VanDerWaalsContact O-CG 3.3Å; D140-D144 PolarHBondContact O-N 2.88Å; D144-G148 PolarHBondContact O-N 3.46Å |
| 145 | L | 66.9 | Low | 58.9 | Low | 119 Ų | 119 | 102.1 Ų | 102.1 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.2 | -36.8 | 175.2 | -77.2 | 172.8 | 0 | 0 | 0 | 112.1 | S141 I142 D143 L149 | S141-L145 WeakPolarHBondContact O-CB 3.45Å; S141-L145 VanDerWaalsContact O-CD1 3.23Å; S141-L145 WeakPolarHBondContact O-CD1 3.4Å; S141-L145 WeakPolarHBondContact O-CG 3.39Å; S141-L145 PolarHBondContact O-N 3.04Å; I142-L145 PolarHBondContact O-N 3.49Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 3.02Å; L145-L149 WeakPolarHBondContact O-CB 3.33Å; L145-L149 VanDerWaalsContact O-CG 3.25Å; L145-L149 WeakPolarHBondContact O-CG 3.07Å; L145-L149 PolarHBondContact O-N 2.94Å |
| 146 | L | 65.3 | Low | 59.9 | Low | 95 Ų | 95 | 101.3 Ų | 101.3 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.2 | -39.7 | 174.9 | -71.8 | 170 | 0 | 0 | 0 | 111.9 | I142 D143 L149 S150 | I142-L146 HydrophobicContact CG2-CD1 4.04Å; I142-L146 HydrophobicContact CG2-CG 4.44Å; I142-L146 WeakPolarHBondContact O-CB 3.33Å; I142-L146 VanDerWaalsContact O-CG 3.26Å; I142-L146 WeakPolarHBondContact O-CG 3.28Å; I142-L146 PolarHBondContact O-N 2.86Å; D143-L146 PolarHBondContact O-N 2.84Å; L146-L149 PolarHBondContact O-N 3.22Å; L146-S150 WeakPolarHBondContact O-CB 3.14Å; L146-S150 PolarHBondContact O-N 2.95Å; L146-S150 PolarHBondContact O-OG 2.93Å |
| 147 | G | 60.8 | Low | 60.2 | Low | 34 Ų | 34 | 98.4 Ų | 98.4 | 35% | 0.351 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | D143 S150 S151 | D143-G147 PolarHBondContact O-N 3.38Å; G147-S150 PolarHBondContact O-N 3.45Å; G147-S151 WeakPolarHBondContact O-CB 3.29Å; G147-S151 PolarHBondContact O-N 2.81Å; G147-S151 PolarHBondContact O-OG 3.12Å |
| 148 | G | 67.9 | Low | 60 | Low | 31 Ų | 31 | 94.8 Ų | 94.8 | 32% | 0.32 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.1 | -50.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D144 S150 S151 D152 | D144-G148 PolarHBondContact O-N 3.46Å; G148-S150 VanDerWaalsContact C-N 3.31Å; G148-S150 PolarHBondContact O-N 3.27Å; G148-S151 PolarHBondContact O-N 2.97Å; G148-S151 VanDerWaalsContact O-N 3.15Å; G148-D152 PolarHBondContact O-N 3.35Å |
| 149 | L | 60.1 | Low | 59.6 | Low | 112 Ų | 112 | 95.8 Ų | 95.8 | 59% | 0.586 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.5 | -37 | 177.5 | -71.7 | 170.2 | 0 | 0 | 0 | 112.5 | L145 L146 L153 | L145-L149 WeakPolarHBondContact O-CB 3.33Å; L145-L149 VanDerWaalsContact O-CG 3.25Å; L145-L149 WeakPolarHBondContact O-CG 3.07Å; L145-L149 PolarHBondContact O-N 2.94Å; L146-L149 PolarHBondContact O-N 3.22Å; L149-L153 WeakPolarHBondContact O-CB 3.41Å; L149-L153 WeakPolarHBondContact O-CG 3.02Å; L149-L153 PolarHBondContact O-N 3.5Å; L149-L153 VanDerWaalsContact O-N 3.09Å |
| 150 | S | 60.8 | Low | 59.5 | Low | 72 Ų | 72 | 96.1 Ų | 96.1 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 173.7 | -58 | 0 | 0 | 0 | 0 | 111.7 | L146 G147 G148 L153 E154 | L146-S150 WeakPolarHBondContact O-CB 3.14Å; L146-S150 PolarHBondContact O-N 2.95Å; L146-S150 PolarHBondContact O-OG 2.93Å; G147-S150 PolarHBondContact O-N 3.45Å; G148-S150 VanDerWaalsContact C-N 3.31Å; G148-S150 PolarHBondContact O-N 3.27Å; S150-L153 PolarHBondContact O-N 3.26Å; S150-E154 PolarHBondContact O-N 2.82Å |
| 151 | S | 64.6 | Low | 59.3 | Low | 60 Ų | 60 | 96.6 Ų | 96.6 | 42% | 0.42 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.9 | -35.4 | 179.9 | -56.9 | 0 | 0 | 0 | 0 | 113.2 | G147 G148 E154 K155 | G147-S151 WeakPolarHBondContact O-CB 3.29Å; G147-S151 PolarHBondContact O-N 2.81Å; G147-S151 PolarHBondContact O-OG 3.12Å; G148-S151 PolarHBondContact O-N 2.97Å; G148-S151 VanDerWaalsContact O-N 3.15Å; S151-E154 PolarHBondContact O-N 3.04Å; S151-K155 PolarHBondContact O-N 3.17Å |
| 152 | D | 65.5 | Low | 59.3 | Low | 79 Ų | 79 | 96 Ų | 96 | 42% | 0.422 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -79.6 | -28.2 | 178.1 | -73.2 | -23.6 | 0 | 0 | 0 | 112.5 | G148 E154 K155 I156 | G148-D152 PolarHBondContact O-N 3.35Å; D152-E154 VanDerWaalsContact C-N 3.31Å; D152-E154 PolarHBondContact O-N 3.27Å; D152-K155 PolarHBondContact O-N 3.04Å; D152-K155 IonicContact OD1-NZ 2.83Å; D152-K155 PolarHBondContact OD1-NZ 3.04Å; D152-I156 WeakPolarHBondContact O-CD1 3.34Å; D152-I156 WeakPolarHBondContact O-CG1 3.34Å; D152-I156 PolarHBondContact O-N 2.98Å; D152-I156 VanDerWaalsContact O-N 3.15Å |
| 153 | L | 60.2 | Low | 59.3 | Low | 83 Ų | 83 | 96.9 Ų | 96.9 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 167 | -81.8 | 165.9 | 0 | 0 | 0 | 112.2 | L149 S150 I156 V158 | L149-L153 WeakPolarHBondContact O-CB 3.41Å; L149-L153 WeakPolarHBondContact O-CG 3.02Å; L149-L153 PolarHBondContact O-N 3.5Å; L149-L153 VanDerWaalsContact O-N 3.09Å; S150-L153 PolarHBondContact O-N 3.26Å; L153-I156 PolarHBondContact O-N 2.96Å; L153-V158 PolarHBondContact O-N 3.47Å |
| 154 | E | 61 | Low | 60.1 | Low | 135 Ų | 135 | 93.2 Ų | 93.2 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.8 | -37.1 | 173.6 | -69.6 | -167.3 | 147.2 | 0 | 0 | 112.8 | S150 S151 D152 I156 G157 | S150-E154 PolarHBondContact O-N 2.82Å; S151-E154 PolarHBondContact O-N 3.04Å; D152-E154 VanDerWaalsContact C-N 3.31Å; D152-E154 PolarHBondContact O-N 3.27Å; E154-I156 PolarHBondContact O-N 3.39Å; E154-G157 PolarHBondContact O-N 3.02Å |
| 155 | K | 61.8 | Low | 61.1 | Low | 162 Ų | 162 | 92.9 Ų | 92.9 | 70% | 0.704 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.6 | -27.6 | 177.2 | -73.8 | 178.8 | -163.9 | 147.1 | 0 | 114.2 | S151 D152 G157 | S151-K155 PolarHBondContact O-N 3.17Å; D152-K155 PolarHBondContact O-N 3.04Å; D152-K155 IonicContact OD1-NZ 2.83Å; D152-K155 PolarHBondContact OD1-NZ 3.04Å; K155-G157 PolarHBondContact O-N 3.35Å |
| 156 | I | 57.7 | Low | 62.1 | Low | 129 Ų | 129 | 87.2 Ų | 87.2 | 66% | 0.662 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 1.6 | 176.4 | -61.9 | 162.3 | 0 | 0 | 0 | 110.9 | D152 L153 E154 V158 | D152-I156 WeakPolarHBondContact O-CD1 3.34Å; D152-I156 WeakPolarHBondContact O-CG1 3.34Å; D152-I156 PolarHBondContact O-N 2.98Å; D152-I156 VanDerWaalsContact O-N 3.15Å; L153-I156 PolarHBondContact O-N 2.96Å; E154-I156 PolarHBondContact O-N 3.39Å; I156-V158 HydrophobicContact CG2-CG2 4.24Å; I156-V158 PolarHBondContact O-N 3.42Å |
| 157 | G | 43.5 | Very low | 63.1 | Low | 61 Ų | 61 | 84 Ų | 84 | 63% | 0.629 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -0.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E154 K155 R159 | E154-G157 PolarHBondContact O-N 3.02Å; K155-G157 PolarHBondContact O-N 3.35Å; G157-R159 PolarHBondContact O-N 3.15Å |
| 158 | V | 47.9 | Very low | 64.4 | Low | 77 Ų | 77 | 85.2 Ų | 85.2 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | trans | -82.9 | 68.1 | 174.3 | -169.1 | 0 | 0 | 0 | 0 | 108.8 | L153 I156 T160 | L153-V158 PolarHBondContact O-N 3.47Å; I156-V158 HydrophobicContact CG2-CG2 4.24Å; I156-V158 PolarHBondContact O-N 3.42Å; V158-T160 VanDerWaalsContact C-N 3.3Å; V158-T160 HydrophobicContact CG1-CG2 4.13Å; V158-T160 PolarHBondContact O-N 2.99Å | ||
| 159 | R | 42.6 | Very low | 65.4 | Low | 194 Ų | 194 | 85.6 Ų | 85.6 | 73% | 0.732 | 48% | 0.483 | S | S | * | . | trans | -62.9 | 92.1 | 167.1 | -80.2 | -177.7 | 157.4 | -175.2 | -6.8 | 109.2 | G157 T161 | G157-R159 PolarHBondContact O-N 3.15Å; R159-T161 HydrophobicContact CB-CG2 4.4Å; R159-T161 PolarHBondContact O-N 3.37Å | ||
| 160 | T | 49.1 | Very low | 66.7 | Low | 87 Ų | 87 | 86.3 Ų | 86.3 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | trans | -73.5 | 66.2 | 165 | 56.8 | 0 | 0 | 0 | 0 | 109.2 | V158 A162 V174 | V158-T160 VanDerWaalsContact C-N 3.3Å; V158-T160 HydrophobicContact CG1-CG2 4.13Å; V158-T160 PolarHBondContact O-N 2.99Å; T160-A162 PolarHBondContact O-N 3.05Å; T160-V174 HydrophobicContact CG2-CG1 4.26Å | ||
| 161 | T | 53.8 | Low | 67.9 | Low | 97 Ų | 97 | 89.9 Ų | 89.9 | 60% | 0.595 | 49% | 0.494 | S | S | * | . | trans | -60.4 | 106.5 | 168.9 | 44.5 | 0 | 0 | 0 | 0 | 107.5 | R159 K163 | R159-T161 HydrophobicContact CB-CG2 4.4Å; R159-T161 PolarHBondContact O-N 3.37Å; T161-K163 WeakPolarHBondContact O-CG 3.33Å; T161-K163 PolarHBondContact O-N 3.25Å | ||
| 162 | A | 58.3 | Low | 68.8 | Low | 60 Ų | 60 | 90 Ų | 90 | 50% | 0.496 | 49% | 0.494 | S | S | . | . | trans | -60.8 | 112.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108 | T160 G164 C172 | T160-A162 PolarHBondContact O-N 3.05Å; A162-G164 PolarHBondContact O-N 2.84Å; A162-C172 HydrophobicContact CB-CB 4.28Å | ||
| 163 | K | 67.1 | Low | 69.7 | Low | 118 Ų | 118 | 86.3 Ų | 86.3 | 51% | 0.513 | 47% | 0.474 | S | S | . | . | trans | -81.8 | 31 | -171.6 | -58.8 | -178.7 | -178.4 | 164.7 | 0 | 112.8 | T161 M177 | T161-K163 WeakPolarHBondContact O-CG 3.33Å; T161-K163 PolarHBondContact O-N 3.25Å; K163-M177 HydrophobicContact CB-SD 3.34Å; K163-M177 WeakPolarHBondContact CB-SD 3.47Å; K163-M177 HydrophobicContact CD-CG 4.29Å; K163-M177 HydrophobicContact CD-SD 3.47Å; K163-M177 WeakPolarHBondContact CD-SD 3.34Å; K163-M177 HydrophobicContact CG-SD 4.02Å | ||
| 164 | G | 80.8 | Confident | 70.7 | Confident | 28 Ų | 28 | 87.2 Ų | 87.2 | 29% | 0.289 | 48% | 0.483 | S | S | . | . | trans | 104.5 | 173 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A162 I173 | A162-G164 PolarHBondContact O-N 2.84Å; G164-I173 PolarHBondContact O-N 3.3Å | ||
| 165 | H | 87.8 | Confident | 71.6 | Confident | 118 Ų | 118 | 83.2 Ų | 83.2 | 55% | 0.546 | 48% | 0.477 | S | S | . | . | B | Isolated β-bridge | trans | -96 | 139.1 | 177.3 | -61.5 | 88.5 | 0 | 0 | 0 | 110 | A167 N170 C172 V184 | H165-A167 PolarHBondContact O-N 2.87Å; H165-N170 PolarHBondContact CD2-O 3.02Å; H165-C172 VanDerWaalsContact CD2-SG 3.59Å; H165-C172 PolarHBondContact NE2-SG 3.12Å; H165-C172 VanDerWaalsContact NE2-SG 3.43Å; H165-V184 WeakPolarHBondContact O-CG2 3.49Å |
| 166 | C | 88.4 | Confident | 72.5 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 48% | 0.476 | C | S | . | . | trans | -73.1 | 123 | -178.4 | 174.1 | 0 | 0 | 0 | 0 | 112.8 | A168 C169 N170 K171 I173 V184 H186 | C166-A168 PolarHBondContact O-N 2.92Å; C166-C169 PolarHBondContact O-N 3.22Å; C166-N170 WeakPolarHBondContact O-CA 3.26Å; C166-N170 PolarHBondContact O-N 3.21Å; C166-K171 PolarHBondContact N-O 3.33Å; C166-I173 HydrophobicContact CB-CD1 3.94Å; C166-I173 HydrophobicContact CB-CG1 3.78Å; C166-V184 VanDerWaalsContact CA-O 3.28Å; C166-V184 WeakPolarHBondContact CA-O 3.45Å; C166-H186 WeakPolarHBondContact CB-ND1 3.32Å; C166-H186 PolarHBondContact SG-N 3.44Å; C166-H186 PolarHBondContact SG-ND1 3.03Å | ||
| 167 | A | 86.1 | Confident | 73.8 | Confident | 27 Ų | 27 | 79 Ų | 79 | 22% | 0.223 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44.1 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | H165 E183 V184 W185 | H165-A167 PolarHBondContact O-N 2.87Å; A167-E183 HydrophobicContact CB-CB 4.02Å; A167-E183 WeakPolarHBondContact CB-OE2 3.24Å; A167-V184 PolarHBondContact N-O 3.09Å; A167-W185 HydrophobicContact CB-CD2 3.77Å; A167-W185 HydrophobicContact CB-CE3 3.88Å; A167-W185 HydrophobicContact CB-CH2 3.57Å; A167-W185 HydrophobicContact CB-CZ2 3.45Å; A167-W185 VanDerWaalsContact CB-CZ2 3.45Å; A167-W185 HydrophobicContact CB-CZ3 3.8Å |
| 168 | A | 87.6 | Confident | 75.8 | Confident | 59 Ų | 59 | 77.4 Ų | 77.4 | 49% | 0.488 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -27.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | C166 W185 H189 | C166-A168 PolarHBondContact O-N 2.92Å; A168-W185 HydrophobicContact CB-CE3 4.05Å; A168-W185 HydrophobicContact CB-CZ3 3.9Å; A168-H189 HydrophobicContact CB-CB 3.71Å |
| 169 | C | 89.8 | Confident | 77.7 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 26% | 0.264 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135 | -1.7 | -169.3 | 72 | 0 | 0 | 0 | 0 | 114.9 | C166 K171 H186 H189 | C166-C169 PolarHBondContact O-N 3.22Å; C169-K171 PolarHBondContact O-N 2.95Å; C169-H186 PolarHBondContact SG-ND1 3.47Å; C169-H189 VanDerWaalsContact SG-CE1 3.53Å |
| 170 | N | 86.3 | Confident | 79.7 | Confident | 127 Ų | 127 | 69.6 Ų | 69.6 | 68% | 0.679 | 41% | 0.408 | S | S | * | . | trans | 53.1 | 15.9 | -177.1 | -66.1 | -31.8 | 0 | 0 | 0 | 116.1 | H165 C166 | H165-N170 PolarHBondContact CD2-O 3.02Å; C166-N170 WeakPolarHBondContact O-CA 3.26Å; C166-N170 PolarHBondContact O-N 3.21Å | ||
| 171 | K | 85.6 | Confident | 81.4 | Confident | 148 Ų | 148 | 67.2 Ų | 67.2 | 64% | 0.643 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -89.7 | 143.8 | 174.8 | -62.3 | 177.8 | -175.7 | 180 | 0 | 111 | C166 C169 I173 | C166-K171 PolarHBondContact N-O 3.33Å; C169-K171 PolarHBondContact O-N 2.95Å; K171-I173 PolarHBondContact O-N 3.3Å |
| 172 | C | 84.8 | Confident | 82.8 | Confident | 62 Ų | 62 | 66.4 Ų | 66.4 | 42% | 0.419 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -56.2 | 131.3 | 173.2 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | A162 H165 | A162-C172 HydrophobicContact CB-CB 4.28Å; H165-C172 VanDerWaalsContact CD2-SG 3.59Å; H165-C172 PolarHBondContact NE2-SG 3.12Å; H165-C172 VanDerWaalsContact NE2-SG 3.43Å |
| 173 | I | 83.8 | Confident | 84.2 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 119.6 | 176.8 | -52.8 | 165.1 | 0 | 0 | 0 | 109.5 | G164 C166 K171 M177 V184 W185 | G164-I173 PolarHBondContact O-N 3.3Å; C166-I173 HydrophobicContact CB-CD1 3.94Å; C166-I173 HydrophobicContact CB-CG1 3.78Å; K171-I173 PolarHBondContact O-N 3.3Å; I173-M177 HydrophobicContact CD1-CB 4.3Å; I173-M177 HydrophobicContact CG2-CB 3.81Å; I173-V184 HydrophobicContact CD1-CB 3.84Å; I173-V184 HydrophobicContact CD1-CG2 3.68Å; I173-W185 VanDerWaalsContact CD1-C 3.49Å |
| 174 | V | 81.4 | Confident | 85.3 | Confident | 102 Ų | 102 | 64.4 Ų | 64.4 | 62% | 0.618 | 39% | 0.386 | S | S | * | . | trans | -108.1 | 124.2 | 174.9 | -174.2 | 0 | 0 | 0 | 0 | 109 | T160 | T160-V174 HydrophobicContact CG2-CG1 4.26Š| ||
| 175 | G | 80.6 | Confident | 85.7 | Confident | 50 Ų | 50 | 64.8 Ų | 64.8 | 52% | 0.515 | 38% | 0.379 | S | S | . | . | S | Bend | trans | 95 | -118.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 176 | K | 79.9 | Confident | 85.7 | Confident | 153 Ų | 153 | 61.1 Ų | 61.1 | 67% | 0.665 | 36% | 0.362 | S | S | * | . | trans | -85.3 | 128.2 | -177 | -170.4 | -176.3 | 179 | -169.4 | 0 | 110 | P187 | K176-P187 HydrophobicContact CG-CG 4.38Å; K176-P187 WeakPolarHBondContact O-CD 3.39Å | ||
| 177 | M | 84.8 | Confident | 85.7 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | trans | -129.6 | 163.2 | -177.4 | 58.7 | 170.5 | -72.5 | 0 | 0 | 110.5 | K163 I173 T179 V184 | K163-M177 HydrophobicContact CB-SD 3.34Å; K163-M177 WeakPolarHBondContact CB-SD 3.47Å; K163-M177 HydrophobicContact CD-CG 4.29Å; K163-M177 HydrophobicContact CD-SD 3.47Å; K163-M177 WeakPolarHBondContact CD-SD 3.34Å; K163-M177 HydrophobicContact CG-SD 4.02Å; I173-M177 HydrophobicContact CD1-CB 4.3Å; I173-M177 HydrophobicContact CG2-CB 3.81Å; M177-T179 WeakPolarHBondContact CE-OG1 3.5Å; M177-V184 HydrophobicContact CE-CB 3.92Å; M177-V184 HydrophobicContact CE-CG1 3.41Å; M177-V184 VanDerWaalsContact CE-CG1 3.41Å | ||
| 178 | I | 86.3 | Confident | 85.8 | Confident | 28 Ų | 28 | 67.9 Ų | 67.9 | 14% | 0.144 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.4 | 168.4 | -60.2 | 172.5 | 0 | 0 | 0 | 107.9 | A180 V184 W185 P187 F190 | I178-A180 HydrophobicContact CG2-CB 3.97Å; I178-V184 CarbonylContact O-C 3.57Å; I178-V184 WeakPolarHBondContact O-CA 3.35Å; I178-W185 HydrophobicContact CB-CB 4.44Å; I178-W185 PolarHBondContact N-O 3.47Å; I178-W185 PolarHBondContact O-N 2.84Å; I178-P187 HydrophobicContact CD1-CB 4.25Å; I178-P187 HydrophobicContact CG1-CG 4.49Å; I178-F190 HydrophobicContact CD1-CB 3.8Å; I178-F190 HydrophobicContact CD1-CD1 4.06Å; I178-F190 HydrophobicContact CD1-CG 4.2Å; I178-F190 HydrophobicContact CG2-CD1 4.24Å; I178-F190 HydrophobicContact CG2-CG 4.37Å |
| 179 | T | 87.8 | Confident | 85.8 | Confident | 99 Ų | 99 | 68.7 Ų | 68.7 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 114.5 | 165.8 | -50.3 | 0 | 0 | 0 | 0 | 108.3 | M177 E183 | M177-T179 WeakPolarHBondContact CE-OG1 3.5Å; T179-E183 WeakPolarHBondContact CA-O 3.28Å |
| 180 | A | 84.6 | Confident | 85.9 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 149.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | I178 G182 E183 W185 F190 F204 | I178-A180 HydrophobicContact CG2-CB 3.97Å; A180-G182 PolarHBondContact O-N 3.5Å; A180-E183 PolarHBondContact N-O 3.09Å; A180-E183 CarbonylContact O-C 3.53Å; A180-E183 PolarHBondContact O-N 3.45Å; A180-W185 PolarHBondContact O-NE1 2.92Å; A180-F190 HydrophobicContact CB-CD2 4.28Å; A180-F190 HydrophobicContact CB-CE1 4.23Å; A180-F190 HydrophobicContact CB-CE2 3.53Å; A180-F190 HydrophobicContact CB-CZ 3.51Å; A180-F204 HydrophobicContact CB-CE1 4.28Å; A180-F204 HydrophobicContact CB-CZ 3.88Å |
| 181 | L | 84.6 | Confident | 86.2 | Confident | 37 Ų | 37 | 62.4 Ų | 62.4 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 27.6 | -179.9 | -44.8 | 173.7 | 0 | 0 | 0 | 113.3 | E183 W185 F190 F204 E206 P211 | L181-E183 PolarHBondContact O-N 3.35Å; L181-W185 HydrophobicContact CD1-CZ2 4.1Å; L181-F190 HydrophobicContact CD1-CE2 4.1Å; L181-F190 HydrophobicContact CG-CE2 4.35Å; L181-F204 HydrophobicContact CD2-CE2 3.93Å; L181-E206 HydrophobicContact CD2-CB 3.77Å; L181-E206 HydrophobicContact CD2-CG 3.53Å; L181-E206 WeakPolarHBondContact CD2-OE2 3.4Å; L181-P211 HydrophobicContact CD1-CB 4.13Å; L181-P211 HydrophobicContact CD1-CG 4.08Å |
| 182 | G | 82.9 | Confident | 86.6 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 83% | 0.825 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -11.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A180 | A180-G182 PolarHBondContact O-N 3.5Š|
| 183 | E | 87.7 | Confident | 86.9 | Confident | 107 Ų | 107 | 55.8 Ų | 55.8 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 173.4 | -176.5 | -65.2 | -163.6 | -147.7 | 0 | 0 | 113.1 | A167 T179 A180 L181 | A167-E183 HydrophobicContact CB-CB 4.02Å; A167-E183 WeakPolarHBondContact CB-OE2 3.24Å; T179-E183 WeakPolarHBondContact CA-O 3.28Å; A180-E183 PolarHBondContact N-O 3.09Å; A180-E183 CarbonylContact O-C 3.53Å; A180-E183 PolarHBondContact O-N 3.45Å; L181-E183 PolarHBondContact O-N 3.35Å |
| 184 | V | 88.8 | Confident | 87.3 | Confident | 28 Ų | 28 | 59.3 Ų | 59.3 | 17% | 0.17 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 141 | 176.8 | -57.9 | 0 | 0 | 0 | 0 | 111.1 | H165 C166 A167 I173 M177 I178 | H165-V184 WeakPolarHBondContact O-CG2 3.49Å; C166-V184 VanDerWaalsContact CA-O 3.28Å; C166-V184 WeakPolarHBondContact CA-O 3.45Å; A167-V184 PolarHBondContact N-O 3.09Å; I173-V184 HydrophobicContact CD1-CB 3.84Å; I173-V184 HydrophobicContact CD1-CG2 3.68Å; M177-V184 HydrophobicContact CE-CB 3.92Å; M177-V184 HydrophobicContact CE-CG1 3.41Å; M177-V184 VanDerWaalsContact CE-CG1 3.41Å; I178-V184 CarbonylContact O-C 3.57Å; I178-V184 WeakPolarHBondContact O-CA 3.35Å |
| 185 | W | 90.2 | Very high | 87.9 | Confident | 36 Ų | 36 | 57.4 Ų | 57.4 | 14% | 0.136 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 142.9 | -171.8 | -54.5 | 76.7 | 0 | 0 | 0 | 111.2 | A167 A168 I173 I178 A180 L181 F190 | A167-W185 HydrophobicContact CB-CD2 3.77Å; A167-W185 HydrophobicContact CB-CE3 3.88Å; A167-W185 HydrophobicContact CB-CH2 3.57Å; A167-W185 HydrophobicContact CB-CZ2 3.45Å; A167-W185 VanDerWaalsContact CB-CZ2 3.45Å; A167-W185 HydrophobicContact CB-CZ3 3.8Å; A168-W185 HydrophobicContact CB-CE3 4.05Å; A168-W185 HydrophobicContact CB-CZ3 3.9Å; I173-W185 VanDerWaalsContact CD1-C 3.49Å; I178-W185 HydrophobicContact CB-CB 4.44Å; I178-W185 PolarHBondContact N-O 3.47Å; I178-W185 PolarHBondContact O-N 2.84Å; A180-W185 PolarHBondContact O-NE1 2.92Å; L181-W185 HydrophobicContact CD1-CZ2 4.1Å; W185-F190 HydrophobicContact CB-CB 3.96Å; W185-F190 HydrophobicContact CB-CD2 4.18Å; W185-F190 HydrophobicContact CB-CG 4.42Å; W185-F190 AromaticContact CD2-CD2 3.78Å; W185-F190 HydrophobicContact CD2-CD2 3.78Å; W185-F190 HydrophobicContact CD2-CE2 4.5Å; W185-F190 HydrophobicContact CE3-CD2 4.2Å; W185-F190 HydrophobicContact CG-CB 4.41Å; W185-F190 AromaticContact CG-CD2 3.73Å; W185-F190 HydrophobicContact CG-CD2 3.73Å; W185-F190 HydrophobicContact CG-CG 4.44Å |
| 186 | H | 88.8 | Confident | 88.4 | Confident | 41 Ų | 41 | 61 Ų | 61 | 19% | 0.19 | 33% | 0.33 | C | S | . | . | trans | -63.9 | 140.2 | 160.6 | -71.8 | 100.5 | 0 | 0 | 0 | 108.7 | C166 C169 E188 H189 F190 | C166-H186 WeakPolarHBondContact CB-ND1 3.32Å; C166-H186 PolarHBondContact SG-N 3.44Å; C166-H186 PolarHBondContact SG-ND1 3.03Å; C169-H186 PolarHBondContact SG-ND1 3.47Å; H186-E188 PolarHBondContact O-N 3.14Å; H186-H189 HydrophobicContact CB-CB 4.22Å; H186-H189 AromaticContact CG-ND1 3.87Å; H186-H189 AromaticContact ND1-ND1 3.58Å; H186-H189 PolarHBondContact O-N 3.21Å; H186-F190 PolarHBondContact O-N 3.22Å; H186-F190 VanDerWaalsContact O-N 3.12Å | ||
| 187 | P | 86.9 | Confident | 88.9 | Confident | 26 Ų | 26 | 59.8 Ų | 59.8 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -37.9 | 178.4 | -28.9 | 36.2 | 0 | 0 | 0 | 114.3 | K176 I178 | K176-P187 HydrophobicContact CG-CG 4.38Å; K176-P187 WeakPolarHBondContact O-CD 3.39Å; I178-P187 HydrophobicContact CD1-CB 4.25Å; I178-P187 HydrophobicContact CG1-CG 4.49Å |
| 188 | E | 88.1 | Confident | 89.2 | Confident | 144 Ų | 144 | 62.1 Ų | 62.1 | 67% | 0.673 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -22.8 | 178.8 | -63.1 | 167.7 | -164.7 | 0 | 0 | 113.7 | H186 V191 | H186-E188 PolarHBondContact O-N 3.14Å; E188-V191 VanDerWaalsContact O-CG1 3.29Å; E188-V191 WeakPolarHBondContact O-CG1 3.16Å |
| 189 | H | 88.8 | Confident | 89.4 | Confident | 75 Ų | 75 | 61 Ų | 61 | 35% | 0.347 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -13.5 | 179.1 | -63.1 | 150.3 | 0 | 0 | 0 | 113.2 | A168 C169 H186 V191 | A168-H189 HydrophobicContact CB-CB 3.71Å; C169-H189 VanDerWaalsContact SG-CE1 3.53Å; H186-H189 HydrophobicContact CB-CB 4.22Å; H186-H189 AromaticContact CG-ND1 3.87Å; H186-H189 AromaticContact ND1-ND1 3.58Å; H186-H189 PolarHBondContact O-N 3.21Å; H189-V191 PolarHBondContact O-N 3.48Å |
| 190 | F | 91.7 | Very high | 89 | Confident | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 31% | 0.312 | C | S | . | . | trans | -83.4 | 73.8 | 173.5 | -164.9 | -109.3 | 0 | 0 | 0 | 110.2 | I178 A180 L181 W185 H186 L199 F204 P211 | I178-F190 HydrophobicContact CD1-CB 3.8Å; I178-F190 HydrophobicContact CD1-CD1 4.06Å; I178-F190 HydrophobicContact CD1-CG 4.2Å; I178-F190 HydrophobicContact CG2-CD1 4.24Å; I178-F190 HydrophobicContact CG2-CG 4.37Å; A180-F190 HydrophobicContact CB-CD2 4.28Å; A180-F190 HydrophobicContact CB-CE1 4.23Å; A180-F190 HydrophobicContact CB-CE2 3.53Å; A180-F190 HydrophobicContact CB-CZ 3.51Å; L181-F190 HydrophobicContact CD1-CE2 4.1Å; L181-F190 HydrophobicContact CG-CE2 4.35Å; W185-F190 HydrophobicContact CB-CB 3.96Å; W185-F190 HydrophobicContact CB-CD2 4.18Å; W185-F190 HydrophobicContact CB-CG 4.42Å; W185-F190 AromaticContact CD2-CD2 3.78Å; W185-F190 HydrophobicContact CD2-CD2 3.78Å; W185-F190 HydrophobicContact CD2-CE2 4.5Å; W185-F190 HydrophobicContact CE3-CD2 4.2Å; W185-F190 HydrophobicContact CG-CB 4.41Å; W185-F190 AromaticContact CG-CD2 3.73Å; W185-F190 HydrophobicContact CG-CD2 3.73Å; W185-F190 HydrophobicContact CG-CG 4.44Å; H186-F190 PolarHBondContact O-N 3.22Å; H186-F190 VanDerWaalsContact O-N 3.12Å; F190-L199 HydrophobicContact CD1-CB 3.68Å; F190-L199 HydrophobicContact CE1-CB 3.66Å; F190-L199 PolarHBondContact O-N 3.25Å; F190-F204 AromaticContact CE1-CD1 3.59Å; F190-F204 HydrophobicContact CE1-CD1 3.59Å; F190-F204 HydrophobicContact CE1-CD2 4.47Å; F190-F204 AromaticContact CE1-CE1 3.77Å; F190-F204 HydrophobicContact CE1-CE1 3.77Å; F190-F204 AromaticContact CE1-CG 3.98Å; F190-F204 HydrophobicContact CE1-CG 3.98Å; F190-F204 HydrophobicContact CE1-CZ 4.31Å; F190-F204 AromaticContact CZ-CD1 3.81Å; F190-F204 HydrophobicContact CZ-CD1 3.81Å; F190-F204 AromaticContact CZ-CD2 3.95Å; F190-F204 HydrophobicContact CZ-CD2 3.95Å; F190-F204 AromaticContact CZ-CE1 3.72Å; F190-F204 HydrophobicContact CZ-CE1 3.72Å; F190-F204 AromaticContact CZ-CE2 3.89Å; F190-F204 HydrophobicContact CZ-CE2 3.89Å; F190-F204 AromaticContact CZ-CG 3.93Å; F190-F204 HydrophobicContact CZ-CG 3.93Å; F190-F204 AromaticContact CZ-CZ 3.77Å; F190-F204 HydrophobicContact CZ-CZ 3.77Å; F190-P211 HydrophobicContact CD2-CG 4.45Å; F190-P211 HydrophobicContact CE2-CB 3.85Å; F190-P211 HydrophobicContact CE2-CG 3.99Å; F190-P211 HydrophobicContact CZ-CB 3.82Å; F190-P211 HydrophobicContact CZ-CG 4.43Å | ||
| 191 | V | 92.6 | Very high | 88.7 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -115.2 | 153.5 | -175.1 | -64 | 0 | 0 | 0 | 0 | 111.6 | E188 H189 M193 K196 K197 E198 | E188-V191 VanDerWaalsContact O-CG1 3.29Å; E188-V191 WeakPolarHBondContact O-CG1 3.16Å; H189-V191 PolarHBondContact O-N 3.48Å; V191-M193 PolarHBondContact O-N 2.96Å; V191-K196 WeakPolarHBondContact CB-O 3.39Å; V191-K196 WeakPolarHBondContact CG1-O 3.32Å; V191-K196 HydrophobicContact CG2-CD 4.29Å; V191-K197 CarbonylContact C-O 3.6Å; V191-K197 VanDerWaalsContact CA-O 3.26Å; V191-K197 WeakPolarHBondContact CA-O 3.44Å; V191-E198 HydrophobicContact CG1-CG 4.13Å |
| 192 | C | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -58.8 | 132.6 | 172.7 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | V194 K196 K197 L199 P211 C213 D216 | C192-V194 PolarHBondContact O-N 3.18Å; C192-V194 VanDerWaalsContact O-N 3.15Å; C192-V194 PolarHBondContact SG-N 3.43Å; C192-V194 VanDerWaalsContact SG-N 3.42Å; C192-K196 VanDerWaalsContact O-CA 3.24Å; C192-K196 WeakPolarHBondContact O-CA 3.23Å; C192-K196 PolarHBondContact O-N 3.42Å; C192-K197 PolarHBondContact N-O 3.12Å; C192-L199 HydrophobicContact CB-CD1 4.02Å; C192-L199 HydrophobicContact CB-CD2 4.45Å; C192-L199 HydrophobicContact CB-CG 4.35Å; C192-P211 WeakPolarHBondContact CA-O 3.4Å; C192-C213 HydrophobicContact CB-CB 4.04Å; C192-C213 PolarHBondContact SG-N 3.33Å; C192-D216 PolarHBondContact SG-OD2 2.88Å | ||
| 193 | M | 91.5 | Very high | 88.5 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 35% | 0.345 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -35.9 | 177.2 | -86.2 | -62.3 | -61.7 | 0 | 0 | 114.3 | V191 K196 R210 P211 Y212 | V191-M193 PolarHBondContact O-N 2.96Å; M193-K196 PolarHBondContact O-NZ 3.45Å; M193-R210 HydrophobicContact CG-CB 3.86Å; M193-R210 HydrophobicContact CG-CG 4.22Å; M193-P211 PolarHBondContact N-O 2.87Å; M193-Y212 HydrophobicContact CB-CD1 4.45Å; M193-Y212 HydrophobicContact CB-CE1 4.05Å |
| 194 | V | 92.8 | Very high | 88.7 | Confident | 76 Ų | 76 | 61.1 Ų | 61.1 | 46% | 0.461 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -72.4 | -174.5 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | C192 K196 Y212 D216 L220 | C192-V194 PolarHBondContact O-N 3.18Å; C192-V194 VanDerWaalsContact O-N 3.15Å; C192-V194 PolarHBondContact SG-N 3.43Å; C192-V194 VanDerWaalsContact SG-N 3.42Å; V194-K196 VanDerWaalsContact C-N 3.34Å; V194-K196 PolarHBondContact O-N 2.96Å; V194-Y212 HydrophobicContact CG2-CD1 3.97Å; V194-Y212 HydrophobicContact CG2-CE1 3.9Å; V194-D216 HydrophobicContact CB-CB 4Å; V194-D216 HydrophobicContact CG1-CB 4.38Å; V194-D216 HydrophobicContact CG2-CB 4.16Å; V194-L220 HydrophobicContact CG2-CD1 3.71Å |
| 195 | C | 93.3 | Very high | 88.8 | Confident | 63 Ų | 63 | 63 Ų | 63 | 43% | 0.426 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -1.5 | -174.3 | 71.2 | 0 | 0 | 0 | 0 | 115.8 | K197 D216 | C195-K197 PolarHBondContact O-N 2.91Å; C195-K197 VanDerWaalsContact SG-CB 3.53Å; C195-D216 WeakPolarHBondContact CB-OD2 3.34Å; C195-D216 PolarHBondContact N-OD2 3.26Å; C195-D216 PolarHBondContact SG-OD2 3.24Å |
| 196 | K | 91 | Very high | 88.9 | Confident | 125 Ų | 125 | 66.4 Ų | 66.4 | 54% | 0.543 | 35% | 0.347 | S | S | . | . | trans | 56 | 15.4 | -176.4 | -53.1 | -52.4 | -173 | -162 | 0 | 115.9 | V191 C192 M193 V194 | V191-K196 WeakPolarHBondContact CB-O 3.39Å; V191-K196 WeakPolarHBondContact CG1-O 3.32Å; V191-K196 HydrophobicContact CG2-CD 4.29Å; C192-K196 VanDerWaalsContact O-CA 3.24Å; C192-K196 WeakPolarHBondContact O-CA 3.23Å; C192-K196 PolarHBondContact O-N 3.42Å; M193-K196 PolarHBondContact O-NZ 3.45Å; V194-K196 VanDerWaalsContact C-N 3.34Å; V194-K196 PolarHBondContact O-N 2.96Å | ||
| 197 | K | 90.8 | Very high | 88.9 | Confident | 127 Ų | 127 | 70 Ų | 70 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | trans | -67.8 | 137 | 172.2 | -179 | 176 | -66.8 | -174.5 | 0 | 111.1 | V191 C192 C195 L199 | V191-K197 CarbonylContact C-O 3.6Å; V191-K197 VanDerWaalsContact CA-O 3.26Å; V191-K197 WeakPolarHBondContact CA-O 3.44Å; C192-K197 PolarHBondContact N-O 3.12Å; C195-K197 PolarHBondContact O-N 2.91Å; C195-K197 VanDerWaalsContact SG-CB 3.53Å; K197-L199 PolarHBondContact O-N 2.77Å | ||
| 198 | E | 90.4 | Very high | 89 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -59.1 | 128 | 171.7 | -67.8 | 177.6 | -142.6 | 0 | 0 | 112.5 | V191 S200 T202 | V191-E198 HydrophobicContact CG1-CG 4.13Å; E198-S200 PolarHBondContact OE2-OG 3.21Å; E198-T202 PolarHBondContact O-OG1 3.37Å |
| 199 | L | 90.2 | Very high | 88.9 | Confident | 5 Ų | 5 | 71.9 Ų | 71.9 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | trans | -100.9 | 15 | 177.2 | -61.9 | 170.6 | 0 | 0 | 0 | 111.5 | F190 C192 K197 T201 F204 P211 C213 | F190-L199 HydrophobicContact CD1-CB 3.68Å; F190-L199 HydrophobicContact CE1-CB 3.66Å; F190-L199 PolarHBondContact O-N 3.25Å; C192-L199 HydrophobicContact CB-CD1 4.02Å; C192-L199 HydrophobicContact CB-CD2 4.45Å; C192-L199 HydrophobicContact CB-CG 4.35Å; K197-L199 PolarHBondContact O-N 2.77Å; L199-T201 VanDerWaalsContact C-N 3.26Å; L199-T201 PolarHBondContact O-N 3.5Å; L199-F204 HydrophobicContact CB-CB 4.16Å; L199-F204 HydrophobicContact CD1-CB 3.83Å; L199-F204 HydrophobicContact CD2-CB 4.15Å; L199-F204 HydrophobicContact CG-CB 4.27Å; L199-P211 HydrophobicContact CD1-CB 3.78Å; L199-P211 HydrophobicContact CD1-CG 4.49Å; L199-C213 HydrophobicContact CD2-CB 3.71Å | ||
| 200 | S | 80.4 | Confident | 88.9 | Confident | 35 Ų | 35 | 74 Ų | 74 | 25% | 0.245 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -67.7 | -22.9 | -175.8 | 64.6 | 0 | 0 | 0 | 0 | 114.4 | E198 | E198-S200 PolarHBondContact OE2-OG 3.21Š|
| 201 | T | 78.8 | Confident | 88.9 | Confident | 119 Ų | 119 | 74.3 Ų | 74.3 | 73% | 0.73 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -130.4 | -10 | -175.9 | 52 | 0 | 0 | 0 | 0 | 113.5 | L199 | L199-T201 VanDerWaalsContact C-N 3.26Å; L199-T201 PolarHBondContact O-N 3.5Å |
| 202 | T | 79.3 | Confident | 89 | Confident | 70 Ų | 70 | 73.8 Ų | 73.8 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -109.4 | 151.1 | -179.9 | 49.8 | 0 | 0 | 0 | 0 | 110.5 | E198 | E198-T202 PolarHBondContact O-OG1 3.37Š|
| 203 | G | 83.8 | Confident | 89 | Confident | 35 Ų | 35 | 74.4 Ų | 74.4 | 36% | 0.361 | 38% | 0.384 | S | S | . | . | trans | -60.6 | 140 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 204 | F | 91.5 | Very high | 88.9 | Confident | 75 Ų | 75 | 74.9 Ų | 74.9 | 33% | 0.329 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 158.4 | 177.7 | 71.4 | -89.2 | 0 | 0 | 0 | 111 | A180 L181 F190 L199 P211 Y212 | A180-F204 HydrophobicContact CB-CE1 4.28Å; A180-F204 HydrophobicContact CB-CZ 3.88Å; L181-F204 HydrophobicContact CD2-CE2 3.93Å; F190-F204 AromaticContact CE1-CD1 3.59Å; F190-F204 HydrophobicContact CE1-CD1 3.59Å; F190-F204 HydrophobicContact CE1-CD2 4.47Å; F190-F204 AromaticContact CE1-CE1 3.77Å; F190-F204 HydrophobicContact CE1-CE1 3.77Å; F190-F204 AromaticContact CE1-CG 3.98Å; F190-F204 HydrophobicContact CE1-CG 3.98Å; F190-F204 HydrophobicContact CE1-CZ 4.31Å; F190-F204 AromaticContact CZ-CD1 3.81Å; F190-F204 HydrophobicContact CZ-CD1 3.81Å; F190-F204 AromaticContact CZ-CD2 3.95Å; F190-F204 HydrophobicContact CZ-CD2 3.95Å; F190-F204 AromaticContact CZ-CE1 3.72Å; F190-F204 HydrophobicContact CZ-CE1 3.72Å; F190-F204 AromaticContact CZ-CE2 3.89Å; F190-F204 HydrophobicContact CZ-CE2 3.89Å; F190-F204 AromaticContact CZ-CG 3.93Å; F190-F204 HydrophobicContact CZ-CG 3.93Å; F190-F204 AromaticContact CZ-CZ 3.77Å; F190-F204 HydrophobicContact CZ-CZ 3.77Å; L199-F204 HydrophobicContact CB-CB 4.16Å; L199-F204 HydrophobicContact CD1-CB 3.83Å; L199-F204 HydrophobicContact CD2-CB 4.15Å; L199-F204 HydrophobicContact CG-CB 4.27Å; F204-P211 HydrophobicContact CD2-CB 4.31Å; F204-Y212 WeakPolarHBondContact CA-O 3.4Å |
| 205 | F | 91.1 | Very high | 88.8 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 29% | 0.294 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 143.8 | 171.5 | -67.7 | -92.1 | 0 | 0 | 0 | 110 | Y212 D214 Y217 H218 | F205-Y212 PolarHBondContact N-O 2.91Å; F205-Y212 PolarHBondContact O-N 3.36Å; F205-D214 HydrophobicContact CE2-CB 4.05Å; F205-Y217 HydrophobicContact CB-CD1 3.93Å; F205-Y217 HydrophobicContact CB-CD2 3.35Å; F205-Y217 HydrophobicContact CB-CE1 4.29Å; F205-Y217 HydrophobicContact CB-CE2 3.75Å; F205-Y217 HydrophobicContact CB-CG 3.46Å; F205-Y217 VanDerWaalsContact CB-CG 3.46Å; F205-Y217 AromaticContact CD1-CD1 3.98Å; F205-Y217 HydrophobicContact CD1-CD1 3.98Å; F205-Y217 AromaticContact CD1-CE1 3.96Å; F205-Y217 HydrophobicContact CD1-CE1 3.96Å; F205-Y217 HydrophobicContact CD1-CG 4.39Å; F205-Y217 HydrophobicContact CD2-CD1 4.21Å; F205-Y217 HydrophobicContact CD2-CG 4.18Å; F205-Y217 AromaticContact CG-CD1 3.78Å; F205-Y217 HydrophobicContact CG-CD1 3.78Å; F205-Y217 HydrophobicContact CG-CD2 4.14Å; F205-Y217 HydrophobicContact CG-CE1 4.17Å; F205-Y217 HydrophobicContact CG-CE2 4.49Å; F205-Y217 AromaticContact CG-CG 3.77Å; F205-Y217 HydrophobicContact CG-CG 3.77Å; F205-H218 AromaticContact CE2-CE1 3.82Å; F205-H218 AromaticContact CZ-CE1 3.77Å |
| 206 | E | 91.8 | Very high | 88.8 | Confident | 109 Ų | 109 | 76.9 Ų | 76.9 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.4 | 175.7 | 176 | 173 | -175.6 | 0 | 0 | 110.4 | L181 | L181-E206 HydrophobicContact CD2-CB 3.77Å; L181-E206 HydrophobicContact CD2-CG 3.53Å; L181-E206 WeakPolarHBondContact CD2-OE2 3.4Å |
| 207 | R | 89.8 | Confident | 88.8 | Confident | 117 Ų | 117 | 73 Ų | 73 | 44% | 0.442 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 125.7 | 166 | -161.6 | 76.3 | -178.3 | -177.4 | 0.1 | 107.9 | G209 R210 Y212 Y217 F221 | R207-G209 VanDerWaalsContact C-N 3.29Å; R207-G209 PolarHBondContact O-N 2.86Å; R207-R210 PolarHBondContact N-O 2.89Å; R207-R210 VanDerWaalsContact N-O 3.09Å; R207-R210 WeakPolarHBondContact O-CB 3.42Å; R207-R210 PolarHBondContact O-N 2.73Å; R207-Y212 HydrophobicContact CB-CD2 4.11Å; R207-Y212 HydrophobicContact CB-CE2 3.76Å; R207-Y217 HydrophobicContact CB-CE2 4.19Å; R207-F221 HydrophobicContact CB-CE2 4.17Å; R207-F221 HydrophobicContact CB-CZ 4.32Å; R207-F221 HydrophobicContact CG-CE1 4.22Å; R207-F221 HydrophobicContact CG-CE2 4.23Å; R207-F221 HydrophobicContact CG-CZ 4.08Å |
| 208 | E | 88.1 | Confident | 88.9 | Confident | 163 Ų | 163 | 68.4 Ų | 68.4 | 76% | 0.762 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.6 | 175.9 | -63.1 | 164.1 | -155.6 | 0 | 0 | 113.7 | R210 | E208-R210 PolarHBondContact O-N 2.92Š|
| 209 | G | 86.1 | Confident | 88.8 | Confident | 45 Ų | 45 | 69.4 Ų | 69.4 | 46% | 0.464 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 16 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | R207 | R207-G209 VanDerWaalsContact C-N 3.29Å; R207-G209 PolarHBondContact O-N 2.86Å |
| 210 | R | 89.6 | Confident | 88.8 | Confident | 119 Ų | 119 | 74 Ų | 74 | 45% | 0.449 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137 | -179.4 | -66.3 | 178 | -173.1 | -76 | 0.4 | 111.5 | M193 R207 E208 Y212 | M193-R210 HydrophobicContact CG-CB 3.86Å; M193-R210 HydrophobicContact CG-CG 4.22Å; R207-R210 PolarHBondContact N-O 2.89Å; R207-R210 VanDerWaalsContact N-O 3.09Å; R207-R210 WeakPolarHBondContact O-CB 3.42Å; R207-R210 PolarHBondContact O-N 2.73Å; E208-R210 PolarHBondContact O-N 2.92Å; R210-Y212 HydrophobicContact CB-CE2 3.65Å; R210-Y212 VanDerWaalsContact O-CD2 3.28Å; R210-Y212 WeakPolarHBondContact O-CD2 3.5Å; R210-Y212 WeakPolarHBondContact O-CE2 3.18Å |
| 211 | P | 91.9 | Very high | 89.3 | Confident | 8 Ų | 8 | 75.9 Ų | 75.9 | 5% | 0.052 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.9 | 178.5 | 34 | -32.2 | 0 | 0 | 0 | 112 | L181 F190 C192 M193 L199 F204 | L181-P211 HydrophobicContact CD1-CB 4.13Å; L181-P211 HydrophobicContact CD1-CG 4.08Å; F190-P211 HydrophobicContact CD2-CG 4.45Å; F190-P211 HydrophobicContact CE2-CB 3.85Å; F190-P211 HydrophobicContact CE2-CG 3.99Å; F190-P211 HydrophobicContact CZ-CB 3.82Å; F190-P211 HydrophobicContact CZ-CG 4.43Å; C192-P211 WeakPolarHBondContact CA-O 3.4Å; M193-P211 PolarHBondContact N-O 2.87Å; L199-P211 HydrophobicContact CD1-CB 3.78Å; L199-P211 HydrophobicContact CD1-CG 4.49Å; F204-P211 HydrophobicContact CD2-CB 4.31Å |
| 212 | Y | 93.4 | Very high | 89.9 | Confident | 23 Ų | 23 | 71 Ų | 71 | 9% | 0.09 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 145.5 | 177 | -63.4 | -95 | 0 | 0 | 0 | 110.7 | M193 V194 F204 F205 R207 R210 Y217 L220 F221 | M193-Y212 HydrophobicContact CB-CD1 4.45Å; M193-Y212 HydrophobicContact CB-CE1 4.05Å; V194-Y212 HydrophobicContact CG2-CD1 3.97Å; V194-Y212 HydrophobicContact CG2-CE1 3.9Å; F204-Y212 WeakPolarHBondContact CA-O 3.4Å; F205-Y212 PolarHBondContact N-O 2.91Å; F205-Y212 PolarHBondContact O-N 3.36Å; R207-Y212 HydrophobicContact CB-CD2 4.11Å; R207-Y212 HydrophobicContact CB-CE2 3.76Å; R210-Y212 HydrophobicContact CB-CE2 3.65Å; R210-Y212 VanDerWaalsContact O-CD2 3.28Å; R210-Y212 WeakPolarHBondContact O-CD2 3.5Å; R210-Y212 WeakPolarHBondContact O-CE2 3.18Å; Y212-Y217 HydrophobicContact CD2-CD2 4.49Å; Y212-Y217 HydrophobicContact CG-CD2 4.49Å; Y212-L220 HydrophobicContact CE1-CD1 4.2Å; Y212-F221 HydrophobicContact CD1-CE2 4Å; Y212-F221 HydrophobicContact CD2-CE2 4.15Å; Y212-F221 AromaticContact CE1-CE2 3.84Å; Y212-F221 HydrophobicContact CE1-CE2 3.84Å; Y212-F221 HydrophobicContact CE1-CZ 4.01Å; Y212-F221 HydrophobicContact CE2-CE2 4.01Å; Y212-F221 HydrophobicContact CE2-CZ 4.24Å; Y212-F221 HydrophobicContact CG-CE2 4.16Å; Y212-F221 AromaticContact CZ-CE2 3.86Å; Y212-F221 AromaticContact CZ-CZ 3.81Å |
| 213 | C | 92.8 | Very high | 90.6 | Very high | 14 Ų | 14 | 70.2 Ų | 70.2 | 10% | 0.095 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 155.4 | 166.3 | 87.2 | 0 | 0 | 0 | 0 | 109.7 | C192 L199 K215 D216 Y217 | C192-C213 HydrophobicContact CB-CB 4.04Å; C192-C213 PolarHBondContact SG-N 3.33Å; L199-C213 HydrophobicContact CD2-CB 3.71Å; C213-K215 VanDerWaalsContact C-N 3.3Å; C213-K215 PolarHBondContact O-N 3.23Å; C213-D216 PolarHBondContact O-N 3.15Å; C213-D216 VanDerWaalsContact SG-CG 3.51Å; C213-D216 PolarHBondContact SG-OD2 3.36Å; C213-Y217 WeakPolarHBondContact O-CB 3.37Å; C213-Y217 PolarHBondContact O-N 2.97Å |
| 214 | D | 90.6 | Very high | 91 | Very high | 80 Ų | 80 | 74.3 Ų | 74.3 | 43% | 0.428 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -43.5 | -51.5 | 177.8 | 175.9 | -88.2 | 0 | 0 | 0 | 113.6 | F205 Y217 H218 | F205-D214 HydrophobicContact CE2-CB 4.05Å; D214-Y217 PolarHBondContact O-N 3.02Å; D214-H218 PolarHBondContact O-N 2.81Å; D214-H218 VanDerWaalsContact O-N 3.12Å; D214-H218 PolarHBondContact O-ND1 3.22Å; D214-H218 IonicContact OD1-ND1 3.86Å; D214-H218 IonicContact OD2-CE1 3.38Å; D214-H218 PolarHBondContact OD2-CE1 2.84Å; D214-H218 IonicContact OD2-ND1 3.51Å |
| 215 | K | 90.4 | Very high | 91.2 | Very high | 160 Ų | 160 | 70.8 Ų | 70.8 | 70% | 0.696 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.3 | -48.9 | -177.3 | -63.4 | -170.2 | 176 | -166.3 | 0 | 112.8 | C213 Q219 | C213-K215 VanDerWaalsContact C-N 3.3Å; C213-K215 PolarHBondContact O-N 3.23Å; K215-Q219 VanDerWaalsContact O-CB 3.23Å; K215-Q219 WeakPolarHBondContact O-CB 3.37Å; K215-Q219 PolarHBondContact O-N 3.42Å |
| 216 | D | 92.5 | Very high | 91.3 | Very high | 21 Ų | 21 | 68.2 Ų | 68.2 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.2 | -36.5 | -177.1 | -62 | -34.6 | 0 | 0 | 0 | 111.2 | C192 V194 C195 C213 Q219 L220 | C192-D216 PolarHBondContact SG-OD2 2.88Å; V194-D216 HydrophobicContact CB-CB 4Å; V194-D216 HydrophobicContact CG1-CB 4.38Å; V194-D216 HydrophobicContact CG2-CB 4.16Å; C195-D216 WeakPolarHBondContact CB-OD2 3.34Å; C195-D216 PolarHBondContact N-OD2 3.26Å; C195-D216 PolarHBondContact SG-OD2 3.24Å; C213-D216 PolarHBondContact O-N 3.15Å; C213-D216 VanDerWaalsContact SG-CG 3.51Å; C213-D216 PolarHBondContact SG-OD2 3.36Å; D216-Q219 PolarHBondContact O-N 2.84Å; D216-L220 WeakPolarHBondContact O-CB 3.2Å; D216-L220 WeakPolarHBondContact O-CG 3.26Å; D216-L220 PolarHBondContact O-N 3.27Å; D216-L220 VanDerWaalsContact O-N 3.09Å |
| 217 | Y | 92.8 | Very high | 91.3 | Very high | 43 Ų | 43 | 69.4 Ų | 69.4 | 17% | 0.169 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.1 | -53.6 | 176.6 | -177.2 | -94.1 | 0 | 0 | 0 | 111 | F205 R207 Y212 C213 D214 Q219 L220 F221 | F205-Y217 HydrophobicContact CB-CD1 3.93Å; F205-Y217 HydrophobicContact CB-CD2 3.35Å; F205-Y217 HydrophobicContact CB-CE1 4.29Å; F205-Y217 HydrophobicContact CB-CE2 3.75Å; F205-Y217 HydrophobicContact CB-CG 3.46Å; F205-Y217 VanDerWaalsContact CB-CG 3.46Å; F205-Y217 AromaticContact CD1-CD1 3.98Å; F205-Y217 HydrophobicContact CD1-CD1 3.98Å; F205-Y217 AromaticContact CD1-CE1 3.96Å; F205-Y217 HydrophobicContact CD1-CE1 3.96Å; F205-Y217 HydrophobicContact CD1-CG 4.39Å; F205-Y217 HydrophobicContact CD2-CD1 4.21Å; F205-Y217 HydrophobicContact CD2-CG 4.18Å; F205-Y217 AromaticContact CG-CD1 3.78Å; F205-Y217 HydrophobicContact CG-CD1 3.78Å; F205-Y217 HydrophobicContact CG-CD2 4.14Å; F205-Y217 HydrophobicContact CG-CE1 4.17Å; F205-Y217 HydrophobicContact CG-CE2 4.49Å; F205-Y217 AromaticContact CG-CG 3.77Å; F205-Y217 HydrophobicContact CG-CG 3.77Å; R207-Y217 HydrophobicContact CB-CE2 4.19Å; Y212-Y217 HydrophobicContact CD2-CD2 4.49Å; Y212-Y217 HydrophobicContact CG-CD2 4.49Å; C213-Y217 WeakPolarHBondContact O-CB 3.37Å; C213-Y217 PolarHBondContact O-N 2.97Å; D214-Y217 PolarHBondContact O-N 3.02Å; Y217-Q219 VanDerWaalsContact C-N 3.34Å; Y217-Q219 PolarHBondContact O-N 3.39Å; Y217-L220 PolarHBondContact O-N 3.27Å; Y217-F221 AromaticContact CD2-CD2 3.52Å; Y217-F221 HydrophobicContact CD2-CD2 3.52Å; Y217-F221 HydrophobicContact CD2-CE2 4.03Å; Y217-F221 AromaticContact CE2-CD2 3.79Å; Y217-F221 HydrophobicContact CE2-CD2 3.79Å; Y217-F221 HydrophobicContact CE2-CE2 4.43Å; Y217-F221 HydrophobicContact CE2-CG 4.49Å; Y217-F221 HydrophobicContact CG-CD2 4.05Å; Y217-F221 WeakPolarHBondContact O-CB 3.43Å; Y217-F221 VanDerWaalsContact O-CD2 3.32Å; Y217-F221 WeakPolarHBondContact O-CD2 3.44Å; Y217-F221 PolarHBondContact O-N 2.88Å |
| 218 | H | 90.9 | Very high | 91.5 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 14% | 0.139 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.3 | -32.8 | 179.7 | -63.6 | 103.8 | 0 | 0 | 0 | 112.3 | F205 D214 L220 S222 P231 L233 | F205-H218 AromaticContact CE2-CE1 3.82Å; F205-H218 AromaticContact CZ-CE1 3.77Å; D214-H218 PolarHBondContact O-N 2.81Å; D214-H218 VanDerWaalsContact O-N 3.12Å; D214-H218 PolarHBondContact O-ND1 3.22Å; D214-H218 IonicContact OD1-ND1 3.86Å; D214-H218 IonicContact OD2-CE1 3.38Å; D214-H218 PolarHBondContact OD2-CE1 2.84Å; D214-H218 IonicContact OD2-ND1 3.51Å; H218-L220 VanDerWaalsContact C-N 3.34Å; H218-L220 PolarHBondContact O-N 3.42Å; H218-S222 WeakPolarHBondContact CA-OG 3.31Å; H218-S222 PolarHBondContact CD2-OG 3.02Å; H218-S222 VanDerWaalsContact CD2-OG 3.25Å; H218-S222 WeakPolarHBondContact O-CB 3.15Å; H218-S222 PolarHBondContact O-N 3.45Å; H218-S222 PolarHBondContact O-OG 3.48Å; H218-P231 WeakPolarHBondContact O-CB 3.37Å; H218-L233 HydrophobicContact CB-CD2 3.54Å; H218-L233 VanDerWaalsContact CD2-CD2 3.43Å; H218-L233 WeakPolarHBondContact CD2-CD2 3.25Å; H218-L233 VanDerWaalsContact CG-CD2 3.48Å |
| 219 | Q | 89.3 | Confident | 91.8 | Very high | 119 Ų | 119 | 65.2 Ų | 65.2 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.5 | -35 | 176.6 | -177.6 | 171.1 | -5.8 | 0 | 0 | 113.2 | K215 D216 Y217 R224 | K215-Q219 VanDerWaalsContact O-CB 3.23Å; K215-Q219 WeakPolarHBondContact O-CB 3.37Å; K215-Q219 PolarHBondContact O-N 3.42Å; D216-Q219 PolarHBondContact O-N 2.84Å; Y217-Q219 VanDerWaalsContact C-N 3.34Å; Y217-Q219 PolarHBondContact O-N 3.39Å; Q219-R224 PolarHBondContact O-NH2 2.97Å |
| 220 | L | 89.7 | Confident | 92.1 | Very high | 102 Ų | 102 | 64.1 Ų | 64.1 | 53% | 0.534 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -91.5 | -38.7 | -177.6 | -69.3 | 175.4 | 0 | 0 | 0 | 113.9 | V194 Y212 D216 Y217 H218 | V194-L220 HydrophobicContact CG2-CD1 3.71Å; Y212-L220 HydrophobicContact CE1-CD1 4.2Å; D216-L220 WeakPolarHBondContact O-CB 3.2Å; D216-L220 WeakPolarHBondContact O-CG 3.26Å; D216-L220 PolarHBondContact O-N 3.27Å; D216-L220 VanDerWaalsContact O-N 3.09Å; Y217-L220 PolarHBondContact O-N 3.27Å; H218-L220 VanDerWaalsContact C-N 3.34Å; H218-L220 PolarHBondContact O-N 3.42Å |
| 221 | F | 90.5 | Very high | 92.2 | Very high | 74 Ų | 74 | 60.5 Ų | 60.5 | 33% | 0.325 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -116.6 | -13.2 | -165.7 | -51.9 | -62.2 | 0 | 0 | 0 | 114.9 | R207 Y212 Y217 | R207-F221 HydrophobicContact CB-CE2 4.17Å; R207-F221 HydrophobicContact CB-CZ 4.32Å; R207-F221 HydrophobicContact CG-CE1 4.22Å; R207-F221 HydrophobicContact CG-CE2 4.23Å; R207-F221 HydrophobicContact CG-CZ 4.08Å; Y212-F221 HydrophobicContact CD1-CE2 4Å; Y212-F221 HydrophobicContact CD2-CE2 4.15Å; Y212-F221 AromaticContact CE1-CE2 3.84Å; Y212-F221 HydrophobicContact CE1-CE2 3.84Å; Y212-F221 HydrophobicContact CE1-CZ 4.01Å; Y212-F221 HydrophobicContact CE2-CE2 4.01Å; Y212-F221 HydrophobicContact CE2-CZ 4.24Å; Y212-F221 HydrophobicContact CG-CE2 4.16Å; Y212-F221 AromaticContact CZ-CE2 3.86Å; Y212-F221 AromaticContact CZ-CZ 3.81Å; Y217-F221 AromaticContact CD2-CD2 3.52Å; Y217-F221 HydrophobicContact CD2-CD2 3.52Å; Y217-F221 HydrophobicContact CD2-CE2 4.03Å; Y217-F221 AromaticContact CE2-CD2 3.79Å; Y217-F221 HydrophobicContact CE2-CD2 3.79Å; Y217-F221 HydrophobicContact CE2-CE2 4.43Å; Y217-F221 HydrophobicContact CE2-CG 4.49Å; Y217-F221 HydrophobicContact CG-CD2 4.05Å; Y217-F221 WeakPolarHBondContact O-CB 3.43Å; Y217-F221 VanDerWaalsContact O-CD2 3.32Å; Y217-F221 WeakPolarHBondContact O-CD2 3.44Å; Y217-F221 PolarHBondContact O-N 2.88Å |
| 222 | S | 92 | Very high | 92.3 | Very high | 17 Ų | 17 | 60.5 Ų | 60.5 | 12% | 0.119 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -73.1 | 141.6 | 175.6 | -70 | 0 | 0 | 0 | 0 | 111.8 | H218 | H218-S222 WeakPolarHBondContact CA-OG 3.31Å; H218-S222 PolarHBondContact CD2-OG 3.02Å; H218-S222 VanDerWaalsContact CD2-OG 3.25Å; H218-S222 WeakPolarHBondContact O-CB 3.15Å; H218-S222 PolarHBondContact O-N 3.45Å; H218-S222 PolarHBondContact O-OG 3.48Å |
| 223 | P | 93.4 | Very high | 92.1 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | trans | -60.1 | 146.8 | 169.9 | 24.5 | -30.2 | 0 | 0 | 0 | 110.1 | I232 I236 T243 | P223-I232 PolarHBondContact O-N 3.28Å; P223-I236 HydrophobicContact CB-CD1 3.87Å; P223-I236 HydrophobicContact CG-CD1 3.42Å; P223-I236 VanDerWaalsContact CG-CD1 3.42Å; P223-I236 HydrophobicContact CG-CG1 4.44Å; P223-T243 HydrophobicContact CB-CG2 4.02Å | ||
| 224 | R | 93.8 | Very high | 91.7 | Very high | 120 Ų | 120 | 71 Ų | 71 | 45% | 0.453 | 35% | 0.348 | S | S | . | . | B | Isolated β-bridge | trans | -106.5 | 136.8 | -174.3 | -70.9 | 179.7 | 174.1 | -89.3 | -4.9 | 110.9 | Q219 A226 K229 G230 T243 | Q219-R224 PolarHBondContact O-NH2 2.97Å; R224-A226 PolarHBondContact O-N 3.5Å; R224-K229 PolarHBondContact NH1-O 3.32Å; R224-G230 WeakPolarHBondContact CA-O 3.36Å; R224-T243 PolarHBondContact O-OG1 3.48Å |
| 225 | C | 94.7 | Very high | 91.6 | Very high | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.007 | 36% | 0.361 | C | S | . | . | trans | -65.1 | 126.4 | 177.1 | 176.5 | 0 | 0 | 0 | 0 | 111 | Y227 C228 K229 G230 I232 T243 H245 | C225-Y227 PolarHBondContact O-N 2.79Å; C225-C228 VanDerWaalsContact CB-SG 3.58Å; C225-K229 WeakPolarHBondContact O-CA 3.35Å; C225-K229 PolarHBondContact O-N 3.33Å; C225-G230 PolarHBondContact N-O 3.29Å; C225-I232 HydrophobicContact CB-CD1 4.13Å; C225-I232 HydrophobicContact CB-CG1 4Å; C225-T243 CarbonylContact C-O 3.58Å; C225-T243 VanDerWaalsContact CA-O 3.26Å; C225-T243 WeakPolarHBondContact CA-O 3.47Å; C225-H245 WeakPolarHBondContact CB-ND1 3.29Å; C225-H245 PolarHBondContact SG-ND1 2.86Å; C225-H245 VanDerWaalsContact SG-ND1 3.42Å | ||
| 226 | A | 92.9 | Very high | 91.7 | Very high | 13 Ų | 13 | 70 Ų | 70 | 11% | 0.107 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -31.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R224 K229 Q242 T243 W244 | R224-A226 PolarHBondContact O-N 3.5Å; A226-K229 VanDerWaalsContact O-CE 3.31Å; A226-K229 WeakPolarHBondContact O-CE 3.19Å; A226-K229 PolarHBondContact O-NZ 3.33Å; A226-Q242 HydrophobicContact CB-CB 4.06Å; A226-Q242 HydrophobicContact CB-CG 4.4Å; A226-Q242 VanDerWaalsContact CB-OE1 3.27Å; A226-T243 PolarHBondContact N-O 2.94Å; A226-W244 HydrophobicContact CB-CD2 3.83Å; A226-W244 HydrophobicContact CB-CE3 3.87Å; A226-W244 HydrophobicContact CB-CH2 3.59Å; A226-W244 HydrophobicContact CB-CZ2 3.54Å; A226-W244 HydrophobicContact CB-CZ3 3.76Å |
| 227 | Y | 93.1 | Very high | 91.7 | Very high | 135 Ų | 135 | 71.8 Ų | 71.8 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -73.6 | 173.6 | -173.7 | -102.5 | 0 | 0 | 0 | 112.4 | C225 K229 H248 F250 | C225-Y227 PolarHBondContact O-N 2.79Å; Y227-K229 VanDerWaalsContact C-N 3.35Å; Y227-K229 PolarHBondContact O-N 2.77Å; Y227-H248 HydrophobicContact CD1-CB 4.17Å; Y227-H248 AromaticContact CD1-CD2 3.29Å; Y227-H248 WeakPolarHBondContact CD1-CD2 3.43Å; Y227-H248 AromaticContact CD1-CG 3.9Å; Y227-H248 AromaticContact CD1-NE2 3.96Å; Y227-H248 AromaticContact CE1-CD2 3.7Å; Y227-H248 HydrophobicContact CG-CB 4.37Å; Y227-F250 HydrophobicContact CD2-CZ 4.08Å; Y227-F250 HydrophobicContact CE1-CE1 4.47Å; Y227-F250 HydrophobicContact CE1-CZ 4.18Å; Y227-F250 HydrophobicContact CE2-CE2 4.33Å; Y227-F250 AromaticContact CE2-CZ 3.65Å; Y227-F250 HydrophobicContact CE2-CZ 3.65Å; Y227-F250 AromaticContact CZ-CZ 3.7Å |
| 228 | C | 94.1 | Very high | 91.8 | Very high | 58 Ų | 58 | 74.6 Ų | 74.6 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -4.5 | -170.1 | 71.6 | 0 | 0 | 0 | 0 | 115.3 | C225 G230 H245 | C225-C228 VanDerWaalsContact CB-SG 3.58Å; C228-G230 PolarHBondContact O-N 2.93Å; C228-H245 VanDerWaalsContact SG-CE1 3.51Å; C228-H245 PolarHBondContact SG-ND1 2.9Å |
| 229 | K | 92.7 | Very high | 91.8 | Very high | 134 Ų | 134 | 73.8 Ų | 73.8 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | trans | 58.6 | 0.2 | -176.2 | -48.4 | -53.4 | -173.1 | -172.1 | 0 | 116.2 | R224 C225 A226 Y227 | R224-K229 PolarHBondContact NH1-O 3.32Å; C225-K229 WeakPolarHBondContact O-CA 3.35Å; C225-K229 PolarHBondContact O-N 3.33Å; A226-K229 VanDerWaalsContact O-CE 3.31Å; A226-K229 WeakPolarHBondContact O-CE 3.19Å; A226-K229 PolarHBondContact O-NZ 3.33Å; Y227-K229 VanDerWaalsContact C-N 3.35Å; Y227-K229 PolarHBondContact O-N 2.77Å | ||
| 230 | G | 92.2 | Very high | 91.9 | Very high | 21 Ų | 21 | 69.4 Ų | 69.4 | 22% | 0.216 | 36% | 0.359 | C | S | . | . | trans | -71.4 | 155.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R224 C225 C228 | R224-G230 WeakPolarHBondContact CA-O 3.36Å; C225-G230 PolarHBondContact N-O 3.29Å; C228-G230 PolarHBondContact O-N 2.93Å | ||
| 231 | P | 93.4 | Very high | 92 | Very high | 44 Ų | 44 | 72.7 Ų | 72.7 | 29% | 0.286 | 38% | 0.377 | S | S | . | . | B | Isolated β-bridge | trans | -68.9 | 135 | 174.9 | 29.9 | -33.8 | 0 | 0 | 0 | 111 | H218 | H218-P231 WeakPolarHBondContact O-CB 3.37Å |
| 232 | I | 93.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 73.1 Ų | 73.1 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | trans | -88.4 | 112.8 | 175.7 | -56.2 | 161.3 | 0 | 0 | 0 | 107.7 | P223 C225 Q234 I236 | P223-I232 PolarHBondContact O-N 3.28Å; C225-I232 HydrophobicContact CB-CD1 4.13Å; C225-I232 HydrophobicContact CB-CG1 4Å; I232-Q234 WeakPolarHBondContact CG2-O 3.37Å; I232-I236 HydrophobicContact CD1-CG1 4.16Å; I232-I236 HydrophobicContact CG2-CB 4.28Å; I232-I236 HydrophobicContact CG2-CG1 4.47Å | ||
| 233 | L | 88.5 | Confident | 92.3 | Very high | 109 Ų | 109 | 74 Ų | 74 | 57% | 0.571 | 39% | 0.385 | S | S | * | . | trans | -86.2 | -35.3 | -178.2 | -51.3 | -179.1 | 0 | 0 | 0 | 112.3 | H218 | H218-L233 HydrophobicContact CB-CD2 3.54Å; H218-L233 VanDerWaalsContact CD2-CD2 3.43Å; H218-L233 WeakPolarHBondContact CD2-CD2 3.25Å; H218-L233 VanDerWaalsContact CG-CD2 3.48Å | ||
| 234 | Q | 85.8 | Confident | 92.4 | Very high | 147 Ų | 147 | 72.6 Ų | 72.6 | 69% | 0.687 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -145.4 | 155.2 | -173.9 | -68 | -178.6 | -29.6 | 0 | 0 | 109.8 | I232 | I232-Q234 WeakPolarHBondContact CG2-O 3.37Š|
| 235 | N | 88.3 | Confident | 92.4 | Very high | 133 Ų | 133 | 68.8 Ų | 68.8 | 71% | 0.711 | 36% | 0.36 | S | S | * | . | trans | 49.2 | 68.6 | 176.3 | -61.7 | -12.3 | 0 | 0 | 0 | 113.6 | L237 P246 | N235-L237 PolarHBondContact O-N 2.94Å; N235-P246 HydrophobicContact CB-CG 4.18Å; N235-P246 WeakPolarHBondContact O-CD 3.42Å; N235-P246 WeakPolarHBondContact O-CG 3.4Å | ||
| 236 | I | 91.8 | Very high | 92.3 | Very high | 87 Ų | 87 | 71.6 Ų | 71.6 | 45% | 0.446 | 38% | 0.378 | S | S | . | . | trans | -71.4 | 127.9 | 174.6 | -164.3 | 176 | 0 | 0 | 0 | 110.9 | P223 I232 T243 | P223-I236 HydrophobicContact CB-CD1 3.87Å; P223-I236 HydrophobicContact CG-CD1 3.42Å; P223-I236 VanDerWaalsContact CG-CD1 3.42Å; P223-I236 HydrophobicContact CG-CG1 4.44Å; I232-I236 HydrophobicContact CD1-CG1 4.16Å; I232-I236 HydrophobicContact CG2-CB 4.28Å; I232-I236 HydrophobicContact CG2-CG1 4.47Å; I236-T243 HydrophobicContact CD1-CG2 3.51Å; I236-T243 HydrophobicContact CG1-CG2 4.1Å | ||
| 237 | L | 93.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 78.1 Ų | 78.1 | 30% | 0.304 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125.4 | 165.8 | -175.3 | 137.6 | 0 | 0 | 0 | 108.7 | N235 A239 T243 W244 F249 | N235-L237 PolarHBondContact O-N 2.94Å; L237-A239 HydrophobicContact CD2-CB 3.86Å; L237-T243 CarbonylContact O-C 3.49Å; L237-T243 WeakPolarHBondContact O-CA 3.48Å; L237-W244 HydrophobicContact CB-CB 4.48Å; L237-W244 HydrophobicContact CD2-CB 4.14Å; L237-W244 HydrophobicContact CD2-CG 4.38Å; L237-W244 PolarHBondContact N-O 3.29Å; L237-W244 PolarHBondContact O-N 3.07Å; L237-F249 HydrophobicContact CD1-CD1 4.31Å; L237-F249 HydrophobicContact CD2-CB 3.81Å; L237-F249 HydrophobicContact CD2-CD1 3.51Å; L237-F249 HydrophobicContact CD2-CD2 4.02Å; L237-F249 HydrophobicContact CD2-CE1 4.06Å; L237-F249 HydrophobicContact CD2-CG 3.49Å; L237-F249 VanDerWaalsContact CD2-CG 3.49Å |
| 238 | T | 93.8 | Very high | 92.4 | Very high | 102 Ų | 102 | 74.3 Ų | 74.3 | 63% | 0.626 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 117.4 | 178.8 | -54.5 | 0 | 0 | 0 | 0 | 108.8 | Q242 | T238-Q242 WeakPolarHBondContact CA-O 3.49Å |
| 239 | A | 92 | Very high | 92.4 | Very high | 14 Ų | 14 | 72 Ų | 72 | 12% | 0.116 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 149.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | L237 D241 Q242 W244 F249 F263 | L237-A239 HydrophobicContact CD2-CB 3.86Å; A239-D241 VanDerWaalsContact C-N 3.28Å; A239-D241 PolarHBondContact O-N 2.75Å; A239-Q242 PolarHBondContact N-O 3.42Å; A239-Q242 CarbonylContact O-C 3.58Å; A239-Q242 PolarHBondContact O-N 2.9Å; A239-W244 PolarHBondContact O-NE1 2.85Å; A239-F249 HydrophobicContact CB-CD2 4.41Å; A239-F249 HydrophobicContact CB-CE1 4.12Å; A239-F249 HydrophobicContact CB-CE2 3.69Å; A239-F249 HydrophobicContact CB-CZ 3.53Å; A239-F263 HydrophobicContact CB-CE1 4.43Å; A239-F263 HydrophobicContact CB-CZ 4.13Å |
| 240 | L | 91.3 | Very high | 92.5 | Very high | 26 Ų | 26 | 68 Ų | 68 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 42.9 | -178.9 | -50.4 | -178.5 | 0 | 0 | 0 | 112.7 | Q242 W244 F249 F263 E265 P270 | L240-Q242 WeakPolarHBondContact O-CG 3.44Å; L240-Q242 PolarHBondContact O-N 2.83Å; L240-Q242 PolarHBondContact O-NE2 3.17Å; L240-Q242 VanDerWaalsContact O-NE2 3.15Å; L240-W244 HydrophobicContact CD1-CZ2 4.47Å; L240-F249 HydrophobicContact CD1-CE2 4.3Å; L240-F249 HydrophobicContact CG-CE2 4.46Å; L240-F263 HydrophobicContact CD2-CE2 3.83Å; L240-F263 HydrophobicContact CG-CE2 4.35Å; L240-E265 HydrophobicContact CD2-CB 3.9Å; L240-E265 VanDerWaalsContact CD2-CD 3.46Å; L240-E265 HydrophobicContact CD2-CG 3.55Å; L240-E265 VanDerWaalsContact CD2-OE2 3.25Å; L240-E265 WeakPolarHBondContact CD2-OE2 3.37Å; L240-P270 HydrophobicContact CD1-CB 4Å; L240-P270 HydrophobicContact CD1-CG 4.05Å |
| 241 | D | 91 | Very high | 92.7 | Very high | 172 Ų | 172 | 67 Ų | 67 | 92% | 0.92 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 24.2 | -172.8 | -61.3 | -35.5 | 0 | 0 | 0 | 115 | A239 | A239-D241 VanDerWaalsContact C-N 3.28Å; A239-D241 PolarHBondContact O-N 2.75Å |
| 242 | Q | 93.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 68.1 Ų | 68.1 | 39% | 0.388 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 161 | -174.3 | -77.9 | 171.8 | 93.6 | 0 | 0 | 111.5 | A226 T238 A239 L240 W244 | A226-Q242 HydrophobicContact CB-CB 4.06Å; A226-Q242 HydrophobicContact CB-CG 4.4Å; A226-Q242 VanDerWaalsContact CB-OE1 3.27Å; T238-Q242 WeakPolarHBondContact CA-O 3.49Å; A239-Q242 PolarHBondContact N-O 3.42Å; A239-Q242 CarbonylContact O-C 3.58Å; A239-Q242 PolarHBondContact O-N 2.9Å; L240-Q242 WeakPolarHBondContact O-CG 3.44Å; L240-Q242 PolarHBondContact O-N 2.83Å; L240-Q242 PolarHBondContact O-NE2 3.17Å; L240-Q242 VanDerWaalsContact O-NE2 3.15Å; Q242-W244 HydrophobicContact CB-CZ2 4.23Å; Q242-W244 VanDerWaalsContact O-CD1 3.29Å; Q242-W244 PolarHBondContact O-NE1 2.9Å |
| 243 | T | 95.1 | Very high | 92.9 | Very high | 35 Ų | 35 | 72.8 Ų | 72.8 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137.7 | -179.7 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | P223 R224 C225 A226 I236 L237 | P223-T243 HydrophobicContact CB-CG2 4.02Å; R224-T243 PolarHBondContact O-OG1 3.48Å; C225-T243 CarbonylContact C-O 3.58Å; C225-T243 VanDerWaalsContact CA-O 3.26Å; C225-T243 WeakPolarHBondContact CA-O 3.47Å; A226-T243 PolarHBondContact N-O 2.94Å; I236-T243 HydrophobicContact CD1-CG2 3.51Å; I236-T243 HydrophobicContact CG1-CG2 4.1Å; L237-T243 CarbonylContact O-C 3.49Å; L237-T243 WeakPolarHBondContact O-CA 3.48Å |
| 244 | W | 95.3 | Very high | 93.2 | Very high | 25 Ų | 25 | 69.8 Ų | 69.8 | 10% | 0.095 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.4 | -172.7 | -51.9 | 80.4 | 0 | 0 | 0 | 110.5 | A226 L237 A239 L240 Q242 F249 | A226-W244 HydrophobicContact CB-CD2 3.83Å; A226-W244 HydrophobicContact CB-CE3 3.87Å; A226-W244 HydrophobicContact CB-CH2 3.59Å; A226-W244 HydrophobicContact CB-CZ2 3.54Å; A226-W244 HydrophobicContact CB-CZ3 3.76Å; L237-W244 HydrophobicContact CB-CB 4.48Å; L237-W244 HydrophobicContact CD2-CB 4.14Å; L237-W244 HydrophobicContact CD2-CG 4.38Å; L237-W244 PolarHBondContact N-O 3.29Å; L237-W244 PolarHBondContact O-N 3.07Å; A239-W244 PolarHBondContact O-NE1 2.85Å; L240-W244 HydrophobicContact CD1-CZ2 4.47Å; Q242-W244 HydrophobicContact CB-CZ2 4.23Å; Q242-W244 VanDerWaalsContact O-CD1 3.29Å; Q242-W244 PolarHBondContact O-NE1 2.9Å; W244-F249 HydrophobicContact CB-CB 4.09Å; W244-F249 HydrophobicContact CB-CD2 4.48Å; W244-F249 AromaticContact CD2-CD2 3.71Å; W244-F249 HydrophobicContact CD2-CD2 3.71Å; W244-F249 HydrophobicContact CD2-CE2 4.46Å; W244-F249 AromaticContact CE2-CD2 3.92Å; W244-F249 HydrophobicContact CE3-CD2 4.08Å; W244-F249 HydrophobicContact CG-CB 4.36Å; W244-F249 AromaticContact CG-CD2 3.86Å; W244-F249 HydrophobicContact CG-CD2 3.86Å; W244-F249 HydrophobicContact CG-CG 4.45Å; W244-F249 HydrophobicContact CZ2-CD2 4.5Å |
| 245 | H | 94.6 | Very high | 93.6 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 19% | 0.185 | 35% | 0.351 | C | S | . | . | trans | -72.6 | 145.4 | 156 | -60.6 | 101.6 | 0 | 0 | 0 | 107.8 | C225 C228 E247 H248 F249 | C225-H245 WeakPolarHBondContact CB-ND1 3.29Å; C225-H245 PolarHBondContact SG-ND1 2.86Å; C225-H245 VanDerWaalsContact SG-ND1 3.42Å; C228-H245 VanDerWaalsContact SG-CE1 3.51Å; C228-H245 PolarHBondContact SG-ND1 2.9Å; H245-E247 VanDerWaalsContact C-N 3.25Å; H245-E247 PolarHBondContact O-N 2.91Å; H245-H248 HydrophobicContact CB-CB 4.07Å; H245-H248 WeakPolarHBondContact CB-ND1 3.32Å; H245-H248 AromaticContact CG-ND1 3.56Å; H245-H248 AromaticContact ND1-CE1 3.96Å; H245-H248 AromaticContact ND1-ND1 3.22Å; H245-H248 PolarHBondContact ND1-ND1 3.5Å; H245-H248 CarbonylContact O-C 3.6Å; H245-H248 PolarHBondContact O-N 3.43Å; H245-F249 PolarHBondContact O-N 3.29Å | ||
| 246 | P | 92.4 | Very high | 93.9 | Very high | 59 Ų | 59 | 62.3 Ų | 62.3 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -57.9 | -39.8 | 179 | -24.9 | 35.5 | 0 | 0 | 0 | 112.1 | N235 H248 F249 L257 | N235-P246 HydrophobicContact CB-CG 4.18Å; N235-P246 WeakPolarHBondContact O-CD 3.42Å; N235-P246 WeakPolarHBondContact O-CG 3.4Å; P246-H248 PolarHBondContact O-N 3.36Å; P246-F249 PolarHBondContact O-N 3.49Å; P246-L257 WeakPolarHBondContact O-CD2 3.45Å |
| 247 | E | 93.1 | Very high | 93.9 | Very high | 151 Ų | 151 | 63.2 Ų | 63.2 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -67 | -18.5 | 175.8 | -62.3 | 172.1 | -171.3 | 0 | 0 | 114.2 | H245 F250 | H245-E247 VanDerWaalsContact C-N 3.25Å; H245-E247 PolarHBondContact O-N 2.91Å; E247-F250 WeakPolarHBondContact O-CD1 3.49Å |
| 248 | H | 93.9 | Very high | 94 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 25% | 0.25 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -104.2 | 8.3 | -179.4 | -69.7 | 123 | 0 | 0 | 0 | 112.9 | Y227 H245 P246 | Y227-H248 HydrophobicContact CD1-CB 4.17Å; Y227-H248 AromaticContact CD1-CD2 3.29Å; Y227-H248 WeakPolarHBondContact CD1-CD2 3.43Å; Y227-H248 AromaticContact CD1-CG 3.9Å; Y227-H248 AromaticContact CD1-NE2 3.96Å; Y227-H248 AromaticContact CE1-CD2 3.7Å; Y227-H248 HydrophobicContact CG-CB 4.37Å; H245-H248 HydrophobicContact CB-CB 4.07Å; H245-H248 WeakPolarHBondContact CB-ND1 3.32Å; H245-H248 AromaticContact CG-ND1 3.56Å; H245-H248 AromaticContact ND1-CE1 3.96Å; H245-H248 AromaticContact ND1-ND1 3.22Å; H245-H248 PolarHBondContact ND1-ND1 3.5Å; H245-H248 CarbonylContact O-C 3.6Å; H245-H248 PolarHBondContact O-N 3.43Å; P246-H248 PolarHBondContact O-N 3.36Å |
| 249 | F | 95.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | trans | -110.5 | 84.4 | 175 | -170.2 | -108.9 | 0 | 0 | 0 | 109.6 | L237 A239 L240 W244 H245 P246 F258 F263 P270 | L237-F249 HydrophobicContact CD1-CD1 4.31Å; L237-F249 HydrophobicContact CD2-CB 3.81Å; L237-F249 HydrophobicContact CD2-CD1 3.51Å; L237-F249 HydrophobicContact CD2-CD2 4.02Å; L237-F249 HydrophobicContact CD2-CE1 4.06Å; L237-F249 HydrophobicContact CD2-CG 3.49Å; L237-F249 VanDerWaalsContact CD2-CG 3.49Å; A239-F249 HydrophobicContact CB-CD2 4.41Å; A239-F249 HydrophobicContact CB-CE1 4.12Å; A239-F249 HydrophobicContact CB-CE2 3.69Å; A239-F249 HydrophobicContact CB-CZ 3.53Å; L240-F249 HydrophobicContact CD1-CE2 4.3Å; L240-F249 HydrophobicContact CG-CE2 4.46Å; W244-F249 HydrophobicContact CB-CB 4.09Å; W244-F249 HydrophobicContact CB-CD2 4.48Å; W244-F249 AromaticContact CD2-CD2 3.71Å; W244-F249 HydrophobicContact CD2-CD2 3.71Å; W244-F249 HydrophobicContact CD2-CE2 4.46Å; W244-F249 AromaticContact CE2-CD2 3.92Å; W244-F249 HydrophobicContact CE3-CD2 4.08Å; W244-F249 HydrophobicContact CG-CB 4.36Å; W244-F249 AromaticContact CG-CD2 3.86Å; W244-F249 HydrophobicContact CG-CD2 3.86Å; W244-F249 HydrophobicContact CG-CG 4.45Å; W244-F249 HydrophobicContact CZ2-CD2 4.5Å; H245-F249 PolarHBondContact O-N 3.29Å; P246-F249 PolarHBondContact O-N 3.49Å; F249-F258 AromaticContact CD1-CD2 3.46Å; F249-F258 HydrophobicContact CD1-CD2 3.46Å; F249-F258 VanDerWaalsContact CD1-CD2 3.46Å; F249-F258 AromaticContact CD1-CE2 3.61Å; F249-F258 HydrophobicContact CD1-CE2 3.61Å; F249-F258 AromaticContact CE1-CD2 3.47Å; F249-F258 HydrophobicContact CE1-CD2 3.47Å; F249-F258 VanDerWaalsContact CE1-CD2 3.47Å; F249-F258 AromaticContact CE1-CE2 3.52Å; F249-F258 HydrophobicContact CE1-CE2 3.52Å; F249-F258 HydrophobicContact CE2-CE2 4.47Å; F249-F258 HydrophobicContact CG-CD2 4.34Å; F249-F258 HydrophobicContact CG-CE2 4.13Å; F249-F258 HydrophobicContact CZ-CD2 4.35Å; F249-F258 AromaticContact CZ-CE2 3.97Å; F249-F258 HydrophobicContact CZ-CE2 3.97Å; F249-F258 VanDerWaalsContact O-CD2 3.28Å; F249-F258 WeakPolarHBondContact O-CD2 3.49Å; F249-F258 WeakPolarHBondContact O-CE2 3.42Å; F249-F263 AromaticContact CE1-CD1 3.54Å; F249-F263 HydrophobicContact CE1-CD1 3.54Å; F249-F263 AromaticContact CE1-CE1 3.69Å; F249-F263 HydrophobicContact CE1-CE1 3.69Å; F249-F263 HydrophobicContact CE1-CG 4Å; F249-F263 HydrophobicContact CE1-CZ 4.28Å; F249-F263 AromaticContact CZ-CD1 3.75Å; F249-F263 HydrophobicContact CZ-CD1 3.75Å; F249-F263 AromaticContact CZ-CD2 4Å; F249-F263 HydrophobicContact CZ-CD2 4Å; F249-F263 AromaticContact CZ-CE1 3.67Å; F249-F263 HydrophobicContact CZ-CE1 3.67Å; F249-F263 AromaticContact CZ-CE2 3.95Å; F249-F263 HydrophobicContact CZ-CE2 3.95Å; F249-F263 AromaticContact CZ-CG 3.91Å; F249-F263 HydrophobicContact CZ-CG 3.91Å; F249-F263 AromaticContact CZ-CZ 3.78Å; F249-F263 HydrophobicContact CZ-CZ 3.78Å; F249-P270 HydrophobicContact CD2-CG 4.29Å; F249-P270 HydrophobicContact CE2-CB 3.84Å; F249-P270 HydrophobicContact CE2-CG 3.79Å; F249-P270 HydrophobicContact CZ-CB 3.86Å; F249-P270 HydrophobicContact CZ-CG 4.32Å | ||
| 250 | F | 95.6 | Very high | 93.5 | Very high | 49 Ų | 49 | 65.7 Ų | 65.7 | 22% | 0.215 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -128.3 | 167.9 | -175.2 | 49.2 | -108.3 | 0 | 0 | 0 | 111.5 | Y227 E247 T252 G255 D256 L257 F258 | Y227-F250 HydrophobicContact CD2-CZ 4.08Å; Y227-F250 HydrophobicContact CE1-CE1 4.47Å; Y227-F250 HydrophobicContact CE1-CZ 4.18Å; Y227-F250 HydrophobicContact CE2-CE2 4.33Å; Y227-F250 AromaticContact CE2-CZ 3.65Å; Y227-F250 HydrophobicContact CE2-CZ 3.65Å; Y227-F250 AromaticContact CZ-CZ 3.7Å; E247-F250 WeakPolarHBondContact O-CD1 3.49Å; F250-T252 PolarHBondContact O-N 3.09Å; F250-G255 WeakPolarHBondContact CB-O 3.41Å; F250-D256 WeakPolarHBondContact CA-O 3.35Å; F250-D256 WeakPolarHBondContact CB-O 3.41Å; F250-L257 HydrophobicContact CB-CD2 4.16Å; F250-F258 VanDerWaalsContact C-CE2 3.49Å; F250-F258 WeakPolarHBondContact O-CZ 3.28Å |
| 251 | C | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -60.3 | 125.9 | 176.5 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | H253 C254 G255 D256 F258 C272 | C251-H253 PolarHBondContact O-N 3.33Å; C251-H253 VanDerWaalsContact O-N 3.07Å; C251-H253 PolarHBondContact SG-N 2.87Å; C251-C254 WeakPolarHBondContact CB-SG 3.42Å; C251-G255 VanDerWaalsContact O-CA 3.28Å; C251-G255 WeakPolarHBondContact O-CA 3.26Å; C251-G255 PolarHBondContact O-N 3.12Å; C251-D256 PolarHBondContact N-O 3.16Å; C251-F258 HydrophobicContact CB-CE1 4.01Å; C251-F258 HydrophobicContact CB-CZ 4.31Å; C251-F258 VanDerWaalsContact N-CZ 3.26Å; C251-C272 HydrophobicContact CB-CB 4.06Å; C251-C272 PolarHBondContact SG-N 3.15Å | ||
| 252 | T | 95.2 | Very high | 93.3 | Very high | 67 Ų | 67 | 64.3 Ų | 64.3 | 41% | 0.411 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -19.8 | -179.8 | -53 | 0 | 0 | 0 | 0 | 113.5 | F250 K269 P270 | F250-T252 PolarHBondContact O-N 3.09Å; T252-K269 HydrophobicContact CG2-CD 4.28Å; T252-P270 WeakPolarHBondContact CB-O 3.36Å; T252-P270 PolarHBondContact N-O 3.39Å; T252-P270 WeakPolarHBondContact OG1-CD 3.28Å; T252-P270 PolarHBondContact OG1-O 3.31Å |
| 253 | H | 94.4 | Very high | 93.3 | Very high | 106 Ų | 106 | 64.1 Ų | 64.1 | 49% | 0.491 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -61 | -178.3 | 178.4 | -98.6 | 0 | 0 | 0 | 113.1 | C251 Y271 D275 L279 | C251-H253 PolarHBondContact O-N 3.33Å; C251-H253 VanDerWaalsContact O-N 3.07Å; C251-H253 PolarHBondContact SG-N 2.87Å; H253-Y271 HydrophobicContact CB-CD1 4.14Å; H253-Y271 HydrophobicContact CB-CE1 4.16Å; H253-D275 HydrophobicContact CB-CB 4.22Å; H253-D275 WeakPolarHBondContact CB-OD2 3.47Å; H253-D275 IonicContact CE1-OD2 3.49Å; H253-D275 IonicContact CG-OD2 2.75Å; H253-D275 IonicContact ND1-OD2 3.21Å; H253-D275 PolarHBondContact ND1-OD2 3.14Å; H253-L279 HydrophobicContact CB-CD1 3.96Å |
| 254 | C | 94.9 | Very high | 93.2 | Very high | 46 Ų | 46 | 64.8 Ų | 64.8 | 31% | 0.311 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -18.3 | 179.7 | 61.4 | 0 | 0 | 0 | 0 | 115.5 | C251 D256 D275 | C251-C254 WeakPolarHBondContact CB-SG 3.42Å; C254-D256 PolarHBondContact O-N 3.46Å; C254-D256 VanDerWaalsContact SG-CB 3.58Å; C254-D256 VanDerWaalsContact SG-CG 3.52Å; C254-D256 PolarHBondContact SG-OD2 2.91Å; C254-D275 WeakPolarHBondContact CB-OD2 3.18Å; C254-D275 PolarHBondContact N-OD2 3Å; C254-D275 VanDerWaalsContact N-OD2 3.17Å; C254-D275 PolarHBondContact SG-OD2 3.17Å |
| 255 | G | 93.6 | Very high | 93.2 | Very high | 41 Ų | 41 | 68.8 Ų | 68.8 | 42% | 0.423 | 39% | 0.387 | S | S | . | . | trans | 77.9 | -0.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F250 C251 | F250-G255 WeakPolarHBondContact CB-O 3.41Å; C251-G255 VanDerWaalsContact O-CA 3.28Å; C251-G255 WeakPolarHBondContact O-CA 3.26Å; C251-G255 PolarHBondContact O-N 3.12Å | ||
| 256 | D | 94.6 | Very high | 93.1 | Very high | 83 Ų | 83 | 70.7 Ų | 70.7 | 44% | 0.444 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 140.4 | 177.1 | -61.6 | -39.2 | 0 | 0 | 0 | 111.3 | F250 C251 C254 R274 | F250-D256 WeakPolarHBondContact CA-O 3.35Å; F250-D256 WeakPolarHBondContact CB-O 3.41Å; C251-D256 PolarHBondContact N-O 3.16Å; C254-D256 PolarHBondContact O-N 3.46Å; C254-D256 VanDerWaalsContact SG-CB 3.58Å; C254-D256 VanDerWaalsContact SG-CG 3.52Å; C254-D256 PolarHBondContact SG-OD2 2.91Å; D256-R274 IonicContact OD2-NH2 3.88Å; D256-R274 PolarHBondContact OD2-NH2 2.92Å; D256-R274 VanDerWaalsContact OD2-NH2 3.15Å |
| 257 | L | 93.1 | Very high | 93.1 | Very high | 106 Ų | 106 | 73.9 Ų | 73.9 | 56% | 0.555 | 41% | 0.409 | S | S | * | . | B | Isolated β-bridge | trans | -66.5 | 150.1 | 168.8 | -69.2 | 170.1 | 0 | 0 | 0 | 111 | P246 F250 | P246-L257 WeakPolarHBondContact O-CD2 3.45Å; F250-L257 HydrophobicContact CB-CD2 4.16Å |
| 258 | F | 94.2 | Very high | 92.9 | Very high | 42 Ų | 42 | 68.5 Ų | 68.5 | 18% | 0.184 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -74 | 130.1 | -179.5 | -57.9 | -62.9 | 0 | 0 | 0 | 112.2 | F249 F250 C251 G262 F263 P270 C272 | F249-F258 AromaticContact CD1-CD2 3.46Å; F249-F258 HydrophobicContact CD1-CD2 3.46Å; F249-F258 VanDerWaalsContact CD1-CD2 3.46Å; F249-F258 AromaticContact CD1-CE2 3.61Å; F249-F258 HydrophobicContact CD1-CE2 3.61Å; F249-F258 AromaticContact CE1-CD2 3.47Å; F249-F258 HydrophobicContact CE1-CD2 3.47Å; F249-F258 VanDerWaalsContact CE1-CD2 3.47Å; F249-F258 AromaticContact CE1-CE2 3.52Å; F249-F258 HydrophobicContact CE1-CE2 3.52Å; F249-F258 HydrophobicContact CE2-CE2 4.47Å; F249-F258 HydrophobicContact CG-CD2 4.34Å; F249-F258 HydrophobicContact CG-CE2 4.13Å; F249-F258 HydrophobicContact CZ-CD2 4.35Å; F249-F258 AromaticContact CZ-CE2 3.97Å; F249-F258 HydrophobicContact CZ-CE2 3.97Å; F249-F258 VanDerWaalsContact O-CD2 3.28Å; F249-F258 WeakPolarHBondContact O-CD2 3.49Å; F249-F258 WeakPolarHBondContact O-CE2 3.42Å; F250-F258 VanDerWaalsContact C-CE2 3.49Å; F250-F258 WeakPolarHBondContact O-CZ 3.28Å; C251-F258 HydrophobicContact CB-CE1 4.01Å; C251-F258 HydrophobicContact CB-CZ 4.31Å; C251-F258 VanDerWaalsContact N-CZ 3.26Å; F258-G262 WeakPolarHBondContact CD1-O 3.35Å; F258-F263 HydrophobicContact CD1-CB 3.52Å; F258-F263 HydrophobicContact CD2-CB 3.95Å; F258-F263 HydrophobicContact CE1-CB 3.52Å; F258-F263 HydrophobicContact CE2-CB 3.92Å; F258-F263 HydrophobicContact CE2-CG 4.48Å; F258-F263 HydrophobicContact CG-CB 3.75Å; F258-F263 HydrophobicContact CZ-CB 3.72Å; F258-P270 HydrophobicContact CE2-CB 3.92Å; F258-P270 HydrophobicContact CE2-CG 4.34Å; F258-P270 HydrophobicContact CZ-CB 3.66Å; F258-P270 HydrophobicContact CZ-CG 4.22Å; F258-C272 HydrophobicContact CD1-CB 4.35Å; F258-C272 HydrophobicContact CE1-CB 4.2Å |
| 259 | G | 88.3 | Confident | 92.8 | Very high | 47 Ų | 47 | 71 Ų | 71 | 49% | 0.485 | 40% | 0.404 | S | S | . | . | trans | -86.1 | -162.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | D261 G262 | G259-D261 PolarHBondContact O-N 3.22Å; G259-G262 PolarHBondContact O-N 3.22Å | ||
| 260 | P | 88.3 | Confident | 92.8 | Very high | 137 Ų | 137 | 70.8 Ų | 70.8 | 89% | 0.89 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.6 | 179.4 | 27.9 | -35.7 | 0 | 0 | 0 | 113.4 | G262 | P260-G262 PolarHBondContact O-N 3.02Š|
| 261 | D | 86.9 | Confident | 92.8 | Very high | 140 Ų | 140 | 69.8 Ų | 69.8 | 75% | 0.749 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -8.6 | 174.9 | -54.9 | -45 | 0 | 0 | 0 | 113.4 | G259 | G259-D261 PolarHBondContact O-N 3.22Š|
| 262 | G | 90.6 | Very high | 92.7 | Very high | 29 Ų | 29 | 70.7 Ų | 70.7 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | trans | 72.5 | -146.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F258 G259 P260 | F258-G262 WeakPolarHBondContact CD1-O 3.35Å; G259-G262 PolarHBondContact O-N 3.22Å; P260-G262 PolarHBondContact O-N 3.02Å | ||
| 263 | F | 94.6 | Very high | 92.5 | Very high | 78 Ų | 78 | 69.4 Ų | 69.4 | 34% | 0.342 | 40% | 0.398 | S | S | . | . | trans | -138.7 | 159.4 | -177.4 | 71.1 | -86 | 0 | 0 | 0 | 111 | A239 L240 F249 F258 P270 Y271 | A239-F263 HydrophobicContact CB-CE1 4.43Å; A239-F263 HydrophobicContact CB-CZ 4.13Å; L240-F263 HydrophobicContact CD2-CE2 3.83Å; L240-F263 HydrophobicContact CG-CE2 4.35Å; F249-F263 AromaticContact CE1-CD1 3.54Å; F249-F263 HydrophobicContact CE1-CD1 3.54Å; F249-F263 AromaticContact CE1-CE1 3.69Å; F249-F263 HydrophobicContact CE1-CE1 3.69Å; F249-F263 HydrophobicContact CE1-CG 4Å; F249-F263 HydrophobicContact CE1-CZ 4.28Å; F249-F263 AromaticContact CZ-CD1 3.75Å; F249-F263 HydrophobicContact CZ-CD1 3.75Å; F249-F263 AromaticContact CZ-CD2 4Å; F249-F263 HydrophobicContact CZ-CD2 4Å; F249-F263 AromaticContact CZ-CE1 3.67Å; F249-F263 HydrophobicContact CZ-CE1 3.67Å; F249-F263 AromaticContact CZ-CE2 3.95Å; F249-F263 HydrophobicContact CZ-CE2 3.95Å; F249-F263 AromaticContact CZ-CG 3.91Å; F249-F263 HydrophobicContact CZ-CG 3.91Å; F249-F263 AromaticContact CZ-CZ 3.78Å; F249-F263 HydrophobicContact CZ-CZ 3.78Å; F258-F263 HydrophobicContact CD1-CB 3.52Å; F258-F263 HydrophobicContact CD2-CB 3.95Å; F258-F263 HydrophobicContact CE1-CB 3.52Å; F258-F263 HydrophobicContact CE2-CB 3.92Å; F258-F263 HydrophobicContact CE2-CG 4.48Å; F258-F263 HydrophobicContact CG-CB 3.75Å; F258-F263 HydrophobicContact CZ-CB 3.72Å; F263-P270 HydrophobicContact CD2-CB 4Å; F263-P270 HydrophobicContact CG-CB 4.48Å; F263-Y271 WeakPolarHBondContact CA-O 3.18Å | ||
| 264 | L | 93.2 | Very high | 92.3 | Very high | 50 Ų | 50 | 71.9 Ų | 71.9 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 141.3 | 170.5 | -68.5 | 168.8 | 0 | 0 | 0 | 109.5 | Y271 C273 F276 Y277 | L264-Y271 PolarHBondContact N-O 2.8Å; L264-Y271 PolarHBondContact O-N 3.04Å; L264-C273 HydrophobicContact CD1-CB 4.46Å; L264-F276 HydrophobicContact CB-CB 4.15Å; L264-F276 HydrophobicContact CB-CD1 4.36Å; L264-F276 HydrophobicContact CB-CD2 3.48Å; L264-F276 VanDerWaalsContact CB-CD2 3.48Å; L264-F276 HydrophobicContact CB-CE2 3.88Å; L264-F276 HydrophobicContact CB-CG 3.75Å; L264-F276 HydrophobicContact CB-CZ 4.48Å; L264-F276 HydrophobicContact CD1-CB 3.83Å; L264-F276 HydrophobicContact CD1-CD1 3.51Å; L264-F276 HydrophobicContact CD1-CD2 4.19Å; L264-F276 HydrophobicContact CD1-CE1 4.07Å; L264-F276 HydrophobicContact CD1-CG 3.58Å; L264-F276 HydrophobicContact CG-CD2 4.46Å; L264-F276 HydrophobicContact CG-CG 4.31Å; L264-Y277 HydrophobicContact CD1-CE2 4.31Å |
| 265 | E | 94.1 | Very high | 92.2 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 51% | 0.505 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134.2 | 176.7 | -172.2 | -171 | 158.5 | 0 | 0 | 111.1 | L240 G268 K269 F276 | L240-E265 HydrophobicContact CD2-CB 3.9Å; L240-E265 VanDerWaalsContact CD2-CD 3.46Å; L240-E265 HydrophobicContact CD2-CG 3.55Å; L240-E265 VanDerWaalsContact CD2-OE2 3.25Å; L240-E265 WeakPolarHBondContact CD2-OE2 3.37Å; E265-G268 WeakPolarHBondContact OE1-CA 3.49Å; E265-G268 PolarHBondContact OE1-N 2.94Å; E265-K269 WeakPolarHBondContact CA-O 3.49Å; E265-F276 WeakPolarHBondContact O-CE2 3.47Å |
| 266 | K | 92.7 | Very high | 92.2 | Very high | 80 Ų | 80 | 70.2 Ų | 70.2 | 35% | 0.348 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 124.1 | 161.5 | -173.9 | 61.4 | -179.3 | 169.1 | 0 | 109.7 | G268 K269 Y271 F276 F280 | K266-G268 VanDerWaalsContact C-N 3.31Å; K266-G268 PolarHBondContact O-N 3.26Å; K266-K269 PolarHBondContact N-O 3.23Å; K266-K269 WeakPolarHBondContact O-CB 3.39Å; K266-K269 PolarHBondContact O-N 3.04Å; K266-Y271 HydrophobicContact CB-CD2 3.95Å; K266-Y271 HydrophobicContact CB-CE2 3.81Å; K266-F276 HydrophobicContact CB-CD2 4.36Å; K266-F276 HydrophobicContact CB-CE2 3.97Å; K266-F280 HydrophobicContact CB-CD2 4.2Å; K266-F280 HydrophobicContact CB-CE2 3.81Å; K266-F280 HydrophobicContact CB-CZ 4.13Å; K266-F280 HydrophobicContact CG-CD1 4.27Å; K266-F280 HydrophobicContact CG-CD2 4.12Å; K266-F280 HydrophobicContact CG-CE1 4.04Å; K266-F280 HydrophobicContact CG-CE2 3.9Å; K266-F280 HydrophobicContact CG-CG 4.31Å; K266-F280 HydrophobicContact CG-CZ 3.86Å |
| 267 | D | 91.6 | Very high | 91.9 | Very high | 127 Ų | 127 | 69 Ų | 69 | 68% | 0.679 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 45.5 | 174.7 | -46.4 | -32.5 | 0 | 0 | 0 | 113.2 | K269 | D267-K269 VanDerWaalsContact C-N 3.29Å; D267-K269 PolarHBondContact O-N 3.22Å |
| 268 | G | 89.8 | Confident | 91.6 | Very high | 37 Ų | 37 | 69.3 Ų | 69.3 | 38% | 0.381 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 12.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E265 K266 | E265-G268 WeakPolarHBondContact OE1-CA 3.49Å; E265-G268 PolarHBondContact OE1-N 2.94Å; K266-G268 VanDerWaalsContact C-N 3.31Å; K266-G268 PolarHBondContact O-N 3.26Å |
| 269 | K | 92.4 | Very high | 91.4 | Very high | 107 Ų | 107 | 70.8 Ų | 70.8 | 47% | 0.465 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138.3 | -179.1 | -66.8 | 166.3 | 178.2 | 177.6 | 0 | 111.3 | T252 E265 K266 D267 Y271 | T252-K269 HydrophobicContact CG2-CD 4.28Å; E265-K269 WeakPolarHBondContact CA-O 3.49Å; K266-K269 PolarHBondContact N-O 3.23Å; K266-K269 WeakPolarHBondContact O-CB 3.39Å; K266-K269 PolarHBondContact O-N 3.04Å; D267-K269 VanDerWaalsContact C-N 3.29Å; D267-K269 PolarHBondContact O-N 3.22Å; K269-Y271 HydrophobicContact CB-CD2 4.44Å; K269-Y271 HydrophobicContact CB-CE2 3.65Å; K269-Y271 WeakPolarHBondContact O-CD2 3.46Å |
| 270 | P | 95.1 | Very high | 91.4 | Very high | 7 Ų | 7 | 72.2 Ų | 72.2 | 5% | 0.045 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 138.1 | 178.6 | 35.9 | -34.6 | 0 | 0 | 0 | 111.2 | L240 F249 T252 F258 F263 | L240-P270 HydrophobicContact CD1-CB 4Å; L240-P270 HydrophobicContact CD1-CG 4.05Å; F249-P270 HydrophobicContact CD2-CG 4.29Å; F249-P270 HydrophobicContact CE2-CB 3.84Å; F249-P270 HydrophobicContact CE2-CG 3.79Å; F249-P270 HydrophobicContact CZ-CB 3.86Å; F249-P270 HydrophobicContact CZ-CG 4.32Å; T252-P270 WeakPolarHBondContact CB-O 3.36Å; T252-P270 PolarHBondContact N-O 3.39Å; T252-P270 WeakPolarHBondContact OG1-CD 3.28Å; T252-P270 PolarHBondContact OG1-O 3.31Å; F258-P270 HydrophobicContact CE2-CB 3.92Å; F258-P270 HydrophobicContact CE2-CG 4.34Å; F258-P270 HydrophobicContact CZ-CB 3.66Å; F258-P270 HydrophobicContact CZ-CG 4.22Å; F263-P270 HydrophobicContact CD2-CB 4Å; F263-P270 HydrophobicContact CG-CB 4.48Å |
| 271 | Y | 95.5 | Very high | 91.5 | Very high | 27 Ų | 27 | 66.4 Ų | 66.4 | 11% | 0.106 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.2 | 178 | -66.6 | -91 | 0 | 0 | 0 | 110.1 | H253 F263 L264 K266 K269 L279 F280 | H253-Y271 HydrophobicContact CB-CD1 4.14Å; H253-Y271 HydrophobicContact CB-CE1 4.16Å; F263-Y271 WeakPolarHBondContact CA-O 3.18Å; L264-Y271 PolarHBondContact N-O 2.8Å; L264-Y271 PolarHBondContact O-N 3.04Å; K266-Y271 HydrophobicContact CB-CD2 3.95Å; K266-Y271 HydrophobicContact CB-CE2 3.81Å; K269-Y271 HydrophobicContact CB-CD2 4.44Å; K269-Y271 HydrophobicContact CB-CE2 3.65Å; K269-Y271 WeakPolarHBondContact O-CD2 3.46Å; Y271-L279 HydrophobicContact CD1-CD1 4.3Å; Y271-L279 HydrophobicContact CE1-CD1 4.17Å; Y271-F280 HydrophobicContact CD1-CE2 4.02Å; Y271-F280 HydrophobicContact CD1-CZ 4.42Å; Y271-F280 AromaticContact CD2-CE2 3.87Å; Y271-F280 HydrophobicContact CD2-CE2 3.87Å; Y271-F280 HydrophobicContact CD2-CZ 4.4Å; Y271-F280 AromaticContact CE1-CE2 3.99Å; Y271-F280 HydrophobicContact CE1-CE2 3.99Å; Y271-F280 AromaticContact CE1-CZ 3.93Å; Y271-F280 HydrophobicContact CE1-CZ 3.93Å; Y271-F280 AromaticContact CE2-CE2 3.85Å; Y271-F280 HydrophobicContact CE2-CE2 3.85Å; Y271-F280 AromaticContact CE2-CZ 3.92Å; Y271-F280 HydrophobicContact CE2-CZ 3.92Å; Y271-F280 AromaticContact CG-CE2 3.96Å; Y271-F280 HydrophobicContact CG-CE2 3.96Å; Y271-F280 AromaticContact CZ-CE2 3.92Å; Y271-F280 AromaticContact CZ-CZ 3.66Å |
| 272 | C | 94.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 62.2 Ų | 62.2 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | trans | -76 | 156 | 171.4 | 70.6 | 0 | 0 | 0 | 0 | 109.5 | C251 F258 R274 D275 F276 | C251-C272 HydrophobicContact CB-CB 4.06Å; C251-C272 PolarHBondContact SG-N 3.15Å; F258-C272 HydrophobicContact CD1-CB 4.35Å; F258-C272 HydrophobicContact CE1-CB 4.2Å; C272-R274 VanDerWaalsContact C-N 3.28Å; C272-R274 PolarHBondContact O-N 3.34Å; C272-D275 PolarHBondContact O-N 3.27Å; C272-D275 VanDerWaalsContact O-N 3.16Å; C272-D275 PolarHBondContact SG-OD1 3.48Å; C272-F276 WeakPolarHBondContact O-CB 3.46Å; C272-F276 PolarHBondContact O-N 2.79Å | ||
| 273 | C | 90.3 | Very high | 91.6 | Very high | 41 Ų | 41 | 67.2 Ų | 67.2 | 28% | 0.277 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.4 | -43.2 | -175.4 | -61 | 0 | 0 | 0 | 0 | 112.7 | L264 Y277 | L264-C273 HydrophobicContact CD1-CB 4.46Å; C273-Y277 HydrophobicContact CB-CE2 4.44Å; C273-Y277 WeakPolarHBondContact O-CD2 3.39Å; C273-Y277 PolarHBondContact O-N 3.37Å; C273-Y277 VanDerWaalsContact O-N 3.12Å |
| 274 | R | 89.9 | Confident | 91.5 | Very high | 157 Ų | 157 | 63.7 Ų | 63.7 | 59% | 0.592 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -55.5 | -55.5 | 176.5 | 179.8 | -176.2 | 66.3 | -153 | -6.6 | 112 | D256 C272 Y277 H278 | D256-R274 IonicContact OD2-NH2 3.88Å; D256-R274 PolarHBondContact OD2-NH2 2.92Å; D256-R274 VanDerWaalsContact OD2-NH2 3.15Å; C272-R274 VanDerWaalsContact C-N 3.28Å; C272-R274 PolarHBondContact O-N 3.34Å; R274-Y277 PolarHBondContact O-N 3.03Å; R274-H278 WeakPolarHBondContact O-CB 3.39Å; R274-H278 PolarHBondContact O-N 2.8Å |
| 275 | D | 92.9 | Very high | 91.4 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.053 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.9 | -35.9 | -172.8 | -67 | 14.7 | 0 | 0 | 0 | 111.1 | H253 C254 C272 Y277 H278 L279 | H253-D275 HydrophobicContact CB-CB 4.22Å; H253-D275 WeakPolarHBondContact CB-OD2 3.47Å; H253-D275 IonicContact CE1-OD2 3.49Å; H253-D275 IonicContact CG-OD2 2.75Å; H253-D275 IonicContact ND1-OD2 3.21Å; H253-D275 PolarHBondContact ND1-OD2 3.14Å; C254-D275 WeakPolarHBondContact CB-OD2 3.18Å; C254-D275 PolarHBondContact N-OD2 3Å; C254-D275 VanDerWaalsContact N-OD2 3.17Å; C254-D275 PolarHBondContact SG-OD2 3.17Å; C272-D275 PolarHBondContact O-N 3.27Å; C272-D275 VanDerWaalsContact O-N 3.16Å; C272-D275 PolarHBondContact SG-OD1 3.48Å; D275-Y277 PolarHBondContact O-N 3.47Å; D275-H278 PolarHBondContact O-N 2.82Å; D275-L279 HydrophobicContact CB-CD1 4.47Å; D275-L279 VanDerWaalsContact O-CB 3.26Å; D275-L279 WeakPolarHBondContact O-CB 3.01Å; D275-L279 WeakPolarHBondContact O-CD1 3.44Å; D275-L279 WeakPolarHBondContact O-CG 3.38Å; D275-L279 PolarHBondContact O-N 2.84Å |
| 276 | F | 92.8 | Very high | 91.2 | Very high | 43 Ų | 43 | 61.9 Ų | 61.9 | 19% | 0.189 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.6 | -49.9 | 173.7 | -177.4 | -82.5 | 0 | 0 | 0 | 111.3 | L264 E265 K266 C272 F280 | L264-F276 HydrophobicContact CB-CB 4.15Å; L264-F276 HydrophobicContact CB-CD1 4.36Å; L264-F276 HydrophobicContact CB-CD2 3.48Å; L264-F276 VanDerWaalsContact CB-CD2 3.48Å; L264-F276 HydrophobicContact CB-CE2 3.88Å; L264-F276 HydrophobicContact CB-CG 3.75Å; L264-F276 HydrophobicContact CB-CZ 4.48Å; L264-F276 HydrophobicContact CD1-CB 3.83Å; L264-F276 HydrophobicContact CD1-CD1 3.51Å; L264-F276 HydrophobicContact CD1-CD2 4.19Å; L264-F276 HydrophobicContact CD1-CE1 4.07Å; L264-F276 HydrophobicContact CD1-CG 3.58Å; L264-F276 HydrophobicContact CG-CD2 4.46Å; L264-F276 HydrophobicContact CG-CG 4.31Å; E265-F276 WeakPolarHBondContact O-CE2 3.47Å; K266-F276 HydrophobicContact CB-CD2 4.36Å; K266-F276 HydrophobicContact CB-CE2 3.97Å; C272-F276 WeakPolarHBondContact O-CB 3.46Å; C272-F276 PolarHBondContact O-N 2.79Å; F276-F280 HydrophobicContact CB-CD2 4.39Å; F276-F280 AromaticContact CD2-CD2 3.68Å; F276-F280 HydrophobicContact CD2-CD2 3.68Å; F276-F280 HydrophobicContact CD2-CE2 4.13Å; F276-F280 HydrophobicContact CE2-CD2 4.07Å; F276-F280 AromaticContact CG-CD2 3.95Å; F276-F280 HydrophobicContact CG-CD2 3.95Å; F276-F280 WeakPolarHBondContact O-CB 3.44Å; F276-F280 WeakPolarHBondContact O-CD2 3.47Å; F276-F280 PolarHBondContact O-N 3.42Å |
| 277 | Y | 88.9 | Confident | 91.1 | Very high | 57 Ų | 57 | 61.1 Ų | 61.1 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.4 | -39.3 | 178.6 | -69.5 | -58.4 | 0 | 0 | 0 | 112.2 | L264 C273 R274 D275 L279 A281 S290 R292 | L264-Y277 HydrophobicContact CD1-CE2 4.31Å; C273-Y277 HydrophobicContact CB-CE2 4.44Å; C273-Y277 WeakPolarHBondContact O-CD2 3.39Å; C273-Y277 PolarHBondContact O-N 3.37Å; C273-Y277 VanDerWaalsContact O-N 3.12Å; R274-Y277 PolarHBondContact O-N 3.03Å; D275-Y277 PolarHBondContact O-N 3.47Å; Y277-L279 VanDerWaalsContact C-N 3.34Å; Y277-L279 PolarHBondContact O-N 2.89Å; Y277-A281 HydrophobicContact CD1-CB 4.17Å; Y277-A281 WeakPolarHBondContact O-CB 3.29Å; Y277-A281 PolarHBondContact O-N 2.67Å; Y277-A281 VanDerWaalsContact O-N 3.14Å; Y277-S290 WeakPolarHBondContact O-CB 3.02Å; Y277-R292 HydrophobicContact CD1-CG 3.86Å; Y277-R292 HydrophobicContact CD2-CG 3.79Å; Y277-R292 HydrophobicContact CE1-CG 4.19Å; Y277-R292 HydrophobicContact CE2-CG 4.14Å; Y277-R292 HydrophobicContact CG-CG 3.67Å |
| 278 | H | 87.2 | Confident | 90.9 | Very high | 113 Ų | 113 | 57 Ų | 57 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65 | -35.6 | 178.2 | -179.5 | -97.5 | 0 | 0 | 0 | 113.3 | R274 D275 | R274-H278 WeakPolarHBondContact O-CB 3.39Å; R274-H278 PolarHBondContact O-N 2.8Å; D275-H278 PolarHBondContact O-N 2.82Å |
| 279 | L | 89.1 | Confident | 90.9 | Very high | 73 Ų | 73 | 60.9 Ų | 60.9 | 38% | 0.382 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -89.1 | -37.7 | -176.9 | -65.3 | 169.9 | 0 | 0 | 0 | 113.9 | H253 Y271 D275 Y277 | H253-L279 HydrophobicContact CB-CD1 3.96Å; Y271-L279 HydrophobicContact CD1-CD1 4.3Å; Y271-L279 HydrophobicContact CE1-CD1 4.17Å; D275-L279 HydrophobicContact CB-CD1 4.47Å; D275-L279 VanDerWaalsContact O-CB 3.26Å; D275-L279 WeakPolarHBondContact O-CB 3.01Å; D275-L279 WeakPolarHBondContact O-CD1 3.44Å; D275-L279 WeakPolarHBondContact O-CG 3.38Å; D275-L279 PolarHBondContact O-N 2.84Å; Y277-L279 VanDerWaalsContact C-N 3.34Å; Y277-L279 PolarHBondContact O-N 2.89Å |
| 280 | F | 89.3 | Confident | 90.8 | Very high | 76 Ų | 76 | 57.3 Ų | 57.3 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -117.9 | -14 | -166.6 | -50.6 | -57.7 | 0 | 0 | 0 | 114.9 | K266 Y271 F276 | K266-F280 HydrophobicContact CB-CD2 4.2Å; K266-F280 HydrophobicContact CB-CE2 3.81Å; K266-F280 HydrophobicContact CB-CZ 4.13Å; K266-F280 HydrophobicContact CG-CD1 4.27Å; K266-F280 HydrophobicContact CG-CD2 4.12Å; K266-F280 HydrophobicContact CG-CE1 4.04Å; K266-F280 HydrophobicContact CG-CE2 3.9Å; K266-F280 HydrophobicContact CG-CG 4.31Å; K266-F280 HydrophobicContact CG-CZ 3.86Å; Y271-F280 HydrophobicContact CD1-CE2 4.02Å; Y271-F280 HydrophobicContact CD1-CZ 4.42Å; Y271-F280 AromaticContact CD2-CE2 3.87Å; Y271-F280 HydrophobicContact CD2-CE2 3.87Å; Y271-F280 HydrophobicContact CD2-CZ 4.4Å; Y271-F280 AromaticContact CE1-CE2 3.99Å; Y271-F280 HydrophobicContact CE1-CE2 3.99Å; Y271-F280 AromaticContact CE1-CZ 3.93Å; Y271-F280 HydrophobicContact CE1-CZ 3.93Å; Y271-F280 AromaticContact CE2-CE2 3.85Å; Y271-F280 HydrophobicContact CE2-CE2 3.85Å; Y271-F280 AromaticContact CE2-CZ 3.92Å; Y271-F280 HydrophobicContact CE2-CZ 3.92Å; Y271-F280 AromaticContact CG-CE2 3.96Å; Y271-F280 HydrophobicContact CG-CE2 3.96Å; Y271-F280 AromaticContact CZ-CE2 3.92Å; Y271-F280 AromaticContact CZ-CZ 3.66Å; F276-F280 HydrophobicContact CB-CD2 4.39Å; F276-F280 AromaticContact CD2-CD2 3.68Å; F276-F280 HydrophobicContact CD2-CD2 3.68Å; F276-F280 HydrophobicContact CD2-CE2 4.13Å; F276-F280 HydrophobicContact CE2-CD2 4.07Å; F276-F280 AromaticContact CG-CD2 3.95Å; F276-F280 HydrophobicContact CG-CD2 3.95Å; F276-F280 WeakPolarHBondContact O-CB 3.44Å; F276-F280 WeakPolarHBondContact O-CD2 3.47Å; F276-F280 PolarHBondContact O-N 3.42Å |
| 281 | A | 89.1 | Confident | 90.5 | Very high | 16 Ų | 16 | 57 Ų | 57 | 13% | 0.132 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -73.8 | 147.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y277 V291 | Y277-A281 HydrophobicContact CD1-CB 4.17Å; Y277-A281 WeakPolarHBondContact O-CB 3.29Å; Y277-A281 PolarHBondContact O-N 2.67Å; Y277-A281 VanDerWaalsContact O-N 3.14Å; A281-V291 WeakPolarHBondContact CB-O 3.44Å |
| 282 | P | 89 | Confident | 89.8 | Confident | 51 Ų | 51 | 63 Ų | 63 | 33% | 0.331 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 142.9 | 173.2 | 27.6 | -35.5 | 0 | 0 | 0 | 110.6 | V291 Y295 T302 | P282-V291 PolarHBondContact O-N 3.29Å; P282-Y295 HydrophobicContact CG-CE1 4.49Å; P282-T302 HydrophobicContact CB-CG2 3.93Å; P282-T302 HydrophobicContact CG-CG2 3.86Å |
| 283 | K | 91 | Very high | 88.9 | Confident | 135 Ų | 135 | 67.5 Ų | 67.5 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | B | Isolated β-bridge | trans | -89.6 | 139.3 | 179 | -67.2 | -172.7 | 171.6 | -162.7 | 0 | 111 | S285 G288 E289 | K283-S285 PolarHBondContact O-N 3.14Å; K283-G288 WeakPolarHBondContact CD-O 3.25Å; K283-E289 CarbonylContact C-O 3.55Å; K283-E289 WeakPolarHBondContact CA-O 3.37Å |
| 284 | C | 92.6 | Very high | 88.6 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.02 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -64.1 | 122.1 | 175.9 | -178.9 | 0 | 0 | 0 | 0 | 110 | G286 C287 G288 E289 V291 T302 C307 | C284-G286 PolarHBondContact O-N 3.38Å; C284-G286 PolarHBondContact SG-N 3.41Å; C284-G286 VanDerWaalsContact SG-N 3.4Å; C284-C287 WeakPolarHBondContact CB-SG 3.47Å; C284-C287 PolarHBondContact O-N 3.4Å; C284-G288 VanDerWaalsContact O-CA 3.29Å; C284-G288 WeakPolarHBondContact O-CA 3.38Å; C284-G288 PolarHBondContact O-N 3.32Å; C284-E289 WeakPolarHBondContact CB-O 3.46Å; C284-E289 PolarHBondContact N-O 2.79Å; C284-V291 HydrophobicContact CB-CG2 3.65Å; C284-T302 CarbonylContact C-O 3.54Å; C284-T302 VanDerWaalsContact CA-O 3.25Å; C284-T302 WeakPolarHBondContact CA-O 3.48Å; C284-C307 WeakPolarHBondContact SG-CB 3.42Å |
| 285 | S | 91.2 | Very high | 88.5 | Confident | 70 Ų | 70 | 70.1 Ų | 70.1 | 49% | 0.49 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -15.4 | 177 | -58.2 | 0 | 0 | 0 | 0 | 113.5 | K283 G301 T302 W303 | K283-S285 PolarHBondContact O-N 3.14Å; S285-G301 WeakPolarHBondContact OG-CA 3.45Å; S285-T302 PolarHBondContact N-O 3.18Å; S285-T302 PolarHBondContact OG-O 3.37Å; S285-W303 VanDerWaalsContact CB-CZ2 3.47Å |
| 286 | G | 89.4 | Confident | 88.3 | Confident | 50 Ų | 50 | 73.1 Ų | 73.1 | 52% | 0.515 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | C284 | C284-G286 PolarHBondContact O-N 3.38Å; C284-G286 PolarHBondContact SG-N 3.41Å; C284-G286 VanDerWaalsContact SG-N 3.4Å |
| 287 | C | 90.9 | Very high | 88.2 | Confident | 64 Ų | 64 | 76.2 Ų | 76.2 | 43% | 0.432 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.9 | -9.2 | -175.6 | 65 | 0 | 0 | 0 | 0 | 115.4 | C284 E289 H304 | C284-C287 WeakPolarHBondContact CB-SG 3.47Å; C284-C287 PolarHBondContact O-N 3.4Å; C287-E289 PolarHBondContact O-N 3.17Å; C287-H304 PolarHBondContact SG-ND1 2.92Å; C287-H304 VanDerWaalsContact SG-ND1 3.41Å |
| 288 | G | 88.4 | Confident | 88.2 | Confident | 40 Ų | 40 | 74.4 Ų | 74.4 | 41% | 0.412 | 40% | 0.403 | S | S | . | . | trans | 81.6 | -14.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | K283 C284 | K283-G288 WeakPolarHBondContact CD-O 3.25Å; C284-G288 VanDerWaalsContact O-CA 3.29Å; C284-G288 WeakPolarHBondContact O-CA 3.38Å; C284-G288 PolarHBondContact O-N 3.32Å | ||
| 289 | E | 89 | Confident | 88.1 | Confident | 119 Ų | 119 | 69.3 Ų | 69.3 | 56% | 0.556 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 152.5 | -178.8 | -65.2 | -57.4 | 151.9 | 0 | 0 | 113.5 | K283 C284 C287 | K283-E289 CarbonylContact C-O 3.55Å; K283-E289 WeakPolarHBondContact CA-O 3.37Å; C284-E289 WeakPolarHBondContact CB-O 3.46Å; C284-E289 PolarHBondContact N-O 2.79Å; C287-E289 PolarHBondContact O-N 3.17Å |
| 290 | S | 90.7 | Very high | 87.9 | Confident | 32 Ų | 32 | 73.3 Ų | 73.3 | 22% | 0.224 | 40% | 0.402 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 129.4 | 176.8 | 51 | 0 | 0 | 0 | 0 | 111.9 | Y277 | Y277-S290 WeakPolarHBondContact O-CB 3.02Å |
| 291 | V | 88.8 | Confident | 88 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.012 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -99.5 | 122.9 | -179.3 | -162.5 | 0 | 0 | 0 | 0 | 111.1 | A281 P282 C284 Y295 T302 H304 | A281-V291 WeakPolarHBondContact CB-O 3.44Å; P282-V291 PolarHBondContact O-N 3.29Å; C284-V291 HydrophobicContact CB-CG2 3.65Å; V291-Y295 VanDerWaalsContact CG1-CB 3.43Å; V291-Y295 HydrophobicContact CG1-CD1 4.4Å; V291-Y295 HydrophobicContact CG1-CG 4.29Å; V291-T302 HydrophobicContact CB-CG2 4.26Å; V291-T302 HydrophobicContact CG2-CG2 4.1Å; V291-H304 VanDerWaalsContact CG1-CD2 3.49Å; V291-H304 WeakPolarHBondContact CG1-CD2 3.49Å |
| 292 | R | 79.8 | Confident | 88.2 | Confident | 153 Ų | 153 | 70.6 Ų | 70.6 | 58% | 0.577 | 39% | 0.393 | S | S | * | . | trans | -78.2 | -79 | -179.3 | -80.9 | 178.1 | 51.1 | -172.3 | -7.6 | 113.3 | Y277 | Y277-R292 HydrophobicContact CD1-CG 3.86Å; Y277-R292 HydrophobicContact CD2-CG 3.79Å; Y277-R292 HydrophobicContact CE1-CG 4.19Å; Y277-R292 HydrophobicContact CE2-CG 4.14Å; Y277-R292 HydrophobicContact CG-CG 3.67Å | ||
| 293 | E | 77.4 | Confident | 88.3 | Confident | 112 Ų | 112 | 69 Ų | 69 | 52% | 0.523 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -135.3 | 158.2 | -165.5 | -68.6 | 158.3 | -116.5 | 0 | 0 | 108.7 | Y295 | E293-Y295 PolarHBondContact O-N 2.82Š|
| 294 | N | 83.2 | Confident | 88.4 | Confident | 147 Ų | 147 | 65 Ų | 65 | 79% | 0.786 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 53.6 | 46.8 | -178.7 | -61.3 | -21.8 | 0 | 0 | 0 | 114.2 | P305 | N294-P305 WeakPolarHBondContact O-CD 3.18Å; N294-P305 WeakPolarHBondContact O-CG 3.41Å |
| 295 | Y | 87.9 | Confident | 88.3 | Confident | 106 Ų | 106 | 68.5 Ų | 68.5 | 42% | 0.416 | 39% | 0.386 | S | S | . | . | trans | -92.9 | 155.8 | 177.8 | 63.8 | -102.8 | 0 | 0 | 0 | 113.4 | P282 V291 E293 T297 T302 | P282-Y295 HydrophobicContact CG-CE1 4.49Å; V291-Y295 VanDerWaalsContact CG1-CB 3.43Å; V291-Y295 HydrophobicContact CG1-CD1 4.4Å; V291-Y295 HydrophobicContact CG1-CG 4.29Å; E293-Y295 PolarHBondContact O-N 2.82Å; Y295-T297 WeakPolarHBondContact CE2-OG1 3.39Å; Y295-T302 HydrophobicContact CD2-CG2 3.49Å; Y295-T302 VanDerWaalsContact CD2-CG2 3.49Å; Y295-T302 HydrophobicContact CE2-CG2 4.03Å; Y295-T302 HydrophobicContact CG-CG2 3.8Å | ||
| 296 | L | 89.1 | Confident | 88.3 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 38% | 0.382 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 132.3 | 173.9 | -59.2 | 179.7 | 0 | 0 | 0 | 109.8 | T302 W303 P305 F308 | L296-T302 CarbonylContact O-C 3.52Å; L296-T302 WeakPolarHBondContact O-CA 3.46Å; L296-W303 HydrophobicContact CB-CB 4.44Å; L296-W303 PolarHBondContact N-O 3.2Å; L296-W303 PolarHBondContact O-N 3.48Å; L296-P305 HydrophobicContact CD1-CB 4.47Å; L296-P305 HydrophobicContact CG-CG 4.49Å; L296-F308 HydrophobicContact CD1-CB 3.78Å; L296-F308 HydrophobicContact CD1-CD1 4.07Å; L296-F308 HydrophobicContact CD1-CG 4.04Å |
| 297 | T | 90.7 | Very high | 88.5 | Confident | 108 Ų | 108 | 72.8 Ų | 72.8 | 66% | 0.663 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 108.3 | 169.6 | -55.5 | 0 | 0 | 0 | 0 | 108.3 | Y295 G301 | Y295-T297 WeakPolarHBondContact CE2-OG1 3.39Å; T297-G301 WeakPolarHBondContact CA-O 3.48Å |
| 298 | A | 88.4 | Confident | 88.6 | Confident | 19 Ų | 19 | 70.7 Ų | 70.7 | 16% | 0.157 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 159.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | N300 G301 W303 F308 F322 | A298-N300 PolarHBondContact O-N 2.97Å; A298-G301 PolarHBondContact N-O 2.94Å; A298-G301 CarbonylContact O-C 3.55Å; A298-G301 PolarHBondContact O-N 3.13Å; A298-W303 PolarHBondContact O-NE1 2.88Å; A298-F308 HydrophobicContact CB-CD2 4.38Å; A298-F308 HydrophobicContact CB-CE1 4.49Å; A298-F308 HydrophobicContact CB-CE2 3.55Å; A298-F308 HydrophobicContact CB-CZ 3.62Å; A298-F322 HydrophobicContact CB-CE1 4.43Å; A298-F322 HydrophobicContact CB-CE2 4.41Å; A298-F322 HydrophobicContact CB-CZ 3.86Å |
| 299 | A | 85.8 | Confident | 88.8 | Confident | 6 Ų | 6 | 70 Ų | 70 | 5% | 0.05 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 43.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G301 W303 E324 P329 | A299-G301 PolarHBondContact O-N 2.8Å; A299-W303 HydrophobicContact CB-CZ2 4.35Å; A299-E324 WeakPolarHBondContact CA-OE2 3.37Å; A299-E324 HydrophobicContact CB-CG 3.98Å; A299-P329 HydrophobicContact CB-CB 4.35Å |
| 300 | N | 84.9 | Confident | 89 | Confident | 158 Ų | 158 | 64.4 Ų | 64.4 | 85% | 0.845 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 23.4 | -173.8 | -67.7 | 10.3 | 0 | 0 | 0 | 115.9 | A298 | A298-N300 PolarHBondContact O-N 2.97Š|
| 301 | G | 90 | Very high | 89 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 12% | 0.124 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 169.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S285 T297 A298 A299 | S285-G301 WeakPolarHBondContact OG-CA 3.45Å; T297-G301 WeakPolarHBondContact CA-O 3.48Å; A298-G301 PolarHBondContact N-O 2.94Å; A298-G301 CarbonylContact O-C 3.55Å; A298-G301 PolarHBondContact O-N 3.13Å; A299-G301 PolarHBondContact O-N 2.8Å |
| 302 | T | 93 | Very high | 89.2 | Confident | 23 Ų | 23 | 67.6 Ų | 67.6 | 14% | 0.141 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 141.4 | 169.8 | -60.4 | 0 | 0 | 0 | 0 | 108.8 | P282 C284 S285 V291 Y295 L296 | P282-T302 HydrophobicContact CB-CG2 3.93Å; P282-T302 HydrophobicContact CG-CG2 3.86Å; C284-T302 CarbonylContact C-O 3.54Å; C284-T302 VanDerWaalsContact CA-O 3.25Å; C284-T302 WeakPolarHBondContact CA-O 3.48Å; S285-T302 PolarHBondContact N-O 3.18Å; S285-T302 PolarHBondContact OG-O 3.37Å; V291-T302 HydrophobicContact CB-CG2 4.26Å; V291-T302 HydrophobicContact CG2-CG2 4.1Å; Y295-T302 HydrophobicContact CD2-CG2 3.49Å; Y295-T302 VanDerWaalsContact CD2-CG2 3.49Å; Y295-T302 HydrophobicContact CE2-CG2 4.03Å; Y295-T302 HydrophobicContact CG-CG2 3.8Å; L296-T302 CarbonylContact O-C 3.52Å; L296-T302 WeakPolarHBondContact O-CA 3.46Å |
| 303 | W | 92.6 | Very high | 89.8 | Confident | 17 Ų | 17 | 62.4 Ų | 62.4 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 144 | -174.2 | -51.3 | 79.2 | 0 | 0 | 0 | 111.2 | S285 L296 A298 A299 F308 P329 | S285-W303 VanDerWaalsContact CB-CZ2 3.47Å; L296-W303 HydrophobicContact CB-CB 4.44Å; L296-W303 PolarHBondContact N-O 3.2Å; L296-W303 PolarHBondContact O-N 3.48Å; A298-W303 PolarHBondContact O-NE1 2.88Å; A299-W303 HydrophobicContact CB-CZ2 4.35Å; W303-F308 HydrophobicContact CB-CB 4.1Å; W303-F308 HydrophobicContact CB-CD2 4.17Å; W303-F308 AromaticContact CD1-CD2 3.82Å; W303-F308 AromaticContact CD2-CD2 3.75Å; W303-F308 HydrophobicContact CD2-CD2 3.75Å; W303-F308 HydrophobicContact CD2-CE2 4.46Å; W303-F308 HydrophobicContact CE3-CD2 4.28Å; W303-F308 HydrophobicContact CG-CB 4.46Å; W303-F308 AromaticContact CG-CD2 3.67Å; W303-F308 HydrophobicContact CG-CD2 3.67Å; W303-F308 HydrophobicContact CG-CE2 4.47Å; W303-P329 HydrophobicContact CH2-CG 3.91Å; W303-P329 HydrophobicContact CZ2-CG 4.06Å; W303-P329 HydrophobicContact CZ3-CG 4.33Å |
| 304 | H | 92.4 | Very high | 90.4 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | trans | -62.6 | 145.1 | 156.6 | -61.1 | 113.7 | 0 | 0 | 0 | 109.2 | C287 V291 E306 C307 F308 | C287-H304 PolarHBondContact SG-ND1 2.92Å; C287-H304 VanDerWaalsContact SG-ND1 3.41Å; V291-H304 VanDerWaalsContact CG1-CD2 3.49Å; V291-H304 WeakPolarHBondContact CG1-CD2 3.49Å; H304-E306 PolarHBondContact O-N 3.16Å; H304-C307 HydrophobicContact CB-CB 3.97Å; H304-C307 PolarHBondContact O-N 3.31Å; H304-F308 PolarHBondContact O-N 3.34Å; H304-F308 VanDerWaalsContact O-N 3.13Å | ||
| 305 | P | 90.8 | Very high | 90.8 | Very high | 76 Ų | 76 | 63 Ų | 63 | 49% | 0.494 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -52.4 | -38.7 | 175.1 | -28.3 | 35.9 | 0 | 0 | 0 | 113.3 | N294 L296 | N294-P305 WeakPolarHBondContact O-CD 3.18Å; N294-P305 WeakPolarHBondContact O-CG 3.41Å; L296-P305 HydrophobicContact CD1-CB 4.47Å; L296-P305 HydrophobicContact CG-CG 4.49Å |
| 306 | E | 90.9 | Very high | 91 | Very high | 179 Ų | 179 | 62.5 Ų | 62.5 | 84% | 0.836 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -74.5 | -25.1 | 177.7 | -63.5 | 171.8 | -156.3 | 0 | 0 | 113.5 | H304 | H304-E306 PolarHBondContact O-N 3.16Š|
| 307 | C | 92.6 | Very high | 91 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 22% | 0.216 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -86.2 | -12.3 | 177.4 | -65.2 | 0 | 0 | 0 | 0 | 113.2 | C284 H304 V309 | C284-C307 WeakPolarHBondContact SG-CB 3.42Å; H304-C307 HydrophobicContact CB-CB 3.97Å; H304-C307 PolarHBondContact O-N 3.31Å; C307-V309 VanDerWaalsContact C-N 3.27Å; C307-V309 PolarHBondContact O-N 3.19Å |
| 308 | F | 93.2 | Very high | 90.4 | Very high | 19 Ų | 19 | 60.7 Ų | 60.7 | 8% | 0.083 | 34% | 0.343 | C | S | . | . | trans | -81.6 | 75.3 | 178.8 | -166.7 | -108.6 | 0 | 0 | 0 | 111 | L296 A298 W303 H304 F317 F322 P329 | L296-F308 HydrophobicContact CD1-CB 3.78Å; L296-F308 HydrophobicContact CD1-CD1 4.07Å; L296-F308 HydrophobicContact CD1-CG 4.04Å; A298-F308 HydrophobicContact CB-CD2 4.38Å; A298-F308 HydrophobicContact CB-CE1 4.49Å; A298-F308 HydrophobicContact CB-CE2 3.55Å; A298-F308 HydrophobicContact CB-CZ 3.62Å; W303-F308 HydrophobicContact CB-CB 4.1Å; W303-F308 HydrophobicContact CB-CD2 4.17Å; W303-F308 AromaticContact CD1-CD2 3.82Å; W303-F308 AromaticContact CD2-CD2 3.75Å; W303-F308 HydrophobicContact CD2-CD2 3.75Å; W303-F308 HydrophobicContact CD2-CE2 4.46Å; W303-F308 HydrophobicContact CE3-CD2 4.28Å; W303-F308 HydrophobicContact CG-CB 4.46Å; W303-F308 AromaticContact CG-CD2 3.67Å; W303-F308 HydrophobicContact CG-CD2 3.67Å; W303-F308 HydrophobicContact CG-CE2 4.47Å; H304-F308 PolarHBondContact O-N 3.34Å; H304-F308 VanDerWaalsContact O-N 3.13Å; F308-F317 AromaticContact CD1-CD2 3.61Å; F308-F317 HydrophobicContact CD1-CD2 3.61Å; F308-F317 AromaticContact CD1-CE2 3.71Å; F308-F317 HydrophobicContact CD1-CE2 3.71Å; F308-F317 AromaticContact CE1-CD2 3.56Å; F308-F317 HydrophobicContact CE1-CD2 3.56Å; F308-F317 AromaticContact CE1-CE2 3.61Å; F308-F317 HydrophobicContact CE1-CE2 3.61Å; F308-F317 HydrophobicContact CG-CE2 4.29Å; F308-F317 HydrophobicContact CZ-CD2 4.46Å; F308-F317 HydrophobicContact CZ-CE2 4.11Å; F308-F317 WeakPolarHBondContact O-CD2 3.45Å; F308-F317 WeakPolarHBondContact O-CE2 3.44Å; F308-F322 HydrophobicContact CE1-CB 4.45Å; F308-F322 AromaticContact CE1-CD1 3.7Å; F308-F322 HydrophobicContact CE1-CD1 3.7Å; F308-F322 HydrophobicContact CE1-CE1 4.03Å; F308-F322 AromaticContact CE1-CG 3.99Å; F308-F322 HydrophobicContact CE1-CG 3.99Å; F308-F322 HydrophobicContact CZ-CB 4.43Å; F308-F322 AromaticContact CZ-CD1 3.71Å; F308-F322 HydrophobicContact CZ-CD1 3.71Å; F308-F322 AromaticContact CZ-CD2 3.82Å; F308-F322 HydrophobicContact CZ-CD2 3.82Å; F308-F322 AromaticContact CZ-CE1 3.81Å; F308-F322 HydrophobicContact CZ-CE1 3.81Å; F308-F322 AromaticContact CZ-CE2 3.93Å; F308-F322 HydrophobicContact CZ-CE2 3.93Å; F308-F322 AromaticContact CZ-CG 3.71Å; F308-F322 HydrophobicContact CZ-CG 3.71Å; F308-F322 AromaticContact CZ-CZ 3.93Å; F308-F322 HydrophobicContact CZ-CZ 3.93Å; F308-P329 HydrophobicContact CD2-CB 4.37Å; F308-P329 HydrophobicContact CD2-CG 4.09Å; F308-P329 HydrophobicContact CE2-CB 3.6Å; F308-P329 HydrophobicContact CE2-CG 3.73Å; F308-P329 HydrophobicContact CZ-CB 3.78Å; F308-P329 HydrophobicContact CZ-CG 4.38Å | ||
| 309 | V | 93.1 | Very high | 89.9 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -122.2 | 160.7 | -177.5 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | C307 A311 L314 P316 | C307-V309 VanDerWaalsContact C-N 3.27Å; C307-V309 PolarHBondContact O-N 3.19Å; V309-A311 PolarHBondContact O-N 3.27Å; V309-L314 HydrophobicContact CG2-CB 4.38Å; V309-L314 HydrophobicContact CG2-CD2 4.26Å; V309-P316 HydrophobicContact CG1-CG 4.14Å |
| 310 | C | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -62.3 | 122.1 | 176.5 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | D312 C313 L314 K315 F317 P329 C331 H334 | C310-D312 PolarHBondContact O-N 2.96Å; C310-C313 PolarHBondContact O-N 3.22Å; C310-C313 VanDerWaalsContact SG-SG 3.62Å; C310-L314 WeakPolarHBondContact O-CA 3.37Å; C310-L314 PolarHBondContact O-N 3.4Å; C310-K315 PolarHBondContact N-O 3.39Å; C310-F317 HydrophobicContact CB-CE1 3.98Å; C310-F317 HydrophobicContact CB-CZ 4.05Å; C310-P329 WeakPolarHBondContact CA-O 3.28Å; C310-C331 HydrophobicContact CB-CB 4.02Å; C310-C331 PolarHBondContact SG-N 3.26Å; C310-H334 PolarHBondContact SG-ND1 2.97Å | ||
| 311 | A | 91.6 | Very high | 89.3 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 34% | 0.339 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V309 R328 P329 L330 | V309-A311 PolarHBondContact O-N 3.27Å; A311-R328 HydrophobicContact CB-CB 4.22Å; A311-P329 PolarHBondContact N-O 3.47Å; A311-L330 HydrophobicContact CB-CD2 4.05Å |
| 312 | D | 91.3 | Very high | 89.4 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 32% | 0.321 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -23 | -178 | -73.5 | -4.1 | 0 | 0 | 0 | 114.9 | C310 L330 H334 R338 | C310-D312 PolarHBondContact O-N 2.96Å; D312-L330 HydrophobicContact CB-CD2 4.27Å; D312-H334 HydrophobicContact CB-CB 3.98Å; D312-H334 WeakPolarHBondContact OD2-CB 3.38Å; D312-H334 IonicContact OD2-CD2 3.9Å; D312-H334 IonicContact OD2-CG 3.79Å; D312-R338 IonicContact OD1-CZ 3.62Å; D312-R338 IonicContact OD1-NE 2.79Å; D312-R338 PolarHBondContact OD1-NE 3.22Å; D312-R338 IonicContact OD1-NH2 3.59Å; D312-R338 PolarHBondContact OD1-NH2 3.2Å; D312-R338 IonicContact OD2-CZ 2.67Å; D312-R338 IonicContact OD2-NE 3.42Å; D312-R338 PolarHBondContact OD2-NE 2.96Å; D312-R338 IonicContact OD2-NH2 3.15Å |
| 313 | C | 92.8 | Very high | 89.2 | Confident | 44 Ų | 44 | 70.7 Ų | 70.7 | 30% | 0.297 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | -0.4 | -176.7 | 67 | 0 | 0 | 0 | 0 | 115.1 | C310 K315 H334 | C310-C313 PolarHBondContact O-N 3.22Å; C310-C313 VanDerWaalsContact SG-SG 3.62Å; C313-K315 PolarHBondContact O-N 3.33Å; C313-H334 VanDerWaalsContact CB-CE1 3.49Å; C313-H334 WeakPolarHBondContact CB-CE1 3.48Å; C313-H334 VanDerWaalsContact SG-CE1 3.59Å |
| 314 | L | 91.5 | Very high | 89.2 | Confident | 129 Ų | 129 | 73.6 Ų | 73.6 | 68% | 0.675 | 42% | 0.418 | S | S | * | . | trans | 56 | 21.5 | 177 | -49.5 | 178.9 | 0 | 0 | 0 | 114.3 | V309 C310 | V309-L314 HydrophobicContact CG2-CB 4.38Å; V309-L314 HydrophobicContact CG2-CD2 4.26Å; C310-L314 WeakPolarHBondContact O-CA 3.37Å; C310-L314 PolarHBondContact O-N 3.4Å | ||
| 315 | K | 91.6 | Very high | 89 | Confident | 143 Ų | 143 | 73.5 Ų | 73.5 | 62% | 0.622 | 42% | 0.419 | S | S | * | . | trans | -92.1 | 140.9 | 175.4 | -64.2 | -172.9 | -179.3 | -175.6 | 0 | 111 | C310 C313 | C310-K315 PolarHBondContact N-O 3.39Å; C313-K315 PolarHBondContact O-N 3.33Å | ||
| 316 | P | 90.9 | Very high | 88.8 | Confident | 95 Ų | 95 | 76.5 Ų | 76.5 | 62% | 0.617 | 43% | 0.43 | S | S | * | . | B | Isolated β-bridge | trans | -58.5 | 158.9 | 168.4 | -23.8 | 34.1 | 0 | 0 | 0 | 112.9 | V309 S318 | V309-P316 HydrophobicContact CG1-CG 4.14Å; P316-S318 PolarHBondContact O-N 3.04Å |
| 317 | F | 90 | Very high | 88.4 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 11% | 0.114 | 41% | 0.406 | C | S | . | . | trans | -83.6 | 94.2 | 178.8 | -59 | -76.1 | 0 | 0 | 0 | 111 | F308 C310 D319 G320 C321 F322 P329 C331 | F308-F317 AromaticContact CD1-CD2 3.61Å; F308-F317 HydrophobicContact CD1-CD2 3.61Å; F308-F317 AromaticContact CD1-CE2 3.71Å; F308-F317 HydrophobicContact CD1-CE2 3.71Å; F308-F317 AromaticContact CE1-CD2 3.56Å; F308-F317 HydrophobicContact CE1-CD2 3.56Å; F308-F317 AromaticContact CE1-CE2 3.61Å; F308-F317 HydrophobicContact CE1-CE2 3.61Å; F308-F317 HydrophobicContact CG-CE2 4.29Å; F308-F317 HydrophobicContact CZ-CD2 4.46Å; F308-F317 HydrophobicContact CZ-CE2 4.11Å; F308-F317 WeakPolarHBondContact O-CD2 3.45Å; F308-F317 WeakPolarHBondContact O-CE2 3.44Å; C310-F317 HydrophobicContact CB-CE1 3.98Å; C310-F317 HydrophobicContact CB-CZ 4.05Å; F317-D319 VanDerWaalsContact C-N 3.25Å; F317-D319 PolarHBondContact O-N 3.49Å; F317-D319 VanDerWaalsContact O-N 3.16Å; F317-G320 PolarHBondContact O-N 3.47Å; F317-C321 WeakPolarHBondContact CD1-O 3.3Å; F317-F322 HydrophobicContact CD1-CB 3.59Å; F317-F322 HydrophobicContact CD2-CB 4.18Å; F317-F322 HydrophobicContact CE1-CB 3.53Å; F317-F322 HydrophobicContact CE2-CB 4.12Å; F317-F322 HydrophobicContact CG-CB 3.92Å; F317-F322 HydrophobicContact CZ-CB 3.82Å; F317-P329 HydrophobicContact CE2-CB 4.03Å; F317-P329 HydrophobicContact CZ-CB 3.74Å; F317-P329 HydrophobicContact CZ-CG 4.43Å; F317-C331 HydrophobicContact CD1-CB 4.4Å; F317-C331 HydrophobicContact CE1-CB 4.18Å | ||
| 318 | S | 78.3 | Confident | 88.2 | Confident | 117 Ų | 117 | 75.2 Ų | 75.2 | 82% | 0.818 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -38.6 | -173.7 | -46.1 | 0 | 0 | 0 | 0 | 114.6 | P316 | P316-S318 PolarHBondContact O-N 3.04Š|
| 319 | D | 76.5 | Confident | 88.2 | Confident | 145 Ų | 145 | 74.4 Ų | 74.4 | 78% | 0.775 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 12.1 | -175.2 | -51.4 | -47.2 | 0 | 0 | 0 | 112.4 | F317 C321 | F317-D319 VanDerWaalsContact C-N 3.25Å; F317-D319 PolarHBondContact O-N 3.49Å; F317-D319 VanDerWaalsContact O-N 3.16Å; D319-C321 HydrophobicContact CB-CB 4.48Å; D319-C321 PolarHBondContact O-N 3.23Å |
| 320 | G | 76.4 | Confident | 88.2 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 56% | 0.557 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 66 | -10.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F317 | F317-G320 PolarHBondContact O-N 3.47Š|
| 321 | C | 83.1 | Confident | 88.1 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | trans | -79.2 | 121.2 | 179.4 | -63.2 | 0 | 0 | 0 | 0 | 111.2 | F317 D319 | F317-C321 WeakPolarHBondContact CD1-O 3.3Å; D319-C321 HydrophobicContact CB-CB 4.48Å; D319-C321 PolarHBondContact O-N 3.23Å | ||
| 322 | F | 90.9 | Very high | 88 | Confident | 73 Ų | 73 | 75.4 Ų | 75.4 | 32% | 0.32 | 42% | 0.423 | S | S | . | . | trans | -129.8 | 158.7 | 169.7 | 68.8 | -84.5 | 0 | 0 | 0 | 109.6 | A298 F308 F317 P329 | A298-F322 HydrophobicContact CB-CE1 4.43Å; A298-F322 HydrophobicContact CB-CE2 4.41Å; A298-F322 HydrophobicContact CB-CZ 3.86Å; F308-F322 HydrophobicContact CE1-CB 4.45Å; F308-F322 AromaticContact CE1-CD1 3.7Å; F308-F322 HydrophobicContact CE1-CD1 3.7Å; F308-F322 HydrophobicContact CE1-CE1 4.03Å; F308-F322 AromaticContact CE1-CG 3.99Å; F308-F322 HydrophobicContact CE1-CG 3.99Å; F308-F322 HydrophobicContact CZ-CB 4.43Å; F308-F322 AromaticContact CZ-CD1 3.71Å; F308-F322 HydrophobicContact CZ-CD1 3.71Å; F308-F322 AromaticContact CZ-CD2 3.82Å; F308-F322 HydrophobicContact CZ-CD2 3.82Å; F308-F322 AromaticContact CZ-CE1 3.81Å; F308-F322 HydrophobicContact CZ-CE1 3.81Å; F308-F322 AromaticContact CZ-CE2 3.93Å; F308-F322 HydrophobicContact CZ-CE2 3.93Å; F308-F322 AromaticContact CZ-CG 3.71Å; F308-F322 HydrophobicContact CZ-CG 3.71Å; F308-F322 AromaticContact CZ-CZ 3.93Å; F308-F322 HydrophobicContact CZ-CZ 3.93Å; F317-F322 HydrophobicContact CD1-CB 3.59Å; F317-F322 HydrophobicContact CD2-CB 4.18Å; F317-F322 HydrophobicContact CE1-CB 3.53Å; F317-F322 HydrophobicContact CE2-CB 4.12Å; F317-F322 HydrophobicContact CG-CB 3.92Å; F317-F322 HydrophobicContact CZ-CB 3.82Å; F322-P329 HydrophobicContact CD2-CB 4.23Å | ||
| 323 | M | 89.9 | Confident | 88 | Confident | 73 Ų | 73 | 76.7 Ų | 76.7 | 36% | 0.36 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 139.1 | 170.5 | -57.9 | -62.3 | -72.6 | 0 | 0 | 108.3 | L330 F335 | M323-L330 PolarHBondContact N-O 2.93Å; M323-L330 PolarHBondContact O-N 3Å; M323-F335 HydrophobicContact CB-CB 3.77Å; M323-F335 HydrophobicContact CB-CD1 3.68Å; M323-F335 HydrophobicContact CB-CD2 3.52Å; M323-F335 HydrophobicContact CB-CE1 4.04Å; M323-F335 HydrophobicContact CB-CE2 3.91Å; M323-F335 HydrophobicContact CB-CG 3.38Å; M323-F335 HydrophobicContact CB-CZ 4.14Å; M323-F335 HydrophobicContact CE-CD1 3.87Å; M323-F335 HydrophobicContact CE-CE1 3.3Å; M323-F335 HydrophobicContact CE-CZ 3.75Å; M323-F335 HydrophobicContact CG-CB 4.11Å; M323-F335 HydrophobicContact CG-CD1 3.65Å; M323-F335 HydrophobicContact CG-CD2 4.42Å; M323-F335 HydrophobicContact CG-CE1 4.07Å; M323-F335 HydrophobicContact CG-CG 3.83Å |
| 324 | E | 90.9 | Very high | 87.9 | Confident | 78 Ų | 78 | 77.1 Ų | 77.1 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 137 | 176.5 | -174.4 | -178.2 | 166.1 | 0 | 0 | 110.9 | A299 G327 F335 | A299-E324 WeakPolarHBondContact CA-OE2 3.37Å; A299-E324 HydrophobicContact CB-CG 3.98Å; E324-G327 WeakPolarHBondContact OE1-CA 3.39Å; E324-F335 WeakPolarHBondContact O-CE2 3.49Å |
| 325 | L | 89.3 | Confident | 88 | Confident | 49 Ų | 49 | 72 Ų | 72 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 125.3 | 166.6 | -168.6 | 69.3 | 0 | 0 | 0 | 108.5 | G327 R328 L330 F335 R338 | L325-G327 VanDerWaalsContact C-N 3.29Å; L325-G327 PolarHBondContact O-N 2.97Å; L325-R328 PolarHBondContact N-O 2.93Å; L325-R328 WeakPolarHBondContact O-CB 3.22Å; L325-R328 PolarHBondContact O-N 3.2Å; L325-L330 HydrophobicContact CB-CD1 3.7Å; L325-L330 HydrophobicContact CD2-CD1 4.04Å; L325-F335 HydrophobicContact CB-CD2 4.2Å; L325-F335 HydrophobicContact CB-CE2 4.22Å; L325-F335 HydrophobicContact CD1-CE2 4.27Å; L325-R338 HydrophobicContact CD2-CB 4.26Å |
| 326 | D | 85.5 | Confident | 87.9 | Confident | 139 Ų | 139 | 66.6 Ų | 66.6 | 74% | 0.743 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 40.9 | -179.6 | -50 | -43.1 | 0 | 0 | 0 | 114.2 | R328 | D326-R328 PolarHBondContact O-N 3.49Š|
| 327 | G | 83.6 | Confident | 87.8 | Confident | 32 Ų | 32 | 65.1 Ų | 65.1 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 13.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | E324 L325 | E324-G327 WeakPolarHBondContact OE1-CA 3.39Å; L325-G327 VanDerWaalsContact C-N 3.29Å; L325-G327 PolarHBondContact O-N 2.97Å |
| 328 | R | 88.9 | Confident | 87.8 | Confident | 152 Ų | 152 | 70.1 Ų | 70.1 | 57% | 0.574 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.6 | -179.4 | -56.9 | -176 | -175.6 | -154.2 | -0.7 | 111.1 | A311 L325 D326 | A311-R328 HydrophobicContact CB-CB 4.22Å; L325-R328 PolarHBondContact N-O 2.93Å; L325-R328 WeakPolarHBondContact O-CB 3.22Å; L325-R328 PolarHBondContact O-N 3.2Å; D326-R328 PolarHBondContact O-N 3.49Å |
| 329 | P | 93.2 | Very high | 88.2 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.013 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 129.1 | 175.8 | 33.4 | -35.5 | 0 | 0 | 0 | 110.3 | A299 W303 F308 C310 A311 F317 F322 | A299-P329 HydrophobicContact CB-CB 4.35Å; W303-P329 HydrophobicContact CH2-CG 3.91Å; W303-P329 HydrophobicContact CZ2-CG 4.06Å; W303-P329 HydrophobicContact CZ3-CG 4.33Å; F308-P329 HydrophobicContact CD2-CB 4.37Å; F308-P329 HydrophobicContact CD2-CG 4.09Å; F308-P329 HydrophobicContact CE2-CB 3.6Å; F308-P329 HydrophobicContact CE2-CG 3.73Å; F308-P329 HydrophobicContact CZ-CB 3.78Å; F308-P329 HydrophobicContact CZ-CG 4.38Å; C310-P329 WeakPolarHBondContact CA-O 3.28Å; A311-P329 PolarHBondContact N-O 3.47Å; F317-P329 HydrophobicContact CE2-CB 4.03Å; F317-P329 HydrophobicContact CZ-CB 3.74Å; F317-P329 HydrophobicContact CZ-CG 4.43Å; F322-P329 HydrophobicContact CD2-CB 4.23Å |
| 330 | L | 92.3 | Very high | 88.7 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 144.1 | -179.3 | -69.9 | 170.7 | 0 | 0 | 0 | 110.1 | A311 D312 M323 L325 H334 F335 | A311-L330 HydrophobicContact CB-CD2 4.05Å; D312-L330 HydrophobicContact CB-CD2 4.27Å; M323-L330 PolarHBondContact N-O 2.93Å; M323-L330 PolarHBondContact O-N 3Å; L325-L330 HydrophobicContact CB-CD1 3.7Å; L325-L330 HydrophobicContact CD2-CD1 4.04Å; L330-H334 HydrophobicContact CD2-CB 4.23Å; L330-F335 HydrophobicContact CB-CB 4.11Å; L330-F335 HydrophobicContact CD1-CB 4.47Å; L330-F335 HydrophobicContact CD1-CD2 4.33Å |
| 331 | C | 92.2 | Very high | 89.3 | Confident | 30 Ų | 30 | 63 Ų | 63 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | trans | -74.3 | 156.4 | 170.9 | 77 | 0 | 0 | 0 | 0 | 109.6 | C310 F317 I333 H334 F335 | C310-C331 HydrophobicContact CB-CB 4.02Å; C310-C331 PolarHBondContact SG-N 3.26Å; F317-C331 HydrophobicContact CD1-CB 4.4Å; F317-C331 HydrophobicContact CE1-CB 4.18Å; C331-I333 PolarHBondContact O-N 2.77Å; C331-H334 PolarHBondContact O-N 3.17Å; C331-H334 PolarHBondContact SG-ND1 2.88Å; C331-F335 PolarHBondContact O-N 3.25Å | ||
| 332 | T | 89.8 | Confident | 89.8 | Confident | 58 Ų | 58 | 61 Ų | 61 | 36% | 0.356 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -49.5 | -40.5 | -175.3 | -41.8 | 0 | 0 | 0 | 0 | 112.7 | H336 P349 | T332-H336 WeakPolarHBondContact O-CB 3.35Å; T332-H336 PolarHBondContact O-CD2 2.98Å; T332-H336 PolarHBondContact O-N 3.49Å; T332-H336 VanDerWaalsContact O-N 3.11Å; T332-P349 HydrophobicContact CG2-CG 4.09Å |
| 333 | I | 89.8 | Confident | 89.8 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 45% | 0.446 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.7 | -48.7 | 178.4 | -55.1 | -56.9 | 0 | 0 | 0 | 111.9 | C331 H336 S337 L342 P349 | C331-I333 PolarHBondContact O-N 2.77Å; I333-H336 PolarHBondContact O-N 3.11Å; I333-S337 VanDerWaalsContact O-CB 3.28Å; I333-S337 WeakPolarHBondContact O-CB 3.29Å; I333-S337 PolarHBondContact O-N 2.99Å; I333-L342 HydrophobicContact CG2-CD1 4.45Å; I333-P349 HydrophobicContact CD1-CG 3.99Å |
| 334 | H | 92.1 | Very high | 89.6 | Confident | 53 Ų | 53 | 54.9 Ų | 54.9 | 25% | 0.245 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.4 | -37.4 | -178 | -71.8 | 115.9 | 0 | 0 | 0 | 112.8 | C310 D312 C313 L330 C331 S337 R338 | C310-H334 PolarHBondContact SG-ND1 2.97Å; D312-H334 HydrophobicContact CB-CB 3.98Å; D312-H334 WeakPolarHBondContact OD2-CB 3.38Å; D312-H334 IonicContact OD2-CD2 3.9Å; D312-H334 IonicContact OD2-CG 3.79Å; C313-H334 VanDerWaalsContact CB-CE1 3.49Å; C313-H334 WeakPolarHBondContact CB-CE1 3.48Å; C313-H334 VanDerWaalsContact SG-CE1 3.59Å; L330-H334 HydrophobicContact CD2-CB 4.23Å; C331-H334 PolarHBondContact O-N 3.17Å; C331-H334 PolarHBondContact SG-ND1 2.88Å; H334-S337 WeakPolarHBondContact O-CB 3.44Å; H334-S337 PolarHBondContact O-N 3.06Å; H334-R338 WeakPolarHBondContact O-CG 3.46Å; H334-R338 PolarHBondContact O-N 3.18Å |
| 335 | F | 91.9 | Very high | 89.4 | Confident | 21 Ų | 21 | 53.7 Ų | 53.7 | 9% | 0.092 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 173.2 | -179.2 | -106.4 | 0 | 0 | 0 | 112 | M323 E324 L325 L330 C331 S337 R338 Q339 | M323-F335 HydrophobicContact CB-CB 3.77Å; M323-F335 HydrophobicContact CB-CD1 3.68Å; M323-F335 HydrophobicContact CB-CD2 3.52Å; M323-F335 HydrophobicContact CB-CE1 4.04Å; M323-F335 HydrophobicContact CB-CE2 3.91Å; M323-F335 HydrophobicContact CB-CG 3.38Å; M323-F335 HydrophobicContact CB-CZ 4.14Å; M323-F335 HydrophobicContact CE-CD1 3.87Å; M323-F335 HydrophobicContact CE-CE1 3.3Å; M323-F335 HydrophobicContact CE-CZ 3.75Å; M323-F335 HydrophobicContact CG-CB 4.11Å; M323-F335 HydrophobicContact CG-CD1 3.65Å; M323-F335 HydrophobicContact CG-CD2 4.42Å; M323-F335 HydrophobicContact CG-CE1 4.07Å; M323-F335 HydrophobicContact CG-CG 3.83Å; E324-F335 WeakPolarHBondContact O-CE2 3.49Å; L325-F335 HydrophobicContact CB-CD2 4.2Å; L325-F335 HydrophobicContact CB-CE2 4.22Å; L325-F335 HydrophobicContact CD1-CE2 4.27Å; L330-F335 HydrophobicContact CB-CB 4.11Å; L330-F335 HydrophobicContact CD1-CB 4.47Å; L330-F335 HydrophobicContact CD1-CD2 4.33Å; C331-F335 PolarHBondContact O-N 3.25Å; F335-S337 VanDerWaalsContact C-N 3.32Å; F335-S337 PolarHBondContact O-N 2.86Å; F335-R338 PolarHBondContact O-N 3.48Å; F335-Q339 PolarHBondContact O-N 2.85Å; F335-Q339 VanDerWaalsContact O-N 3.14Å |
| 336 | H | 90.2 | Very high | 89.4 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.4 | -26.1 | 176.9 | -78.3 | -82.6 | 0 | 0 | 0 | 113.2 | T332 I333 G340 T341 L342 P349 | T332-H336 WeakPolarHBondContact O-CB 3.35Å; T332-H336 PolarHBondContact O-CD2 2.98Å; T332-H336 PolarHBondContact O-N 3.49Å; T332-H336 VanDerWaalsContact O-N 3.11Å; I333-H336 PolarHBondContact O-N 3.11Å; H336-G340 PolarHBondContact O-N 3.44Å; H336-T341 WeakPolarHBondContact CA-OG1 3.4Å; H336-T341 WeakPolarHBondContact CB-OG1 3.44Å; H336-T341 PolarHBondContact ND1-OG1 3.16Å; H336-T341 PolarHBondContact O-N 2.23Å; H336-T341 PolarHBondContact O-OG1 3.06Å; H336-L342 HydrophobicContact CB-CD2 3.59Å; H336-L342 HydrophobicContact CB-CG 4.18Å; H336-P349 HydrophobicContact CB-CB 4.11Å; H336-P349 HydrophobicContact CB-CG 4.14Å |
| 337 | S | 89.8 | Confident | 89.5 | Confident | 64 Ų | 64 | 48.8 Ų | 48.8 | 45% | 0.448 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.6 | -54.1 | 171.6 | -166.7 | 0 | 0 | 0 | 0 | 111 | I333 H334 F335 Q339 G340 | I333-S337 VanDerWaalsContact O-CB 3.28Å; I333-S337 WeakPolarHBondContact O-CB 3.29Å; I333-S337 PolarHBondContact O-N 2.99Å; H334-S337 WeakPolarHBondContact O-CB 3.44Å; H334-S337 PolarHBondContact O-N 3.06Å; F335-S337 VanDerWaalsContact C-N 3.32Å; F335-S337 PolarHBondContact O-N 2.86Å; S337-Q339 VanDerWaalsContact C-N 3.26Å; S337-Q339 PolarHBondContact O-N 2.82Å; S337-G340 PolarHBondContact O-N 3.24Å |
| 338 | R | 89.2 | Confident | 89.7 | Confident | 131 Ų | 131 | 53.9 Ų | 53.9 | 49% | 0.494 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.8 | -35.4 | 177.7 | -74.9 | 171.5 | 169.3 | -107.2 | 0.7 | 112.8 | D312 L325 H334 F335 G340 | D312-R338 IonicContact OD1-CZ 3.62Å; D312-R338 IonicContact OD1-NE 2.79Å; D312-R338 PolarHBondContact OD1-NE 3.22Å; D312-R338 IonicContact OD1-NH2 3.59Å; D312-R338 PolarHBondContact OD1-NH2 3.2Å; D312-R338 IonicContact OD2-CZ 2.67Å; D312-R338 IonicContact OD2-NE 3.42Å; D312-R338 PolarHBondContact OD2-NE 2.96Å; D312-R338 IonicContact OD2-NH2 3.15Å; L325-R338 HydrophobicContact CD2-CB 4.26Å; H334-R338 WeakPolarHBondContact O-CG 3.46Å; H334-R338 PolarHBondContact O-N 3.18Å; F335-R338 PolarHBondContact O-N 3.48Å; R338-G340 VanDerWaalsContact C-N 3.34Å |
| 339 | Q | 87.3 | Confident | 89.8 | Confident | 97 Ų | 97 | 47.8 Ų | 47.8 | 45% | 0.453 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 0.1 | 175.4 | -73 | -163.9 | 81.5 | 0 | 0 | 115.3 | F335 S337 T341 | F335-Q339 PolarHBondContact O-N 2.85Å; F335-Q339 VanDerWaalsContact O-N 3.14Å; S337-Q339 VanDerWaalsContact C-N 3.26Å; S337-Q339 PolarHBondContact O-N 2.82Å; Q339-T341 VanDerWaalsContact C-N 3.29Å; Q339-T341 HydrophobicContact CB-CG2 4.37Å; Q339-T341 PolarHBondContact O-N 2.98Å |
| 340 | G | 86.6 | Confident | 89.6 | Confident | 43 Ų | 43 | 48.3 Ų | 48.3 | 44% | 0.443 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 37.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H336 S337 R338 K361 | H336-G340 PolarHBondContact O-N 3.44Å; S337-G340 PolarHBondContact O-N 3.24Å; R338-G340 VanDerWaalsContact C-N 3.34Å; G340-K361 VanDerWaalsContact O-CD 3.29Å; G340-K361 WeakPolarHBondContact O-CD 3.31Å; G340-K361 WeakPolarHBondContact O-CE 3.49Å |
| 341 | T | 89.9 | Confident | 89.2 | Confident | 26 Ų | 26 | 54.1 Ų | 54.1 | 16% | 0.16 | 32% | 0.32 | C | S | . | . | trans | -117.4 | 11.1 | -177.9 | 49.4 | 0 | 0 | 0 | 0 | 113.7 | H336 Q339 I350 K361 | H336-T341 WeakPolarHBondContact CA-OG1 3.4Å; H336-T341 WeakPolarHBondContact CB-OG1 3.44Å; H336-T341 PolarHBondContact ND1-OG1 3.16Å; H336-T341 PolarHBondContact O-N 2.23Å; H336-T341 PolarHBondContact O-OG1 3.06Å; Q339-T341 VanDerWaalsContact C-N 3.29Å; Q339-T341 HydrophobicContact CB-CG2 4.37Å; Q339-T341 PolarHBondContact O-N 2.98Å; T341-I350 WeakPolarHBondContact O-CG1 3.15Å; T341-I350 PolarHBondContact O-N 3Å; T341-K361 HydrophobicContact CG2-CD 4.35Å | ||
| 342 | L | 91.8 | Very high | 88.8 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -75 | 140.6 | 165.7 | -61.7 | -179.1 | 0 | 0 | 0 | 110.9 | I333 H336 G344 P349 | I333-L342 HydrophobicContact CG2-CD1 4.45Å; H336-L342 HydrophobicContact CB-CD2 3.59Å; H336-L342 HydrophobicContact CB-CG 4.18Å; L342-G344 PolarHBondContact O-N 3.4Å; L342-P349 HydrophobicContact CD2-CB 4.49Å; L342-P349 HydrophobicContact CD2-CG 3.95Å |
| 343 | C | 91.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -69.5 | 124.2 | 175.3 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | G345 C346 G347 K348 I350 K361 H363 | C343-G345 PolarHBondContact O-N 3.29Å; C343-G345 VanDerWaalsContact O-N 3.15Å; C343-G345 PolarHBondContact SG-N 2.96Å; C343-C346 VanDerWaalsContact SG-SG 3.65Å; C343-G347 VanDerWaalsContact O-CA 3.32Å; C343-G347 WeakPolarHBondContact O-CA 3.38Å; C343-G347 PolarHBondContact O-N 3.02Å; C343-K348 WeakPolarHBondContact CB-O 3.06Å; C343-K348 PolarHBondContact N-O 2.92Å; C343-I350 HydrophobicContact CB-CD1 4.12Å; C343-I350 HydrophobicContact CB-CG1 3.84Å; C343-K361 CarbonylContact C-O 3.52Å; C343-K361 VanDerWaalsContact CA-O 3.31Å; C343-K361 WeakPolarHBondContact CA-O 3.48Å; C343-H363 WeakPolarHBondContact CB-CE1 3.2Å; C343-H363 WeakPolarHBondContact CB-ND1 3.32Å; C343-H363 PolarHBondContact SG-N 3.42Å; C343-H363 VanDerWaalsContact SG-N 3.42Å; C343-H363 PolarHBondContact SG-ND1 2.97Å |
| 344 | G | 86.3 | Confident | 88.5 | Confident | 16 Ų | 16 | 62.4 Ų | 62.4 | 17% | 0.165 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -19.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | L342 R360 K361 | L342-G344 PolarHBondContact O-N 3.4Å; G344-R360 PolarHBondContact O-NH2 3.46Å; G344-K361 PolarHBondContact N-O 3.25Å |
| 345 | G | 86.4 | Confident | 88.3 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 54% | 0.536 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -51.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | C343 | C343-G345 PolarHBondContact O-N 3.29Å; C343-G345 VanDerWaalsContact O-N 3.15Å; C343-G345 PolarHBondContact SG-N 2.96Å |
| 346 | C | 89.8 | Confident | 88.2 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 28% | 0.284 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -3.2 | -172.4 | 72.1 | 0 | 0 | 0 | 0 | 115.2 | C343 K348 H363 H366 | C343-C346 VanDerWaalsContact SG-SG 3.65Å; C346-K348 PolarHBondContact O-N 3.27Å; C346-K348 VanDerWaalsContact O-N 3.1Å; C346-H363 PolarHBondContact SG-CE1 2.85Å; C346-H363 PolarHBondContact SG-ND1 3.39Å; C346-H363 VanDerWaalsContact SG-ND1 3.41Å; C346-H366 VanDerWaalsContact SG-CE1 3.59Å |
| 347 | G | 86.7 | Confident | 88 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 44% | 0.443 | 37% | 0.372 | S | S | . | . | trans | 70.2 | -1.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | C343 | C343-G347 VanDerWaalsContact O-CA 3.32Å; C343-G347 WeakPolarHBondContact O-CA 3.38Å; C343-G347 PolarHBondContact O-N 3.02Å | ||
| 348 | K | 89.4 | Confident | 87.7 | Confident | 140 Ų | 140 | 60.6 Ų | 60.6 | 61% | 0.609 | 36% | 0.36 | S | S | * | . | trans | -84.9 | 150.7 | -179.3 | -60.1 | -179 | -177.9 | 179.7 | 0 | 111.7 | C343 C346 H363 | C343-K348 WeakPolarHBondContact CB-O 3.06Å; C343-K348 PolarHBondContact N-O 2.92Å; C346-K348 PolarHBondContact O-N 3.27Å; C346-K348 VanDerWaalsContact O-N 3.1Å; K348-H363 WeakPolarHBondContact CB-CE1 3.2Å; K348-H363 PolarHBondContact O-CE1 3.41Å | ||
| 349 | P | 90.4 | Very high | 87.5 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 15% | 0.149 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -50.4 | 138.4 | 168.4 | -29.7 | 37.2 | 0 | 0 | 0 | 113.1 | T332 I333 H336 L342 H363 | T332-P349 HydrophobicContact CG2-CG 4.09Å; I333-P349 HydrophobicContact CD1-CG 3.99Å; H336-P349 HydrophobicContact CB-CB 4.11Å; H336-P349 HydrophobicContact CB-CG 4.14Å; L342-P349 HydrophobicContact CD2-CB 4.49Å; L342-P349 HydrophobicContact CD2-CG 3.95Å; P349-H363 PolarHBondContact O-CE1 3.47Å; P349-H363 PolarHBondContact O-NE2 3.25Å |
| 350 | I | 89.5 | Confident | 87.5 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 7% | 0.072 | 39% | 0.387 | C | S | . | . | trans | -93.8 | 110.7 | 172.9 | -54.6 | 162 | 0 | 0 | 0 | 109.5 | T341 C343 C354 K361 H363 | T341-I350 WeakPolarHBondContact O-CG1 3.15Å; T341-I350 PolarHBondContact O-N 3Å; C343-I350 HydrophobicContact CB-CD1 4.12Å; C343-I350 HydrophobicContact CB-CG1 3.84Å; I350-C354 HydrophobicContact CD1-CB 4.02Å; I350-C354 HydrophobicContact CG2-CB 3.72Å; I350-K361 HydrophobicContact CD1-CB 3.54Å; I350-H363 WeakPolarHBondContact CA-NE2 3.43Å; I350-H363 PolarHBondContact N-NE2 3Å | ||
| 351 | T | 82.6 | Confident | 87.6 | Confident | 123 Ų | 123 | 66.5 Ų | 66.5 | 76% | 0.755 | 38% | 0.38 | S | S | * | . | trans | -95.7 | 108.9 | 172.2 | 45.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 352 | G | 83.9 | Confident | 87.6 | Confident | 68 Ų | 68 | 66.2 Ų | 66.2 | 70% | 0.701 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 93.5 | -134.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | C354 | G352-C354 PolarHBondContact O-N 3.05Š|
| 353 | R | 84.8 | Confident | 87.5 | Confident | 225 Ų | 225 | 65.7 Ų | 65.7 | 85% | 0.849 | 37% | 0.373 | S | S | * | . | trans | -64.4 | 126.9 | -172.9 | -73.6 | -172.2 | -77.4 | -176.9 | -5 | 111.3 | P364 | R353-P364 WeakPolarHBondContact O-CD 3.32Š| ||
| 354 | C | 88.9 | Confident | 87.4 | Confident | 56 Ų | 56 | 68 Ų | 68 | 38% | 0.378 | 39% | 0.388 | S | S | . | . | trans | -122.9 | 156.6 | 175.6 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | I350 G352 F362 | I350-C354 HydrophobicContact CD1-CB 4.02Å; I350-C354 HydrophobicContact CG2-CB 3.72Å; G352-C354 PolarHBondContact O-N 3.05Å; C354-F362 WeakPolarHBondContact CA-O 3.48Å | ||
| 355 | V | 88.3 | Confident | 87.5 | Confident | 18 Ų | 18 | 73.3 Ų | 73.3 | 11% | 0.109 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.6 | 165.7 | -179.6 | 0 | 0 | 0 | 0 | 107.3 | K361 F362 P364 F367 | V355-K361 CarbonylContact O-C 3.54Å; V355-K361 WeakPolarHBondContact O-CA 3.48Å; V355-F362 PolarHBondContact N-O 2.92Å; V355-F362 PolarHBondContact O-N 3.42Å; V355-P364 HydrophobicContact CG2-CB 4.35Å; V355-P364 HydrophobicContact CG2-CG 4.43Å; V355-F367 HydrophobicContact CB-CB 4.24Å; V355-F367 HydrophobicContact CB-CD1 4.48Å; V355-F367 HydrophobicContact CB-CG 4.36Å; V355-F367 HydrophobicContact CG1-CB 4.26Å; V355-F367 HydrophobicContact CG1-CD1 3.64Å; V355-F367 HydrophobicContact CG1-CD2 4.44Å; V355-F367 HydrophobicContact CG1-CE1 4.07Å; V355-F367 HydrophobicContact CG1-CG 3.86Å; V355-F367 HydrophobicContact CG2-CB 4.45Å |
| 356 | S | 89.1 | Confident | 87.7 | Confident | 62 Ų | 62 | 74 Ų | 74 | 43% | 0.434 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 118.8 | 174.6 | -60.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 357 | A | 85.4 | Confident | 87.8 | Confident | 13 Ų | 13 | 72 Ų | 72 | 11% | 0.107 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 153.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | D359 R360 F362 F367 F381 | A357-D359 PolarHBondContact O-N 3.43Å; A357-R360 PolarHBondContact N-O 2.81Å; A357-R360 CarbonylContact O-C 3.58Å; A357-R360 PolarHBondContact O-N 3.42Å; A357-F362 WeakPolarHBondContact O-CE2 3.44Å; A357-F367 HydrophobicContact CB-CD2 4.36Å; A357-F367 HydrophobicContact CB-CE1 4.46Å; A357-F367 HydrophobicContact CB-CE2 3.55Å; A357-F367 HydrophobicContact CB-CZ 3.62Å; A357-F381 HydrophobicContact CB-CE1 4.25Å; A357-F381 HydrophobicContact CB-CZ 3.83Å |
| 358 | L | 84.6 | Confident | 88 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 20% | 0.199 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 38.9 | 176.2 | -43.8 | 175.6 | 0 | 0 | 0 | 112.6 | R360 F367 F381 E383 P388 | L358-R360 WeakPolarHBondContact O-CG 3.35Å; L358-R360 PolarHBondContact O-N 2.89Å; L358-F367 HydrophobicContact CD1-CE2 4.49Å; L358-F381 HydrophobicContact CD2-CE2 4.05Å; L358-E383 HydrophobicContact CD2-CB 3.97Å; L358-E383 HydrophobicContact CD2-CG 3.57Å; L358-E383 WeakPolarHBondContact CD2-OE2 3.42Å; L358-P388 HydrophobicContact CD1-CB 4.16Å; L358-P388 HydrophobicContact CD1-CG 4.06Å |
| 359 | D | 84.8 | Confident | 88 | Confident | 178 Ų | 178 | 65.2 Ų | 65.2 | 95% | 0.952 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 21.1 | -173.2 | -57.4 | -39.9 | 0 | 0 | 0 | 115.6 | A357 | A357-D359 PolarHBondContact O-N 3.43Š|
| 360 | R | 87.4 | Confident | 88 | Confident | 145 Ų | 145 | 66.3 Ų | 66.3 | 55% | 0.547 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 159 | -179.4 | -63 | 176.7 | 82.5 | -169.5 | 2.9 | 110.5 | G344 A357 L358 F362 | G344-R360 PolarHBondContact O-NH2 3.46Å; A357-R360 PolarHBondContact N-O 2.81Å; A357-R360 CarbonylContact O-C 3.58Å; A357-R360 PolarHBondContact O-N 3.42Å; L358-R360 WeakPolarHBondContact O-CG 3.35Å; L358-R360 PolarHBondContact O-N 2.89Å; R360-F362 HydrophobicContact CB-CE2 3.74Å; R360-F362 HydrophobicContact CB-CZ 4.06Å |
| 361 | K | 89.1 | Confident | 88 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 145.4 | 172.2 | -59 | -173.1 | -171.3 | 163.5 | 0 | 109.3 | G340 T341 C343 G344 I350 V355 | G340-K361 VanDerWaalsContact O-CD 3.29Å; G340-K361 WeakPolarHBondContact O-CD 3.31Å; G340-K361 WeakPolarHBondContact O-CE 3.49Å; T341-K361 HydrophobicContact CG2-CD 4.35Å; C343-K361 CarbonylContact C-O 3.52Å; C343-K361 VanDerWaalsContact CA-O 3.31Å; C343-K361 WeakPolarHBondContact CA-O 3.48Å; G344-K361 PolarHBondContact N-O 3.25Å; I350-K361 HydrophobicContact CD1-CB 3.54Å; V355-K361 CarbonylContact O-C 3.54Å; V355-K361 WeakPolarHBondContact O-CA 3.48Å |
| 362 | F | 89.3 | Confident | 88.5 | Confident | 19 Ų | 19 | 68.2 Ų | 68.2 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 149 | 178.1 | -62.9 | -95 | 0 | 0 | 0 | 109.6 | C354 V355 A357 R360 F367 | C354-F362 WeakPolarHBondContact CA-O 3.48Å; V355-F362 PolarHBondContact N-O 2.92Å; V355-F362 PolarHBondContact O-N 3.42Å; A357-F362 WeakPolarHBondContact O-CE2 3.44Å; R360-F362 HydrophobicContact CB-CE2 3.74Å; R360-F362 HydrophobicContact CB-CZ 4.06Å; F362-F367 HydrophobicContact CB-CB 4.01Å; F362-F367 AromaticContact CD2-CD2 3.93Å; F362-F367 HydrophobicContact CD2-CD2 3.93Å; F362-F367 HydrophobicContact CE2-CD2 4.3Å; F362-F367 HydrophobicContact CG-CB 4.44Å; F362-F367 HydrophobicContact CG-CD2 4.12Å |
| 363 | H | 90.4 | Very high | 88.7 | Confident | 30 Ų | 30 | 71 Ų | 71 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | trans | -62.4 | 148 | 158.5 | -55.4 | 99.3 | 0 | 0 | 0 | 108.5 | C343 C346 K348 P349 I350 E365 H366 F367 | C343-H363 WeakPolarHBondContact CB-CE1 3.2Å; C343-H363 WeakPolarHBondContact CB-ND1 3.32Å; C343-H363 PolarHBondContact SG-N 3.42Å; C343-H363 VanDerWaalsContact SG-N 3.42Å; C343-H363 PolarHBondContact SG-ND1 2.97Å; C346-H363 PolarHBondContact SG-CE1 2.85Å; C346-H363 PolarHBondContact SG-ND1 3.39Å; C346-H363 VanDerWaalsContact SG-ND1 3.41Å; K348-H363 WeakPolarHBondContact CB-CE1 3.2Å; K348-H363 PolarHBondContact O-CE1 3.41Å; P349-H363 PolarHBondContact O-CE1 3.47Å; P349-H363 PolarHBondContact O-NE2 3.25Å; I350-H363 WeakPolarHBondContact CA-NE2 3.43Å; I350-H363 PolarHBondContact N-NE2 3Å; H363-E365 HydrophobicContact CB-CG 3.83Å; H363-E365 PolarHBondContact O-N 3.15Å; H363-H366 HydrophobicContact CB-CB 4.3Å; H363-H366 AromaticContact CG-ND1 3.65Å; H363-H366 AromaticContact ND1-CE1 3.89Å; H363-H366 AromaticContact ND1-ND1 3.16Å; H363-H366 PolarHBondContact ND1-ND1 3.1Å; H363-H366 VanDerWaalsContact ND1-ND1 3.16Å; H363-H366 PolarHBondContact O-N 2.88Å; H363-F367 PolarHBondContact O-N 3.46Å | ||
| 364 | P | 88.5 | Confident | 88.9 | Confident | 50 Ų | 50 | 68.9 Ų | 68.9 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -53.4 | -40.8 | 178.5 | -27.5 | 35.3 | 0 | 0 | 0 | 112.8 | R353 V355 H366 F367 Q375 | R353-P364 WeakPolarHBondContact O-CD 3.32Å; V355-P364 HydrophobicContact CG2-CB 4.35Å; V355-P364 HydrophobicContact CG2-CG 4.43Å; P364-H366 VanDerWaalsContact C-N 3.28Å; P364-H366 PolarHBondContact O-N 2.85Å; P364-F367 PolarHBondContact O-N 2.84Å; P364-Q375 WeakPolarHBondContact O-CG 3.27Å; P364-Q375 PolarHBondContact O-NE2 3.23Å |
| 365 | E | 89.1 | Confident | 88.9 | Confident | 128 Ų | 128 | 71.9 Ų | 71.9 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -64.8 | -26.4 | 177 | 62.7 | -175.9 | -179.2 | 0 | 0 | 114.1 | H363 V368 | H363-E365 HydrophobicContact CB-CG 3.83Å; H363-E365 PolarHBondContact O-N 3.15Å; E365-V368 WeakPolarHBondContact O-CG1 3.42Å |
| 366 | H | 89.6 | Confident | 88.8 | Confident | 66 Ų | 66 | 71.5 Ų | 71.5 | 31% | 0.306 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -94.1 | -8.1 | -176.8 | -71.2 | 112.4 | 0 | 0 | 0 | 112.8 | C346 H363 P364 V368 | C346-H366 VanDerWaalsContact SG-CE1 3.59Å; H363-H366 HydrophobicContact CB-CB 4.3Å; H363-H366 AromaticContact CG-ND1 3.65Å; H363-H366 AromaticContact ND1-CE1 3.89Å; H363-H366 AromaticContact ND1-ND1 3.16Å; H363-H366 PolarHBondContact ND1-ND1 3.1Å; H363-H366 VanDerWaalsContact ND1-ND1 3.16Å; H363-H366 PolarHBondContact O-N 2.88Å; P364-H366 VanDerWaalsContact C-N 3.28Å; P364-H366 PolarHBondContact O-N 2.85Å; H366-V368 PolarHBondContact O-N 2.92Å |
| 367 | F | 91.4 | Very high | 88 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | trans | -90.8 | 84.1 | 172.8 | -167.3 | -113.8 | 0 | 0 | 0 | 110.3 | V355 A357 L358 F362 H363 P364 L376 F381 P388 | V355-F367 HydrophobicContact CB-CB 4.24Å; V355-F367 HydrophobicContact CB-CD1 4.48Å; V355-F367 HydrophobicContact CB-CG 4.36Å; V355-F367 HydrophobicContact CG1-CB 4.26Å; V355-F367 HydrophobicContact CG1-CD1 3.64Å; V355-F367 HydrophobicContact CG1-CD2 4.44Å; V355-F367 HydrophobicContact CG1-CE1 4.07Å; V355-F367 HydrophobicContact CG1-CG 3.86Å; V355-F367 HydrophobicContact CG2-CB 4.45Å; A357-F367 HydrophobicContact CB-CD2 4.36Å; A357-F367 HydrophobicContact CB-CE1 4.46Å; A357-F367 HydrophobicContact CB-CE2 3.55Å; A357-F367 HydrophobicContact CB-CZ 3.62Å; L358-F367 HydrophobicContact CD1-CE2 4.49Å; F362-F367 HydrophobicContact CB-CB 4.01Å; F362-F367 AromaticContact CD2-CD2 3.93Å; F362-F367 HydrophobicContact CD2-CD2 3.93Å; F362-F367 HydrophobicContact CE2-CD2 4.3Å; F362-F367 HydrophobicContact CG-CB 4.44Å; F362-F367 HydrophobicContact CG-CD2 4.12Å; H363-F367 PolarHBondContact O-N 3.46Å; P364-F367 PolarHBondContact O-N 2.84Å; F367-L376 HydrophobicContact CD1-CB 3.56Å; F367-L376 WeakPolarHBondContact CD1-O 3.2Å; F367-L376 HydrophobicContact CE1-CB 3.55Å; F367-L376 HydrophobicContact CE1-CD1 4.12Å; F367-L376 HydrophobicContact CE1-CG 4.49Å; F367-L376 HydrophobicContact CZ-CD1 4.34Å; F367-L376 PolarHBondContact O-N 3.4Å; F367-F381 AromaticContact CE1-CD1 3.8Å; F367-F381 HydrophobicContact CE1-CD1 3.8Å; F367-F381 HydrophobicContact CE1-CE1 4.02Å; F367-F381 HydrophobicContact CE1-CG 4.23Å; F367-F381 AromaticContact CZ-CD1 3.73Å; F367-F381 HydrophobicContact CZ-CD1 3.73Å; F367-F381 HydrophobicContact CZ-CD2 4.06Å; F367-F381 AromaticContact CZ-CE1 3.69Å; F367-F381 HydrophobicContact CZ-CE1 3.69Å; F367-F381 HydrophobicContact CZ-CE2 4.03Å; F367-F381 AromaticContact CZ-CG 3.92Å; F367-F381 HydrophobicContact CZ-CG 3.92Å; F367-F381 AromaticContact CZ-CZ 3.85Å; F367-F381 HydrophobicContact CZ-CZ 3.85Å; F367-P388 HydrophobicContact CD2-CG 4.34Å; F367-P388 HydrophobicContact CE2-CB 3.83Å; F367-P388 HydrophobicContact CE2-CG 3.83Å; F367-P388 HydrophobicContact CZ-CB 3.88Å; F367-P388 HydrophobicContact CZ-CG 4.35Å | ||
| 368 | V | 90.9 | Very high | 87 | Confident | 41 Ų | 41 | 78.6 Ų | 78.6 | 25% | 0.248 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -120.6 | 153.6 | -174.1 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | E365 H366 A370 L373 R374 | E365-V368 WeakPolarHBondContact O-CG1 3.42Å; H366-V368 PolarHBondContact O-N 2.92Å; V368-A370 PolarHBondContact O-N 3.19Å; V368-L373 HydrophobicContact CG2-CD2 4.41Å; V368-R374 WeakPolarHBondContact CA-O 3.43Å |
| 369 | C | 90.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 41% | 0.412 | C | S | . | . | trans | -62.9 | 124.9 | 173.3 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | F371 L373 R374 L376 P388 C390 | C369-F371 PolarHBondContact O-N 3.29Å; C369-L373 VanDerWaalsContact O-CA 3.26Å; C369-L373 WeakPolarHBondContact O-CA 3.45Å; C369-L373 PolarHBondContact O-N 2.97Å; C369-R374 PolarHBondContact N-O 3.16Å; C369-L376 HydrophobicContact CB-CD1 4.3Å; C369-L376 HydrophobicContact CB-CD2 4.19Å; C369-L376 HydrophobicContact CB-CG 4.32Å; C369-P388 WeakPolarHBondContact CA-O 3.48Å; C369-C390 HydrophobicContact CB-CB 4.37Å; C369-C390 PolarHBondContact SG-N 3.29Å; C369-C390 VanDerWaalsContact SG-N 3.37Å | ||
| 370 | A | 89.5 | Confident | 85.7 | Confident | 46 Ų | 46 | 76.7 Ų | 76.7 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | V368 K387 P388 Y389 | V368-A370 PolarHBondContact O-N 3.19Å; A370-K387 HydrophobicContact CB-CB 4.04Å; A370-K387 HydrophobicContact CB-CD 4.36Å; A370-P388 PolarHBondContact N-O 2.88Å; A370-Y389 HydrophobicContact CB-CD1 4.48Å; A370-Y389 HydrophobicContact CB-CE1 4.01Å; A370-Y389 HydrophobicContact CB-CE2 4.44Å |
| 371 | F | 90.5 | Very high | 85.7 | Confident | 131 Ų | 131 | 72.7 Ų | 72.7 | 58% | 0.575 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -56 | 175.5 | -176.4 | -95.9 | 0 | 0 | 0 | 113.1 | C369 Y389 C393 L397 | C369-F371 PolarHBondContact O-N 3.29Å; F371-Y389 HydrophobicContact CB-CD1 4.23Å; F371-Y389 HydrophobicContact CB-CE1 4.24Å; F371-C393 HydrophobicContact CB-CB 4.22Å; F371-C393 HydrophobicContact CD1-CB 4.26Å; F371-L397 HydrophobicContact CB-CD1 3.93Å; F371-L397 HydrophobicContact CD2-CD1 3.72Å; F371-L397 HydrophobicContact CD2-CD2 4.2Å; F371-L397 HydrophobicContact CE2-CD1 4.37Å; F371-L397 HydrophobicContact CE2-CD2 4.06Å; F371-L397 HydrophobicContact CG-CD1 3.83Å |
| 372 | C | 91.6 | Very high | 85.6 | Confident | 46 Ų | 46 | 72.7 Ų | 72.7 | 31% | 0.311 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 2.8 | -173.5 | 67.4 | 0 | 0 | 0 | 0 | 114.9 | R374 C393 | C372-R374 PolarHBondContact O-N 3Å; C372-C393 VanDerWaalsContact SG-SG 3.61Å |
| 373 | L | 88.9 | Confident | 85.6 | Confident | 127 Ų | 127 | 76.6 Ų | 76.6 | 67% | 0.665 | 40% | 0.398 | S | S | * | . | trans | 54.4 | 11.1 | -179.6 | -54.1 | 179.7 | 0 | 0 | 0 | 115.4 | V368 C369 | V368-L373 HydrophobicContact CG2-CD2 4.41Å; C369-L373 VanDerWaalsContact O-CA 3.26Å; C369-L373 WeakPolarHBondContact O-CA 3.45Å; C369-L373 PolarHBondContact O-N 2.97Å | ||
| 374 | R | 88.9 | Confident | 85.5 | Confident | 180 Ų | 180 | 78.3 Ų | 78.3 | 68% | 0.679 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 134.1 | 177.1 | -163 | 174.1 | -62 | 160 | 2.9 | 109.7 | V368 C369 C372 L376 | V368-R374 WeakPolarHBondContact CA-O 3.43Å; C369-R374 PolarHBondContact N-O 3.16Å; C372-R374 PolarHBondContact O-N 3Å; R374-L376 PolarHBondContact O-N 3.3Å |
| 375 | Q | 88.6 | Confident | 85.4 | Confident | 118 Ų | 118 | 82.8 Ų | 82.8 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | B | Isolated β-bridge | trans | -53.8 | 133.9 | 174.5 | -168.9 | 174.3 | 37.5 | 0 | 0 | 111 | P364 | P364-Q375 WeakPolarHBondContact O-CG 3.27Å; P364-Q375 PolarHBondContact O-NE2 3.23Å |
| 376 | L | 85.8 | Confident | 85.1 | Confident | 10 Ų | 10 | 79 Ų | 79 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -102.1 | 131.8 | 178.7 | -65.1 | 171.5 | 0 | 0 | 0 | 108.9 | F367 C369 R374 F381 P388 C390 | F367-L376 HydrophobicContact CD1-CB 3.56Å; F367-L376 WeakPolarHBondContact CD1-O 3.2Å; F367-L376 HydrophobicContact CE1-CB 3.55Å; F367-L376 HydrophobicContact CE1-CD1 4.12Å; F367-L376 HydrophobicContact CE1-CG 4.49Å; F367-L376 HydrophobicContact CZ-CD1 4.34Å; F367-L376 PolarHBondContact O-N 3.4Å; C369-L376 HydrophobicContact CB-CD1 4.3Å; C369-L376 HydrophobicContact CB-CD2 4.19Å; C369-L376 HydrophobicContact CB-CG 4.32Å; R374-L376 PolarHBondContact O-N 3.3Å; L376-F381 HydrophobicContact CD1-CB 3.87Å; L376-F381 HydrophobicContact CD2-CB 4.26Å; L376-F381 HydrophobicContact CG-CB 4.48Å; L376-P388 HydrophobicContact CD1-CB 3.69Å; L376-P388 HydrophobicContact CD1-CG 4.17Å; L376-C390 HydrophobicContact CD2-CB 3.64Å |
| 377 | S | 72.6 | Confident | 85 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 53% | 0.531 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -89.4 | 157.5 | 172.1 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | G379 I380 | S377-G379 PolarHBondContact O-N 2.83Å; S377-I380 PolarHBondContact O-N 2.85Å |
| 378 | H | 64.6 | Low | 84.9 | Confident | 148 Ų | 148 | 82.2 Ų | 82.2 | 69% | 0.685 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 121 | 179.6 | -153 | -119.6 | 0 | 0 | 0 | 110.3 | ||
| 379 | G | 65.4 | Low | 84.9 | Confident | 69 Ų | 69 | 81.7 Ų | 81.7 | 71% | 0.711 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -5.6 | 175 | 0 | 0 | 0 | 0 | 0 | 117.9 | S377 | S377-G379 PolarHBondContact O-N 2.83Š|
| 380 | I | 76.6 | Confident | 84.9 | Confident | 108 Ų | 108 | 82.7 Ų | 82.7 | 55% | 0.554 | 44% | 0.438 | S | S | * | . | trans | -128.2 | 61 | -179.8 | -40.1 | 179.2 | 0 | 0 | 0 | 112.3 | S377 | S377-I380 PolarHBondContact O-N 2.85Š| ||
| 381 | F | 87.9 | Confident | 84.9 | Confident | 60 Ų | 60 | 83.2 Ų | 83.2 | 26% | 0.263 | 44% | 0.437 | S | S | . | . | trans | -141.3 | 159.3 | 169.7 | 72.9 | -84.3 | 0 | 0 | 0 | 111.1 | A357 L358 F367 L376 P388 Y389 | A357-F381 HydrophobicContact CB-CE1 4.25Å; A357-F381 HydrophobicContact CB-CZ 3.83Å; L358-F381 HydrophobicContact CD2-CE2 4.05Å; F367-F381 AromaticContact CE1-CD1 3.8Å; F367-F381 HydrophobicContact CE1-CD1 3.8Å; F367-F381 HydrophobicContact CE1-CE1 4.02Å; F367-F381 HydrophobicContact CE1-CG 4.23Å; F367-F381 AromaticContact CZ-CD1 3.73Å; F367-F381 HydrophobicContact CZ-CD1 3.73Å; F367-F381 HydrophobicContact CZ-CD2 4.06Å; F367-F381 AromaticContact CZ-CE1 3.69Å; F367-F381 HydrophobicContact CZ-CE1 3.69Å; F367-F381 HydrophobicContact CZ-CE2 4.03Å; F367-F381 AromaticContact CZ-CG 3.92Å; F367-F381 HydrophobicContact CZ-CG 3.92Å; F367-F381 AromaticContact CZ-CZ 3.85Å; F367-F381 HydrophobicContact CZ-CZ 3.85Å; L376-F381 HydrophobicContact CD1-CB 3.87Å; L376-F381 HydrophobicContact CD2-CB 4.26Å; L376-F381 HydrophobicContact CG-CB 4.48Å; F381-P388 HydrophobicContact CD2-CB 3.88Å; F381-P388 HydrophobicContact CE2-CB 4.41Å; F381-P388 HydrophobicContact CG-CB 4.5Å; F381-Y389 CarbonylContact C-O 3.52Å; F381-Y389 WeakPolarHBondContact CA-O 3.42Å; F381-Y389 WeakPolarHBondContact CB-O 3.38Å | ||
| 382 | K | 87.3 | Confident | 84.9 | Confident | 72 Ų | 72 | 80.1 Ų | 80.1 | 31% | 0.313 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 141.8 | 168.2 | -70.7 | -177.2 | 171.4 | -177.2 | 0 | 108.8 | Y389 F394 N395 | K382-Y389 PolarHBondContact N-O 3.32Å; K382-Y389 PolarHBondContact O-N 3.33Å; K382-F394 HydrophobicContact CB-CB 4.04Å; K382-F394 HydrophobicContact CB-CD1 4.39Å; K382-F394 HydrophobicContact CB-CD2 3.33Å; K382-F394 HydrophobicContact CB-CE2 3.81Å; K382-F394 HydrophobicContact CB-CG 3.67Å; K382-F394 HydrophobicContact CD-CB 3.85Å; K382-F394 HydrophobicContact CD-CD1 3.31Å; K382-F394 HydrophobicContact CD-CD2 3.86Å; K382-F394 HydrophobicContact CD-CE1 3.76Å; K382-F394 HydrophobicContact CD-CE2 4.22Å; K382-F394 HydrophobicContact CD-CG 3.38Å; K382-F394 HydrophobicContact CD-CZ 4.19Å; K382-F394 HydrophobicContact CG-CB 4.49Å; K382-F394 HydrophobicContact CG-CD2 4.27Å; K382-F394 HydrophobicContact CG-CG 4.17Å; K382-N395 PolarHBondContact NZ-OD1 2.79Å |
| 383 | E | 88.7 | Confident | 84.8 | Confident | 101 Ų | 101 | 78.6 Ų | 78.6 | 47% | 0.472 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 139.8 | 175.2 | -176 | -174.7 | 164.7 | 0 | 0 | 110.7 | L358 G386 K387 | L358-E383 HydrophobicContact CD2-CB 3.97Å; L358-E383 HydrophobicContact CD2-CG 3.57Å; L358-E383 WeakPolarHBondContact CD2-OE2 3.42Å; E383-G386 VanDerWaalsContact OE1-CA 3.27Å; E383-G386 WeakPolarHBondContact OE1-CA 3.34Å; E383-G386 PolarHBondContact OE1-N 3.26Å; E383-K387 WeakPolarHBondContact CA-O 3.25Å |
| 384 | Q | 87.8 | Confident | 84.9 | Confident | 67 Ų | 67 | 73.7 Ų | 73.7 | 31% | 0.313 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 127.4 | 160.8 | -165 | 67.6 | 39.5 | 0 | 0 | 108.9 | G386 K387 Y389 F394 F398 | Q384-G386 PolarHBondContact O-N 3.11Å; Q384-K387 PolarHBondContact N-O 2.89Å; Q384-K387 WeakPolarHBondContact O-CB 3.33Å; Q384-K387 PolarHBondContact O-N 2.94Å; Q384-Y389 HydrophobicContact CB-CD2 4.1Å; Q384-Y389 HydrophobicContact CB-CE2 3.8Å; Q384-F394 HydrophobicContact CB-CE2 4.03Å; Q384-F398 HydrophobicContact CB-CD2 4.17Å; Q384-F398 HydrophobicContact CB-CE2 3.78Å; Q384-F398 HydrophobicContact CB-CZ 3.97Å; Q384-F398 HydrophobicContact CG-CD1 4.09Å; Q384-F398 HydrophobicContact CG-CD2 4.21Å; Q384-F398 HydrophobicContact CG-CE1 3.89Å; Q384-F398 HydrophobicContact CG-CE2 4.01Å; Q384-F398 HydrophobicContact CG-CG 4.25Å; Q384-F398 HydrophobicContact CG-CZ 3.85Å |
| 385 | N | 86.3 | Confident | 85 | Confident | 144 Ų | 144 | 68.6 Ų | 68.6 | 77% | 0.77 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 47.6 | 178.3 | -58.6 | 4.7 | 0 | 0 | 0 | 113.8 | K387 | N385-K387 PolarHBondContact O-N 3.37Š|
| 386 | G | 83.6 | Confident | 85.1 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 50% | 0.495 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 13 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E383 Q384 | E383-G386 VanDerWaalsContact OE1-CA 3.27Å; E383-G386 WeakPolarHBondContact OE1-CA 3.34Å; E383-G386 PolarHBondContact OE1-N 3.26Å; Q384-G386 PolarHBondContact O-N 3.11Å |
| 387 | K | 87.6 | Confident | 85.2 | Confident | 118 Ų | 118 | 74.4 Ų | 74.4 | 51% | 0.513 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136 | 178.9 | -65.8 | -179.6 | -177.5 | -179.8 | 0 | 111 | A370 E383 Q384 N385 Y389 | A370-K387 HydrophobicContact CB-CB 4.04Å; A370-K387 HydrophobicContact CB-CD 4.36Å; E383-K387 WeakPolarHBondContact CA-O 3.25Å; Q384-K387 PolarHBondContact N-O 2.89Å; Q384-K387 WeakPolarHBondContact O-CB 3.33Å; Q384-K387 PolarHBondContact O-N 2.94Å; N385-K387 PolarHBondContact O-N 3.37Å; K387-Y389 HydrophobicContact CB-CE2 3.73Å; K387-Y389 VanDerWaalsContact O-CD2 3.25Å; K387-Y389 WeakPolarHBondContact O-CD2 3.02Å; K387-Y389 WeakPolarHBondContact O-CE2 3.4Å |
| 388 | P | 90.1 | Very high | 85.9 | Confident | 17 Ų | 17 | 74.9 Ų | 74.9 | 11% | 0.11 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 137.9 | 179.6 | 34.9 | -32.3 | 0 | 0 | 0 | 111.3 | L358 F367 C369 A370 L376 F381 | L358-P388 HydrophobicContact CD1-CB 4.16Å; L358-P388 HydrophobicContact CD1-CG 4.06Å; F367-P388 HydrophobicContact CD2-CG 4.34Å; F367-P388 HydrophobicContact CE2-CB 3.83Å; F367-P388 HydrophobicContact CE2-CG 3.83Å; F367-P388 HydrophobicContact CZ-CB 3.88Å; F367-P388 HydrophobicContact CZ-CG 4.35Å; C369-P388 WeakPolarHBondContact CA-O 3.48Å; A370-P388 PolarHBondContact N-O 2.88Å; L376-P388 HydrophobicContact CD1-CB 3.69Å; L376-P388 HydrophobicContact CD1-CG 4.17Å; F381-P388 HydrophobicContact CD2-CB 3.88Å; F381-P388 HydrophobicContact CE2-CB 4.41Å; F381-P388 HydrophobicContact CG-CB 4.5Å |
| 389 | Y | 90.2 | Very high | 86.7 | Confident | 30 Ų | 30 | 75.6 Ų | 75.6 | 12% | 0.118 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141.8 | 178 | -64.6 | -95.9 | 0 | 0 | 0 | 110.3 | A370 F371 F381 K382 Q384 K387 L397 F398 | A370-Y389 HydrophobicContact CB-CD1 4.48Å; A370-Y389 HydrophobicContact CB-CE1 4.01Å; A370-Y389 HydrophobicContact CB-CE2 4.44Å; F371-Y389 HydrophobicContact CB-CD1 4.23Å; F371-Y389 HydrophobicContact CB-CE1 4.24Å; F381-Y389 CarbonylContact C-O 3.52Å; F381-Y389 WeakPolarHBondContact CA-O 3.42Å; F381-Y389 WeakPolarHBondContact CB-O 3.38Å; K382-Y389 PolarHBondContact N-O 3.32Å; K382-Y389 PolarHBondContact O-N 3.33Å; Q384-Y389 HydrophobicContact CB-CD2 4.1Å; Q384-Y389 HydrophobicContact CB-CE2 3.8Å; K387-Y389 HydrophobicContact CB-CE2 3.73Å; K387-Y389 VanDerWaalsContact O-CD2 3.25Å; K387-Y389 WeakPolarHBondContact O-CD2 3.02Å; K387-Y389 WeakPolarHBondContact O-CE2 3.4Å; Y389-L397 HydrophobicContact CD1-CD1 4.1Å; Y389-L397 HydrophobicContact CE1-CD1 3.96Å; Y389-F398 HydrophobicContact CD1-CE2 4.08Å; Y389-F398 HydrophobicContact CD2-CE2 4.02Å; Y389-F398 AromaticContact CE1-CE2 3.9Å; Y389-F398 HydrophobicContact CE1-CE2 3.9Å; Y389-F398 HydrophobicContact CE1-CZ 4.09Å; Y389-F398 AromaticContact CE2-CE2 3.86Å; Y389-F398 HydrophobicContact CE2-CE2 3.86Å; Y389-F398 HydrophobicContact CE2-CZ 4.1Å; Y389-F398 HydrophobicContact CG-CE2 4.14Å; Y389-F398 AromaticContact CZ-CE2 3.8Å; Y389-F398 AromaticContact CZ-CZ 3.76Å |
| 390 | C | 91.3 | Very high | 87.8 | Confident | 21 Ų | 21 | 75.9 Ų | 75.9 | 14% | 0.142 | 40% | 0.396 | C | S | . | . | trans | -69.3 | 151.3 | 167.1 | 73.1 | 0 | 0 | 0 | 0 | 109.4 | C369 L376 A392 C393 F394 | C369-C390 HydrophobicContact CB-CB 4.37Å; C369-C390 PolarHBondContact SG-N 3.29Å; C369-C390 VanDerWaalsContact SG-N 3.37Å; L376-C390 HydrophobicContact CD2-CB 3.64Å; C390-A392 PolarHBondContact O-N 3.46Å; C390-A392 VanDerWaalsContact O-N 3.11Å; C390-C393 PolarHBondContact O-N 3.02Å; C390-C393 PolarHBondContact SG-SG 3.05Å; C390-F394 PolarHBondContact O-N 2.92Å | ||
| 391 | T | 88.7 | Confident | 88.3 | Confident | 56 Ų | 56 | 74.2 Ų | 74.2 | 34% | 0.344 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -52.1 | -39.3 | -176.1 | -47.1 | 0 | 0 | 0 | 0 | 113 | N395 | T391-N395 VanDerWaalsContact O-CB 3.32Å; T391-N395 WeakPolarHBondContact O-CB 3.33Å; T391-N395 PolarHBondContact O-N 2.98Å; T391-N395 PolarHBondContact O-OD1 2.88Å |
| 392 | A | 89.9 | Confident | 88.4 | Confident | 66 Ų | 66 | 75 Ų | 75 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.2 | -28.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | C390 K396 | C390-A392 PolarHBondContact O-N 3.46Å; C390-A392 VanDerWaalsContact O-N 3.11Å; A392-K396 WeakPolarHBondContact O-CG 3.32Å |
| 393 | C | 90.9 | Very high | 88.4 | Confident | 15 Ų | 15 | 75.2 Ų | 75.2 | 10% | 0.101 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -83.8 | -40.8 | 174.5 | -72 | 0 | 0 | 0 | 0 | 111.3 | F371 C372 C390 N395 K396 L397 | F371-C393 HydrophobicContact CB-CB 4.22Å; F371-C393 HydrophobicContact CD1-CB 4.26Å; C372-C393 VanDerWaalsContact SG-SG 3.61Å; C390-C393 PolarHBondContact O-N 3.02Å; C390-C393 PolarHBondContact SG-SG 3.05Å; C393-N395 PolarHBondContact O-N 2.86Å; C393-K396 PolarHBondContact O-N 2.99Å; C393-K396 VanDerWaalsContact O-N 3.13Å; C393-L397 WeakPolarHBondContact O-CD1 3.26Å; C393-L397 VanDerWaalsContact O-CG 3.26Å; C393-L397 WeakPolarHBondContact O-CG 3.47Å; C393-L397 PolarHBondContact O-N 3.1Å |
| 394 | F | 90.3 | Very high | 88.4 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 11% | 0.105 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 175.6 | -173.4 | -76 | 0 | 0 | 0 | 111 | K382 Q384 C390 K396 L397 F398 L399 | K382-F394 HydrophobicContact CB-CB 4.04Å; K382-F394 HydrophobicContact CB-CD1 4.39Å; K382-F394 HydrophobicContact CB-CD2 3.33Å; K382-F394 HydrophobicContact CB-CE2 3.81Å; K382-F394 HydrophobicContact CB-CG 3.67Å; K382-F394 HydrophobicContact CD-CB 3.85Å; K382-F394 HydrophobicContact CD-CD1 3.31Å; K382-F394 HydrophobicContact CD-CD2 3.86Å; K382-F394 HydrophobicContact CD-CE1 3.76Å; K382-F394 HydrophobicContact CD-CE2 4.22Å; K382-F394 HydrophobicContact CD-CG 3.38Å; K382-F394 HydrophobicContact CD-CZ 4.19Å; K382-F394 HydrophobicContact CG-CB 4.49Å; K382-F394 HydrophobicContact CG-CD2 4.27Å; K382-F394 HydrophobicContact CG-CG 4.17Å; Q384-F394 HydrophobicContact CB-CE2 4.03Å; C390-F394 PolarHBondContact O-N 2.92Å; F394-K396 PolarHBondContact O-N 3.25Å; F394-L397 PolarHBondContact O-N 3.13Å; F394-L397 VanDerWaalsContact O-N 3.1Å; F394-F398 HydrophobicContact CB-CD2 4.46Å; F394-F398 HydrophobicContact CD1-CB 4.31Å; F394-F398 HydrophobicContact CD1-CD2 4.32Å; F394-F398 AromaticContact CD2-CD2 3.62Å; F394-F398 HydrophobicContact CD2-CD2 3.62Å; F394-F398 HydrophobicContact CD2-CE2 4.2Å; F394-F398 HydrophobicContact CE1-CB 3.97Å; F394-F398 HydrophobicContact CE1-CD2 4.48Å; F394-F398 HydrophobicContact CE2-CB 4.5Å; F394-F398 AromaticContact CE2-CD2 3.84Å; F394-F398 HydrophobicContact CE2-CD2 3.84Å; F394-F398 HydrophobicContact CE2-CG 4.48Å; F394-F398 AromaticContact CG-CD2 3.89Å; F394-F398 HydrophobicContact CG-CD2 3.89Å; F394-F398 HydrophobicContact CZ-CB 4.08Å; F394-F398 HydrophobicContact CZ-CD2 4.26Å; F394-F398 PolarHBondContact O-N 3.47Å; F394-L399 HydrophobicContact CD1-CD1 4.25Å; F394-L399 HydrophobicContact CE1-CD1 4.2Å |
| 395 | N | 90.5 | Very high | 88.5 | Confident | 73 Ų | 73 | 74 Ų | 74 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.1 | -0.7 | -180 | -65.4 | 7.4 | 0 | 0 | 0 | 114.3 | K382 T391 C393 L399 | K382-N395 PolarHBondContact NZ-OD1 2.79Å; T391-N395 VanDerWaalsContact O-CB 3.32Å; T391-N395 WeakPolarHBondContact O-CB 3.33Å; T391-N395 PolarHBondContact O-N 2.98Å; T391-N395 PolarHBondContact O-OD1 2.88Å; C393-N395 PolarHBondContact O-N 2.86Å; N395-L399 HydrophobicContact CB-CD1 4.32Å; N395-L399 WeakPolarHBondContact OD1-CD1 3.26Å |
| 396 | K | 90.5 | Very high | 88.6 | Confident | 175 Ų | 175 | 69 Ų | 69 | 76% | 0.761 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -110.1 | -9.3 | 173.9 | -77 | -175.8 | 176.1 | -167.7 | 0 | 113.4 | A392 C393 F394 | A392-K396 WeakPolarHBondContact O-CG 3.32Å; C393-K396 PolarHBondContact O-N 2.99Å; C393-K396 VanDerWaalsContact O-N 3.13Å; F394-K396 PolarHBondContact O-N 3.25Å |
| 397 | L | 88.5 | Confident | 89 | Confident | 74 Ų | 74 | 70.6 Ų | 70.6 | 39% | 0.387 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -119 | -25.1 | -172.9 | -66.2 | 171.5 | 0 | 0 | 0 | 112.5 | F371 Y389 C393 F394 | F371-L397 HydrophobicContact CB-CD1 3.93Å; F371-L397 HydrophobicContact CD2-CD1 3.72Å; F371-L397 HydrophobicContact CD2-CD2 4.2Å; F371-L397 HydrophobicContact CE2-CD1 4.37Å; F371-L397 HydrophobicContact CE2-CD2 4.06Å; F371-L397 HydrophobicContact CG-CD1 3.83Å; Y389-L397 HydrophobicContact CD1-CD1 4.1Å; Y389-L397 HydrophobicContact CE1-CD1 3.96Å; C393-L397 WeakPolarHBondContact O-CD1 3.26Å; C393-L397 VanDerWaalsContact O-CG 3.26Å; C393-L397 WeakPolarHBondContact O-CG 3.47Å; C393-L397 PolarHBondContact O-N 3.1Å; F394-L397 PolarHBondContact O-N 3.13Å; F394-L397 VanDerWaalsContact O-N 3.1Å |
| 398 | F | 87.8 | Confident | 89.1 | Confident | 87 Ų | 87 | 66.7 Ų | 66.7 | 38% | 0.382 | 35% | 0.353 | S | S | . | . | trans | -136 | 2.9 | -170.3 | -48.9 | -62 | 0 | 0 | 0 | 114.1 | Q384 Y389 F394 | Q384-F398 HydrophobicContact CB-CD2 4.17Å; Q384-F398 HydrophobicContact CB-CE2 3.78Å; Q384-F398 HydrophobicContact CB-CZ 3.97Å; Q384-F398 HydrophobicContact CG-CD1 4.09Å; Q384-F398 HydrophobicContact CG-CD2 4.21Å; Q384-F398 HydrophobicContact CG-CE1 3.89Å; Q384-F398 HydrophobicContact CG-CE2 4.01Å; Q384-F398 HydrophobicContact CG-CG 4.25Å; Q384-F398 HydrophobicContact CG-CZ 3.85Å; Y389-F398 HydrophobicContact CD1-CE2 4.08Å; Y389-F398 HydrophobicContact CD2-CE2 4.02Å; Y389-F398 AromaticContact CE1-CE2 3.9Å; Y389-F398 HydrophobicContact CE1-CE2 3.9Å; Y389-F398 HydrophobicContact CE1-CZ 4.09Å; Y389-F398 AromaticContact CE2-CE2 3.86Å; Y389-F398 HydrophobicContact CE2-CE2 3.86Å; Y389-F398 HydrophobicContact CE2-CZ 4.1Å; Y389-F398 HydrophobicContact CG-CE2 4.14Å; Y389-F398 AromaticContact CZ-CE2 3.8Å; Y389-F398 AromaticContact CZ-CZ 3.76Å; F394-F398 HydrophobicContact CB-CD2 4.46Å; F394-F398 HydrophobicContact CD1-CB 4.31Å; F394-F398 HydrophobicContact CD1-CD2 4.32Å; F394-F398 AromaticContact CD2-CD2 3.62Å; F394-F398 HydrophobicContact CD2-CD2 3.62Å; F394-F398 HydrophobicContact CD2-CE2 4.2Å; F394-F398 HydrophobicContact CE1-CB 3.97Å; F394-F398 HydrophobicContact CE1-CD2 4.48Å; F394-F398 HydrophobicContact CE2-CB 4.5Å; F394-F398 AromaticContact CE2-CD2 3.84Å; F394-F398 HydrophobicContact CE2-CD2 3.84Å; F394-F398 HydrophobicContact CE2-CG 4.48Å; F394-F398 AromaticContact CG-CD2 3.89Å; F394-F398 HydrophobicContact CG-CD2 3.89Å; F394-F398 HydrophobicContact CZ-CB 4.08Å; F394-F398 HydrophobicContact CZ-CD2 4.26Å; F394-F398 PolarHBondContact O-N 3.47Å | ||
| 399 | L | 80.9 | Confident | 89 | Confident | 162 Ų | 162 | 71.2 Ų | 71.2 | 85% | 0.848 | 38% | 0.375 | S | S | * | . | trans | -133.5 | 0 | 170.8 | -77.7 | 157.7 | 0 | 0 | 0 | 107.7 | F394 N395 | F394-L399 HydrophobicContact CD1-CD1 4.25Å; F394-L399 HydrophobicContact CE1-CD1 4.2Å; N395-L399 HydrophobicContact CB-CD1 4.32Å; N395-L399 WeakPolarHBondContact OD1-CD1 3.26Å |
Retrieved 399 of 399 residues in 609.3 ms
(Link to these results)