| 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 | 32 | Very low | 29.7 | Very low | 231 Ų | 231 | 125.6 Ų | 125.6 | 100% | 1.138 | 81% | 0.81 | S | S | * | * | 0 | 93.1 | 0 | -60 | 168.8 | -174.3 | 0 | 0 | 105 | |||||
| 2 | C | 25.6 | Very low | 29.2 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | 69 | 116 | 62.5 | -51 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 3 | V | 31.1 | Very low | 29 | Very low | 136 Ų | 136 | 134 Ų | 134 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | cis | -140.6 | 150.8 | 14.8 | 175.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 4 | S | 31.5 | Very low | 29 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -24.1 | 175.1 | 159.1 | -58.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 5 | S | 33.7 | Very low | 28.9 | Very low | 105 Ų | 105 | 140.7 Ų | 140.7 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | cis | 178.6 | 165.1 | -23 | -80.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 6 | V | 32.2 | Very low | 28.7 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -1.1 | 145.8 | 142.7 | 177.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 7 | T | 30.4 | Very low | 28.7 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | cis | -116.5 | -177.9 | 15.6 | 25.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 8 | A | 29.3 | Very low | 28.7 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | 93.8 | 161.4 | 18.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 9 | V | 27.6 | Very low | 28.6 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | trans | 97.2 | 92.2 | 170.6 | -168.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 10 | A | 27.7 | Very low | 28.5 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | 37.6 | 146.3 | 123.5 | 0 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 11 | S | 25.8 | Very low | 28.6 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | 94.7 | 101.1 | 135.2 | -148.7 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 12 | C | 23.7 | Very low | 28.6 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | 29.9 | 118.9 | 123.2 | -170 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 13 | R | 25.9 | Very low | 28.8 | Very low | 246 Ų | 246 | 143.2 Ų | 143.2 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | -167.2 | 162.5 | 121 | -109.1 | 173.8 | -175.1 | -159 | 0.8 | 114.3 | |||||
| 14 | R | 30.1 | Very low | 29.9 | Very low | 236 Ų | 236 | 141.8 Ų | 141.8 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -74.3 | 162.7 | 171.3 | -57.3 | 169.3 | 173.9 | 165.4 | -4.4 | 111.3 | ||||
| 15 | V | 26.3 | Very low | 30 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | -165.4 | 158 | 122.4 | 136.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 16 | Q | 26.8 | Very low | 29.8 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 179.7 | -163.6 | -59.4 | 142.8 | -81.5 | 0 | 0 | 118.9 | ||||
| 17 | A | 28.3 | Very low | 29.6 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 88.2 | 153 | 146.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 18 | A | 29.3 | Very low | 29.7 | Very low | 85 Ų | 85 | 146.5 Ų | 146.5 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | cis | -169.9 | 154.5 | -27.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 19 | W | 26.2 | Very low | 29.8 | Very low | 224 Ų | 224 | 149 Ų | 149 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 58.9 | 118.1 | 147.4 | -84.4 | 43.8 | 0 | 0 | 0 | 122.6 | L21 | W19-L21 HydrophobicContact CE3-CD1 3.89Å; W19-L21 HydrophobicContact CZ3-CD1 3.88Å | ||
| 20 | K | 27.2 | Very low | 29.9 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | -175.7 | 118.5 | 120.3 | -96.6 | 161.7 | -175.7 | 178.8 | 0 | 108.3 | |||||
| 21 | L | 30.4 | Very low | 30 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | 68.9 | 102.3 | 67.3 | -85.7 | 169 | 0 | 0 | 0 | 115.9 | W19 | W19-L21 HydrophobicContact CE3-CD1 3.89Å; W19-L21 HydrophobicContact CZ3-CD1 3.88Å | |||
| 22 | T | 31.1 | Very low | 31.1 | Very low | 145 Ų | 145 | 154.2 Ų | 154.2 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | -162.5 | 155.9 | 116 | 24.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 23 | F | 30.4 | Very low | 31.4 | Very low | 193 Ų | 193 | 152 Ų | 152 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -142.4 | 163.5 | 177.6 | -129.3 | -64.8 | 0 | 0 | 0 | 107.7 | ||||
| 24 | P | 53.8 | Low | 31.7 | Very low | 106 Ų | 106 | 152.8 Ų | 152.8 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | -150.1 | 153.3 | 107.6 | 37.4 | -21.1 | 0 | 0 | 0 | 116.7 | |||||
| 25 | L | 33.2 | Very low | 31.6 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 33.1 | 148.1 | 143.9 | -79.2 | 56.8 | 0 | 0 | 0 | 120.9 | ||||
| 26 | L | 29.4 | Very low | 31.9 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 71% | 0.712 | 79% | 0.785 | S | S | * | * | cis | -159.5 | 154.2 | 41.1 | -164.9 | 71.1 | 0 | 0 | 0 | 113.1 | ||||
| 27 | L | 29.4 | Very low | 32.1 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | 24 | 131.6 | 162.3 | -85.6 | 45.7 | 0 | 0 | 0 | 121.8 | ||||
| 28 | L | 32.3 | Very low | 32.1 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | 62.3 | 124.8 | 62.7 | -81.8 | 151.3 | 0 | 0 | 0 | 113 | |||||
| 29 | L | 31 | Very low | 32.4 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | cis | -156.4 | 151.4 | 47 | -88.5 | 163.4 | 0 | 0 | 0 | 115.5 | ||||
| 30 | L | 30 | Very low | 33.3 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | 77.8 | 138.8 | 143.2 | -68.6 | 166.3 | 0 | 0 | 0 | 124.7 | ||||
| 31 | L | 30.5 | Very low | 33.7 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -104.9 | -165.8 | 171.5 | -61.6 | 159 | 0 | 0 | 0 | 108.8 | ||||
| 32 | P | 47.4 | Very low | 34.9 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | cis | -121.1 | -166.4 | -18 | 18.7 | 7.9 | 0 | 0 | 0 | 111.1 | ||||
| 33 | G | 31.1 | Very low | 34.8 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | cis | 145 | 156.5 | -4.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 34 | R | 30.7 | Very low | 34.8 | Very low | 263 Ų | 263 | 135.1 Ų | 135.1 | 99% | 0.992 | 77% | 0.77 | S | S | * | * | trans | 68.7 | 150.2 | -171.1 | -61.5 | 174.9 | 164.4 | 160.4 | -6.2 | 115.5 | ||||
| 35 | G | 28.5 | Very low | 33.7 | Very low | 69 Ų | 69 | 137.7 Ų | 137.7 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | cis | 142.7 | 153.5 | -15.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 36 | V | 32.9 | Very low | 33.6 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | trans | 88.4 | 107.3 | 155.6 | -172.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 37 | Q | 30.1 | Very low | 34.3 | Very low | 193 Ų | 193 | 133.4 Ų | 133.4 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | 59.6 | 152.8 | 143.1 | -63.2 | 167.8 | -11.4 | 0 | 0 | 122.7 | ||||
| 38 | G | 29.4 | Very low | 34.5 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 81% | 0.814 | 78% | 0.779 | S | S | * | * | trans | 155.1 | 62 | 161.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 39 | V | 35.4 | Very low | 34.5 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | trans | -90.4 | 134.5 | 167.2 | 171.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 40 | P | 45.5 | Very low | 34.9 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | -151.1 | -179.3 | 70.7 | 41.4 | -20 | 0 | 0 | 0 | 119 | |||||
| 41 | S | 34.6 | Very low | 35.1 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -79.1 | -160.3 | 166 | 59.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 42 | P | 56.6 | Low | 35.7 | Very low | 95 Ų | 95 | 128.7 Ų | 128.7 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | cis | -142.9 | -161.2 | 6.2 | 24.8 | 5 | 0 | 0 | 0 | 116.1 | ||||
| 43 | F | 29 | Very low | 34.9 | Very low | 175 Ų | 175 | 127.1 Ų | 127.1 | 77% | 0.768 | 78% | 0.778 | S | S | * | * | trans | 73.7 | 152.6 | 168.7 | -68.4 | -97.1 | 0 | 0 | 0 | 118.2 | ||||
| 44 | Q | 29.4 | Very low | 35.1 | Very low | 149 Ų | 149 | 133 Ų | 133 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | cis | -169.7 | 172.8 | -37 | -145.9 | 178.4 | 17.8 | 0 | 0 | 109.8 | ||||
| 45 | L | 30.7 | Very low | 35.4 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | 76.2 | 140.2 | 161.6 | -64.3 | 158.2 | 0 | 0 | 0 | 118.8 | ||||
| 46 | A | 31.1 | Very low | 35.6 | Very low | 88 Ų | 88 | 128.3 Ų | 128.3 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -103.9 | 175.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 47 | P | 45.5 | Very low | 36.4 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | -150.8 | -168 | 80.8 | 41.7 | -22.3 | 0 | 0 | 0 | 115.6 | |||||
| 48 | D | 33.2 | Very low | 37 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 73.6 | 101.1 | 156 | -57.9 | -23.3 | 0 | 0 | 0 | 121.5 | ||||
| 49 | T | 32.7 | Very low | 37.4 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 83% | 0.828 | 79% | 0.787 | S | S | * | * | trans | -63.9 | 147.5 | 154 | 43.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 50 | P | 38.3 | Very low | 37.7 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | -134.3 | 172.2 | 83.7 | 36.1 | -22.9 | 0 | 0 | 0 | 115.3 | |||||
| 51 | S | 35.3 | Very low | 37.5 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | -75.4 | 168.9 | 175.7 | 76.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 52 | P | 42.5 | Very low | 38.1 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | -147.8 | -165.2 | 53.9 | 43.5 | -22.8 | 0 | 0 | 0 | 116.4 | |||||
| 53 | A | 30.2 | Very low | 38.1 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | 86.4 | 123.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 54 | E | 36 | Very low | 39.5 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -104.8 | 131.2 | 179.7 | 176.4 | 180 | -148.6 | 0 | 0 | 109.8 | ||||
| 55 | P | 36.3 | Very low | 41.2 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 152.6 | 174 | 35.6 | -32.2 | 0 | 0 | 0 | 112.9 | ||
| 56 | S | 33.1 | Very low | 42.8 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 157.6 | -177.1 | 37.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 57 | P | 49.4 | Very low | 44.7 | Very low | 129 Ų | 129 | 121.1 Ų | 121.1 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 150.9 | -163.2 | 32 | -37.3 | 0 | 0 | 0 | 115.2 | ||
| 58 | T | 42.1 | Very low | 46 | Very low | 141 Ų | 141 | 123.3 Ų | 123.3 | 87% | 0.865 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 165 | 168.8 | 35 | 0 | 0 | 0 | 0 | 113.1 | ||
| 59 | Q | 37.8 | Very low | 47.7 | Very low | 187 Ų | 187 | 119.4 Ų | 119.4 | 87% | 0.874 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 144.3 | -169.5 | -167.8 | 172.8 | -17.1 | 0 | 0 | 113.6 | ||
| 60 | P | 42.1 | Very low | 49.5 | Very low | 121 Ų | 121 | 123 Ų | 123 | 79% | 0.786 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 155.8 | -169 | 31.4 | -37.5 | 0 | 0 | 0 | 115.1 | ||
| 61 | T | 42.2 | Very low | 51.1 | Low | 122 Ų | 122 | 118.3 Ų | 118.3 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 161.6 | 170.2 | 45.1 | 0 | 0 | 0 | 0 | 112.8 | ||
| 62 | P | 47.1 | Very low | 53.1 | Low | 124 Ų | 124 | 113.9 Ų | 113.9 | 81% | 0.805 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 150.5 | 165.9 | -18.1 | 31.9 | 0 | 0 | 0 | 111.1 | ||
| 63 | R | 55.7 | Low | 54.7 | Low | 208 Ų | 208 | 112.5 Ų | 112.5 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -99 | 143.6 | 174.4 | -71 | -176.9 | -89.4 | -163.9 | -3.8 | 109.9 | W91 | R63-W91 HydrophobicContact CB-CH2 3.65Å; R63-W91 HydrophobicContact CB-CZ2 3.83Å; R63-W91 HydrophobicContact CG-CH2 4.35Å; R63-W91 HydrophobicContact CG-CZ2 4.27Å |
| 64 | P | 58.9 | Low | 56.5 | Low | 94 Ų | 94 | 111.7 Ų | 111.7 | 61% | 0.61 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 160.3 | 179.8 | 31.1 | -36 | 0 | 0 | 0 | 112.1 | ||
| 65 | D | 64.3 | Low | 58.1 | Low | 87 Ų | 87 | 106 Ų | 106 | 47% | 0.465 | 62% | 0.615 | S | S | . | * | P | Polyproline II helix | trans | -89.9 | 124.9 | -178.8 | -179.2 | -24.3 | 0 | 0 | 0 | 110.5 | C67 E68 | D65-C67 PolarHBondContact O-N 3.24Å; D65-C67 WeakPolarHBondContact OD1-CB 3Å; D65-C67 PolarHBondContact OD1-N 3.03Å; D65-E68 HydrophobicContact CB-CG 4.2Å; D65-E68 PolarHBondContact O-N 3.25Å |
| 66 | P | 64.9 | Low | 60.1 | Low | 35 Ų | 35 | 101.1 Ų | 101.1 | 23% | 0.227 | 59% | 0.585 | C | S | . | * | G | 310 helix | trans | -63.4 | -20.9 | -178.7 | 26.9 | -35.2 | 0 | 0 | 0 | 114.2 | A80 W91 | P66-A80 HydrophobicContact CG-CB 3.82Å; P66-W91 HydrophobicContact CB-CB 4.4Å; P66-W91 HydrophobicContact CG-CE3 4.44Å |
| 67 | C | 71.3 | Confident | 62.4 | Low | 28 Ų | 28 | 101 Ų | 101 | 19% | 0.189 | 58% | 0.575 | C | S | . | * | G | 310 helix | trans | -81.3 | -12.4 | 177.9 | -72.9 | 0 | 0 | 0 | 0 | 114 | D65 G69 R70 C78 | D65-C67 PolarHBondContact O-N 3.24Å; D65-C67 WeakPolarHBondContact OD1-CB 3Å; D65-C67 PolarHBondContact OD1-N 3.03Å; C67-G69 PolarHBondContact O-N 2.83Å; C67-R70 PolarHBondContact O-N 3Å; C67-R70 VanDerWaalsContact O-N 3.09Å; C67-C78 VanDerWaalsContact CA-SG 3.53Å; C67-C78 HydrophobicContact CB-CB 3.85Å; C67-C78 WeakPolarHBondContact CB-SG 3.49Å; C67-C78 WeakPolarHBondContact SG-CB 3.26Å; C67-C78 CovalentContact SG-SG 2.05Å; C67-C78 PolarHBondContact SG-SG 3.43Å |
| 68 | E | 72.4 | Confident | 64 | Low | 152 Ų | 152 | 96.2 Ų | 96.2 | 71% | 0.71 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -59 | -31.5 | 176.1 | -79.5 | -173.4 | 124.4 | 0 | 0 | 112.5 | D65 R70 | D65-E68 HydrophobicContact CB-CG 4.2Å; D65-E68 PolarHBondContact O-N 3.25Å; E68-R70 PolarHBondContact O-N 3Å |
| 69 | G | 69.4 | Low | 65.8 | Low | 69 Ų | 69 | 93.6 Ų | 93.6 | 71% | 0.711 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -72.6 | -3.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | C67 | C67-G69 PolarHBondContact O-N 2.83Š|
| 70 | R | 69.8 | Low | 67.4 | Low | 211 Ų | 211 | 87 Ų | 87 | 80% | 0.796 | 50% | 0.502 | S | S | * | . | trans | 48.7 | 58.4 | -172.1 | -58.9 | -176 | 176.6 | -160.1 | -1.8 | 113.4 | C67 E68 C72 | C67-R70 PolarHBondContact O-N 3Å; C67-R70 VanDerWaalsContact O-N 3.09Å; E68-R70 PolarHBondContact O-N 3Å; R70-C72 PolarHBondContact O-N 3Å | ||
| 71 | P | 72.5 | Confident | 68.6 | Low | 26 Ų | 26 | 85 Ų | 85 | 17% | 0.169 | 48% | 0.484 | C | S | . | . | trans | -65.9 | -26 | -176.8 | 28.3 | -35.7 | 0 | 0 | 0 | 113.6 | Y93 N105 | P71-Y93 HydrophobicContact CB-CD2 4.26Å; P71-Y93 HydrophobicContact CB-CE2 3.56Å; P71-Y93 HydrophobicContact CG-CD2 3.82Å; P71-Y93 HydrophobicContact CG-CE2 3.65Å; P71-Y93 HydrophobicContact CG-CG 4.48Å; P71-N105 WeakPolarHBondContact O-CB 3.25Å | ||
| 72 | C | 76.6 | Confident | 69.4 | Low | 16 Ų | 16 | 87 Ų | 87 | 11% | 0.108 | 49% | 0.49 | C | S | . | . | trans | -80.2 | 120.7 | 177.6 | -46.8 | 0 | 0 | 0 | 0 | 111.4 | R70 G76 C78 C95 | R70-C72 PolarHBondContact O-N 3Å; C72-G76 VanDerWaalsContact CB-O 3.28Å; C72-G76 WeakPolarHBondContact CB-O 3.36Å; C72-C78 WeakPolarHBondContact SG-CA 3.48Å; C72-C78 WeakPolarHBondContact SG-CB 3.25Å; C72-C95 WeakPolarHBondContact CA-SG 3.45Å; C72-C95 HydrophobicContact CB-CB 3.75Å; C72-C95 WeakPolarHBondContact CB-SG 3.04Å; C72-C95 VanDerWaalsContact SG-CA 3.53Å; C72-C95 WeakPolarHBondContact SG-CB 3.39Å; C72-C95 CovalentContact SG-SG 2.03Å; C72-C95 PolarHBondContact SG-SG 3.31Å | ||
| 73 | L | 75.7 | Confident | 69.8 | Low | 91 Ų | 91 | 85.6 Ų | 85.6 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | trans | -87.2 | 174.9 | 179.3 | -58.1 | 179.6 | 0 | 0 | 0 | 111.5 | G75 G76 N105 E107 | L73-G75 PolarHBondContact O-N 2.88Å; L73-G76 PolarHBondContact O-N 2.96Å; L73-N105 PolarHBondContact N-O 3.4Å; L73-E107 HydrophobicContact CD1-CB 4.07Å | ||
| 74 | N | 68.9 | Low | 69.4 | Low | 82 Ų | 82 | 81.4 Ų | 81.4 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 24.2 | 169.6 | -58.7 | -43.2 | 0 | 0 | 0 | 116.2 | S98 F101 C106 | N74-S98 PolarHBondContact O-OG 2.03Å; N74-F101 HydrophobicContact CB-CD1 3.58Å; N74-F101 HydrophobicContact CB-CD2 4.21Å; N74-F101 HydrophobicContact CB-CE1 3.6Å; N74-F101 HydrophobicContact CB-CE2 4.24Å; N74-F101 HydrophobicContact CB-CG 3.9Å; N74-F101 HydrophobicContact CB-CZ 3.94Å; N74-F101 WeakPolarHBondContact ND2-CD1 3.36Å; N74-F101 WeakPolarHBondContact ND2-CE1 3.29Å; N74-C106 PolarHBondContact ND2-O 3.21Å |
| 75 | G | 69.1 | Low | 68.8 | Low | 72 Ų | 72 | 85.7 Ų | 85.7 | 74% | 0.742 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 9.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | L73 | L73-G75 PolarHBondContact O-N 2.88Š|
| 76 | G | 78 | Confident | 67.7 | Low | 14 Ų | 14 | 93.1 Ų | 93.1 | 14% | 0.144 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 144.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C72 L73 T96 | C72-G76 VanDerWaalsContact CB-O 3.28Å; C72-G76 WeakPolarHBondContact CB-O 3.36Å; L73-G76 PolarHBondContact O-N 2.96Å; G76-T96 CarbonylContact C-O 3.53Å; G76-T96 WeakPolarHBondContact CA-O 3.47Å |
| 77 | L | 82.3 | Confident | 66.9 | Low | 111 Ų | 111 | 99.8 Ų | 99.8 | 58% | 0.581 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 123.8 | -177.2 | -176.8 | 75.9 | 0 | 0 | 0 | 110.8 | C95 T96 | L77-C95 WeakPolarHBondContact O-CA 3.35Å; L77-T96 PolarHBondContact N-O 2.83Å; L77-T96 PolarHBondContact O-N 2.04Å; L77-T96 PolarHBondContact O-OG1 3.48Å |
| 78 | C | 82.1 | Confident | 65.4 | Low | 30 Ų | 30 | 107.4 Ų | 107.4 | 20% | 0.203 | 58% | 0.584 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.3 | 133.2 | -180 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | C67 C72 | C67-C78 VanDerWaalsContact CA-SG 3.53Å; C67-C78 HydrophobicContact CB-CB 3.85Å; C67-C78 WeakPolarHBondContact CB-SG 3.49Å; C67-C78 WeakPolarHBondContact SG-CB 3.26Å; C67-C78 CovalentContact SG-SG 2.05Å; C67-C78 PolarHBondContact SG-SG 3.43Å; C72-C78 WeakPolarHBondContact SG-CA 3.48Å; C72-C78 WeakPolarHBondContact SG-CB 3.25Å |
| 79 | L | 81.1 | Confident | 64.1 | Low | 85 Ų | 85 | 106.1 Ų | 106.1 | 45% | 0.445 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129 | 118 | 172.3 | -64.7 | 171.8 | 0 | 0 | 0 | 109.5 | Y93 T94 | L79-Y93 CarbonylContact O-C 3.57Å; L79-Y93 WeakPolarHBondContact O-CA 3.37Å; L79-T94 HydrophobicContact CB-CG2 3.93Å; L79-T94 PolarHBondContact N-O 3.38Å; L79-T94 PolarHBondContact O-N 3.2Å |
| 80 | A | 71.7 | Confident | 62.8 | Low | 49 Ų | 49 | 107.4 Ų | 107.4 | 41% | 0.405 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.2 | 130.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P66 | P66-A80 HydrophobicContact CG-CB 3.82Å |
| 81 | L | 66.6 | Low | 62.1 | Low | 78 Ų | 78 | 104 Ų | 104 | 41% | 0.408 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -96.4 | 127 | 177.9 | -58.4 | -179.9 | 0 | 0 | 0 | 109.9 | P83 E92 T94 | L81-P83 WeakPolarHBondContact O-CD 3.03Å; L81-E92 HydrophobicContact CB-CB 4.38Å; L81-E92 WeakPolarHBondContact CB-O 3.49Å; L81-E92 HydrophobicContact CD1-CG 4.12Å; L81-E92 PolarHBondContact N-O 3.21Å; L81-T94 HydrophobicContact CD1-CG2 4.49Å; L81-T94 HydrophobicContact CD2-CG2 4.33Å; L81-T94 HydrophobicContact CG-CG2 4.46Å |
| 82 | L | 59.3 | Low | 61.5 | Low | 166 Ų | 166 | 109.1 Ų | 109.1 | 87% | 0.869 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 116.8 | 175.9 | -77.6 | 168.1 | 0 | 0 | 0 | 109.8 | ||
| 83 | P | 55.4 | Low | 61.4 | Low | 94 Ų | 94 | 111 Ų | 111 | 61% | 0.61 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 142.8 | -175.2 | 28.2 | -34.8 | 0 | 0 | 0 | 112.1 | L81 | L81-P83 WeakPolarHBondContact O-CD 3.03Š|
| 84 | P | 47 | Very low | 61.4 | Low | 120 Ų | 120 | 109.4 Ų | 109.4 | 78% | 0.779 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 157.5 | 167.9 | 30.3 | -34.5 | 0 | 0 | 0 | 111 | R86 | P84-R86 PolarHBondContact O-N 2.92Š|
| 85 | L | 47.4 | Very low | 61.9 | Low | 183 Ų | 183 | 106.1 Ų | 106.1 | 96% | 0.958 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -64.9 | 75.9 | -168.3 | -71.5 | 163.8 | 0 | 0 | 0 | 115.5 | ||
| 86 | R | 40.9 | Very low | 62.4 | Low | 243 Ų | 243 | 106 Ų | 106 | 92% | 0.917 | 57% | 0.567 | S | S | * | * | trans | -139.3 | 166.7 | 157.9 | -75.6 | -157.9 | 170.3 | 166.2 | 0.8 | 112.4 | P84 | P84-R86 PolarHBondContact O-N 2.92Š| ||
| 87 | L | 47.8 | Very low | 62.3 | Low | 175 Ų | 175 | 107.7 Ų | 107.7 | 92% | 0.916 | 58% | 0.576 | S | S | * | * | trans | -98.5 | 91 | -162.7 | -177 | 76.8 | 0 | 0 | 0 | 111.4 | ||||
| 88 | E | 39.8 | Very low | 61.7 | Low | 188 Ų | 188 | 104.4 Ų | 104.4 | 88% | 0.879 | 56% | 0.562 | S | S | * | * | trans | -151.3 | 157.2 | 164.8 | -128 | 152.3 | -147.5 | 0 | 0 | 110.5 | ||||
| 89 | S | 45.8 | Very low | 60.8 | Low | 126 Ų | 126 | 112.5 Ų | 112.5 | 88% | 0.881 | 60% | 0.597 | S | S | * | * | trans | -111.9 | 57.3 | -162.2 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 90 | S | 42.1 | Very low | 59.7 | Low | 96 Ų | 96 | 109.8 Ų | 109.8 | 67% | 0.671 | 59% | 0.589 | S | S | * | * | trans | -122.4 | 143.1 | 167.3 | 49 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 91 | W | 53.7 | Low | 59.4 | Low | 138 Ų | 138 | 110 Ų | 110 | 52% | 0.523 | 58% | 0.581 | S | S | . | * | trans | -97.3 | 117.7 | 169.3 | -68.3 | 97 | 0 | 0 | 0 | 108 | R63 P66 | R63-W91 HydrophobicContact CB-CH2 3.65Å; R63-W91 HydrophobicContact CB-CZ2 3.83Å; R63-W91 HydrophobicContact CG-CH2 4.35Å; R63-W91 HydrophobicContact CG-CZ2 4.27Å; P66-W91 HydrophobicContact CB-CB 4.4Å; P66-W91 HydrophobicContact CG-CE3 4.44Å | ||
| 92 | E | 61.3 | Low | 59.2 | Low | 135 Ų | 135 | 109.6 Ų | 109.6 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | trans | -94.3 | 125 | 178.5 | -156.5 | 172.7 | -154.7 | 0 | 0 | 109.5 | L81 | L81-E92 HydrophobicContact CB-CB 4.38Å; L81-E92 WeakPolarHBondContact CB-O 3.49Å; L81-E92 HydrophobicContact CD1-CG 4.12Å; L81-E92 PolarHBondContact N-O 3.21Å | ||
| 93 | Y | 73.7 | Confident | 59.1 | Low | 56 Ų | 56 | 103.3 Ų | 103.3 | 22% | 0.22 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -130.1 | 160.5 | 172.3 | 65.6 | -86.3 | 0 | 0 | 0 | 108.5 | P71 L79 N105 | P71-Y93 HydrophobicContact CB-CD2 4.26Å; P71-Y93 HydrophobicContact CB-CE2 3.56Å; P71-Y93 HydrophobicContact CG-CD2 3.82Å; P71-Y93 HydrophobicContact CG-CE2 3.65Å; P71-Y93 HydrophobicContact CG-CG 4.48Å; L79-Y93 CarbonylContact O-C 3.57Å; L79-Y93 WeakPolarHBondContact O-CA 3.37Å; Y93-N105 WeakPolarHBondContact CE2-OD1 3.27Å; Y93-N105 PolarHBondContact OH-ND2 3.44Å; Y93-N105 PolarHBondContact OH-OD1 2.85Å |
| 94 | T | 75.8 | Confident | 60 | Low | 56 Ų | 56 | 104.4 Ų | 104.4 | 34% | 0.344 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.9 | 139.5 | 176.4 | -171.9 | 0 | 0 | 0 | 0 | 110.2 | L79 L81 | L79-T94 HydrophobicContact CB-CG2 3.93Å; L79-T94 PolarHBondContact N-O 3.38Å; L79-T94 PolarHBondContact O-N 3.2Å; L81-T94 HydrophobicContact CD1-CG2 4.49Å; L81-T94 HydrophobicContact CD2-CG2 4.33Å; L81-T94 HydrophobicContact CG-CG2 4.46Å |
| 95 | C | 78.7 | Confident | 61.4 | Low | 13 Ų | 13 | 100.5 Ų | 100.5 | 9% | 0.088 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.8 | 176 | -63.7 | 0 | 0 | 0 | 0 | 109.9 | C72 L77 H104 | C72-C95 WeakPolarHBondContact CA-SG 3.45Å; C72-C95 HydrophobicContact CB-CB 3.75Å; C72-C95 WeakPolarHBondContact CB-SG 3.04Å; C72-C95 VanDerWaalsContact SG-CA 3.53Å; C72-C95 WeakPolarHBondContact SG-CB 3.39Å; C72-C95 CovalentContact SG-SG 2.03Å; C72-C95 PolarHBondContact SG-SG 3.31Å; L77-C95 WeakPolarHBondContact O-CA 3.35Å; C95-H104 VanDerWaalsContact CB-O 3.32Å; C95-H104 WeakPolarHBondContact CB-O 3.47Å |
| 96 | T | 79.6 | Confident | 62.6 | Low | 71 Ų | 71 | 91.8 Ų | 91.8 | 44% | 0.436 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 119.2 | 170.3 | 43.4 | 0 | 0 | 0 | 0 | 109.2 | G76 L77 | G76-T96 CarbonylContact C-O 3.53Å; G76-T96 WeakPolarHBondContact CA-O 3.47Å; L77-T96 PolarHBondContact N-O 2.83Å; L77-T96 PolarHBondContact O-N 2.04Å; L77-T96 PolarHBondContact O-OG1 3.48Å |
| 97 | C | 75.6 | Confident | 63.8 | Low | 48 Ų | 48 | 83.7 Ų | 83.7 | 32% | 0.324 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -90.1 | 149.5 | -166.8 | -52.8 | 0 | 0 | 0 | 0 | 113.4 | F101 C106 | C97-F101 HydrophobicContact CB-CB 4.37Å; C97-F101 VanDerWaalsContact CB-O 3.28Å; C97-F101 WeakPolarHBondContact CB-O 3.04Å; C97-C106 WeakPolarHBondContact CA-SG 3.3Å; C97-C106 HydrophobicContact CB-CB 3.77Å; C97-C106 WeakPolarHBondContact CB-SG 3.39Å; C97-C106 WeakPolarHBondContact SG-CA 3.36Å; C97-C106 WeakPolarHBondContact SG-CB 3.24Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 3.26Å |
| 98 | S | 71.1 | Confident | 64.2 | Low | 43 Ų | 43 | 81 Ų | 81 | 30% | 0.301 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 155.2 | 168.3 | 42.9 | 0 | 0 | 0 | 0 | 111 | N74 G100 F101 | N74-S98 PolarHBondContact O-OG 2.03Å; S98-G100 PolarHBondContact O-N 2.88Å; S98-F101 PolarHBondContact O-N 2.04Å; S98-F101 VanDerWaalsContact O-N 3.14Å; S98-F101 WeakPolarHBondContact OG-CD2 3.42Å |
| 99 | Q | 63.3 | Low | 64.7 | Low | 199 Ų | 199 | 78.3 Ų | 78.3 | 93% | 0.93 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 134.2 | 175.6 | -74.8 | -173.1 | -9.9 | 0 | 0 | 110.7 | ||
| 100 | G | 57.5 | Low | 65.3 | Low | 28 Ų | 28 | 74.9 Ų | 74.9 | 29% | 0.289 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | 1.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S98 F109 T110 | S98-G100 PolarHBondContact O-N 2.88Å; G100-F109 WeakPolarHBondContact O-CA 3.48Å; G100-F109 WeakPolarHBondContact O-CD2 3.4Å; G100-T110 VanDerWaalsContact C-OG1 3.3Å; G100-T110 WeakPolarHBondContact CA-OG1 3.21Å; G100-T110 PolarHBondContact O-N 3.12Å; G100-T110 PolarHBondContact O-OG1 3.24Å |
| 101 | F | 65.8 | Low | 66 | Low | 53 Ų | 53 | 74.5 Ų | 74.5 | 23% | 0.232 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145.2 | 179.5 | -64 | -89 | 0 | 0 | 0 | 113.5 | N74 C97 S98 F108 F109 | N74-F101 HydrophobicContact CB-CD1 3.58Å; N74-F101 HydrophobicContact CB-CD2 4.21Å; N74-F101 HydrophobicContact CB-CE1 3.6Å; N74-F101 HydrophobicContact CB-CE2 4.24Å; N74-F101 HydrophobicContact CB-CG 3.9Å; N74-F101 HydrophobicContact CB-CZ 3.94Å; N74-F101 WeakPolarHBondContact ND2-CD1 3.36Å; N74-F101 WeakPolarHBondContact ND2-CE1 3.29Å; C97-F101 HydrophobicContact CB-CB 4.37Å; C97-F101 VanDerWaalsContact CB-O 3.28Å; C97-F101 WeakPolarHBondContact CB-O 3.04Å; S98-F101 PolarHBondContact O-N 2.04Å; S98-F101 VanDerWaalsContact O-N 3.14Å; S98-F101 WeakPolarHBondContact OG-CD2 3.42Å; F101-F108 CarbonylContact C-O 3.58Å; F101-F108 WeakPolarHBondContact CA-O 3.38Å; F101-F108 WeakPolarHBondContact CD1-O 3.42Å; F101-F109 HydrophobicContact CD1-CB 4.29Å; F101-F109 HydrophobicContact CD1-CD2 4.31Å; F101-F109 HydrophobicContact CE1-CB 4.08Å; F101-F109 AromaticContact CE1-CD2 3.75Å; F101-F109 HydrophobicContact CE1-CD2 3.75Å; F101-F109 HydrophobicContact CE1-CG 4.42Å; F101-F109 HydrophobicContact CE2-CD2 4.29Å; F101-F109 AromaticContact CZ-CD2 3.74Å; F101-F109 HydrophobicContact CZ-CD2 3.74Å; F101-F109 HydrophobicContact CZ-CE2 4.37Å |
| 102 | T | 61.6 | Low | 66.3 | Low | 70 Ų | 70 | 69.3 Ų | 69.3 | 43% | 0.429 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 177.4 | 178.6 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | C106 E107 F108 T110 | T102-C106 CarbonylContact O-C 3.41Å; T102-C106 WeakPolarHBondContact O-CA 3.36Å; T102-E107 PolarHBondContact O-N 3.24Å; T102-F108 PolarHBondContact N-O 3.26Å; T102-F108 PolarHBondContact O-N 2.99Å; T102-T110 HydrophobicContact CG2-CG2 3.58Å; T102-T110 WeakPolarHBondContact OG1-CG2 3.27Å |
| 103 | G | 58.4 | Low | 66.4 | Low | 35 Ų | 35 | 64 Ų | 64 | 36% | 0.361 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 110.8 | 173.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N105 E107 | G103-N105 VanDerWaalsContact C-N 3.27Å; G103-N105 PolarHBondContact O-N 3.03Å; G103-E107 VanDerWaalsContact C-OE2 3.25Å; G103-E107 VanDerWaalsContact CA-OE2 3.28Å; G103-E107 WeakPolarHBondContact CA-OE2 3.01Å |
| 104 | H | 72.6 | Confident | 65.8 | Low | 116 Ų | 116 | 65.2 Ų | 65.2 | 54% | 0.537 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -71.9 | -28.9 | -178.4 | -174.7 | 65.7 | 0 | 0 | 0 | 111.7 | C95 E107 | C95-H104 VanDerWaalsContact CB-O 3.32Å; C95-H104 WeakPolarHBondContact CB-O 3.47Å; H104-E107 PolarHBondContact N-OE1 2.84Å; H104-E107 PolarHBondContact N-OE2 3.2Å; H104-E107 VanDerWaalsContact N-OE2 3.1Å |
| 105 | N | 76.6 | Confident | 65 | Low | 39 Ų | 39 | 67.2 Ų | 67.2 | 21% | 0.209 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -117.4 | 16.2 | -178.7 | -69.2 | 0.1 | 0 | 0 | 0 | 112 | P71 L73 Y93 G103 E107 | P71-N105 WeakPolarHBondContact O-CB 3.25Å; L73-N105 PolarHBondContact N-O 3.4Å; Y93-N105 WeakPolarHBondContact CE2-OD1 3.27Å; Y93-N105 PolarHBondContact OH-ND2 3.44Å; Y93-N105 PolarHBondContact OH-OD1 2.85Å; G103-N105 VanDerWaalsContact C-N 3.27Å; G103-N105 PolarHBondContact O-N 3.03Å; N105-E107 VanDerWaalsContact CA-OE2 3.25Å; N105-E107 WeakPolarHBondContact CA-OE2 3.04Å; N105-E107 PolarHBondContact N-OE2 2.9Å; N105-E107 PolarHBondContact O-N 2.98Å |
| 106 | C | 73.3 | Confident | 64.1 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 41% | 0.412 | C | S | . | . | S | Bend | trans | 58.6 | 32.8 | -174.4 | -49.1 | 0 | 0 | 0 | 0 | 114.1 | N74 C97 T102 | N74-C106 PolarHBondContact ND2-O 3.21Å; C97-C106 WeakPolarHBondContact CA-SG 3.3Å; C97-C106 HydrophobicContact CB-CB 3.77Å; C97-C106 WeakPolarHBondContact CB-SG 3.39Å; C97-C106 WeakPolarHBondContact SG-CA 3.36Å; C97-C106 WeakPolarHBondContact SG-CB 3.24Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 3.26Å; T102-C106 CarbonylContact O-C 3.41Å; T102-C106 WeakPolarHBondContact O-CA 3.36Å |
| 107 | E | 67.1 | Low | 63.5 | Low | 72 Ų | 72 | 68.6 Ų | 68.6 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | trans | -79.6 | -22.3 | -172.4 | 67.4 | -84.5 | -155 | 0 | 0 | 114.5 | L73 T102 G103 H104 N105 | L73-E107 HydrophobicContact CD1-CB 4.07Å; T102-E107 PolarHBondContact O-N 3.24Å; G103-E107 VanDerWaalsContact C-OE2 3.25Å; G103-E107 VanDerWaalsContact CA-OE2 3.28Å; G103-E107 WeakPolarHBondContact CA-OE2 3.01Å; H104-E107 PolarHBondContact N-OE1 2.84Å; H104-E107 PolarHBondContact N-OE2 3.2Å; H104-E107 VanDerWaalsContact N-OE2 3.1Å; N105-E107 VanDerWaalsContact CA-OE2 3.25Å; N105-E107 WeakPolarHBondContact CA-OE2 3.04Å; N105-E107 PolarHBondContact N-OE2 2.9Å; N105-E107 PolarHBondContact O-N 2.98Å | ||
| 108 | F | 54.5 | Low | 63.6 | Low | 120 Ų | 120 | 66.9 Ų | 66.9 | 53% | 0.526 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.9 | -177.6 | -52.4 | -64 | 0 | 0 | 0 | 111.8 | F101 T102 | F101-F108 CarbonylContact C-O 3.58Å; F101-F108 WeakPolarHBondContact CA-O 3.38Å; F101-F108 WeakPolarHBondContact CD1-O 3.42Å; T102-F108 PolarHBondContact N-O 3.26Å; T102-F108 PolarHBondContact O-N 2.99Å |
| 109 | F | 51 | Low | 63.8 | Low | 130 Ų | 130 | 70 Ų | 70 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132 | 172 | 178 | -101.6 | 0 | 0 | 0 | 110 | G100 F101 | G100-F109 WeakPolarHBondContact O-CA 3.48Å; G100-F109 WeakPolarHBondContact O-CD2 3.4Å; F101-F109 HydrophobicContact CD1-CB 4.29Å; F101-F109 HydrophobicContact CD1-CD2 4.31Å; F101-F109 HydrophobicContact CE1-CB 4.08Å; F101-F109 AromaticContact CE1-CD2 3.75Å; F101-F109 HydrophobicContact CE1-CD2 3.75Å; F101-F109 HydrophobicContact CE1-CG 4.42Å; F101-F109 HydrophobicContact CE2-CD2 4.29Å; F101-F109 AromaticContact CZ-CD2 3.74Å; F101-F109 HydrophobicContact CZ-CD2 3.74Å; F101-F109 HydrophobicContact CZ-CE2 4.37Å |
| 110 | T | 57.7 | Low | 64.5 | Low | 55 Ų | 55 | 64 Ų | 64 | 34% | 0.337 | 37% | 0.37 | S | S | . | . | trans | -92.3 | 104.3 | -178.4 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | G100 T102 | G100-T110 VanDerWaalsContact C-OG1 3.3Å; G100-T110 WeakPolarHBondContact CA-OG1 3.21Å; G100-T110 PolarHBondContact O-N 3.12Å; G100-T110 PolarHBondContact O-OG1 3.24Å; T102-T110 HydrophobicContact CG2-CG2 3.58Å; T102-T110 WeakPolarHBondContact OG1-CG2 3.27Å | ||
| 111 | D | 58.2 | Low | 65.4 | Low | 87 Ų | 87 | 63.8 Ų | 63.8 | 47% | 0.465 | 37% | 0.367 | S | S | . | . | trans | -80.1 | 117.4 | 155.6 | -179.6 | -12.8 | 0 | 0 | 0 | 108.4 | C113 A114 | D111-C113 PolarHBondContact O-N 3.38Å; D111-C113 WeakPolarHBondContact OD1-CB 3.48Å; D111-C113 PolarHBondContact OD1-N 2.67Å; D111-A114 HydrophobicContact CB-CB 4.14Å; D111-A114 WeakPolarHBondContact O-CB 3.24Å; D111-A114 PolarHBondContact O-N 2.96Å; D111-A114 VanDerWaalsContact O-N 3.15Å | ||
| 112 | P | 59.3 | Low | 66 | Low | 30 Ų | 30 | 66.6 Ų | 66.6 | 20% | 0.195 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -13.6 | -178.1 | 30 | -36 | 0 | 0 | 0 | 113.7 | R125 A135 | P112-R125 HydrophobicContact CG-CG 4.22Å; P112-A135 HydrophobicContact CB-CB 4.11Å; P112-A135 HydrophobicContact CG-CB 4.38Å; P112-A135 WeakPolarHBondContact CG-O 3.5Å |
| 113 | C | 62.8 | Low | 66.8 | Low | 24 Ų | 24 | 64.7 Ų | 64.7 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -8.4 | 174.3 | -73.4 | 0 | 0 | 0 | 0 | 113.9 | D111 S115 S116 C123 | D111-C113 PolarHBondContact O-N 3.38Å; D111-C113 WeakPolarHBondContact OD1-CB 3.48Å; D111-C113 PolarHBondContact OD1-N 2.67Å; C113-S115 PolarHBondContact O-N 2.71Å; C113-S115 VanDerWaalsContact O-N 3.1Å; C113-S116 PolarHBondContact O-N 3.32Å; C113-C123 WeakPolarHBondContact CA-SG 2.97Å; C113-C123 HydrophobicContact CB-CB 3.71Å; C113-C123 WeakPolarHBondContact CB-SG 3.04Å; C113-C123 WeakPolarHBondContact SG-CB 3.49Å; C113-C123 CovalentContact SG-SG 2.04Å; C113-C123 PolarHBondContact SG-SG 3.03Å |
| 114 | A | 61.1 | Low | 67.6 | Low | 81 Ų | 81 | 65.5 Ų | 65.5 | 67% | 0.669 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -14.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | D111 | D111-A114 HydrophobicContact CB-CB 4.14Å; D111-A114 WeakPolarHBondContact O-CB 3.24Å; D111-A114 PolarHBondContact O-N 2.96Å; D111-A114 VanDerWaalsContact O-N 3.15Å |
| 115 | S | 59.7 | Low | 67.5 | Low | 98 Ų | 98 | 66.7 Ų | 66.7 | 69% | 0.685 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 3.4 | 173.8 | 54.8 | 0 | 0 | 0 | 0 | 114 | C113 | C113-S115 PolarHBondContact O-N 2.71Å; C113-S115 VanDerWaalsContact O-N 3.1Å |
| 116 | S | 58.9 | Low | 66.8 | Low | 94 Ų | 94 | 67 Ų | 67 | 66% | 0.657 | 38% | 0.379 | S | S | * | . | trans | 48.3 | 59.8 | -174.3 | -60.6 | 0 | 0 | 0 | 0 | 113.5 | C113 C118 | C113-S116 PolarHBondContact O-N 3.32Å; S116-C118 PolarHBondContact O-N 3.16Å | ||
| 117 | P | 68.7 | Low | 65.8 | Low | 18 Ų | 18 | 75.5 Ų | 75.5 | 12% | 0.117 | 42% | 0.419 | C | S | . | . | trans | -69.4 | -14.6 | -173.5 | 29.7 | -36.8 | 0 | 0 | 0 | 114.4 | Y136 R148 | P117-Y136 HydrophobicContact CB-CD2 4.05Å; P117-Y136 HydrophobicContact CB-CE1 4.29Å; P117-Y136 HydrophobicContact CB-CE2 3.56Å; P117-Y136 HydrophobicContact CG-CD1 4.3Å; P117-Y136 HydrophobicContact CG-CD2 3.55Å; P117-Y136 HydrophobicContact CG-CE1 4.38Å; P117-Y136 HydrophobicContact CG-CE2 3.63Å; P117-Y136 HydrophobicContact CG-CG 3.91Å; P117-R148 WeakPolarHBondContact O-CB 3.45Å; P117-R148 WeakPolarHBondContact O-CD 3.41Å; P117-R148 WeakPolarHBondContact O-CG 3.47Å | ||
| 118 | C | 77.8 | Confident | 65.4 | Low | 13 Ų | 13 | 74.8 Ų | 74.8 | 9% | 0.088 | 43% | 0.431 | C | S | . | . | trans | -92.8 | 120 | 176.1 | -43.7 | 0 | 0 | 0 | 0 | 109.9 | S116 G121 C123 C138 R148 | S116-C118 PolarHBondContact O-N 3.16Å; C118-G121 WeakPolarHBondContact CB-O 3.25Å; C118-C123 VanDerWaalsContact SG-CB 3.59Å; C118-C138 VanDerWaalsContact CA-SG 3.51Å; C118-C138 HydrophobicContact CB-CB 3.73Å; C118-C138 WeakPolarHBondContact CB-SG 3.39Å; C118-C138 WeakPolarHBondContact SG-CA 3.37Å; C118-C138 WeakPolarHBondContact SG-CB 3.36Å; C118-C138 CovalentContact SG-SG 2.03Å; C118-C138 PolarHBondContact SG-SG 2.94Å; C118-R148 CarbonylContact C-O 3.53Å | ||
| 119 | L | 74.8 | Confident | 64.8 | Low | 109 Ų | 109 | 72 Ų | 72 | 57% | 0.571 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -79.8 | -45.7 | -177 | -75.9 | 79 | 0 | 0 | 0 | 112.3 | R148 D150 | L119-R148 HydrophobicContact CD1-CB 4.09Å; L119-R148 PolarHBondContact N-O 3.45Å; L119-D150 HydrophobicContact CD1-CB 4.44Å; L119-D150 HydrophobicContact CD2-CB 4.41Å |
| 120 | H | 77.6 | Confident | 64.8 | Low | 73 Ų | 73 | 74.9 Ų | 74.9 | 34% | 0.338 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -126.9 | 52.5 | 179.9 | -48.6 | 98.9 | 0 | 0 | 0 | 110.9 | C140 T141 Y144 C149 | H120-C140 WeakPolarHBondContact O-CA 3.07Å; H120-T141 PolarHBondContact O-N 3.5Å; H120-T141 PolarHBondContact O-OG1 3.26Å; H120-T141 VanDerWaalsContact O-OG1 3.06Å; H120-Y144 HydrophobicContact CB-CD1 3.74Å; H120-Y144 HydrophobicContact CB-CD2 3.95Å; H120-Y144 HydrophobicContact CB-CE1 4.14Å; H120-Y144 HydrophobicContact CB-CE2 4.35Å; H120-Y144 HydrophobicContact CB-CG 3.64Å; H120-Y144 AromaticContact CD2-CE1 3.93Å; H120-Y144 AromaticContact CE1-CE1 3.67Å; H120-Y144 AromaticContact CG-CD1 3.6Å; H120-Y144 AromaticContact CG-CE1 3.57Å; H120-Y144 AromaticContact CG-CZ 3.98Å; H120-Y144 AromaticContact ND1-CD1 3.42Å; H120-Y144 WeakPolarHBondContact ND1-CD1 3.32Å; H120-Y144 AromaticContact ND1-CE1 3.4Å; H120-Y144 WeakPolarHBondContact ND1-CE1 3.36Å; H120-Y144 AromaticContact NE2-CE1 4Å; H120-C149 VanDerWaalsContact C-CB 3.47Å; H120-C149 HydrophobicContact CB-CB 4.13Å; H120-C149 WeakPolarHBondContact CB-O 3.39Å; H120-C149 PolarHBondContact ND1-O 2.83Å; H120-C149 VanDerWaalsContact O-CB 3.27Å; H120-C149 WeakPolarHBondContact O-CB 3.43Å |
| 121 | G | 76.6 | Confident | 63.9 | Low | 22 Ų | 22 | 82.3 Ų | 82.3 | 23% | 0.227 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 166.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C118 E139 | C118-G121 WeakPolarHBondContact CB-O 3.25Å; G121-E139 CarbonylContact C-O 3.5Å; G121-E139 WeakPolarHBondContact CA-O 3.35Å |
| 122 | N | 77.2 | Confident | 63.6 | Low | 112 Ų | 112 | 81.8 Ų | 81.8 | 60% | 0.599 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 139.4 | 176.9 | -167.5 | 27.9 | 0 | 0 | 0 | 110.6 | C138 E139 | N122-C138 WeakPolarHBondContact O-CA 3.41Å; N122-E139 PolarHBondContact N-O 2.93Å; N122-E139 PolarHBondContact O-N 2.85Å |
| 123 | C | 79.4 | Confident | 63.2 | Low | 30 Ų | 30 | 87.4 Ų | 87.4 | 20% | 0.203 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.4 | 179.5 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | C113 C118 | C113-C123 WeakPolarHBondContact CA-SG 2.97Å; C113-C123 HydrophobicContact CB-CB 3.71Å; C113-C123 WeakPolarHBondContact CB-SG 3.04Å; C113-C123 WeakPolarHBondContact SG-CB 3.49Å; C113-C123 CovalentContact SG-SG 2.04Å; C113-C123 PolarHBondContact SG-SG 3.03Å; C118-C123 VanDerWaalsContact SG-CB 3.59Å |
| 124 | S | 75.7 | Confident | 62.8 | Low | 53 Ų | 53 | 89 Ų | 89 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 149.8 | 175.5 | 57.8 | 0 | 0 | 0 | 0 | 109.9 | Y136 S137 | S124-Y136 CarbonylContact O-C 3.6Å; S124-Y136 WeakPolarHBondContact O-CA 3.42Å; S124-S137 PolarHBondContact N-O 2.7Å; S124-S137 PolarHBondContact O-N 2.82Å; S124-S137 PolarHBondContact O-OG 2.79Å; S124-S137 PolarHBondContact OG-O 3.22Å; S124-S137 PolarHBondContact OG-OG 3.03Å |
| 125 | R | 69.3 | Low | 63 | Low | 140 Ų | 140 | 88 Ų | 88 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 127 | 178 | 179 | 176.8 | 174.6 | 160.5 | -0.5 | 109.9 | P112 | P112-R125 HydrophobicContact CG-CG 4.22Å |
| 126 | S | 62 | Low | 63.5 | Low | 46 Ų | 46 | 86.3 Ų | 86.3 | 32% | 0.322 | 50% | 0.503 | S | S | . | . | trans | -79.5 | 123 | 172.4 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | A135 | S126-A135 PolarHBondContact N-O 3.45Š| ||
| 127 | E | 53.4 | Low | 64.3 | Low | 178 Ų | 178 | 84.3 Ų | 84.3 | 83% | 0.832 | 49% | 0.488 | S | S | * | . | trans | -103.8 | 62 | 173.4 | -68.2 | -154.9 | 142.7 | 0 | 0 | 111.6 | ||||
| 128 | G | 57.3 | Low | 64.9 | Low | 58 Ų | 58 | 84.8 Ų | 84.8 | 60% | 0.598 | 49% | 0.492 | S | S | * | . | trans | 170.1 | 120.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 129 | G | 42 | Very low | 65.1 | Low | 62 Ų | 62 | 90.9 Ų | 90.9 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | trans | -164 | 124 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 130 | E | 50.5 | Low | 65.5 | Low | 189 Ų | 189 | 88 Ų | 88 | 88% | 0.883 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -74.4 | 177.2 | 156 | -66.2 | -179.1 | 113 | 0 | 0 | 108.8 | G132 | E130-G132 PolarHBondContact O-N 2.87Š|
| 131 | E | 39.5 | Very low | 65.6 | Low | 211 Ų | 211 | 88.1 Ų | 88.1 | 99% | 0.986 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | 91.7 | -169.4 | -62.6 | -175 | 138.3 | 0 | 0 | 113.7 | ||
| 132 | G | 51.5 | Low | 65.5 | Low | 77 Ų | 77 | 96.7 Ų | 96.7 | 79% | 0.794 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 165.3 | -28.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | E130 | E130-G132 PolarHBondContact O-N 2.87Š|
| 133 | E | 50.8 | Low | 65.1 | Low | 147 Ų | 147 | 93 Ų | 93 | 69% | 0.687 | 54% | 0.536 | S | S | * | . | trans | -83.8 | 152 | -169.7 | -68.5 | -67.9 | 134.3 | 0 | 0 | 114.8 | ||||
| 134 | P | 54.3 | Low | 64.9 | Low | 57 Ų | 57 | 95.3 Ų | 95.3 | 37% | 0.37 | 54% | 0.541 | S | S | . | . | trans | -73.3 | 142.4 | 174.8 | 30.5 | -34.2 | 0 | 0 | 0 | 112.8 | Y136 | P134-Y136 HydrophobicContact CB-CD1 4.46Å; P134-Y136 HydrophobicContact CB-CE1 4.25Å; P134-Y136 PolarHBondContact O-N 2.88Å; P134-Y136 VanDerWaalsContact O-N 3.08Å | ||
| 135 | A | 65.4 | Low | 65 | Low | 60 Ų | 60 | 97.2 Ų | 97.2 | 50% | 0.496 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -75 | 7.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P112 S126 | P112-A135 HydrophobicContact CB-CB 4.11Å; P112-A135 HydrophobicContact CG-CB 4.38Å; P112-A135 WeakPolarHBondContact CG-O 3.5Å; S126-A135 PolarHBondContact N-O 3.45Å |
| 136 | Y | 70.3 | Confident | 65.2 | Low | 64 Ų | 64 | 92 Ų | 92 | 25% | 0.251 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.4 | -179.4 | 65.8 | -87.2 | 0 | 0 | 0 | 110.4 | P117 S124 P134 | P117-Y136 HydrophobicContact CB-CD2 4.05Å; P117-Y136 HydrophobicContact CB-CE1 4.29Å; P117-Y136 HydrophobicContact CB-CE2 3.56Å; P117-Y136 HydrophobicContact CG-CD1 4.3Å; P117-Y136 HydrophobicContact CG-CD2 3.55Å; P117-Y136 HydrophobicContact CG-CE1 4.38Å; P117-Y136 HydrophobicContact CG-CE2 3.63Å; P117-Y136 HydrophobicContact CG-CG 3.91Å; S124-Y136 CarbonylContact O-C 3.6Å; S124-Y136 WeakPolarHBondContact O-CA 3.42Å; P134-Y136 HydrophobicContact CB-CD1 4.46Å; P134-Y136 HydrophobicContact CB-CE1 4.25Å; P134-Y136 PolarHBondContact O-N 2.88Å; P134-Y136 VanDerWaalsContact O-N 3.08Å |
| 137 | S | 76.9 | Confident | 65.7 | Low | 51 Ų | 51 | 97.5 Ų | 97.5 | 36% | 0.357 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.7 | 178 | 39.7 | 0 | 0 | 0 | 0 | 110.3 | S124 | S124-S137 PolarHBondContact N-O 2.7Å; S124-S137 PolarHBondContact O-N 2.82Å; S124-S137 PolarHBondContact O-OG 2.79Å; S124-S137 PolarHBondContact OG-O 3.22Å; S124-S137 PolarHBondContact OG-OG 3.03Å |
| 138 | C | 80.6 | Confident | 67 | Low | 29 Ų | 29 | 94.9 Ų | 94.9 | 20% | 0.196 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127 | -178.4 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | C118 N122 E147 | C118-C138 VanDerWaalsContact CA-SG 3.51Å; C118-C138 HydrophobicContact CB-CB 3.73Å; C118-C138 WeakPolarHBondContact CB-SG 3.39Å; C118-C138 WeakPolarHBondContact SG-CA 3.37Å; C118-C138 WeakPolarHBondContact SG-CB 3.36Å; C118-C138 CovalentContact SG-SG 2.03Å; C118-C138 PolarHBondContact SG-SG 2.94Å; N122-C138 WeakPolarHBondContact O-CA 3.41Å; C138-E147 WeakPolarHBondContact CB-O 3.01Å; C138-E147 PolarHBondContact SG-O 3.41Å |
| 139 | E | 82.9 | Confident | 68.1 | Low | 141 Ų | 141 | 92.1 Ų | 92.1 | 66% | 0.659 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 102.4 | 174.4 | -174.7 | 174.9 | -145.1 | 0 | 0 | 109.2 | G121 N122 | G121-E139 CarbonylContact C-O 3.5Å; G121-E139 WeakPolarHBondContact CA-O 3.35Å; N122-E139 PolarHBondContact N-O 2.93Å; N122-E139 PolarHBondContact O-N 2.85Å |
| 140 | C | 82.6 | Confident | 69.9 | Low | 47 Ų | 47 | 92.1 Ų | 92.1 | 32% | 0.318 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 144.6 | -168.8 | -54.3 | 0 | 0 | 0 | 0 | 114.2 | H120 Y144 C149 | H120-C140 WeakPolarHBondContact O-CA 3.07Å; C140-Y144 VanDerWaalsContact CB-O 3.3Å; C140-Y144 WeakPolarHBondContact CB-O 3.01Å; C140-C149 WeakPolarHBondContact CA-SG 3.02Å; C140-C149 HydrophobicContact CB-CB 3.69Å; C140-C149 WeakPolarHBondContact CB-SG 3.34Å; C140-C149 WeakPolarHBondContact SG-CA 3.32Å; C140-C149 WeakPolarHBondContact SG-CB 3.42Å; C140-C149 CovalentContact SG-SG 2.03Å; C140-C149 PolarHBondContact SG-SG 2.83Å |
| 141 | T | 79.1 | Confident | 71.3 | Confident | 77 Ų | 77 | 88.2 Ų | 88.2 | 47% | 0.472 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 149.3 | 172.3 | 54.5 | 0 | 0 | 0 | 0 | 111.6 | H120 G143 Y144 | H120-T141 PolarHBondContact O-N 3.5Å; H120-T141 PolarHBondContact O-OG1 3.26Å; H120-T141 VanDerWaalsContact O-OG1 3.06Å; T141-G143 PolarHBondContact O-N 3.21Å; T141-Y144 PolarHBondContact O-N 3.3Å |
| 142 | E | 74.6 | Confident | 72.7 | Confident | 201 Ų | 201 | 83.1 Ų | 83.1 | 94% | 0.939 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | 130.1 | -179.1 | -67.7 | -170.2 | 144.2 | 0 | 0 | 112.6 | ||
| 143 | G | 68.6 | Low | 73.2 | Confident | 34 Ų | 34 | 83.9 Ų | 83.9 | 35% | 0.351 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -0.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | T141 I152 L153 | T141-G143 PolarHBondContact O-N 3.21Å; G143-I152 WeakPolarHBondContact O-CA 3.46Å; G143-L153 PolarHBondContact O-N 2.8Å |
| 144 | Y | 76.5 | Confident | 73.3 | Confident | 80 Ų | 80 | 84.3 Ų | 84.3 | 31% | 0.314 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.2 | 175.8 | -65.8 | -96.5 | 0 | 0 | 0 | 113.1 | H120 C140 T141 Q151 I152 | H120-Y144 HydrophobicContact CB-CD1 3.74Å; H120-Y144 HydrophobicContact CB-CD2 3.95Å; H120-Y144 HydrophobicContact CB-CE1 4.14Å; H120-Y144 HydrophobicContact CB-CE2 4.35Å; H120-Y144 HydrophobicContact CB-CG 3.64Å; H120-Y144 AromaticContact CD2-CE1 3.93Å; H120-Y144 AromaticContact CE1-CE1 3.67Å; H120-Y144 AromaticContact CG-CD1 3.6Å; H120-Y144 AromaticContact CG-CE1 3.57Å; H120-Y144 AromaticContact CG-CZ 3.98Å; H120-Y144 AromaticContact ND1-CD1 3.42Å; H120-Y144 WeakPolarHBondContact ND1-CD1 3.32Å; H120-Y144 AromaticContact ND1-CE1 3.4Å; H120-Y144 WeakPolarHBondContact ND1-CE1 3.36Å; H120-Y144 AromaticContact NE2-CE1 4Å; C140-Y144 VanDerWaalsContact CB-O 3.3Å; C140-Y144 WeakPolarHBondContact CB-O 3.01Å; T141-Y144 PolarHBondContact O-N 3.3Å; Y144-Q151 CarbonylContact C-O 3.53Å; Y144-Q151 WeakPolarHBondContact CA-O 3.01Å; Y144-Q151 WeakPolarHBondContact CD1-O 3.46Å; Y144-I152 HydrophobicContact CD1-CG1 3.87Å; Y144-I152 HydrophobicContact CE1-CD1 4.09Å; Y144-I152 HydrophobicContact CE1-CG1 3.54Å |
| 145 | E | 77.3 | Confident | 73.7 | Confident | 93 Ų | 93 | 88.6 Ų | 88.6 | 44% | 0.435 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | -178.1 | 177 | 74.5 | 177 | 151.2 | 0 | 0 | 113.1 | C149 D150 Q151 L153 | E145-C149 CarbonylContact O-C 3.54Å; E145-C149 VanDerWaalsContact O-CA 3.31Å; E145-C149 WeakPolarHBondContact O-CA 3.45Å; E145-D150 PolarHBondContact O-N 2.88Å; E145-Q151 HydrophobicContact CG-CB 3.92Å; E145-Q151 PolarHBondContact N-O 3.34Å; E145-Q151 WeakPolarHBondContact O-CB 3.21Å; E145-Q151 PolarHBondContact O-N 3.33Å; E145-L153 HydrophobicContact CB-CD1 4.08Å; E145-L153 VanDerWaalsContact CD-CD1 3.41Å; E145-L153 HydrophobicContact CG-CD1 3.95Å; E145-L153 WeakPolarHBondContact OE1-CD1 3.48Å |
| 146 | G | 73.1 | Confident | 72.3 | Confident | 29 Ų | 29 | 93.8 Ų | 93.8 | 30% | 0.299 | 48% | 0.483 | S | S | . | . | S | Bend | trans | 90.9 | 161.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R148 C149 | G146-R148 PolarHBondContact O-N 3.23Å; G146-C149 PolarHBondContact O-N 3.26Å |
| 147 | E | 73.2 | Confident | 70.8 | Confident | 163 Ų | 163 | 96 Ų | 96 | 76% | 0.762 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -17.6 | -172.1 | -61.7 | -175.6 | 137.7 | 0 | 0 | 114.9 | C138 | C138-E147 WeakPolarHBondContact CB-O 3.01Å; C138-E147 PolarHBondContact SG-O 3.41Å |
| 148 | R | 79.8 | Confident | 69.1 | Low | 122 Ų | 122 | 99.9 Ų | 99.9 | 46% | 0.46 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 9.9 | 175 | -62.2 | -174.8 | -54.8 | -144 | -2.6 | 113.4 | P117 C118 L119 G146 D150 | P117-R148 WeakPolarHBondContact O-CB 3.45Å; P117-R148 WeakPolarHBondContact O-CD 3.41Å; P117-R148 WeakPolarHBondContact O-CG 3.47Å; C118-R148 CarbonylContact C-O 3.53Å; L119-R148 HydrophobicContact CD1-CB 4.09Å; L119-R148 PolarHBondContact N-O 3.45Å; G146-R148 PolarHBondContact O-N 3.23Å; R148-D150 VanDerWaalsContact C-N 3.28Å; R148-D150 IonicContact CZ-OD2 3.05Å; R148-D150 IonicContact NE-OD2 3.63Å; R148-D150 PolarHBondContact NE-OD2 3.21Å; R148-D150 VanDerWaalsContact NE-OD2 3.11Å; R148-D150 IonicContact NH2-OD2 2.8Å; R148-D150 PolarHBondContact NH2-OD2 3.49Å; R148-D150 PolarHBondContact O-N 3.32Å |
| 149 | C | 80.7 | Confident | 66.8 | Low | 0 Ų | 0 | 103.1 Ų | 103.1 | 0% | 0 | 56% | 0.558 | C | S | . | * | S | Bend | trans | 55.9 | 41.5 | -174.9 | -43.9 | 0 | 0 | 0 | 0 | 112.6 | H120 C140 E145 G146 | H120-C149 VanDerWaalsContact C-CB 3.47Å; H120-C149 HydrophobicContact CB-CB 4.13Å; H120-C149 WeakPolarHBondContact CB-O 3.39Å; H120-C149 PolarHBondContact ND1-O 2.83Å; H120-C149 VanDerWaalsContact O-CB 3.27Å; H120-C149 WeakPolarHBondContact O-CB 3.43Å; C140-C149 WeakPolarHBondContact CA-SG 3.02Å; C140-C149 HydrophobicContact CB-CB 3.69Å; C140-C149 WeakPolarHBondContact CB-SG 3.34Å; C140-C149 WeakPolarHBondContact SG-CA 3.32Å; C140-C149 WeakPolarHBondContact SG-CB 3.42Å; C140-C149 CovalentContact SG-SG 2.03Å; C140-C149 PolarHBondContact SG-SG 2.83Å; E145-C149 CarbonylContact O-C 3.54Å; E145-C149 VanDerWaalsContact O-CA 3.31Å; E145-C149 WeakPolarHBondContact O-CA 3.45Å; G146-C149 PolarHBondContact O-N 3.26Å |
| 150 | D | 80.6 | Confident | 64.5 | Low | 62 Ų | 62 | 101 Ų | 101 | 33% | 0.332 | 57% | 0.565 | S | S | . | * | trans | -101.5 | -0.3 | -178.6 | 50.9 | 2.5 | 0 | 0 | 0 | 113.8 | L119 E145 R148 | L119-D150 HydrophobicContact CD1-CB 4.44Å; L119-D150 HydrophobicContact CD2-CB 4.41Å; E145-D150 PolarHBondContact O-N 2.88Å; R148-D150 VanDerWaalsContact C-N 3.28Å; R148-D150 IonicContact CZ-OD2 3.05Å; R148-D150 IonicContact NE-OD2 3.63Å; R148-D150 PolarHBondContact NE-OD2 3.21Å; R148-D150 VanDerWaalsContact NE-OD2 3.11Å; R148-D150 IonicContact NH2-OD2 2.8Å; R148-D150 PolarHBondContact NH2-OD2 3.49Å; R148-D150 PolarHBondContact O-N 3.32Å | ||
| 151 | Q | 78.8 | Confident | 62.6 | Low | 107 Ų | 107 | 105.2 Ų | 105.2 | 50% | 0.5 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109 | 149.2 | 178.1 | -50.8 | -179.7 | 21.2 | 0 | 0 | 110.3 | Y144 E145 | Y144-Q151 CarbonylContact C-O 3.53Å; Y144-Q151 WeakPolarHBondContact CA-O 3.01Å; Y144-Q151 WeakPolarHBondContact CD1-O 3.46Å; E145-Q151 HydrophobicContact CG-CB 3.92Å; E145-Q151 PolarHBondContact N-O 3.34Å; E145-Q151 WeakPolarHBondContact O-CB 3.21Å; E145-Q151 PolarHBondContact O-N 3.33Å |
| 152 | I | 68.6 | Low | 60.3 | Low | 104 Ų | 104 | 113.5 Ų | 113.5 | 53% | 0.533 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110 | 127.9 | -176.9 | -63.7 | 173.2 | 0 | 0 | 0 | 110.2 | G143 Y144 L154 | G143-I152 WeakPolarHBondContact O-CA 3.46Å; Y144-I152 HydrophobicContact CD1-CG1 3.87Å; Y144-I152 HydrophobicContact CE1-CD1 4.09Å; Y144-I152 HydrophobicContact CE1-CG1 3.54Å; I152-L154 HydrophobicContact CG2-CG 4.28Å; I152-L154 PolarHBondContact O-N 3.35Å |
| 153 | L | 62.9 | Low | 58.1 | Low | 94 Ų | 94 | 106.9 Ų | 106.9 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | trans | -77.2 | 90.5 | -176.5 | -148.3 | 91.2 | 0 | 0 | 0 | 111.5 | G143 E145 D155 | G143-L153 PolarHBondContact O-N 2.8Å; E145-L153 HydrophobicContact CB-CD1 4.08Å; E145-L153 VanDerWaalsContact CD-CD1 3.41Å; E145-L153 HydrophobicContact CG-CD1 3.95Å; E145-L153 WeakPolarHBondContact OE1-CD1 3.48Å; L153-D155 PolarHBondContact O-N 3.41Å | ||
| 154 | L | 52.8 | Low | 57.2 | Low | 156 Ų | 156 | 111.5 Ų | 111.5 | 82% | 0.817 | 62% | 0.617 | S | S | * | * | trans | -92.7 | 51.6 | -174.5 | -90.2 | 164.6 | 0 | 0 | 0 | 114.1 | I152 | I152-L154 HydrophobicContact CG2-CG 4.28Å; I152-L154 PolarHBondContact O-N 3.35Å | ||
| 155 | D | 62.4 | Low | 54.7 | Low | 146 Ų | 146 | 112.4 Ų | 112.4 | 78% | 0.781 | 64% | 0.641 | S | S | * | * | trans | -153.3 | 103.8 | 173.4 | -120.3 | -31 | 0 | 0 | 0 | 114.4 | L153 | L153-D155 PolarHBondContact O-N 3.41Š| ||
| 156 | L | 35.8 | Very low | 52.5 | Low | 169 Ų | 169 | 114.8 Ų | 114.8 | 89% | 0.885 | 66% | 0.662 | S | S | * | * | trans | -147.3 | 151.9 | 159.6 | -85 | -178.1 | 0 | 0 | 0 | 110.3 | ||||
| 157 | P | 38.9 | Very low | 50.5 | Low | 110 Ų | 110 | 118.7 Ų | 118.7 | 71% | 0.714 | 68% | 0.682 | S | S | * | * | trans | -92.7 | 163.2 | -152.3 | -7 | 27.1 | 0 | 0 | 0 | 115.6 | ||||
| 158 | P | 40.8 | Very low | 48.4 | Very low | 133 Ų | 133 | 116.7 Ų | 116.7 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | trans | -77.2 | 140.2 | -179.5 | 31.5 | -35.4 | 0 | 0 | 0 | 113.4 | ||||
| 159 | A | 32.8 | Very low | 45.9 | Very low | 97 Ų | 97 | 115.6 Ų | 115.6 | 80% | 0.802 | 70% | 0.703 | S | S | * | * | trans | -136.1 | 121 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 160 | A | 35.4 | Very low | 43.7 | Very low | 96 Ų | 96 | 122 Ų | 122 | 79% | 0.793 | 75% | 0.745 | S | S | * | * | trans | 27.4 | 100.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 161 | D | 42.4 | Very low | 41.2 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | 23 | 130.7 | 116.6 | -170.3 | 20.5 | 0 | 0 | 0 | 119.5 | |||||
| 162 | W | 30.4 | Very low | 38.7 | Very low | 251 Ų | 251 | 130.2 Ų | 130.2 | 95% | 0.951 | 79% | 0.785 | S | S | * | * | trans | -178.8 | 106.6 | 130.1 | -103.9 | 100.1 | 0 | 0 | 0 | 112.7 | ||||
| 163 | G | 29 | Very low | 36.8 | Very low | 62 Ų | 62 | 128.9 Ų | 128.9 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | trans | 101.1 | 161.2 | 145.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 164 | P | 48.3 | Very low | 35.4 | Very low | 132 Ų | 132 | 130.4 Ų | 130.4 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | -133.8 | 155.7 | -151.8 | 40.1 | -22.7 | 0 | 0 | 0 | 117.5 | ||||
| 165 | A | 24.1 | Very low | 34.4 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -171.9 | 126.1 | 141.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 166 | T | 32 | Very low | 32.8 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -110.3 | 132.8 | 167.6 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 167 | P | 30.3 | Very low | 32.4 | Very low | 112 Ų | 112 | 126.5 Ų | 126.5 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -130.2 | 113.2 | 152.7 | 31.8 | -16.2 | 0 | 0 | 0 | 113.3 | ||||
| 168 | S | 29.6 | Very low | 32 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | 30.5 | 123.5 | 142.1 | 59.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 169 | A | 28 | Very low | 31.2 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -131.9 | 159 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 170 | P | 32.8 | Very low | 31.1 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -99.5 | 172.9 | -150.7 | 38 | -37.7 | 0 | 0 | 0 | 117.9 | ||||
| 171 | E | 28.3 | Very low | 30.6 | Very low | 177 Ų | 177 | 130.5 Ų | 130.5 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | trans | -82.9 | 152.5 | -178.3 | -178.5 | -161.6 | 141.7 | 0 | 0 | 114.1 | ||||
| 172 | L | 28.2 | Very low | 29.9 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | trans | -154.2 | 117.1 | 136.8 | -163.6 | 57.8 | 0 | 0 | 0 | 115.4 | ||||
| 173 | A | 28.6 | Very low | 29.8 | Very low | 77 Ų | 77 | 123.9 Ų | 123.9 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | trans | 51.7 | 121.6 | 148 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 174 | T | 31.8 | Very low | 29.8 | Very low | 125 Ų | 125 | 127 Ų | 127 | 77% | 0.767 | 82% | 0.816 | S | S | * | * | trans | -110.2 | 160 | 150.8 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 175 | P | 33 | Very low | 29.2 | Very low | 131 Ų | 131 | 126.3 Ų | 126.3 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | -77.8 | 163 | 176 | 31.9 | -35.2 | 0 | 0 | 0 | 113.3 | ||||
| 176 | V | 28.2 | Very low | 29.9 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 76% | 0.758 | 81% | 0.811 | S | S | * | * | trans | -127 | 139.1 | -164.4 | 174 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 177 | T | 27.7 | Very low | 29.7 | Very low | 134 Ų | 134 | 129.2 Ų | 129.2 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | 169 | 154.8 | 139 | 28 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 178 | S | 29.6 | Very low | 29.5 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | cis | -171.8 | 135.3 | -36.5 | 48.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 179 | T | 25.4 | Very low | 30 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -127 | 141.7 | -177.6 | 47.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 180 | T | 29.2 | Very low | 30 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | -132.5 | 101.7 | 176.3 | 31.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 181 | T | 26.2 | Very low | 29.7 | Very low | 139 Ų | 139 | 132.2 Ų | 132.2 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | 13.1 | 131.1 | 146 | 56 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 182 | A | 28 | Very low | 29.9 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | trans | -150 | 154.4 | 147.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 183 | T | 27.6 | Very low | 30.2 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -109.7 | 157 | -159.2 | -23.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 184 | T | 28.5 | Very low | 30.2 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -70.6 | 164.7 | 159.5 | 39 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 185 | P | 36.9 | Very low | 30.1 | Very low | 118 Ų | 118 | 130 Ų | 130 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | cis | -146.7 | -139 | 45.1 | 37.7 | -11.3 | 0 | 0 | 0 | 114.5 | ||||
| 186 | P | 38.3 | Very low | 29.9 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | -115.6 | -168.8 | -71.6 | 32.4 | -13 | 0 | 0 | 0 | 115.2 | |||||
| 187 | Q | 27.3 | Very low | 30.2 | Very low | 178 Ų | 178 | 131.1 Ų | 131.1 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -83.2 | 167.3 | 176.8 | -64.3 | -176.1 | -22.8 | 0 | 0 | 114.5 | ||||
| 188 | Q | 26.2 | Very low | 30.6 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | 147.8 | 163.9 | 88.8 | -179.5 | 167.7 | 26.7 | 0 | 0 | 109.2 | |||||
| 189 | P | 41.4 | Very low | 30.7 | Very low | 98 Ų | 98 | 129.3 Ų | 129.3 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | cis | -129.2 | -158.5 | -22.5 | 36.2 | -14.1 | 0 | 0 | 0 | 115.2 | ||||
| 190 | T | 26.4 | Very low | 31.4 | Very low | 122 Ų | 122 | 128.5 Ų | 128.5 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | 75.8 | 150.5 | 153 | 38.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 191 | T | 28 | Very low | 32 | Very low | 133 Ų | 133 | 126 Ų | 126 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | cis | -148.5 | 177.7 | 9.7 | -15.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 192 | V | 31.8 | Very low | 32.9 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -116.1 | 147.2 | -179.7 | 175.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 193 | P | 33.9 | Very low | 34.2 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -114.3 | 166.4 | 158.4 | 37.3 | -27.2 | 0 | 0 | 0 | 113.9 | ||||
| 194 | A | 28.8 | Very low | 35.8 | Very low | 103 Ų | 103 | 125.1 Ų | 125.1 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -109.4 | 172.6 | -160.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 195 | T | 29.7 | Very low | 37.5 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | trans | -76.4 | 147.4 | -179.5 | 34.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 196 | T | 29.9 | Very low | 39.1 | Very low | 136 Ų | 136 | 120.7 Ų | 120.7 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | trans | -140.4 | 146.2 | 157 | 46.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 197 | T | 33.7 | Very low | 40.5 | Very low | 142 Ų | 142 | 122.7 Ų | 122.7 | 87% | 0.871 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 122.7 | -175.2 | -29.8 | 0 | 0 | 0 | 0 | 111 | ||
| 198 | P | 36.5 | Very low | 42.5 | Very low | 118 Ų | 118 | 117.8 Ų | 117.8 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 163.3 | 173.9 | -10.1 | 27.8 | 0 | 0 | 0 | 113.5 | ||
| 199 | A | 30.3 | Very low | 44.7 | Very low | 83 Ų | 83 | 114 Ų | 114 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 160.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 200 | P | 40 | Very low | 45.7 | Very low | 123 Ų | 123 | 115.9 Ų | 115.9 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 131.5 | -178.7 | 22.3 | -34.6 | 0 | 0 | 0 | 112.3 | ||
| 201 | P | 42.3 | Very low | 47.4 | Very low | 83 Ų | 83 | 114.2 Ų | 114.2 | 54% | 0.539 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -75.4 | 136.3 | -174.4 | 29.5 | -34.8 | 0 | 0 | 0 | 112.3 | W287 | P201-W287 HydrophobicContact CG-CH2 3.94Å; P201-W287 HydrophobicContact CG-CZ2 4.34Å; P201-W287 HydrophobicContact CG-CZ3 4.14Å |
| 202 | T | 45.8 | Very low | 49.4 | Very low | 135 Ų | 135 | 109.3 Ų | 109.3 | 83% | 0.828 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 141.4 | 162.4 | 25.6 | 0 | 0 | 0 | 0 | 110.6 | Q204 | T202-Q204 PolarHBondContact O-N 2.03Š|
| 203 | L | 54.5 | Low | 51.3 | Low | 87 Ų | 87 | 109.7 Ų | 109.7 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 129.2 | 177.4 | -74.9 | 155 | 0 | 0 | 0 | 111.1 | P265 Q290 | L203-P265 HydrophobicContact CD2-CB 3.69Å; L203-P265 HydrophobicContact CD2-CG 3.52Å; L203-P265 HydrophobicContact CG-CG 4.43Å; L203-Q290 HydrophobicContact CD2-CB 4.23Å |
| 204 | Q | 61 | Low | 53.4 | Low | 147 Ų | 147 | 106.9 Ų | 106.9 | 69% | 0.687 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 124.7 | 168.5 | -68.3 | -160 | -11 | 0 | 0 | 110.1 | T202 Q290 | T202-Q204 PolarHBondContact O-N 2.03Å; Q204-Q290 PolarHBondContact O-N 2.95Å |
| 205 | P | 64.9 | Low | 55.9 | Low | 118 Ų | 118 | 104.6 Ų | 104.6 | 77% | 0.766 | 62% | 0.618 | S | S | * | * | B | Isolated β-bridge | trans | -73.2 | 135.8 | 175.3 | 30.6 | -33.7 | 0 | 0 | 0 | 110.1 | ||
| 206 | W | 70.3 | Confident | 58.2 | Low | 34 Ų | 34 | 101.7 Ų | 101.7 | 13% | 0.129 | 60% | 0.599 | C | S | . | * | trans | -110.2 | 143 | 176.9 | 173.8 | 93.9 | 0 | 0 | 0 | 111.9 | P208 L214 A254 L289 Q290 A291 V296 | W206-P208 HydrophobicContact CH2-CB 3.68Å; W206-P208 HydrophobicContact CH2-CG 4.28Å; W206-P208 HydrophobicContact CZ2-CB 4.02Å; W206-P208 HydrophobicContact CZ3-CB 4.3Å; W206-P208 HydrophobicContact CZ3-CG 4.44Å; W206-L214 HydrophobicContact CH2-CD1 3.7Å; W206-L214 HydrophobicContact CH2-CD2 4.05Å; W206-L214 HydrophobicContact CZ2-CD1 4.32Å; W206-A254 HydrophobicContact CZ2-CB 4.46Å; W206-L289 HydrophobicContact CB-CB 3.68Å; W206-L289 HydrophobicContact CB-CD1 4.16Å; W206-L289 HydrophobicContact CG-CB 4.21Å; W206-L289 HydrophobicContact CG-CD1 4.08Å; W206-Q290 PolarHBondContact N-O 2.84Å; W206-A291 HydrophobicContact CE3-CB 4.31Å; W206-V296 HydrophobicContact CD2-CB 4.38Å; W206-V296 HydrophobicContact CD2-CG1 4.09Å; W206-V296 HydrophobicContact CD2-CG2 4.23Å; W206-V296 HydrophobicContact CE3-CB 4.4Å; W206-V296 HydrophobicContact CE3-CG1 4.33Å; W206-V296 HydrophobicContact CE3-CG2 3.75Å; W206-V296 HydrophobicContact CH2-CG1 4.25Å; W206-V296 HydrophobicContact CH2-CG2 4.46Å; W206-V296 HydrophobicContact CZ2-CG1 4.03Å; W206-V296 HydrophobicContact CZ3-CG1 4.4Å; W206-V296 HydrophobicContact CZ3-CG2 3.88Å | ||
| 207 | Q | 68.1 | Low | 60.6 | Low | 167 Ų | 167 | 96.1 Ų | 96.1 | 78% | 0.78 | 57% | 0.565 | S | S | * | * | trans | -130 | 141.5 | 170.1 | -63.9 | -178.2 | -3.3 | 0 | 0 | 107.8 | ||||
| 208 | P | 69.5 | Low | 62.6 | Low | 74 Ų | 74 | 96.8 Ų | 96.8 | 48% | 0.481 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 136.3 | 175.7 | 26.9 | -33.2 | 0 | 0 | 0 | 110.2 | W206 | W206-P208 HydrophobicContact CH2-CB 3.68Å; W206-P208 HydrophobicContact CH2-CG 4.28Å; W206-P208 HydrophobicContact CZ2-CB 4.02Å; W206-P208 HydrophobicContact CZ3-CB 4.3Å; W206-P208 HydrophobicContact CZ3-CG 4.44Å |
| 209 | K | 72.7 | Confident | 64.5 | Low | 97 Ų | 97 | 93.6 Ų | 93.6 | 42% | 0.422 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 149.3 | 172 | -51.2 | 166.7 | -158.4 | 130.2 | 0 | 109.1 | G211 Q212 D299 | K209-G211 PolarHBondContact O-N 2.74Å; K209-Q212 HydrophobicContact CB-CB 4.06Å; K209-Q212 VanDerWaalsContact O-CB 3.29Å; K209-Q212 WeakPolarHBondContact O-CB 3.32Å; K209-Q212 PolarHBondContact O-N 3.35Å; K209-D299 IonicContact NZ-OD1 3.26Å; K209-D299 PolarHBondContact NZ-OD1 3.04Å; K209-D299 IonicContact NZ-OD2 2.94Å; K209-D299 PolarHBondContact NZ-OD2 3.45Å |
| 210 | P | 62.5 | Low | 66.6 | Low | 138 Ų | 138 | 92.5 Ų | 92.5 | 90% | 0.896 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 128.8 | 170.9 | -24.9 | 34.6 | 0 | 0 | 0 | 111.2 | Q212 | P210-Q212 VanDerWaalsContact C-N 3.28Å; P210-Q212 PolarHBondContact O-N 3.27Å |
| 211 | G | 60.3 | Low | 67.8 | Low | 86 Ų | 86 | 89.8 Ų | 89.8 | 89% | 0.887 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.9 | -3 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | K209 R213 | K209-G211 PolarHBondContact O-N 2.74Å; G211-R213 PolarHBondContact O-N 3.35Å |
| 212 | Q | 71.8 | Confident | 68.9 | Low | 31 Ų | 31 | 93.4 Ų | 93.4 | 15% | 0.145 | 52% | 0.517 | C | S | . | . | trans | -68.9 | 127.9 | 178.3 | 176.8 | 159.1 | 15.7 | 0 | 0 | 111.7 | K209 P210 D299 | K209-Q212 HydrophobicContact CB-CB 4.06Å; K209-Q212 VanDerWaalsContact O-CB 3.29Å; K209-Q212 WeakPolarHBondContact O-CB 3.32Å; K209-Q212 PolarHBondContact O-N 3.35Å; P210-Q212 VanDerWaalsContact C-N 3.28Å; P210-Q212 PolarHBondContact O-N 3.27Å; Q212-D299 PolarHBondContact NE2-OD1 2.91Å | ||
| 213 | R | 71.6 | Confident | 70 | Confident | 140 Ų | 140 | 93.5 Ų | 93.5 | 53% | 0.528 | 50% | 0.502 | S | S | . | . | trans | -64.4 | 133.8 | 171.5 | -67.1 | 174.6 | 176.5 | 165.3 | -3.4 | 110.1 | G211 E251 T253 A254 | G211-R213 PolarHBondContact O-N 3.35Å; R213-E251 PolarHBondContact NH1-O 3.24Å; R213-T253 HydrophobicContact CB-CG2 3.94Å; R213-T253 VanDerWaalsContact CB-OG1 3.31Å; R213-T253 WeakPolarHBondContact CB-OG1 3Å; R213-T253 WeakPolarHBondContact CD-OG1 3.45Å; R213-T253 WeakPolarHBondContact O-CA 3.45Å; R213-A254 PolarHBondContact O-N 3.46Å | ||
| 214 | L | 77.3 | Confident | 70.8 | Confident | 64 Ų | 64 | 91.5 Ų | 91.5 | 34% | 0.335 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 111 | -177.7 | -175.5 | 64.8 | 0 | 0 | 0 | 110.7 | W206 V216 A254 K256 | W206-L214 HydrophobicContact CH2-CD1 3.7Å; W206-L214 HydrophobicContact CH2-CD2 4.05Å; W206-L214 HydrophobicContact CZ2-CD1 4.32Å; L214-V216 HydrophobicContact CD2-CG2 4.07Å; L214-V216 HydrophobicContact CG-CG2 3.99Å; L214-A254 WeakPolarHBondContact CA-O 3.05Å; L214-A254 HydrophobicContact CD1-CB 4.04Å; L214-K256 HydrophobicContact CD1-CB 4.05Å |
| 215 | L | 80.2 | Confident | 71.2 | Confident | 56 Ų | 56 | 88.9 Ų | 88.9 | 29% | 0.293 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 120.1 | 169.5 | -176.9 | 63.9 | 0 | 0 | 0 | 108.7 | V217 L247 V249 T253 A254 V255 K256 | L215-V217 HydrophobicContact CG-CG2 4.32Å; L215-L247 HydrophobicContact CD2-CD1 4.38Å; L215-V249 HydrophobicContact CD2-CG2 4.17Å; L215-T253 HydrophobicContact CB-CG2 3.93Å; L215-A254 PolarHBondContact N-O 3.48Å; L215-V255 HydrophobicContact CB-CG2 4.4Å; L215-V255 HydrophobicContact CD2-CG2 4.43Å; L215-V255 CarbonylContact O-C 3.6Å; L215-V255 WeakPolarHBondContact O-CA 3.35Å; L215-K256 PolarHBondContact O-N 3.12Å |
| 216 | V | 78.8 | Confident | 71.2 | Confident | 76 Ų | 76 | 92.3 Ų | 92.3 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125.7 | 179.9 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | L214 L258 | L214-V216 HydrophobicContact CD2-CG2 4.07Å; L214-V216 HydrophobicContact CG-CG2 3.99Å; V216-L258 HydrophobicContact CG1-CD1 3.59Å; V216-L258 HydrophobicContact CG1-CD2 4.11Å; V216-L258 HydrophobicContact CG1-CG 3.75Å |
| 217 | V | 80.2 | Confident | 70.8 | Confident | 19 Ų | 19 | 91.1 Ų | 91.1 | 12% | 0.115 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 128.7 | -175.5 | -168.8 | 0 | 0 | 0 | 0 | 108.6 | L215 L245 L247 V255 K256 L258 | L215-V217 HydrophobicContact CG-CG2 4.32Å; V217-L245 HydrophobicContact CG1-CD1 4.11Å; V217-L247 HydrophobicContact CG1-CD1 4.34Å; V217-L247 HydrophobicContact CG2-CD1 3.62Å; V217-V255 HydrophobicContact CG2-CG1 3.98Å; V217-K256 PolarHBondContact N-O 3.25Å; V217-L258 PolarHBondContact O-N 3.06Å |
| 218 | Q | 76.9 | Confident | 70.6 | Confident | 156 Ų | 156 | 87 Ų | 87 | 73% | 0.729 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 141.7 | 175.9 | -70.3 | 175.6 | -9.1 | 0 | 0 | 110.5 | L258 | Q218-L258 HydrophobicContact CG-CD1 4.01Å |
| 219 | W | 75.9 | Confident | 70.2 | Confident | 51 Ų | 51 | 84.1 Ų | 84.1 | 19% | 0.193 | 46% | 0.455 | C | S | . | . | trans | -73.9 | 129.3 | 166 | -179.7 | -81.6 | 0 | 0 | 0 | 109.4 | L243 V257 L258 V259 I314 V316 V324 L326 | W219-L243 HydrophobicContact CD2-CD2 3.88Å; W219-L243 HydrophobicContact CE3-CD2 3.7Å; W219-L243 HydrophobicContact CH2-CB 4.5Å; W219-L243 HydrophobicContact CH2-CD2 4.02Å; W219-L243 HydrophobicContact CZ2-CD2 4.18Å; W219-L243 HydrophobicContact CZ3-CD2 3.77Å; W219-V257 HydrophobicContact CE3-CG1 4.46Å; W219-L258 WeakPolarHBondContact CB-O 3.22Å; W219-L258 PolarHBondContact N-O 3.01Å; W219-V259 HydrophobicContact CB-CB 4.2Å; W219-V259 HydrophobicContact CB-CG2 4.47Å; W219-V259 HydrophobicContact CD2-CB 4.23Å; W219-V259 HydrophobicContact CD2-CG2 3.78Å; W219-V259 HydrophobicContact CE3-CB 3.91Å; W219-V259 HydrophobicContact CE3-CG1 4.47Å; W219-V259 HydrophobicContact CE3-CG2 3.67Å; W219-V259 HydrophobicContact CG-CB 4.38Å; W219-V259 HydrophobicContact CG-CG2 4.15Å; W219-V259 HydrophobicContact CZ3-CG2 4.18Å; W219-I314 HydrophobicContact CH2-CD1 4.18Å; W219-I314 HydrophobicContact CZ3-CD1 3.87Å; W219-V316 HydrophobicContact CZ2-CG2 4.07Å; W219-V324 HydrophobicContact CH2-CB 4.21Å; W219-V324 HydrophobicContact CH2-CG1 3.83Å; W219-V324 HydrophobicContact CZ2-CB 4.25Å; W219-V324 HydrophobicContact CZ2-CG1 3.93Å; W219-L326 HydrophobicContact CZ3-CB 4.47Å; W219-L326 HydrophobicContact CZ3-CD1 4.31Å; W219-L326 HydrophobicContact CZ3-CD2 4.44Å | ||
| 220 | D | 73.7 | Confident | 69.7 | Low | 60 Ų | 60 | 80 Ų | 80 | 32% | 0.321 | 44% | 0.438 | S | S | . | . | trans | -121.2 | 117.2 | -177 | -176.9 | -10.6 | 0 | 0 | 0 | 108.5 | D222 R223 | D220-D222 PolarHBondContact OD1-N 3.46Å; D220-R223 HydrophobicContact CB-CB 4.44Å; D220-R223 HydrophobicContact CB-CG 4.34Å; D220-R223 WeakPolarHBondContact OD2-CD 3.46Å; D220-R223 VanDerWaalsContact OD2-CG 3.28Å; D220-R223 WeakPolarHBondContact OD2-CG 3.4Å | ||
| 221 | A | 64.8 | Low | 69.6 | Low | 67 Ų | 67 | 76.8 Ų | 76.8 | 55% | 0.554 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -78.4 | -28.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R223 V224 | A221-R223 PolarHBondContact O-N 3.38Å; A221-V224 WeakPolarHBondContact O-CG2 3.27Å; A221-V224 PolarHBondContact O-N 3.07Å |
| 222 | D | 66.6 | Low | 69.4 | Low | 159 Ų | 159 | 74.2 Ų | 74.2 | 85% | 0.85 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -10.1 | -177.4 | -65.5 | -20.5 | 0 | 0 | 0 | 111.8 | D220 | D220-D222 PolarHBondContact OD1-N 3.46Š|
| 223 | R | 67.6 | Low | 68.6 | Low | 137 Ų | 137 | 77.4 Ų | 77.4 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 9.1 | 177.4 | -66.6 | -178.5 | 64.3 | 176 | -1.4 | 114.3 | D220 A221 L243 | D220-R223 HydrophobicContact CB-CB 4.44Å; D220-R223 HydrophobicContact CB-CG 4.34Å; D220-R223 WeakPolarHBondContact OD2-CD 3.46Å; D220-R223 VanDerWaalsContact OD2-CG 3.28Å; D220-R223 WeakPolarHBondContact OD2-CG 3.4Å; A221-R223 PolarHBondContact O-N 3.38Å; R223-L243 HydrophobicContact CB-CD1 3.61Å; R223-L243 WeakPolarHBondContact O-CD1 3.5Å |
| 224 | V | 73 | Confident | 67.8 | Low | 45 Ų | 45 | 79.4 Ų | 79.4 | 27% | 0.273 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 115.4 | 174.8 | -179.6 | 0 | 0 | 0 | 0 | 109.5 | A221 L243 V324 | A221-V224 WeakPolarHBondContact O-CG2 3.27Å; A221-V224 PolarHBondContact O-N 3.07Å; V224-L243 HydrophobicContact CG2-CB 4.31Å; V224-V324 HydrophobicContact CG1-CG1 4.12Å; V224-V324 HydrophobicContact CG1-CG2 4.44Å; V224-V324 HydrophobicContact CG2-CG1 4.3Å |
| 225 | T | 69.7 | Low | 67 | Low | 91 Ų | 91 | 81.6 Ų | 81.6 | 56% | 0.558 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 167.7 | 174.7 | 65.7 | 0 | 0 | 0 | 0 | 111.1 | G241 T242 | T225-G241 CarbonylContact O-C 3.35Å; T225-G241 WeakPolarHBondContact O-CA 3.39Å; T225-T242 PolarHBondContact N-O 3.22Å; T225-T242 PolarHBondContact O-N 3.36Å; T225-T242 PolarHBondContact OG1-O 3.43Å |
| 226 | E | 64.3 | Low | 66.2 | Low | 190 Ų | 190 | 81.4 Ų | 81.4 | 89% | 0.888 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 146.6 | 164 | -68.5 | -170.2 | 156.3 | 0 | 0 | 110.6 | ||
| 227 | G | 61.8 | Low | 65.4 | Low | 9 Ų | 9 | 84.3 Ų | 84.3 | 9% | 0.093 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 145.9 | -160.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T239 T242 | G227-T239 PolarHBondContact O-N 3.47Å; G227-T239 VanDerWaalsContact O-N 3.12Å; G227-T242 VanDerWaalsContact CA-OG1 3.3Å; G227-T242 WeakPolarHBondContact CA-OG1 3.41Å |
| 228 | L | 62.9 | Low | 64.3 | Low | 80 Ų | 80 | 90.7 Ų | 90.7 | 42% | 0.419 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.7 | 173.3 | -167.1 | 74.8 | 0 | 0 | 0 | 108.9 | C236 L238 S278 | L228-C236 HydrophobicContact CD1-CB 3.95Å; L228-C236 HydrophobicContact CD2-CB 3.92Å; L228-C236 HydrophobicContact CG-CB 3.86Å; L228-L238 HydrophobicContact CD1-CD1 4.17Å; L228-S278 VanDerWaalsContact O-CB 3.23Å; L228-S278 WeakPolarHBondContact O-CB 3.2Å; L228-S278 PolarHBondContact O-OG 3.07Å |
| 229 | H | 62.7 | Low | 63.6 | Low | 15 Ų | 15 | 84.1 Ų | 84.1 | 7% | 0.069 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118 | 179.5 | 175.8 | -99.9 | 0 | 0 | 0 | 110.2 | C236 E237 T239 G312 | H229-C236 CarbonylContact O-C 3.5Å; H229-C236 WeakPolarHBondContact O-CA 3.25Å; H229-E237 PolarHBondContact N-O 3.01Å; H229-E237 PolarHBondContact O-N 3.43Å; H229-T239 HydrophobicContact CB-CG2 3.58Å; H229-G312 WeakPolarHBondContact CD2-CA 3.4Å; H229-G312 WeakPolarHBondContact NE2-CA 3.44Å |
| 230 | C | 61.5 | Low | 62.7 | Low | 10 Ų | 10 | 85.4 Ų | 85.4 | 7% | 0.068 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 111.6 | -172.2 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | S232 C236 S278 S279 I280 | C230-S232 VanDerWaalsContact C-N 3.34Å; C230-C236 HydrophobicContact CB-CB 4.1Å; C230-C236 WeakPolarHBondContact CB-SG 3.01Å; C230-C236 WeakPolarHBondContact SG-CB 3.4Å; C230-C236 CovalentContact SG-SG 2.04Å; C230-C236 PolarHBondContact SG-SG 3.49Å; C230-S278 PolarHBondContact N-O 3.42Å; C230-S278 VanDerWaalsContact N-O 3.11Å; C230-S279 WeakPolarHBondContact O-CA 3.37Å; C230-I280 PolarHBondContact O-N 3.34Å |
| 231 | V | 60.3 | Low | 62.6 | Low | 71 Ų | 71 | 82.6 Ų | 82.6 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -37.5 | 170.1 | 176.3 | 0 | 0 | 0 | 0 | 110 | L235 I280 | V231-L235 PolarHBondContact N-O 2.99Å; V231-I280 HydrophobicContact CG1-CD1 4.41Å |
| 232 | S | 56 | Low | 63 | Low | 32 Ų | 32 | 79.8 Ų | 79.8 | 22% | 0.224 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 167.1 | 166.5 | 83.8 | 0 | 0 | 0 | 0 | 108.6 | C230 E234 L235 | C230-S232 VanDerWaalsContact C-N 3.34Å; S232-E234 PolarHBondContact O-N 3.5Å; S232-E234 VanDerWaalsContact O-N 3.09Å; S232-E234 PolarHBondContact OG-N 2.03Å; S232-L235 PolarHBondContact N-O 2.79Å; S232-L235 CarbonylContact O-C 3.43Å; S232-L235 PolarHBondContact O-N 3.43Å; S232-L235 VanDerWaalsContact O-N 3.08Å; S232-L235 WeakPolarHBondContact OG-CB 3.45Å; S232-L235 PolarHBondContact OG-N 2.94Å; S232-L235 VanDerWaalsContact OG-N 3.14Å |
| 233 | P | 55.4 | Low | 63.6 | Low | 98 Ų | 98 | 72.2 Ų | 72.2 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.3 | 173.9 | 27.7 | -37.3 | 0 | 0 | 0 | 114 | L281 | P233-L281 HydrophobicContact CG-CD1 4.35Š|
| 234 | E | 55 | Low | 64.2 | Low | 181 Ų | 181 | 68.1 Ų | 68.1 | 85% | 0.846 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -9.1 | 177.9 | -63 | 167.6 | 174.7 | 0 | 0 | 112 | S232 | S232-E234 PolarHBondContact O-N 3.5Å; S232-E234 VanDerWaalsContact O-N 3.09Å; S232-E234 PolarHBondContact OG-N 2.03Å |
| 235 | L | 60.8 | Low | 64.5 | Low | 110 Ų | 110 | 66.4 Ų | 66.4 | 58% | 0.576 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 81.1 | -175.2 | -152.7 | 80.5 | 0 | 0 | 0 | 110 | V231 S232 | V231-L235 PolarHBondContact N-O 2.99Å; S232-L235 PolarHBondContact N-O 2.79Å; S232-L235 CarbonylContact O-C 3.43Å; S232-L235 PolarHBondContact O-N 3.43Å; S232-L235 VanDerWaalsContact O-N 3.08Å; S232-L235 WeakPolarHBondContact OG-CB 3.45Å; S232-L235 PolarHBondContact OG-N 2.94Å; S232-L235 VanDerWaalsContact OG-N 3.14Å |
| 236 | C | 62.4 | Low | 65.1 | Low | 52 Ų | 52 | 66 Ų | 66 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.4 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 111 | L228 H229 C230 | L228-C236 HydrophobicContact CD1-CB 3.95Å; L228-C236 HydrophobicContact CD2-CB 3.92Å; L228-C236 HydrophobicContact CG-CB 3.86Å; H229-C236 CarbonylContact O-C 3.5Å; H229-C236 WeakPolarHBondContact O-CA 3.25Å; C230-C236 HydrophobicContact CB-CB 4.1Å; C230-C236 WeakPolarHBondContact CB-SG 3.01Å; C230-C236 WeakPolarHBondContact SG-CB 3.4Å; C230-C236 CovalentContact SG-SG 2.04Å; C230-C236 PolarHBondContact SG-SG 3.49Å |
| 237 | E | 61.6 | Low | 65.9 | Low | 137 Ų | 137 | 59.4 Ų | 59.4 | 64% | 0.64 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140.5 | 174.6 | -66.6 | -179 | 148.3 | 0 | 0 | 109.9 | H229 T239 | H229-E237 PolarHBondContact N-O 3.01Å; H229-E237 PolarHBondContact O-N 3.43Å; E237-T239 PolarHBondContact O-N 3.4Å |
| 238 | L | 58.2 | Low | 66.5 | Low | 153 Ų | 153 | 64.8 Ų | 64.8 | 80% | 0.801 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 110.4 | 176.9 | -164.6 | 77.3 | 0 | 0 | 0 | 108.6 | L228 | L228-L238 HydrophobicContact CD1-CD1 4.17Å |
| 239 | T | 61.2 | Low | 67.1 | Low | 19 Ų | 19 | 61.1 Ų | 61.1 | 12% | 0.117 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 157.4 | -179.5 | 53.9 | 0 | 0 | 0 | 0 | 111 | G227 H229 E237 G241 T325 | G227-T239 PolarHBondContact O-N 3.47Å; G227-T239 VanDerWaalsContact O-N 3.12Å; H229-T239 HydrophobicContact CB-CG2 3.58Å; E237-T239 PolarHBondContact O-N 3.4Å; T239-G241 PolarHBondContact O-N 3.09Å; T239-G241 VanDerWaalsContact O-N 3.1Å; T239-G241 PolarHBondContact OG1-O 3.32Å; T239-T325 PolarHBondContact OG1-OG1 3.08Å; T239-T325 VanDerWaalsContact OG1-OG1 3.13Å |
| 240 | S | 57 | Low | 67.6 | Low | 78 Ų | 78 | 63.5 Ų | 63.5 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | -14.4 | -178.7 | -46.3 | 0 | 0 | 0 | 0 | 112.9 | E323 | S240-E323 VanDerWaalsContact CB-O 3.31Å; S240-E323 WeakPolarHBondContact CB-O 3.39Å; S240-E323 PolarHBondContact N-O 2.91Å; S240-E323 PolarHBondContact OG-N 3.45Å; S240-E323 VanDerWaalsContact OG-N 3.08Å |
| 241 | G | 70.9 | Confident | 68.3 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.7 | 177.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T225 T239 V324 T325 | T225-G241 CarbonylContact O-C 3.35Å; T225-G241 WeakPolarHBondContact O-CA 3.39Å; T239-G241 PolarHBondContact O-N 3.09Å; T239-G241 VanDerWaalsContact O-N 3.1Å; T239-G241 PolarHBondContact OG1-O 3.32Å; G241-V324 WeakPolarHBondContact O-CA 3.13Å; G241-T325 PolarHBondContact O-N 3.22Å |
| 242 | T | 74.1 | Confident | 68.9 | Low | 8 Ų | 8 | 70.3 Ų | 70.3 | 5% | 0.049 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 129.6 | 175.5 | -64.5 | 0 | 0 | 0 | 0 | 110.8 | T225 G227 T325 R327 | T225-T242 PolarHBondContact N-O 3.22Å; T225-T242 PolarHBondContact O-N 3.36Å; T225-T242 PolarHBondContact OG1-O 3.43Å; G227-T242 VanDerWaalsContact CA-OG1 3.3Å; G227-T242 WeakPolarHBondContact CA-OG1 3.41Å; T242-T325 CarbonylContact C-O 3.19Å; T242-T325 VanDerWaalsContact CA-O 3.26Å; T242-T325 WeakPolarHBondContact CA-O 3.47Å; T242-T325 HydrophobicContact CG2-CG2 4.45Å; T242-R327 HydrophobicContact CG2-CG 3.82Å |
| 243 | L | 79.1 | Confident | 70 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 125.5 | 170.6 | 179.7 | 60.3 | 0 | 0 | 0 | 109.2 | W219 R223 V224 L245 V324 T325 L326 R327 | W219-L243 HydrophobicContact CD2-CD2 3.88Å; W219-L243 HydrophobicContact CE3-CD2 3.7Å; W219-L243 HydrophobicContact CH2-CB 4.5Å; W219-L243 HydrophobicContact CH2-CD2 4.02Å; W219-L243 HydrophobicContact CZ2-CD2 4.18Å; W219-L243 HydrophobicContact CZ3-CD2 3.77Å; R223-L243 HydrophobicContact CB-CD1 3.61Å; R223-L243 WeakPolarHBondContact O-CD1 3.5Å; V224-L243 HydrophobicContact CG2-CB 4.31Å; L243-L245 HydrophobicContact CD1-CD2 4.27Å; L243-L245 HydrophobicContact CG-CD2 4.36Å; L243-L245 HydrophobicContact CG-CG 4.31Å; L243-V324 HydrophobicContact CB-CG1 4.44Å; L243-T325 PolarHBondContact N-O 3.13Å; L243-L326 HydrophobicContact CB-CD1 4.29Å; L243-L326 HydrophobicContact CD2-CD1 4.12Å; L243-L326 HydrophobicContact CG-CD1 4.17Å; L243-R327 PolarHBondContact O-N 2.89Å |
| 244 | T | 79.8 | Confident | 71.2 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 32% | 0.319 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.9 | 176.4 | -55.5 | 0 | 0 | 0 | 0 | 111.4 | F275 R327 | T244-F275 HydrophobicContact CG2-CZ 4.21Å; T244-R327 WeakPolarHBondContact CA-O 3.28Å; T244-R327 HydrophobicContact CG2-CB 4.03Å |
| 245 | L | 80.7 | Confident | 72.6 | Confident | 8 Ų | 8 | 56 Ų | 56 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123.5 | 178.8 | -57 | 174.9 | 0 | 0 | 0 | 109.6 | V217 L243 L326 R327 L328 N329 | V217-L245 HydrophobicContact CG1-CD1 4.11Å; L243-L245 HydrophobicContact CD1-CD2 4.27Å; L243-L245 HydrophobicContact CG-CD2 4.36Å; L243-L245 HydrophobicContact CG-CG 4.31Å; L245-L326 HydrophobicContact CD1-CD1 4.07Å; L245-L326 HydrophobicContact CG-CD1 4.42Å; L245-R327 PolarHBondContact N-O 3.46Å; L245-L328 HydrophobicContact CB-CD2 4Å; L245-L328 HydrophobicContact CD1-CD2 3.95Å; L245-L328 HydrophobicContact CG-CD2 4.4Å; L245-L328 CarbonylContact O-C 3.4Å; L245-L328 WeakPolarHBondContact O-CA 3.44Å; L245-N329 PolarHBondContact O-N 2.96Å |
| 246 | S | 82 | Confident | 73.7 | Confident | 84 Ų | 84 | 51.9 Ų | 51.9 | 59% | 0.587 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 125.3 | 172.4 | -59.4 | 0 | 0 | 0 | 0 | 108.5 | N329 | S246-N329 WeakPolarHBondContact CA-O 3.42Å |
| 247 | L | 79.4 | Confident | 74.5 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 26% | 0.262 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 143.8 | -171.7 | -61.9 | 165.2 | 0 | 0 | 0 | 111.3 | L215 V217 N329 L330 T331 | L215-L247 HydrophobicContact CD2-CD1 4.38Å; V217-L247 HydrophobicContact CG1-CD1 4.34Å; V217-L247 HydrophobicContact CG2-CD1 3.62Å; L247-N329 PolarHBondContact N-O 3.43Å; L247-L330 HydrophobicContact CB-CD2 3.88Å; L247-L330 HydrophobicContact CD1-CD2 3.93Å; L247-L330 HydrophobicContact CG-CD2 4.37Å; L247-T331 PolarHBondContact O-N 3.34Å |
| 248 | E | 75.6 | Confident | 75.3 | Confident | 123 Ų | 123 | 45.4 Ų | 45.4 | 58% | 0.575 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 142.7 | 163.8 | -57 | -151.2 | 153.3 | 0 | 0 | 110.5 | K333 | E248-K333 WeakPolarHBondContact OE1-CE 3.2Å; E248-K333 IonicContact OE1-NZ 3.36Å; E248-K333 PolarHBondContact OE1-NZ 2.63Å; E248-K333 WeakPolarHBondContact OE2-CE 3.41Å; E248-K333 IonicContact OE2-NZ 2.68Å; E248-K333 PolarHBondContact OE2-NZ 3.33Å |
| 249 | V | 76.2 | Confident | 76.1 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 123.4 | -171.8 | -175.5 | 0 | 0 | 0 | 0 | 109 | L215 T253 V255 L330 T331 V332 K333 | L215-V249 HydrophobicContact CD2-CG2 4.17Å; V249-T253 HydrophobicContact CG1-CG2 4.11Å; V249-V255 HydrophobicContact CG1-CG2 4.24Å; V249-V255 HydrophobicContact CG2-CG2 4.08Å; V249-L330 HydrophobicContact CG2-CB 4.25Å; V249-L330 HydrophobicContact CG2-CD2 4.22Å; V249-T331 PolarHBondContact N-O 3.38Å; V249-V332 HydrophobicContact CB-CG2 4.38Å; V249-V332 VanDerWaalsContact O-CA 3.24Å; V249-V332 WeakPolarHBondContact O-CA 3.42Å; V249-K333 PolarHBondContact O-N 3.3Å |
| 250 | P | 72.8 | Confident | 76.3 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 42% | 0.422 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 150 | 171.2 | -18 | 31.3 | 0 | 0 | 0 | 111 | T253 | P250-T253 WeakPolarHBondContact O-CB 3.44Å; P250-T253 PolarHBondContact O-N 3.02Å; P250-T253 PolarHBondContact O-OG1 3.28Å |
| 251 | E | 75.3 | Confident | 76.6 | Confident | 71 Ų | 71 | 40.5 Ų | 40.5 | 33% | 0.332 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 151.3 | 174.1 | -168.3 | 165.9 | -151.6 | 0 | 0 | 112.4 | R213 T253 L304 K333 A334 | R213-E251 PolarHBondContact NH1-O 3.24Å; E251-T253 PolarHBondContact O-N 3.39Å; E251-L304 HydrophobicContact CB-CD2 4.16Å; E251-L304 HydrophobicContact CG-CD2 4.17Å; E251-K333 PolarHBondContact N-O 2.04Å; E251-A334 WeakPolarHBondContact OE2-CA 3.4Å |
| 252 | E | 73.7 | Confident | 76 | Confident | 153 Ų | 153 | 43.2 Ų | 43.2 | 72% | 0.715 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 9.3 | -170.8 | -51.2 | -161.7 | 130.9 | 0 | 0 | 116.2 | ||
| 253 | T | 78.9 | Confident | 75.2 | Confident | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | trans | -89.9 | 126.4 | 179.4 | -51.6 | 0 | 0 | 0 | 0 | 112.3 | R213 L215 V249 P250 E251 | R213-T253 HydrophobicContact CB-CG2 3.94Å; R213-T253 VanDerWaalsContact CB-OG1 3.31Å; R213-T253 WeakPolarHBondContact CB-OG1 3Å; R213-T253 WeakPolarHBondContact CD-OG1 3.45Å; R213-T253 WeakPolarHBondContact O-CA 3.45Å; L215-T253 HydrophobicContact CB-CG2 3.93Å; V249-T253 HydrophobicContact CG1-CG2 4.11Å; P250-T253 WeakPolarHBondContact O-CB 3.44Å; P250-T253 PolarHBondContact O-N 3.02Å; P250-T253 PolarHBondContact O-OG1 3.28Å; E251-T253 PolarHBondContact O-N 3.39Å | ||
| 254 | A | 81.4 | Confident | 74.3 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 153.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W206 R213 L214 L215 V296 | W206-A254 HydrophobicContact CZ2-CB 4.46Å; R213-A254 PolarHBondContact O-N 3.46Å; L214-A254 WeakPolarHBondContact CA-O 3.05Å; L214-A254 HydrophobicContact CD1-CB 4.04Å; L215-A254 PolarHBondContact N-O 3.48Å; A254-V296 HydrophobicContact CB-CG1 4.44Å |
| 255 | V | 83.3 | Confident | 73.7 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.6 | 179.9 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | L215 V217 V249 V296 V297 L302 L330 | L215-V255 HydrophobicContact CB-CG2 4.4Å; L215-V255 HydrophobicContact CD2-CG2 4.43Å; L215-V255 CarbonylContact O-C 3.6Å; L215-V255 WeakPolarHBondContact O-CA 3.35Å; V217-V255 HydrophobicContact CG2-CG1 3.98Å; V249-V255 HydrophobicContact CG1-CG2 4.24Å; V249-V255 HydrophobicContact CG2-CG2 4.08Å; V255-V296 WeakPolarHBondContact O-CA 3.02Å; V255-V297 PolarHBondContact N-O 3.46Å; V255-V297 PolarHBondContact O-N 3.36Å; V255-L302 HydrophobicContact CG2-CD1 3.88Å; V255-L330 HydrophobicContact CG2-CD1 4.25Å |
| 256 | K | 83.3 | Confident | 73.3 | Confident | 25 Ų | 25 | 48.5 Ų | 48.5 | 11% | 0.109 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118 | 173.5 | -178.8 | -174.5 | -172.6 | -159 | 0 | 109.9 | L214 L215 V217 L258 D293 V296 | L214-K256 HydrophobicContact CD1-CB 4.05Å; L215-K256 PolarHBondContact O-N 3.12Å; V217-K256 PolarHBondContact N-O 3.25Å; K256-L258 HydrophobicContact CD-CD2 3.91Å; K256-L258 HydrophobicContact CG-CD2 4.34Å; K256-D293 IonicContact NZ-OD2 2.64Å; K256-D293 PolarHBondContact NZ-OD2 3.17Å; K256-V296 HydrophobicContact CB-CG2 4Å; K256-V296 HydrophobicContact CG-CG2 3.91Å |
| 257 | V | 80.1 | Confident | 73.3 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.5 | 168.9 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | W219 V259 G294 L295 | W219-V257 HydrophobicContact CE3-CG1 4.46Å; V257-V259 HydrophobicContact CG1-CG1 4.4Å; V257-V259 PolarHBondContact O-N 3.28Å; V257-G294 CarbonylContact O-C 3.4Å; V257-G294 WeakPolarHBondContact O-CA 3.39Å; V257-L295 PolarHBondContact N-O 3.4Å; V257-L295 PolarHBondContact O-N 2.99Å |
| 258 | L | 78.8 | Confident | 73.4 | Confident | 52 Ų | 52 | 44.7 Ų | 44.7 | 27% | 0.272 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 99.5 | -179.9 | -63.6 | 172.3 | 0 | 0 | 0 | 110.3 | V216 V217 Q218 W219 K256 D293 | V216-L258 HydrophobicContact CG1-CD1 3.59Å; V216-L258 HydrophobicContact CG1-CD2 4.11Å; V216-L258 HydrophobicContact CG1-CG 3.75Å; V217-L258 PolarHBondContact O-N 3.06Å; Q218-L258 HydrophobicContact CG-CD1 4.01Å; W219-L258 WeakPolarHBondContact CB-O 3.22Å; W219-L258 PolarHBondContact N-O 3.01Å; K256-L258 HydrophobicContact CD-CD2 3.91Å; K256-L258 HydrophobicContact CG-CD2 4.34Å; L258-D293 WeakPolarHBondContact CA-O 3.05Å; L258-D293 WeakPolarHBondContact CD2-O 3.44Å |
| 259 | V | 74.1 | Confident | 73.8 | Confident | 9 Ų | 9 | 43.3 Ų | 43.3 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | trans | -149.4 | 134.6 | -179.3 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | W219 V257 A261 D293 L295 I314 V316 | W219-V259 HydrophobicContact CB-CB 4.2Å; W219-V259 HydrophobicContact CB-CG2 4.47Å; W219-V259 HydrophobicContact CD2-CB 4.23Å; W219-V259 HydrophobicContact CD2-CG2 3.78Å; W219-V259 HydrophobicContact CE3-CB 3.91Å; W219-V259 HydrophobicContact CE3-CG1 4.47Å; W219-V259 HydrophobicContact CE3-CG2 3.67Å; W219-V259 HydrophobicContact CG-CB 4.38Å; W219-V259 HydrophobicContact CG-CG2 4.15Å; W219-V259 HydrophobicContact CZ3-CG2 4.18Å; V257-V259 HydrophobicContact CG1-CG1 4.4Å; V257-V259 PolarHBondContact O-N 3.28Å; V259-A261 HydrophobicContact CG1-CB 4.31Å; V259-A261 HydrophobicContact CG2-CB 4.46Å; V259-A261 PolarHBondContact O-N 2.78Å; V259-D293 PolarHBondContact N-O 2.84Å; V259-L295 HydrophobicContact CG1-CD1 4.03Å; V259-L295 HydrophobicContact CG1-CG 4.11Å; V259-I314 HydrophobicContact CG2-CG2 4.5Å; V259-V316 HydrophobicContact CG2-CG1 4.49Å; V259-V316 HydrophobicContact CG2-CG2 4.24Å | ||
| 260 | N | 65.6 | Low | 74.1 | Confident | 106 Ų | 106 | 43.9 Ų | 43.9 | 57% | 0.567 | 26% | 0.255 | S | S | * | . | trans | -87.6 | 85.4 | 176.7 | -174.1 | 28.1 | 0 | 0 | 0 | 110.3 | V316 D317 | N260-V316 WeakPolarHBondContact O-CA 3.49Å; N260-D317 WeakPolarHBondContact CB-OD1 3.41Å; N260-D317 PolarHBondContact ND2-OD1 2.81Å; N260-D317 PolarHBondContact O-N 2.83Å | ||
| 261 | A | 63.5 | Low | 74.6 | Confident | 31 Ų | 31 | 44 Ų | 44 | 26% | 0.256 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 135.9 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V259 L295 I314 R315 | V259-A261 HydrophobicContact CG1-CB 4.31Å; V259-A261 HydrophobicContact CG2-CB 4.46Å; V259-A261 PolarHBondContact O-N 2.78Å; A261-L295 HydrophobicContact CB-CD1 4.37Å; A261-I314 HydrophobicContact CB-CG2 3.69Å; A261-R315 WeakPolarHBondContact CA-O 3.34Å |
| 262 | S | 59 | Low | 74.9 | Confident | 58 Ų | 58 | 45.5 Ų | 45.5 | 41% | 0.406 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114 | 169.5 | 66.2 | 0 | 0 | 0 | 0 | 111.5 | R315 | S262-R315 PolarHBondContact N-O 3.32Å |
| 263 | G | 57.8 | Low | 75.1 | Confident | 67 Ų | 67 | 44.4 Ų | 44.4 | 69% | 0.691 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 163.2 | 179.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 264 | A | 59.6 | Low | 75.1 | Confident | 62 Ų | 62 | 44.3 Ų | 44.3 | 51% | 0.512 | 26% | 0.26 | S | S | . | . | trans | -70.7 | 137.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V266 K311 | A264-V266 HydrophobicContact CB-CG2 4.01Å; A264-V266 PolarHBondContact O-N 3.24Å; A264-K311 PolarHBondContact O-NZ 3.22Å | ||
| 265 | P | 65.8 | Low | 75.1 | Confident | 21 Ų | 21 | 45 Ų | 45 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | trans | -77 | 16.7 | -172.1 | 30.8 | -36.8 | 0 | 0 | 0 | 115.4 | L203 L267 W287 F288 | L203-P265 HydrophobicContact CD2-CB 3.69Å; L203-P265 HydrophobicContact CD2-CG 3.52Å; L203-P265 HydrophobicContact CG-CG 4.43Å; P265-L267 PolarHBondContact O-N 3.28Å; P265-W287 HydrophobicContact CG-CE3 3.96Å; P265-W287 HydrophobicContact CG-CZ3 4.41Å; P265-W287 WeakPolarHBondContact O-CA 3.36Å; P265-F288 HydrophobicContact CB-CB 4.36Å; P265-F288 PolarHBondContact O-N 3.37Å | ||
| 266 | V | 72.8 | Confident | 74.9 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 18% | 0.176 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 128.7 | -178.3 | -159.6 | 0 | 0 | 0 | 0 | 111 | A264 W268 T285 W287 K311 | A264-V266 HydrophobicContact CB-CG2 4.01Å; A264-V266 PolarHBondContact O-N 3.24Å; V266-W268 HydrophobicContact CB-CZ2 4.26Å; V266-W268 HydrophobicContact CG1-CD2 4.45Å; V266-W268 HydrophobicContact CG1-CH2 4.42Å; V266-W268 HydrophobicContact CG1-CZ2 3.61Å; V266-T285 HydrophobicContact CG1-CG2 3.55Å; V266-W287 HydrophobicContact CB-CZ3 4.44Å; V266-W287 HydrophobicContact CG2-CE3 4.27Å; V266-W287 HydrophobicContact CG2-CH2 4.34Å; V266-W287 HydrophobicContact CG2-CZ3 3.71Å; V266-K311 WeakPolarHBondContact O-CD 3.06Å; V266-K311 WeakPolarHBondContact O-CE 3.43Å; V266-K311 PolarHBondContact O-NZ 2.98Å |
| 267 | L | 81.9 | Confident | 74.4 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 136.6 | 173.5 | 174.8 | 67.5 | 0 | 0 | 0 | 108.2 | P265 I286 F288 V297 F309 K311 | P265-L267 PolarHBondContact O-N 3.28Å; L267-I286 HydrophobicContact CB-CG1 4.03Å; L267-I286 HydrophobicContact CD2-CD1 3.74Å; L267-I286 HydrophobicContact CD2-CG1 4.17Å; L267-I286 HydrophobicContact CG-CD1 4.09Å; L267-I286 HydrophobicContact CG-CG1 4.04Å; L267-I286 PolarHBondContact N-O 2.91Å; L267-I286 CarbonylContact O-C 3.5Å; L267-I286 WeakPolarHBondContact O-CA 3.05Å; L267-I286 WeakPolarHBondContact O-CG1 3.44Å; L267-I286 PolarHBondContact O-N 3.04Å; L267-F288 HydrophobicContact CB-CD2 3.9Å; L267-F288 HydrophobicContact CB-CE2 3.89Å; L267-F288 HydrophobicContact CB-CG 4.48Å; L267-F288 HydrophobicContact CB-CZ 4.45Å; L267-F288 HydrophobicContact CD1-CE2 3.74Å; L267-F288 HydrophobicContact CD1-CZ 3.74Å; L267-F288 HydrophobicContact CD2-CD1 4.14Å; L267-F288 HydrophobicContact CD2-CD2 4.4Å; L267-F288 HydrophobicContact CD2-CE1 3.84Å; L267-F288 HydrophobicContact CD2-CE2 4.11Å; L267-F288 HydrophobicContact CD2-CG 4.43Å; L267-F288 HydrophobicContact CD2-CZ 3.83Å; L267-F288 HydrophobicContact CG-CE2 4.14Å; L267-F288 HydrophobicContact CG-CZ 4.23Å; L267-V297 HydrophobicContact CD2-CG2 4.04Å; L267-F309 HydrophobicContact CD1-CB 3.81Å; L267-F309 HydrophobicContact CD2-CB 4.33Å; L267-F309 HydrophobicContact CD2-CD1 4.22Å; L267-F309 HydrophobicContact CD2-CG 4.4Å; L267-F309 HydrophobicContact CG-CB 4.15Å; L267-F309 HydrophobicContact CG-CD1 4.4Å; L267-K311 HydrophobicContact CD1-CB 3.9Å |
| 268 | W | 82.2 | Confident | 74.1 | Confident | 51 Ų | 51 | 58.6 Ų | 58.6 | 19% | 0.193 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 120.6 | -178.2 | -64.3 | -69.9 | 0 | 0 | 0 | 111.1 | V266 V270 I280 T284 T285 F309 L310 | V266-W268 HydrophobicContact CB-CZ2 4.26Å; V266-W268 HydrophobicContact CG1-CD2 4.45Å; V266-W268 HydrophobicContact CG1-CH2 4.42Å; V266-W268 HydrophobicContact CG1-CZ2 3.61Å; W268-V270 HydrophobicContact CB-CG1 4.41Å; W268-I280 HydrophobicContact CB-CG2 4.06Å; W268-I280 HydrophobicContact CD2-CG2 3.88Å; W268-I280 HydrophobicContact CE3-CG2 3.78Å; W268-I280 HydrophobicContact CG-CB 4.45Å; W268-I280 HydrophobicContact CG-CG2 3.98Å; W268-T284 WeakPolarHBondContact CA-O 3.49Å; W268-T285 PolarHBondContact NE1-OG1 2.97Å; W268-F309 CarbonylContact O-C 3.4Å; W268-F309 WeakPolarHBondContact O-CA 3.47Å; W268-L310 PolarHBondContact N-O 3.09Å; W268-L310 PolarHBondContact O-N 2.8Å |
| 269 | R | 83.3 | Confident | 74 | Confident | 95 Ų | 95 | 56.6 Ų | 56.6 | 36% | 0.358 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.6 | 169.2 | -172.7 | -178.7 | -172.2 | -140.4 | 1.3 | 108.6 | G283 T284 I286 P303 N307 Y308 F309 | R269-G283 CarbonylContact O-C 3.5Å; R269-G283 WeakPolarHBondContact O-CA 3.01Å; R269-T284 PolarHBondContact N-O 2.89Å; R269-T284 PolarHBondContact O-N 3.18Å; R269-T284 PolarHBondContact O-OG1 2.88Å; R269-I286 HydrophobicContact CB-CD1 4.49Å; R269-P303 VanDerWaalsContact NH2-CG 3.33Å; R269-N307 PolarHBondContact NH2-OD1 3.15Å; R269-Y308 WeakPolarHBondContact CA-O 3.42Å; R269-F309 HydrophobicContact CB-CD1 3.63Å; R269-F309 HydrophobicContact CB-CE1 3.68Å; R269-F309 HydrophobicContact CG-CD1 3.84Å; R269-F309 HydrophobicContact CG-CE1 3.55Å; R269-F309 HydrophobicContact CG-CZ 4.33Å |
| 270 | V | 84.1 | Confident | 74 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.085 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 169.1 | -171.3 | -66 | 0 | 0 | 0 | 0 | 111.6 | W268 F275 Y308 L310 | W268-V270 HydrophobicContact CB-CG1 4.41Å; V270-F275 HydrophobicContact CG2-CB 3.88Å; V270-F275 HydrophobicContact CG2-CD2 4.43Å; V270-Y308 PolarHBondContact N-O 3.39Å; V270-L310 HydrophobicContact CG1-CD1 4.05Å; V270-L310 HydrophobicContact CG1-CG 4.32Å; V270-L310 HydrophobicContact CG2-CD1 4.08Å; V270-L310 HydrophobicContact CG2-CG 3.86Å |
| 271 | S | 82.6 | Confident | 74 | Confident | 67 Ų | 67 | 56.9 Ų | 56.9 | 47% | 0.469 | 32% | 0.315 | S | S | . | . | trans | -73.4 | 167.7 | 165.6 | 63.2 | 0 | 0 | 0 | 0 | 111.3 | E273 G274 F275 | S271-E273 VanDerWaalsContact C-N 3.33Å; S271-E273 PolarHBondContact O-N 3.45Å; S271-G274 PolarHBondContact O-N 3.39Å; S271-G274 PolarHBondContact OG-N 2.99Å; S271-F275 WeakPolarHBondContact O-CB 3.38Å; S271-F275 PolarHBondContact O-N 3.39Å | ||
| 272 | E | 81 | Confident | 74 | Confident | 103 Ų | 103 | 63 Ų | 63 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -56.5 | -44.7 | 173.3 | -170.6 | 162.9 | 150.6 | 0 | 0 | 112.3 | G274 F275 L276 Y308 | E272-G274 PolarHBondContact O-N 3.42Å; E272-F275 WeakPolarHBondContact O-CB 3.49Å; E272-F275 PolarHBondContact O-N 2.97Å; E272-L276 HydrophobicContact CG-CD1 4.05Å; E272-L276 WeakPolarHBondContact O-CB 3.44Å; E272-L276 VanDerWaalsContact O-CG 3.3Å; E272-L276 WeakPolarHBondContact O-CG 3.25Å; E272-L276 PolarHBondContact O-N 3.35Å; E272-Y308 HydrophobicContact CB-CD2 4.09Å; E272-Y308 HydrophobicContact CB-CE2 3.49Å; E272-Y308 VanDerWaalsContact CB-CE2 3.49Å; E272-Y308 HydrophobicContact CG-CE1 4.32Å; E272-Y308 HydrophobicContact CG-CE2 3.85Å; E272-Y308 WeakPolarHBondContact CG-OH 3.24Å; E272-Y308 PolarHBondContact OE2-OH 2.81Å |
| 273 | E | 79.2 | Confident | 74.5 | Confident | 130 Ų | 130 | 61.3 Ų | 61.3 | 61% | 0.607 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 176.3 | -60.4 | -170.2 | 158.7 | 0 | 0 | 112.5 | S271 R277 | S271-E273 VanDerWaalsContact C-N 3.33Å; S271-E273 PolarHBondContact O-N 3.45Å; E273-R277 WeakPolarHBondContact O-CB 3.19Å; E273-R277 WeakPolarHBondContact O-CG 3.42Å; E273-R277 PolarHBondContact O-N 3.45Å; E273-R277 VanDerWaalsContact O-N 3.09Å |
| 274 | G | 77.4 | Confident | 75.5 | Confident | 7 Ų | 7 | 62 Ų | 62 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S271 E272 R277 S278 S279 | S271-G274 PolarHBondContact O-N 3.39Å; S271-G274 PolarHBondContact OG-N 2.99Å; E272-G274 PolarHBondContact O-N 3.42Å; G274-R277 PolarHBondContact O-N 3.18Å; G274-S278 PolarHBondContact O-N 3.37Å; G274-S279 CarbonylContact C-O 3.59Å; G274-S279 WeakPolarHBondContact CA-O 3.46Å; G274-S279 PolarHBondContact O-N 3.39Å |
| 275 | F | 81.9 | Confident | 76.4 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.4 | -54.9 | 174.8 | -174.2 | -102.9 | 0 | 0 | 0 | 111.7 | T244 V270 S271 E272 R277 S278 Y308 L310 R327 L328 N329 | T244-F275 HydrophobicContact CG2-CZ 4.21Å; V270-F275 HydrophobicContact CG2-CB 3.88Å; V270-F275 HydrophobicContact CG2-CD2 4.43Å; S271-F275 WeakPolarHBondContact O-CB 3.38Å; S271-F275 PolarHBondContact O-N 3.39Å; E272-F275 WeakPolarHBondContact O-CB 3.49Å; E272-F275 PolarHBondContact O-N 2.97Å; F275-R277 VanDerWaalsContact C-N 3.25Å; F275-R277 PolarHBondContact O-N 3.2Å; F275-S278 PolarHBondContact O-N 3.08Å; F275-Y308 HydrophobicContact CB-CD1 3.97Å; F275-Y308 HydrophobicContact CB-CG 3.97Å; F275-Y308 AromaticContact CD1-CD1 3.68Å; F275-Y308 HydrophobicContact CD1-CD1 3.68Å; F275-Y308 HydrophobicContact CD1-CE1 4.22Å; F275-Y308 HydrophobicContact CD2-CD1 4.15Å; F275-Y308 HydrophobicContact CD2-CG 4.45Å; F275-Y308 HydrophobicContact CE1-CD1 4.16Å; F275-Y308 AromaticContact CG-CD1 3.67Å; F275-Y308 HydrophobicContact CG-CD1 3.67Å; F275-Y308 HydrophobicContact CG-CG 4.09Å; F275-L310 HydrophobicContact CD2-CD2 3.64Å; F275-L310 HydrophobicContact CD2-CG 4.33Å; F275-L310 HydrophobicContact CE2-CD2 4.07Å; F275-L310 HydrophobicContact CG-CD2 4.49Å; F275-R327 HydrophobicContact CE2-CB 3.73Å; F275-R327 HydrophobicContact CE2-CG 4.49Å; F275-R327 HydrophobicContact CZ-CB 3.91Å; F275-R327 PolarHBondContact O-NH1 2.04Å; F275-R327 VanDerWaalsContact O-NH1 3.14Å; F275-R327 PolarHBondContact O-NH2 3.31Å; F275-L328 VanDerWaalsContact CE2-O 3.31Å; F275-L328 WeakPolarHBondContact CE2-O 3.35Å; F275-N329 HydrophobicContact CE1-CB 4.3Å; F275-N329 HydrophobicContact CZ-CB 4.09Å |
| 276 | L | 79.5 | Confident | 77 | Confident | 116 Ų | 116 | 62.9 Ų | 62.9 | 61% | 0.607 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -54.4 | -43.2 | -179.4 | -72.2 | 166 | 0 | 0 | 0 | 111.4 | E272 S278 R327 | E272-L276 HydrophobicContact CG-CD1 4.05Å; E272-L276 WeakPolarHBondContact O-CB 3.44Å; E272-L276 VanDerWaalsContact O-CG 3.3Å; E272-L276 WeakPolarHBondContact O-CG 3.25Å; E272-L276 PolarHBondContact O-N 3.35Å; L276-S278 VanDerWaalsContact C-N 3.32Å; L276-S278 PolarHBondContact O-N 3.08Å; L276-R327 PolarHBondContact O-NH1 3.28Å |
| 277 | R | 73.3 | Confident | 77.1 | Confident | 181 Ų | 181 | 67.1 Ų | 67.1 | 68% | 0.683 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 8.1 | 179.9 | -63.6 | 179 | -178.8 | 172.1 | 5.5 | 115.2 | E273 G274 F275 S279 | E273-R277 WeakPolarHBondContact O-CB 3.19Å; E273-R277 WeakPolarHBondContact O-CG 3.42Å; E273-R277 PolarHBondContact O-N 3.45Å; E273-R277 VanDerWaalsContact O-N 3.09Å; G274-R277 PolarHBondContact O-N 3.18Å; F275-R277 VanDerWaalsContact C-N 3.25Å; F275-R277 PolarHBondContact O-N 3.2Å; R277-S279 PolarHBondContact O-N 3.36Å; R277-S279 VanDerWaalsContact O-N 3.14Å |
| 278 | S | 73.5 | Confident | 76.9 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 12% | 0.119 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 34.9 | -173.2 | -68.7 | 0 | 0 | 0 | 0 | 113.3 | L228 C230 G274 F275 L276 R327 | L228-S278 VanDerWaalsContact O-CB 3.23Å; L228-S278 WeakPolarHBondContact O-CB 3.2Å; L228-S278 PolarHBondContact O-OG 3.07Å; C230-S278 PolarHBondContact N-O 3.42Å; C230-S278 VanDerWaalsContact N-O 3.11Å; G274-S278 PolarHBondContact O-N 3.37Å; F275-S278 PolarHBondContact O-N 3.08Å; L276-S278 VanDerWaalsContact C-N 3.32Å; L276-S278 PolarHBondContact O-N 3.08Å; S278-R327 PolarHBondContact OG-NH1 3.33Å |
| 279 | S | 75.4 | Confident | 76.7 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -119.1 | 133.5 | -170.3 | -169.5 | 0 | 0 | 0 | 0 | 113.1 | C230 G274 R277 L281 | C230-S279 WeakPolarHBondContact O-CA 3.37Å; G274-S279 CarbonylContact C-O 3.59Å; G274-S279 WeakPolarHBondContact CA-O 3.46Å; G274-S279 PolarHBondContact O-N 3.39Å; R277-S279 PolarHBondContact O-N 3.36Å; R277-S279 VanDerWaalsContact O-N 3.14Å; S279-L281 VanDerWaalsContact C-N 3.27Å; S279-L281 PolarHBondContact O-N 3.41Å |
| 280 | I | 75.3 | Confident | 76.2 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 19% | 0.185 | 33% | 0.334 | C | S | . | . | trans | -87.2 | 13 | 178.6 | 64.1 | 173.7 | 0 | 0 | 0 | 113.7 | C230 V231 W268 N282 G283 L310 | C230-I280 PolarHBondContact O-N 3.34Å; V231-I280 HydrophobicContact CG1-CD1 4.41Å; W268-I280 HydrophobicContact CB-CG2 4.06Å; W268-I280 HydrophobicContact CD2-CG2 3.88Å; W268-I280 HydrophobicContact CE3-CG2 3.78Å; W268-I280 HydrophobicContact CG-CB 4.45Å; W268-I280 HydrophobicContact CG-CG2 3.98Å; I280-N282 PolarHBondContact O-N 3.08Å; I280-G283 WeakPolarHBondContact O-CA 3.46Å; I280-G283 PolarHBondContact O-N 3.13Å; I280-L310 HydrophobicContact CG2-CD1 4.32Å | ||
| 281 | L | 64.3 | Low | 75.6 | Confident | 86 Ų | 86 | 64.7 Ų | 64.7 | 45% | 0.45 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 126.1 | 178.9 | -123.7 | 144.3 | 0 | 0 | 0 | 110.8 | P233 S279 G283 | P233-L281 HydrophobicContact CG-CD1 4.35Å; S279-L281 VanDerWaalsContact C-N 3.27Å; S279-L281 PolarHBondContact O-N 3.41Å; L281-G283 PolarHBondContact O-N 3.42Å; L281-G283 VanDerWaalsContact O-N 3.12Å |
| 282 | N | 63.3 | Low | 74.8 | Confident | 159 Ų | 159 | 67.4 Ų | 67.4 | 85% | 0.85 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 15.5 | -170.6 | -56.4 | -26.2 | 0 | 0 | 0 | 115 | I280 | I280-N282 PolarHBondContact O-N 3.08Š|
| 283 | G | 71 | Confident | 74.4 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 138.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R269 I280 L281 | R269-G283 CarbonylContact O-C 3.5Å; R269-G283 WeakPolarHBondContact O-CA 3.01Å; I280-G283 WeakPolarHBondContact O-CA 3.46Å; I280-G283 PolarHBondContact O-N 3.13Å; L281-G283 PolarHBondContact O-N 3.42Å; L281-G283 VanDerWaalsContact O-N 3.12Å |
| 284 | T | 79.2 | Confident | 74.2 | Confident | 83 Ų | 83 | 61.1 Ų | 61.1 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 131 | 173.9 | 49.3 | 0 | 0 | 0 | 0 | 110.4 | W268 R269 I286 | W268-T284 WeakPolarHBondContact CA-O 3.49Å; R269-T284 PolarHBondContact N-O 2.89Å; R269-T284 PolarHBondContact O-N 3.18Å; R269-T284 PolarHBondContact O-OG1 2.88Å; T284-I286 PolarHBondContact O-N 2.85Å |
| 285 | T | 77.1 | Confident | 74.4 | Confident | 76 Ų | 76 | 61.3 Ų | 61.3 | 47% | 0.466 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 118.5 | 178.9 | -61.8 | 0 | 0 | 0 | 0 | 110.3 | V266 W268 W287 | V266-T285 HydrophobicContact CG1-CG2 3.55Å; W268-T285 PolarHBondContact NE1-OG1 2.97Å; T285-W287 HydrophobicContact CG2-CZ2 4.46Å |
| 286 | I | 79 | Confident | 74.3 | Confident | 24 Ų | 24 | 60.7 Ų | 60.7 | 12% | 0.123 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -179.1 | 168.2 | 60.5 | 164.3 | 0 | 0 | 0 | 109.6 | L267 R269 T284 L301 F309 | L267-I286 HydrophobicContact CB-CG1 4.03Å; L267-I286 HydrophobicContact CD2-CD1 3.74Å; L267-I286 HydrophobicContact CD2-CG1 4.17Å; L267-I286 HydrophobicContact CG-CD1 4.09Å; L267-I286 HydrophobicContact CG-CG1 4.04Å; L267-I286 PolarHBondContact N-O 2.91Å; L267-I286 CarbonylContact O-C 3.5Å; L267-I286 WeakPolarHBondContact O-CA 3.05Å; L267-I286 WeakPolarHBondContact O-CG1 3.44Å; L267-I286 PolarHBondContact O-N 3.04Å; R269-I286 HydrophobicContact CB-CD1 4.49Å; T284-I286 PolarHBondContact O-N 2.85Å; I286-L301 HydrophobicContact CB-CD1 4.3Å; I286-L301 HydrophobicContact CD1-CD1 4Å; I286-F309 HydrophobicContact CD1-CD1 3.68Å; I286-F309 HydrophobicContact CD1-CE1 3.52Å |
| 287 | W | 75.1 | Confident | 74.6 | Confident | 119 Ų | 119 | 55.2 Ų | 55.2 | 45% | 0.451 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 133.2 | -173.8 | -53.4 | 92.1 | 0 | 0 | 0 | 110 | P201 P265 V266 T285 | P201-W287 HydrophobicContact CG-CH2 3.94Å; P201-W287 HydrophobicContact CG-CZ2 4.34Å; P201-W287 HydrophobicContact CG-CZ3 4.14Å; P265-W287 HydrophobicContact CG-CE3 3.96Å; P265-W287 HydrophobicContact CG-CZ3 4.41Å; P265-W287 WeakPolarHBondContact O-CA 3.36Å; V266-W287 HydrophobicContact CB-CZ3 4.44Å; V266-W287 HydrophobicContact CG2-CE3 4.27Å; V266-W287 HydrophobicContact CG2-CH2 4.34Å; V266-W287 HydrophobicContact CG2-CZ3 3.71Å; T285-W287 HydrophobicContact CG2-CZ2 4.46Å |
| 288 | F | 77.1 | Confident | 75 | Confident | 6 Ų | 6 | 47.4 Ų | 47.4 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 147.1 | 164.2 | -77.4 | -70.6 | 0 | 0 | 0 | 110.2 | P265 L267 L295 V297 K311 L326 L328 | P265-F288 HydrophobicContact CB-CB 4.36Å; P265-F288 PolarHBondContact O-N 3.37Å; L267-F288 HydrophobicContact CB-CD2 3.9Å; L267-F288 HydrophobicContact CB-CE2 3.89Å; L267-F288 HydrophobicContact CB-CG 4.48Å; L267-F288 HydrophobicContact CB-CZ 4.45Å; L267-F288 HydrophobicContact CD1-CE2 3.74Å; L267-F288 HydrophobicContact CD1-CZ 3.74Å; L267-F288 HydrophobicContact CD2-CD1 4.14Å; L267-F288 HydrophobicContact CD2-CD2 4.4Å; L267-F288 HydrophobicContact CD2-CE1 3.84Å; L267-F288 HydrophobicContact CD2-CE2 4.11Å; L267-F288 HydrophobicContact CD2-CG 4.43Å; L267-F288 HydrophobicContact CD2-CZ 3.83Å; L267-F288 HydrophobicContact CG-CE2 4.14Å; L267-F288 HydrophobicContact CG-CZ 4.23Å; F288-L295 HydrophobicContact CB-CB 4.19Å; F288-L295 HydrophobicContact CB-CD2 4.07Å; F288-L295 HydrophobicContact CD1-CB 3.68Å; F288-L295 HydrophobicContact CD2-CB 4.43Å; F288-L295 HydrophobicContact CD2-CD1 3.97Å; F288-L295 HydrophobicContact CE1-CB 4.03Å; F288-L295 HydrophobicContact CE2-CD1 4.07Å; F288-L295 HydrophobicContact CG-CB 3.89Å; F288-L295 HydrophobicContact CG-CD1 4.25Å; F288-L295 HydrophobicContact CG-CD2 4.41Å; F288-L295 HydrophobicContact CG-CG 4.42Å; F288-L295 HydrophobicContact CZ-CD1 4.44Å; F288-V297 HydrophobicContact CD1-CG2 3.98Å; F288-V297 HydrophobicContact CE1-CG2 3.63Å; F288-K311 HydrophobicContact CE2-CB 4.24Å; F288-K311 HydrophobicContact CE2-CD 4.06Å; F288-K311 HydrophobicContact CE2-CG 4.02Å; F288-L326 HydrophobicContact CZ-CD2 4.28Å; F288-L328 HydrophobicContact CZ-CD1 4.47Å |
| 289 | L | 77.8 | Confident | 75.2 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 144.3 | 167.4 | -52.9 | -179.3 | 0 | 0 | 0 | 110.2 | W206 V296 P298 | W206-L289 HydrophobicContact CB-CB 3.68Å; W206-L289 HydrophobicContact CB-CD1 4.16Å; W206-L289 HydrophobicContact CG-CB 4.21Å; W206-L289 HydrophobicContact CG-CD1 4.08Å; L289-V296 HydrophobicContact CB-CB 4.46Å; L289-V296 PolarHBondContact N-O 3.42Å; L289-V296 PolarHBondContact O-N 2.87Å; L289-P298 HydrophobicContact CD1-CB 4.1Å; L289-P298 HydrophobicContact CD1-CG 3.89Å; L289-P298 HydrophobicContact CG-CG 4.41Å |
| 290 | Q | 72.2 | Confident | 75.4 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 27% | 0.271 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 123.2 | -174.7 | -167.1 | 66.6 | 51.3 | 0 | 0 | 111.1 | L203 Q204 W206 | L203-Q290 HydrophobicContact CD2-CB 4.23Å; Q204-Q290 PolarHBondContact O-N 2.95Å; W206-Q290 PolarHBondContact N-O 2.84Å |
| 291 | A | 72.6 | Confident | 75.4 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 164.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | W206 D293 G294 V296 | W206-A291 HydrophobicContact CE3-CB 4.31Å; A291-D293 PolarHBondContact O-N 2.99Å; A291-G294 WeakPolarHBondContact CB-O 3.42Å; A291-G294 PolarHBondContact N-O 3.4Å; A291-V296 HydrophobicContact CB-CG2 3.9Å |
| 292 | P | 65.4 | Low | 76.2 | Confident | 125 Ų | 125 | 55.1 Ų | 55.1 | 81% | 0.812 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -35.4 | -177.2 | -27.9 | 36.6 | 0 | 0 | 0 | 114.4 | ||
| 293 | D | 72.1 | Confident | 76.9 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 54% | 0.535 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | 29.8 | -173.7 | 12.2 | -111.4 | 0 | 0 | 0 | 111.6 | K256 L258 V259 A291 | K256-D293 IonicContact NZ-OD2 2.64Å; K256-D293 PolarHBondContact NZ-OD2 3.17Å; L258-D293 WeakPolarHBondContact CA-O 3.05Å; L258-D293 WeakPolarHBondContact CD2-O 3.44Å; V259-D293 PolarHBondContact N-O 2.84Å; A291-D293 PolarHBondContact O-N 2.99Å |
| 294 | G | 76.3 | Confident | 77.2 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | -177.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | V257 A291 | V257-G294 CarbonylContact O-C 3.4Å; V257-G294 WeakPolarHBondContact O-CA 3.39Å; A291-G294 WeakPolarHBondContact CB-O 3.42Å; A291-G294 PolarHBondContact N-O 3.4Å |
| 295 | L | 80.3 | Confident | 77 | Confident | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 137.4 | 178.9 | -61.9 | 174.6 | 0 | 0 | 0 | 110 | V257 V259 A261 F288 | V257-L295 PolarHBondContact N-O 3.4Å; V257-L295 PolarHBondContact O-N 2.99Å; V259-L295 HydrophobicContact CG1-CD1 4.03Å; V259-L295 HydrophobicContact CG1-CG 4.11Å; A261-L295 HydrophobicContact CB-CD1 4.37Å; F288-L295 HydrophobicContact CB-CB 4.19Å; F288-L295 HydrophobicContact CB-CD2 4.07Å; F288-L295 HydrophobicContact CD1-CB 3.68Å; F288-L295 HydrophobicContact CD2-CB 4.43Å; F288-L295 HydrophobicContact CD2-CD1 3.97Å; F288-L295 HydrophobicContact CE1-CB 4.03Å; F288-L295 HydrophobicContact CE2-CD1 4.07Å; F288-L295 HydrophobicContact CG-CB 3.89Å; F288-L295 HydrophobicContact CG-CD1 4.25Å; F288-L295 HydrophobicContact CG-CD2 4.41Å; F288-L295 HydrophobicContact CG-CG 4.42Å; F288-L295 HydrophobicContact CZ-CD1 4.44Å |
| 296 | V | 81.3 | Confident | 77.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.4 | -175.4 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | W206 A254 V255 K256 L289 A291 | W206-V296 HydrophobicContact CD2-CB 4.38Å; W206-V296 HydrophobicContact CD2-CG1 4.09Å; W206-V296 HydrophobicContact CD2-CG2 4.23Å; W206-V296 HydrophobicContact CE3-CB 4.4Å; W206-V296 HydrophobicContact CE3-CG1 4.33Å; W206-V296 HydrophobicContact CE3-CG2 3.75Å; W206-V296 HydrophobicContact CH2-CG1 4.25Å; W206-V296 HydrophobicContact CH2-CG2 4.46Å; W206-V296 HydrophobicContact CZ2-CG1 4.03Å; W206-V296 HydrophobicContact CZ3-CG1 4.4Å; W206-V296 HydrophobicContact CZ3-CG2 3.88Å; A254-V296 HydrophobicContact CB-CG1 4.44Å; V255-V296 WeakPolarHBondContact O-CA 3.02Å; K256-V296 HydrophobicContact CB-CG2 4Å; K256-V296 HydrophobicContact CG-CG2 3.91Å; L289-V296 HydrophobicContact CB-CB 4.46Å; L289-V296 PolarHBondContact N-O 3.42Å; L289-V296 PolarHBondContact O-N 2.87Å; A291-V296 HydrophobicContact CB-CG2 3.9Å |
| 297 | V | 85.6 | Confident | 77.4 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 110.8 | 162.9 | -170.8 | 0 | 0 | 0 | 0 | 107.6 | V255 L267 F288 L301 L302 L328 | V255-V297 PolarHBondContact N-O 3.46Å; V255-V297 PolarHBondContact O-N 3.36Å; L267-V297 HydrophobicContact CD2-CG2 4.04Å; F288-V297 HydrophobicContact CD1-CG2 3.98Å; F288-V297 HydrophobicContact CE1-CG2 3.63Å; V297-L301 HydrophobicContact CG1-CB 4.33Å; V297-L302 HydrophobicContact CG1-CD1 4.14Å; V297-L302 HydrophobicContact CG1-CD2 3.92Å; V297-L302 HydrophobicContact CG1-CG 3.96Å; V297-L328 HydrophobicContact CG2-CD1 4.26Å |
| 298 | P | 81 | Confident | 78 | Confident | 16 Ų | 16 | 46.9 Ų | 46.9 | 10% | 0.104 | 25% | 0.247 | C | C | . | . | trans | -72.8 | 154.2 | -178.1 | 29.9 | -36.5 | 0 | 0 | 0 | 112.6 | L289 R300 L301 | L289-P298 HydrophobicContact CD1-CB 4.1Å; L289-P298 HydrophobicContact CD1-CG 3.89Å; L289-P298 HydrophobicContact CG-CG 4.41Å; P298-R300 PolarHBondContact O-N 3.43Å; P298-R300 VanDerWaalsContact O-N 3.08Å; P298-L301 HydrophobicContact CG-CD1 3.93Å; P298-L301 HydrophobicContact CG-CG 4.03Å; P298-L301 PolarHBondContact O-N 3.12Å | ||
| 299 | D | 78.1 | Confident | 78.4 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -35.3 | -49.1 | 170.6 | 50.5 | -56.9 | 0 | 0 | 0 | 113.7 | K209 Q212 L301 L302 | K209-D299 IonicContact NZ-OD1 3.26Å; K209-D299 PolarHBondContact NZ-OD1 3.04Å; K209-D299 IonicContact NZ-OD2 2.94Å; K209-D299 PolarHBondContact NZ-OD2 3.45Å; Q212-D299 PolarHBondContact NE2-OD1 2.91Å; D299-L301 PolarHBondContact O-N 2.03Å; D299-L301 VanDerWaalsContact O-N 3.11Å; D299-L302 PolarHBondContact O-N 3.46Å |
| 300 | R | 79.3 | Confident | 78.5 | Confident | 210 Ų | 210 | 44.7 Ų | 44.7 | 79% | 0.792 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -68.5 | -9.5 | -174.9 | -64.1 | -178.5 | 172.5 | -177.9 | -6.4 | 115.5 | P298 | P298-R300 PolarHBondContact O-N 3.43Å; P298-R300 VanDerWaalsContact O-N 3.08Å |
| 301 | L | 76.5 | Confident | 78.6 | Confident | 58 Ų | 58 | 42.7 Ų | 42.7 | 30% | 0.304 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -104.5 | 5.4 | 175.8 | -60.4 | -178.6 | 0 | 0 | 0 | 112.4 | I286 V297 P298 D299 P303 | I286-L301 HydrophobicContact CB-CD1 4.3Å; I286-L301 HydrophobicContact CD1-CD1 4Å; V297-L301 HydrophobicContact CG1-CB 4.33Å; P298-L301 HydrophobicContact CG-CD1 3.93Å; P298-L301 HydrophobicContact CG-CG 4.03Å; P298-L301 PolarHBondContact O-N 3.12Å; D299-L301 PolarHBondContact O-N 2.03Å; D299-L301 VanDerWaalsContact O-N 3.11Å; L301-P303 VanDerWaalsContact C-CD 3.45Å; L301-P303 WeakPolarHBondContact O-CD 3.31Å |
| 302 | L | 80.8 | Confident | 78.1 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 5% | 0.052 | 23% | 0.225 | C | C | . | . | trans | -122.2 | 69.9 | -176.1 | -63 | 176.3 | 0 | 0 | 0 | 110.7 | V255 V297 D299 N307 F309 L330 V332 | V255-L302 HydrophobicContact CG2-CD1 3.88Å; V297-L302 HydrophobicContact CG1-CD1 4.14Å; V297-L302 HydrophobicContact CG1-CD2 3.92Å; V297-L302 HydrophobicContact CG1-CG 3.96Å; D299-L302 PolarHBondContact O-N 3.46Å; L302-N307 HydrophobicContact CD2-CB 4.5Å; L302-F309 HydrophobicContact CD2-CE2 3.71Å; L302-F309 HydrophobicContact CD2-CZ 3.79Å; L302-L330 HydrophobicContact CD1-CD1 4.38Å; L302-L330 HydrophobicContact CD2-CB 4.24Å; L302-L330 HydrophobicContact CD2-CD1 3.6Å; L302-V332 HydrophobicContact CB-CG2 3.94Å | ||
| 303 | P | 78.4 | Confident | 78.1 | Confident | 60 Ų | 60 | 39.1 Ų | 39.1 | 39% | 0.39 | 20% | 0.202 | S | C | . | . | trans | -67.6 | 160 | 172.3 | 31.8 | -36.9 | 0 | 0 | 0 | 111.4 | R269 L301 N307 V332 | R269-P303 VanDerWaalsContact NH2-CG 3.33Å; L301-P303 VanDerWaalsContact C-CD 3.45Å; L301-P303 WeakPolarHBondContact O-CD 3.31Å; P303-N307 WeakPolarHBondContact CD-OD1 3.37Å; P303-N307 PolarHBondContact O-ND2 3.39Å; P303-V332 WeakPolarHBondContact O-CB 3.35Å | ||
| 304 | L | 75.8 | Confident | 77.9 | Confident | 90 Ų | 90 | 34.6 Ų | 34.6 | 47% | 0.471 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -48.8 | 142.3 | 176.2 | -66.5 | 174.4 | 0 | 0 | 0 | 113.5 | E251 V332 A334 | E251-L304 HydrophobicContact CB-CD2 4.16Å; E251-L304 HydrophobicContact CG-CD2 4.17Å; L304-V332 HydrophobicContact CD2-CG1 4.25Å; L304-A334 HydrophobicContact CD1-CB 4.11Å; L304-A334 HydrophobicContact CD2-CB 3.79Å; L304-A334 VanDerWaalsContact CD2-N 3.33Å |
| 305 | G | 75.4 | Confident | 77.5 | Confident | 34 Ų | 34 | 39.1 Ų | 39.1 | 35% | 0.351 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.5 | -168.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | N307 V332 | G305-N307 PolarHBondContact O-ND2 2.72Å; G305-N307 VanDerWaalsContact O-ND2 3.08Å; G305-V332 PolarHBondContact N-O 3.38Å; G305-V332 PolarHBondContact O-N 2.82Å |
| 306 | Q | 81.6 | Confident | 76.7 | Confident | 100 Ų | 100 | 40.1 Ų | 40.1 | 47% | 0.467 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 134.7 | 178.6 | -65.7 | -157.2 | 72.3 | 0 | 0 | 111.8 | Y308 N329 T331 | Q306-Y308 HydrophobicContact CB-CE2 4.14Å; Q306-Y308 PolarHBondContact OE1-OH 3.29Å; Q306-N329 PolarHBondContact OE1-ND2 3.03Å; Q306-T331 HydrophobicContact CG-CG2 4.24Å |
| 307 | N | 84.1 | Confident | 75.7 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 113.1 | -178.9 | -67.8 | -88 | 0 | 0 | 0 | 111 | R269 L302 P303 G305 F309 L330 | R269-N307 PolarHBondContact NH2-OD1 3.15Å; L302-N307 HydrophobicContact CD2-CB 4.5Å; P303-N307 WeakPolarHBondContact CD-OD1 3.37Å; P303-N307 PolarHBondContact O-ND2 3.39Å; G305-N307 PolarHBondContact O-ND2 2.72Å; G305-N307 VanDerWaalsContact O-ND2 3.08Å; N307-F309 HydrophobicContact CB-CD2 4.5Å; N307-F309 HydrophobicContact CB-CE2 3.53Å; N307-F309 HydrophobicContact CB-CZ 3.82Å; N307-L330 HydrophobicContact CB-CB 4.48Å; N307-L330 WeakPolarHBondContact CB-O 3.49Å; N307-L330 PolarHBondContact N-O 2.65Å; N307-L330 PolarHBondContact O-N 3.24Å |
| 308 | Y | 85.9 | Confident | 74.3 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.9 | -177.8 | -54.2 | -77 | 0 | 0 | 0 | 111.9 | R269 V270 E272 F275 Q306 N329 | R269-Y308 WeakPolarHBondContact CA-O 3.42Å; V270-Y308 PolarHBondContact N-O 3.39Å; E272-Y308 HydrophobicContact CB-CD2 4.09Å; E272-Y308 HydrophobicContact CB-CE2 3.49Å; E272-Y308 VanDerWaalsContact CB-CE2 3.49Å; E272-Y308 HydrophobicContact CG-CE1 4.32Å; E272-Y308 HydrophobicContact CG-CE2 3.85Å; E272-Y308 WeakPolarHBondContact CG-OH 3.24Å; E272-Y308 PolarHBondContact OE2-OH 2.81Å; F275-Y308 HydrophobicContact CB-CD1 3.97Å; F275-Y308 HydrophobicContact CB-CG 3.97Å; F275-Y308 AromaticContact CD1-CD1 3.68Å; F275-Y308 HydrophobicContact CD1-CD1 3.68Å; F275-Y308 HydrophobicContact CD1-CE1 4.22Å; F275-Y308 HydrophobicContact CD2-CD1 4.15Å; F275-Y308 HydrophobicContact CD2-CG 4.45Å; F275-Y308 HydrophobicContact CE1-CD1 4.16Å; F275-Y308 AromaticContact CG-CD1 3.67Å; F275-Y308 HydrophobicContact CG-CD1 3.67Å; F275-Y308 HydrophobicContact CG-CG 4.09Å; Q306-Y308 HydrophobicContact CB-CE2 4.14Å; Q306-Y308 PolarHBondContact OE1-OH 3.29Å; Y308-N329 HydrophobicContact CD1-CB 4.05Å; Y308-N329 HydrophobicContact CE1-CB 4.22Å; Y308-N329 VanDerWaalsContact CE1-CG 3.43Å; Y308-N329 WeakPolarHBondContact CE1-ND2 3.21Å; Y308-N329 WeakPolarHBondContact CE1-OD1 3.46Å |
| 309 | F | 85.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 141.6 | 177.5 | -47.3 | -91.7 | 0 | 0 | 0 | 112.9 | L267 W268 R269 I286 L302 N307 L328 L330 | L267-F309 HydrophobicContact CD1-CB 3.81Å; L267-F309 HydrophobicContact CD2-CB 4.33Å; L267-F309 HydrophobicContact CD2-CD1 4.22Å; L267-F309 HydrophobicContact CD2-CG 4.4Å; L267-F309 HydrophobicContact CG-CB 4.15Å; L267-F309 HydrophobicContact CG-CD1 4.4Å; W268-F309 CarbonylContact O-C 3.4Å; W268-F309 WeakPolarHBondContact O-CA 3.47Å; R269-F309 HydrophobicContact CB-CD1 3.63Å; R269-F309 HydrophobicContact CB-CE1 3.68Å; R269-F309 HydrophobicContact CG-CD1 3.84Å; R269-F309 HydrophobicContact CG-CE1 3.55Å; R269-F309 HydrophobicContact CG-CZ 4.33Å; I286-F309 HydrophobicContact CD1-CD1 3.68Å; I286-F309 HydrophobicContact CD1-CE1 3.52Å; L302-F309 HydrophobicContact CD2-CE2 3.71Å; L302-F309 HydrophobicContact CD2-CZ 3.79Å; N307-F309 HydrophobicContact CB-CD2 4.5Å; N307-F309 HydrophobicContact CB-CE2 3.53Å; N307-F309 HydrophobicContact CB-CZ 3.82Å; F309-L328 HydrophobicContact CB-CB 4.28Å; F309-L328 HydrophobicContact CD2-CB 4.3Å; F309-L328 PolarHBondContact N-O 2.96Å; F309-L328 PolarHBondContact O-N 3.18Å; F309-L330 HydrophobicContact CD2-CD1 4.24Å; F309-L330 HydrophobicContact CE2-CD1 3.98Å; F309-L330 HydrophobicContact CE2-CG 4.47Å |
| 310 | L | 79.8 | Confident | 72.2 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.6 | 176 | -60.4 | 179.8 | 0 | 0 | 0 | 110.4 | W268 V270 F275 I280 R327 | W268-L310 PolarHBondContact N-O 3.09Å; W268-L310 PolarHBondContact O-N 2.8Å; V270-L310 HydrophobicContact CG1-CD1 4.05Å; V270-L310 HydrophobicContact CG1-CG 4.32Å; V270-L310 HydrophobicContact CG2-CD1 4.08Å; V270-L310 HydrophobicContact CG2-CG 3.86Å; F275-L310 HydrophobicContact CD2-CD2 3.64Å; F275-L310 HydrophobicContact CD2-CG 4.33Å; F275-L310 HydrophobicContact CE2-CD2 4.07Å; F275-L310 HydrophobicContact CG-CD2 4.49Å; I280-L310 HydrophobicContact CG2-CD1 4.32Å; L310-R327 HydrophobicContact CD2-CB 4.29Å; L310-R327 HydrophobicContact CD2-CG 3.66Å |
| 311 | K | 75.4 | Confident | 71.3 | Confident | 16 Ų | 16 | 47 Ų | 47 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 103.7 | 173.8 | 169.9 | 58.5 | 173.7 | 163.5 | 0 | 108.3 | A264 V266 L267 F288 V313 I314 T325 L326 | A264-K311 PolarHBondContact O-NZ 3.22Å; V266-K311 WeakPolarHBondContact O-CD 3.06Å; V266-K311 WeakPolarHBondContact O-CE 3.43Å; V266-K311 PolarHBondContact O-NZ 2.98Å; L267-K311 HydrophobicContact CD1-CB 3.9Å; F288-K311 HydrophobicContact CE2-CB 4.24Å; F288-K311 HydrophobicContact CE2-CD 4.06Å; F288-K311 HydrophobicContact CE2-CG 4.02Å; K311-V313 WeakPolarHBondContact CE-O 3.4Å; K311-V313 PolarHBondContact NZ-O 2.7Å; K311-V313 PolarHBondContact O-N 3.11Å; K311-I314 HydrophobicContact CD-CG1 4.39Å; K311-I314 HydrophobicContact CG-CD1 3.81Å; K311-I314 HydrophobicContact CG-CG1 3.62Å; K311-T325 CarbonylContact O-C 3.55Å; K311-T325 WeakPolarHBondContact O-CA 3.38Å; K311-T325 WeakPolarHBondContact O-CG2 3.05Å; K311-L326 HydrophobicContact CB-CB 4.03Å; K311-L326 HydrophobicContact CG-CB 4.33Å; K311-L326 PolarHBondContact N-O 2.98Å; K311-L326 PolarHBondContact O-N 3.3Å |
| 312 | G | 61.6 | Low | 70.6 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | -47.7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | H229 T325 | H229-G312 WeakPolarHBondContact CD2-CA 3.4Å; H229-G312 WeakPolarHBondContact NE2-CA 3.44Å; G312-T325 VanDerWaalsContact O-CA 3.3Å; G312-T325 WeakPolarHBondContact O-CA 3.12Å; G312-T325 WeakPolarHBondContact O-CB 3.46Å; G312-T325 PolarHBondContact O-OG1 2.91Å |
| 313 | V | 65.3 | Low | 69.9 | Low | 53 Ų | 53 | 50.6 Ų | 50.6 | 32% | 0.321 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 129.8 | -177.7 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | K311 E323 | K311-V313 WeakPolarHBondContact CE-O 3.4Å; K311-V313 PolarHBondContact NZ-O 2.7Å; K311-V313 PolarHBondContact O-N 3.11Å; V313-E323 HydrophobicContact CG1-CB 3.92Å; V313-E323 VanDerWaalsContact CG1-CD 3.43Å; V313-E323 HydrophobicContact CG1-CG 3.8Å; V313-E323 WeakPolarHBondContact CG1-OE1 3.46Å; V313-E323 HydrophobicContact CG2-CB 4.29Å |
| 314 | I | 68.7 | Low | 69.7 | Low | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.6 | 162.6 | -55.4 | -179.6 | 0 | 0 | 0 | 107.1 | W219 V259 A261 K311 V316 V324 L326 | W219-I314 HydrophobicContact CH2-CD1 4.18Å; W219-I314 HydrophobicContact CZ3-CD1 3.87Å; V259-I314 HydrophobicContact CG2-CG2 4.5Å; A261-I314 HydrophobicContact CB-CG2 3.69Å; K311-I314 HydrophobicContact CD-CG1 4.39Å; K311-I314 HydrophobicContact CG-CD1 3.81Å; K311-I314 HydrophobicContact CG-CG1 3.62Å; I314-V316 HydrophobicContact CG2-CG2 4.1Å; I314-V324 PolarHBondContact N-O 2.99Å; I314-V324 PolarHBondContact O-N 3.37Å; I314-L326 HydrophobicContact CD1-CB 3.73Å; I314-L326 HydrophobicContact CD1-CD2 3.9Å; I314-L326 HydrophobicContact CD1-CG 4.47Å |
| 315 | R | 67.3 | Low | 69.7 | Low | 96 Ų | 96 | 44.1 Ų | 44.1 | 36% | 0.362 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 128.9 | 164.2 | -66.1 | -176.9 | -171 | -164.6 | 1.1 | 108.8 | A261 S262 P319 E323 | A261-R315 WeakPolarHBondContact CA-O 3.34Å; S262-R315 PolarHBondContact N-O 3.32Å; R315-P319 PolarHBondContact NH1-O 2.03Å; R315-E323 HydrophobicContact CG-CG 3.97Å; R315-E323 IonicContact CZ-OE1 2.74Å; R315-E323 IonicContact NE-OE1 2.69Å; R315-E323 PolarHBondContact NE-OE1 3.43Å; R315-E323 IonicContact NH2-OE1 2.64Å; R315-E323 PolarHBondContact NH2-OE1 2.92Å |
| 316 | V | 63.4 | Low | 69.9 | Low | 30 Ų | 30 | 42.6 Ų | 42.6 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 133.2 | -174.2 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | W219 V259 N260 I314 A318 A321 | W219-V316 HydrophobicContact CZ2-CG2 4.07Å; V259-V316 HydrophobicContact CG2-CG1 4.49Å; V259-V316 HydrophobicContact CG2-CG2 4.24Å; N260-V316 WeakPolarHBondContact O-CA 3.49Å; I314-V316 HydrophobicContact CG2-CG2 4.1Å; V316-A318 PolarHBondContact O-N 2.69Å; V316-A321 WeakPolarHBondContact O-CB 3.42Å |
| 317 | D | 59.6 | Low | 70 | Confident | 120 Ų | 120 | 39.3 Ų | 39.3 | 64% | 0.642 | 22% | 0.223 | S | C | * | . | S | Bend | trans | 60.1 | -28 | 175.6 | -63.5 | -45.5 | 0 | 0 | 0 | 119.2 | N260 | N260-D317 WeakPolarHBondContact CB-OD1 3.41Å; N260-D317 PolarHBondContact ND2-OD1 2.81Å; N260-D317 PolarHBondContact O-N 2.83Å |
| 318 | A | 57.9 | Low | 70 | Confident | 36 Ų | 36 | 39.2 Ų | 39.2 | 30% | 0.298 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -145.2 | 149.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V316 T320 A321 | V316-A318 PolarHBondContact O-N 2.69Å; A318-T320 PolarHBondContact O-N 2.99Å; A318-T320 VanDerWaalsContact O-N 3.11Å; A318-A321 HydrophobicContact CB-CB 4.32Å; A318-A321 WeakPolarHBondContact O-CB 3.36Å; A318-A321 PolarHBondContact O-N 3.32Å; A318-A321 VanDerWaalsContact O-N 3.08Å |
| 319 | P | 57.9 | Low | 70.1 | Confident | 98 Ų | 98 | 39.2 Ų | 39.2 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -15.4 | 178.5 | 27.1 | -35.5 | 0 | 0 | 0 | 114 | R315 | R315-P319 PolarHBondContact NH1-O 2.03Š|
| 320 | T | 55.6 | Low | 70.1 | Confident | 131 Ų | 131 | 39.2 Ų | 39.2 | 80% | 0.804 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 14 | 176.9 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | A318 | A318-T320 PolarHBondContact O-N 2.99Å; A318-T320 VanDerWaalsContact O-N 3.11Å |
| 321 | A | 60.4 | Low | 70.2 | Confident | 20 Ų | 20 | 40.6 Ų | 40.6 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -75.1 | 158.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V316 A318 | V316-A321 WeakPolarHBondContact O-CB 3.42Å; A318-A321 HydrophobicContact CB-CB 4.32Å; A318-A321 WeakPolarHBondContact O-CB 3.36Å; A318-A321 PolarHBondContact O-N 3.32Å; A318-A321 VanDerWaalsContact O-N 3.08Å |
| 322 | P | 61.7 | Low | 70.5 | Confident | 85 Ų | 85 | 40.1 Ų | 40.1 | 55% | 0.552 | 23% | 0.23 | S | C | * | . | trans | -55.7 | 150.7 | 172.7 | 21.8 | -33.6 | 0 | 0 | 0 | 113.1 | ||||
| 323 | E | 67.4 | Low | 70.9 | Confident | 60 Ų | 60 | 43 Ų | 43 | 28% | 0.28 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 113.8 | -179.4 | -65.2 | -162.3 | 149.1 | 0 | 0 | 110.7 | S240 V313 R315 | S240-E323 VanDerWaalsContact CB-O 3.31Å; S240-E323 WeakPolarHBondContact CB-O 3.39Å; S240-E323 PolarHBondContact N-O 2.91Å; S240-E323 PolarHBondContact OG-N 3.45Å; S240-E323 VanDerWaalsContact OG-N 3.08Å; V313-E323 HydrophobicContact CG1-CB 3.92Å; V313-E323 VanDerWaalsContact CG1-CD 3.43Å; V313-E323 HydrophobicContact CG1-CG 3.8Å; V313-E323 WeakPolarHBondContact CG1-OE1 3.46Å; V313-E323 HydrophobicContact CG2-CB 4.29Å; R315-E323 HydrophobicContact CG-CG 3.97Å; R315-E323 IonicContact CZ-OE1 2.74Å; R315-E323 IonicContact NE-OE1 2.69Å; R315-E323 PolarHBondContact NE-OE1 3.43Å; R315-E323 IonicContact NH2-OE1 2.64Å; R315-E323 PolarHBondContact NH2-OE1 2.92Å |
| 324 | V | 72.8 | Confident | 70.7 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 7% | 0.073 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132.5 | -176.7 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | W219 V224 G241 L243 I314 | W219-V324 HydrophobicContact CH2-CB 4.21Å; W219-V324 HydrophobicContact CH2-CG1 3.83Å; W219-V324 HydrophobicContact CZ2-CB 4.25Å; W219-V324 HydrophobicContact CZ2-CG1 3.93Å; V224-V324 HydrophobicContact CG1-CG1 4.12Å; V224-V324 HydrophobicContact CG1-CG2 4.44Å; V224-V324 HydrophobicContact CG2-CG1 4.3Å; G241-V324 WeakPolarHBondContact O-CA 3.13Å; L243-V324 HydrophobicContact CB-CG1 4.44Å; I314-V324 PolarHBondContact N-O 2.99Å; I314-V324 PolarHBondContact O-N 3.37Å |
| 325 | T | 76.1 | Confident | 70.3 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.6 | 171.9 | -54.8 | 0 | 0 | 0 | 0 | 110 | T239 G241 T242 L243 K311 G312 | T239-T325 PolarHBondContact OG1-OG1 3.08Å; T239-T325 VanDerWaalsContact OG1-OG1 3.13Å; G241-T325 PolarHBondContact O-N 3.22Å; T242-T325 CarbonylContact C-O 3.19Å; T242-T325 VanDerWaalsContact CA-O 3.26Å; T242-T325 WeakPolarHBondContact CA-O 3.47Å; T242-T325 HydrophobicContact CG2-CG2 4.45Å; L243-T325 PolarHBondContact N-O 3.13Å; K311-T325 CarbonylContact O-C 3.55Å; K311-T325 WeakPolarHBondContact O-CA 3.38Å; K311-T325 WeakPolarHBondContact O-CG2 3.05Å; G312-T325 VanDerWaalsContact O-CA 3.3Å; G312-T325 WeakPolarHBondContact O-CA 3.12Å; G312-T325 WeakPolarHBondContact O-CB 3.46Å; G312-T325 PolarHBondContact O-OG1 2.91Å |
| 326 | L | 79.2 | Confident | 69.9 | Low | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.9 | 175.7 | 171.2 | 69 | 0 | 0 | 0 | 110.4 | W219 L243 L245 F288 K311 I314 L328 | W219-L326 HydrophobicContact CZ3-CB 4.47Å; W219-L326 HydrophobicContact CZ3-CD1 4.31Å; W219-L326 HydrophobicContact CZ3-CD2 4.44Å; L243-L326 HydrophobicContact CB-CD1 4.29Å; L243-L326 HydrophobicContact CD2-CD1 4.12Å; L243-L326 HydrophobicContact CG-CD1 4.17Å; L245-L326 HydrophobicContact CD1-CD1 4.07Å; L245-L326 HydrophobicContact CG-CD1 4.42Å; F288-L326 HydrophobicContact CZ-CD2 4.28Å; K311-L326 HydrophobicContact CB-CB 4.03Å; K311-L326 HydrophobicContact CG-CB 4.33Å; K311-L326 PolarHBondContact N-O 2.98Å; K311-L326 PolarHBondContact O-N 3.3Å; I314-L326 HydrophobicContact CD1-CB 3.73Å; I314-L326 HydrophobicContact CD1-CD2 3.9Å; I314-L326 HydrophobicContact CD1-CG 4.47Å; L326-L328 HydrophobicContact CD1-CD2 3.86Å; L326-L328 HydrophobicContact CD2-CD2 4.23Å; L326-L328 HydrophobicContact CD2-CG 4.46Å; L326-L328 HydrophobicContact CG-CD2 4.04Å; L326-L328 HydrophobicContact CG-CG 4.27Å |
| 327 | R | 84.1 | Confident | 69.8 | Low | 31 Ų | 31 | 44.4 Ų | 44.4 | 12% | 0.117 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123 | 177.9 | -63.7 | -175.2 | 51.2 | 166.3 | -18.7 | 109.3 | T242 L243 T244 L245 F275 L276 S278 L310 | T242-R327 HydrophobicContact CG2-CG 3.82Å; L243-R327 PolarHBondContact O-N 2.89Å; T244-R327 WeakPolarHBondContact CA-O 3.28Å; T244-R327 HydrophobicContact CG2-CB 4.03Å; L245-R327 PolarHBondContact N-O 3.46Å; F275-R327 HydrophobicContact CE2-CB 3.73Å; F275-R327 HydrophobicContact CE2-CG 4.49Å; F275-R327 HydrophobicContact CZ-CB 3.91Å; F275-R327 PolarHBondContact O-NH1 2.04Å; F275-R327 VanDerWaalsContact O-NH1 3.14Å; F275-R327 PolarHBondContact O-NH2 3.31Å; L276-R327 PolarHBondContact O-NH1 3.28Å; S278-R327 PolarHBondContact OG-NH1 3.33Å; L310-R327 HydrophobicContact CD2-CB 4.29Å; L310-R327 HydrophobicContact CD2-CG 3.66Å |
| 328 | L | 85.1 | Confident | 69.7 | Low | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126 | 177.5 | -54.8 | 177.5 | 0 | 0 | 0 | 110.2 | L245 F275 F288 V297 F309 L326 L330 | L245-L328 HydrophobicContact CB-CD2 4Å; L245-L328 HydrophobicContact CD1-CD2 3.95Å; L245-L328 HydrophobicContact CG-CD2 4.4Å; L245-L328 CarbonylContact O-C 3.4Å; L245-L328 WeakPolarHBondContact O-CA 3.44Å; F275-L328 VanDerWaalsContact CE2-O 3.31Å; F275-L328 WeakPolarHBondContact CE2-O 3.35Å; F288-L328 HydrophobicContact CZ-CD1 4.47Å; V297-L328 HydrophobicContact CG2-CD1 4.26Å; F309-L328 HydrophobicContact CB-CB 4.28Å; F309-L328 HydrophobicContact CD2-CB 4.3Å; F309-L328 PolarHBondContact N-O 2.96Å; F309-L328 PolarHBondContact O-N 3.18Å; L326-L328 HydrophobicContact CD1-CD2 3.86Å; L326-L328 HydrophobicContact CD2-CD2 4.23Å; L326-L328 HydrophobicContact CD2-CG 4.46Å; L326-L328 HydrophobicContact CG-CD2 4.04Å; L326-L328 HydrophobicContact CG-CG 4.27Å; L328-L330 HydrophobicContact CB-CG 4.33Å |
| 329 | N | 87.4 | Confident | 69.3 | Low | 21 Ų | 21 | 50.6 Ų | 50.6 | 11% | 0.112 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 118.9 | 159.8 | -176.5 | 13.3 | 0 | 0 | 0 | 108.7 | L245 S246 L247 F275 Q306 Y308 | L245-N329 PolarHBondContact O-N 2.96Å; S246-N329 WeakPolarHBondContact CA-O 3.42Å; L247-N329 PolarHBondContact N-O 3.43Å; F275-N329 HydrophobicContact CE1-CB 4.3Å; F275-N329 HydrophobicContact CZ-CB 4.09Å; Q306-N329 PolarHBondContact OE1-ND2 3.03Å; Y308-N329 HydrophobicContact CD1-CB 4.05Å; Y308-N329 HydrophobicContact CE1-CB 4.22Å; Y308-N329 VanDerWaalsContact CE1-CG 3.43Å; Y308-N329 WeakPolarHBondContact CE1-ND2 3.21Å; Y308-N329 WeakPolarHBondContact CE1-OD1 3.46Å |
| 330 | L | 85.2 | Confident | 68.6 | Low | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 108.9 | -175.3 | -58 | 178.7 | 0 | 0 | 0 | 109.9 | L247 V249 V255 L302 N307 F309 L328 | L247-L330 HydrophobicContact CB-CD2 3.88Å; L247-L330 HydrophobicContact CD1-CD2 3.93Å; L247-L330 HydrophobicContact CG-CD2 4.37Å; V249-L330 HydrophobicContact CG2-CB 4.25Å; V249-L330 HydrophobicContact CG2-CD2 4.22Å; V255-L330 HydrophobicContact CG2-CD1 4.25Å; L302-L330 HydrophobicContact CD1-CD1 4.38Å; L302-L330 HydrophobicContact CD2-CB 4.24Å; L302-L330 HydrophobicContact CD2-CD1 3.6Å; N307-L330 HydrophobicContact CB-CB 4.48Å; N307-L330 WeakPolarHBondContact CB-O 3.49Å; N307-L330 PolarHBondContact N-O 2.65Å; N307-L330 PolarHBondContact O-N 3.24Å; F309-L330 HydrophobicContact CD2-CD1 4.24Å; F309-L330 HydrophobicContact CE2-CD1 3.98Å; F309-L330 HydrophobicContact CE2-CG 4.47Å; L328-L330 HydrophobicContact CB-CG 4.33Å |
| 331 | T | 82.8 | Confident | 68.3 | Low | 31 Ų | 31 | 49.8 Ų | 49.8 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 110.4 | 179.3 | -58.4 | 0 | 0 | 0 | 0 | 110 | L247 V249 Q306 | L247-T331 PolarHBondContact O-N 3.34Å; V249-T331 PolarHBondContact N-O 3.38Å; Q306-T331 HydrophobicContact CG-CG2 4.24Å |
| 332 | V | 80.4 | Confident | 67.8 | Low | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.8 | -174.6 | -168.4 | 0 | 0 | 0 | 0 | 110.9 | V249 L302 P303 L304 G305 | V249-V332 HydrophobicContact CB-CG2 4.38Å; V249-V332 VanDerWaalsContact O-CA 3.24Å; V249-V332 WeakPolarHBondContact O-CA 3.42Å; L302-V332 HydrophobicContact CB-CG2 3.94Å; P303-V332 WeakPolarHBondContact O-CB 3.35Å; L304-V332 HydrophobicContact CD2-CG1 4.25Å; G305-V332 PolarHBondContact N-O 3.38Å; G305-V332 PolarHBondContact O-N 2.82Å |
| 333 | K | 69.7 | Low | 66.9 | Low | 63 Ų | 63 | 54.9 Ų | 54.9 | 27% | 0.274 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136.6 | -176.8 | -62.7 | -179.5 | -177.9 | 172.4 | 0 | 111.9 | E248 V249 E251 | E248-K333 WeakPolarHBondContact OE1-CE 3.2Å; E248-K333 IonicContact OE1-NZ 3.36Å; E248-K333 PolarHBondContact OE1-NZ 2.63Å; E248-K333 WeakPolarHBondContact OE2-CE 3.41Å; E248-K333 IonicContact OE2-NZ 2.68Å; E248-K333 PolarHBondContact OE2-NZ 3.33Å; V249-K333 PolarHBondContact O-N 3.3Å; E251-K333 PolarHBondContact N-O 2.04Å |
| 334 | A | 61.4 | Low | 65.8 | Low | 41 Ų | 41 | 60 Ų | 60 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -67 | -44.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E251 L304 | E251-A334 WeakPolarHBondContact OE2-CA 3.4Å; L304-A334 HydrophobicContact CD1-CB 4.11Å; L304-A334 HydrophobicContact CD2-CB 3.79Å; L304-A334 VanDerWaalsContact CD2-N 3.33Å |
| 335 | S | 60.6 | Low | 64.6 | Low | 63 Ų | 63 | 63.1 Ų | 63.1 | 44% | 0.441 | 39% | 0.391 | S | S | . | . | trans | -152 | 161.4 | 172.2 | 58.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 336 | S | 58.6 | Low | 63.6 | Low | 83 Ų | 83 | 65.3 Ų | 65.3 | 58% | 0.58 | 40% | 0.403 | S | S | * | . | trans | -129.8 | 144.7 | 167.3 | 45.7 | 0 | 0 | 0 | 0 | 107.2 | V338 | S336-V338 PolarHBondContact O-N 3.38Š| ||
| 337 | C | 61.8 | Low | 62.5 | Low | 27 Ų | 27 | 70 Ų | 70 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 133.1 | 168.7 | -54.2 | 0 | 0 | 0 | 0 | 107.9 | C355 T357 | C337-C355 HydrophobicContact CB-CB 3.89Å; C337-C355 WeakPolarHBondContact CB-SG 3.3Å; C337-C355 WeakPolarHBondContact SG-CB 3.42Å; C337-C355 CovalentContact SG-SG 2.04Å; C337-C355 PolarHBondContact SG-SG 3.44Å; C337-T357 HydrophobicContact CB-CG2 4.46Å |
| 338 | V | 56.7 | Low | 61.6 | Low | 113 Ų | 113 | 72 Ų | 72 | 69% | 0.685 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 139 | -176.7 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | S336 | S336-V338 PolarHBondContact O-N 3.38Š|
| 339 | E | 49.6 | Very low | 61 | Low | 172 Ų | 172 | 71.9 Ų | 71.9 | 80% | 0.804 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 151.4 | -177.5 | -76.7 | -163.3 | 149.3 | 0 | 0 | 113.4 | G341 | E339-G341 PolarHBondContact O-N 3.25Š|
| 340 | P | 44.5 | Very low | 60.2 | Low | 138 Ų | 138 | 73.9 Ų | 73.9 | 90% | 0.896 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 115.1 | -166.8 | -15 | 30.8 | 0 | 0 | 0 | 112.1 | ||
| 341 | G | 49.6 | Very low | 59.5 | Low | 75 Ų | 75 | 75.1 Ų | 75.1 | 77% | 0.773 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -176.9 | -26.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E339 S343 | E339-G341 PolarHBondContact O-N 3.25Å; G341-S343 PolarHBondContact O-N 2.86Å |
| 342 | S | 48.7 | Very low | 59.2 | Low | 89 Ų | 89 | 77 Ų | 77 | 62% | 0.622 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -70.4 | 122.4 | 165.8 | 48.4 | 0 | 0 | 0 | 0 | 110.4 | F344 | S342-F344 PolarHBondContact O-N 3.13Š|
| 343 | S | 44.3 | Very low | 59 | Low | 123 Ų | 123 | 77.3 Ų | 77.3 | 86% | 0.86 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -77.8 | 58.8 | 179.3 | 64.3 | 0 | 0 | 0 | 0 | 112.4 | G341 | G341-S343 PolarHBondContact O-N 2.86Š|
| 344 | F | 42.7 | Very low | 59.4 | Low | 168 Ų | 168 | 80.3 Ų | 80.3 | 74% | 0.737 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -142.1 | 139.3 | 179.4 | -132 | -101.3 | 0 | 0 | 0 | 109.5 | S342 D346 | S342-F344 PolarHBondContact O-N 3.13Å; F344-D346 PolarHBondContact O-N 2.98Å |
| 345 | S | 48 | Very low | 60 | Low | 76 Ų | 76 | 79.1 Ų | 79.1 | 53% | 0.531 | 48% | 0.484 | S | S | . | . | trans | -57.6 | 131.9 | 170.6 | 51 | 0 | 0 | 0 | 0 | 109.9 | P347 | S345-P347 VanDerWaalsContact O-CD 3.26Å; S345-P347 WeakPolarHBondContact O-CD 3.49Å | ||
| 346 | D | 54.8 | Low | 60.5 | Low | 48 Ų | 48 | 78 Ų | 78 | 26% | 0.257 | 47% | 0.474 | S | S | . | . | trans | -58.9 | 110.1 | -171.3 | -161.2 | -18.9 | 0 | 0 | 0 | 110.9 | F344 Q348 C349 G351 C355 | F344-D346 PolarHBondContact O-N 2.98Å; D346-Q348 PolarHBondContact O-N 3.35Å; D346-Q348 VanDerWaalsContact O-N 3.1Å; D346-Q348 VanDerWaalsContact OD1-CD 3.29Å; D346-Q348 PolarHBondContact OD1-NE2 3.22Å; D346-C349 PolarHBondContact O-N 3.27Å; D346-C349 VanDerWaalsContact O-N 3.11Å; D346-G351 PolarHBondContact O-N 3.09Å; D346-C355 WeakPolarHBondContact OD2-CB 3.34Å | ||
| 347 | P | 57.1 | Low | 60.8 | Low | 101 Ų | 101 | 77.2 Ų | 77.2 | 66% | 0.656 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -6.6 | -168.5 | 25.1 | -27.3 | 0 | 0 | 0 | 113 | S345 | S345-P347 VanDerWaalsContact O-CD 3.26Å; S345-P347 WeakPolarHBondContact O-CD 3.49Å |
| 348 | Q | 64.9 | Low | 60.7 | Low | 71 Ų | 71 | 79.9 Ų | 79.9 | 33% | 0.332 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -23.1 | 171.6 | -68.5 | 84.8 | -95.1 | 0 | 0 | 113.9 | D346 F364 F376 | D346-Q348 PolarHBondContact O-N 3.35Å; D346-Q348 VanDerWaalsContact O-N 3.1Å; D346-Q348 VanDerWaalsContact OD1-CD 3.29Å; D346-Q348 PolarHBondContact OD1-NE2 3.22Å; Q348-F364 HydrophobicContact CB-CE2 3.77Å; Q348-F364 HydrophobicContact CB-CZ 3.79Å; Q348-F364 HydrophobicContact CG-CE1 4.43Å; Q348-F364 HydrophobicContact CG-CE2 4.32Å; Q348-F364 HydrophobicContact CG-CZ 3.87Å; Q348-F376 WeakPolarHBondContact O-CD1 3.27Å |
| 349 | C | 73 | Confident | 60.6 | Low | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | 39.1 | -175.8 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | D346 G351 K352 G353 C366 F376 | D346-C349 PolarHBondContact O-N 3.27Å; D346-C349 VanDerWaalsContact O-N 3.11Å; C349-G351 PolarHBondContact O-N 2.87Å; C349-K352 PolarHBondContact O-N 2.9Å; C349-G353 WeakPolarHBondContact CB-O 3.14Å; C349-G353 PolarHBondContact O-N 3.03Å; C349-C366 WeakPolarHBondContact CA-SG 3.36Å; C349-C366 HydrophobicContact CB-CB 3.76Å; C349-C366 WeakPolarHBondContact CB-SG 3.47Å; C349-C366 WeakPolarHBondContact SG-CB 3.34Å; C349-C366 CovalentContact SG-SG 2.04Å; C349-C366 PolarHBondContact SG-SG 2.89Å; C349-F376 CarbonylContact C-O 2.99Å; C349-F376 WeakPolarHBondContact CA-O 3.01Å |
| 350 | S | 70.3 | Confident | 60.7 | Low | 64 Ų | 64 | 79.6 Ų | 79.6 | 45% | 0.448 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 9.8 | 179.6 | -51.1 | 0 | 0 | 0 | 0 | 116.1 | K352 F376 | S350-K352 PolarHBondContact O-N 2.93Å; S350-F376 VanDerWaalsContact CB-O 3.25Å; S350-F376 WeakPolarHBondContact CB-O 3.15Å; S350-F376 PolarHBondContact N-O 3.25Å; S350-F376 PolarHBondContact OG-O 2.94Å |
| 351 | G | 70.4 | Confident | 61.1 | Low | 25 Ų | 25 | 77.7 Ų | 77.7 | 26% | 0.258 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 20.4 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D346 C349 | D346-G351 PolarHBondContact O-N 3.09Å; C349-G351 PolarHBondContact O-N 2.87Å |
| 352 | K | 76 | Confident | 61.3 | Low | 70 Ų | 70 | 78.5 Ų | 78.5 | 30% | 0.304 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.5 | 17.2 | -176.6 | -68.9 | -58.4 | -173.1 | 170.1 | 0 | 114 | C349 S350 E369 Y372 C377 | C349-K352 PolarHBondContact O-N 2.9Å; S350-K352 PolarHBondContact O-N 2.93Å; K352-E369 IonicContact NZ-OE2 3.66Å; K352-E369 PolarHBondContact O-N 3.2Å; K352-Y372 HydrophobicContact CB-CD1 4.02Å; K352-Y372 HydrophobicContact CB-CD2 4.37Å; K352-Y372 HydrophobicContact CB-CE1 4.3Å; K352-Y372 HydrophobicContact CB-CG 4.05Å; K352-Y372 HydrophobicContact CD-CD1 4.46Å; K352-Y372 HydrophobicContact CD-CD2 4.17Å; K352-Y372 HydrophobicContact CD-CE1 4.01Å; K352-Y372 HydrophobicContact CD-CE2 3.69Å; K352-Y372 VanDerWaalsContact CE-OH 3.23Å; K352-Y372 WeakPolarHBondContact CE-OH 3.48Å; K352-Y372 HydrophobicContact CG-CD1 4.06Å; K352-Y372 HydrophobicContact CG-CE1 3.82Å; K352-Y372 HydrophobicContact CG-CE2 4.33Å; K352-Y372 HydrophobicContact CG-CG 4.41Å; K352-Y372 PolarHBondContact NZ-OH 3.21Å; K352-C377 HydrophobicContact CB-CB 4.04Å; K352-C377 WeakPolarHBondContact CB-O 3.45Å; K352-C377 WeakPolarHBondContact O-CB 3.27Å |
| 353 | G | 75.4 | Confident | 61.7 | Low | 14 Ų | 14 | 78 Ų | 78 | 14% | 0.144 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 177.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | C349 E367 | C349-G353 WeakPolarHBondContact CB-O 3.14Å; C349-G353 PolarHBondContact O-N 3.03Å; G353-E367 CarbonylContact C-O 3.6Å; G353-E367 WeakPolarHBondContact CA-O 3.09Å |
| 354 | K | 79.2 | Confident | 62.7 | Low | 125 Ų | 125 | 74.8 Ų | 74.8 | 54% | 0.543 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.8 | -172.5 | 168.5 | 178.9 | 153.5 | -127.6 | 0 | 109.9 | V356 E367 | K354-V356 HydrophobicContact CG-CG2 4.4Å; K354-E367 HydrophobicContact CB-CB 4.41Å; K354-E367 PolarHBondContact N-O 2.83Å; K354-E367 IonicContact NZ-OE2 3.11Å; K354-E367 PolarHBondContact NZ-OE2 2.96Å; K354-E367 PolarHBondContact O-N 3.12Å |
| 355 | C | 73.6 | Confident | 64.1 | Low | 17 Ų | 17 | 70.8 Ų | 70.8 | 12% | 0.115 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 130.6 | 175.4 | -172.7 | 0 | 0 | 0 | 0 | 110.4 | C337 D346 | C337-C355 HydrophobicContact CB-CB 3.89Å; C337-C355 WeakPolarHBondContact CB-SG 3.3Å; C337-C355 WeakPolarHBondContact SG-CB 3.42Å; C337-C355 CovalentContact SG-SG 2.04Å; C337-C355 PolarHBondContact SG-SG 3.44Å; D346-C355 WeakPolarHBondContact OD2-CB 3.34Å |
| 356 | V | 71.2 | Confident | 65.6 | Low | 38 Ų | 38 | 68 Ų | 68 | 23% | 0.23 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124.5 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | K354 F364 F365 E367 | K354-V356 HydrophobicContact CG-CG2 4.4Å; V356-F364 WeakPolarHBondContact O-CA 3Å; V356-F365 HydrophobicContact CB-CD1 4.05Å; V356-F365 HydrophobicContact CB-CE1 3.57Å; V356-F365 HydrophobicContact CB-CE2 4.2Å; V356-F365 HydrophobicContact CB-CZ 3.66Å; V356-F365 HydrophobicContact CG1-CD1 4.34Å; V356-F365 HydrophobicContact CG1-CE1 3.5Å; V356-F365 VanDerWaalsContact CG1-CE1 3.5Å; V356-F365 HydrophobicContact CG1-CZ 3.7Å; V356-F365 HydrophobicContact CG2-CE2 4.44Å; V356-F365 HydrophobicContact CG2-CZ 4.17Å; V356-F365 PolarHBondContact N-O 3.38Å; V356-F365 WeakPolarHBondContact O-CD1 3.31Å; V356-F365 PolarHBondContact O-N 2.81Å; V356-E367 HydrophobicContact CG2-CB 4.4Å |
| 357 | T | 66 | Low | 66.8 | Low | 68 Ų | 68 | 70.4 Ų | 70.4 | 42% | 0.417 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 134.8 | 168.8 | 41.5 | 0 | 0 | 0 | 0 | 110.7 | C337 F364 | C337-T357 HydrophobicContact CB-CG2 4.46Å; T357-F364 HydrophobicContact CG2-CB 4.27Å |
| 358 | Q | 58.6 | Low | 68 | Low | 83 Ų | 83 | 67.9 Ų | 67.9 | 39% | 0.388 | 38% | 0.377 | S | S | . | . | trans | -96 | 148.8 | 168.7 | -58 | -164.2 | 28.1 | 0 | 0 | 110.5 | S360 E361 F365 | Q358-S360 PolarHBondContact O-N 2.82Å; Q358-E361 HydrophobicContact CB-CB 4.48Å; Q358-E361 HydrophobicContact CB-CG 4.43Å; Q358-F365 HydrophobicContact CG-CD1 4.11Å; Q358-F365 HydrophobicContact CG-CE1 3.8Å | ||
| 359 | L | 53.6 | Low | 68.7 | Low | 173 Ų | 173 | 69.5 Ų | 69.5 | 91% | 0.906 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -18.3 | -178.3 | -78.2 | 78.4 | 0 | 0 | 0 | 113.3 | ||
| 360 | S | 52.5 | Low | 68.9 | Low | 105 Ų | 105 | 76.5 Ų | 76.5 | 73% | 0.734 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -11.6 | -173.9 | 44.3 | 0 | 0 | 0 | 0 | 115.1 | Q358 | Q358-S360 PolarHBondContact O-N 2.82Š|
| 361 | E | 53.8 | Low | 69 | Low | 99 Ų | 99 | 74 Ų | 74 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | trans | -115.9 | 153.2 | -171.9 | -60.4 | -167.5 | 151.1 | 0 | 0 | 111.8 | Q358 T363 | Q358-E361 HydrophobicContact CB-CB 4.48Å; Q358-E361 HydrophobicContact CB-CG 4.43Å; E361-T363 PolarHBondContact O-N 2.83Å | ||
| 362 | S | 53.9 | Low | 69.3 | Low | 92 Ų | 92 | 76.3 Ų | 76.3 | 64% | 0.643 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -86.1 | 17 | 178.5 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 363 | T | 55.9 | Low | 69.3 | Low | 79 Ų | 79 | 76.1 Ų | 76.1 | 49% | 0.485 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -143.6 | 162.7 | -167.4 | 39.2 | 0 | 0 | 0 | 0 | 111.6 | E361 | E361-T363 PolarHBondContact O-N 2.83Š|
| 364 | F | 66.6 | Low | 69.1 | Low | 55 Ų | 55 | 76.9 Ų | 76.9 | 24% | 0.241 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 162.3 | 167.3 | 67.5 | -90.3 | 0 | 0 | 0 | 110.2 | Q348 V356 T357 | Q348-F364 HydrophobicContact CB-CE2 3.77Å; Q348-F364 HydrophobicContact CB-CZ 3.79Å; Q348-F364 HydrophobicContact CG-CE1 4.43Å; Q348-F364 HydrophobicContact CG-CE2 4.32Å; Q348-F364 HydrophobicContact CG-CZ 3.87Å; V356-F364 WeakPolarHBondContact O-CA 3Å; T357-F364 HydrophobicContact CG2-CB 4.27Å |
| 365 | F | 71.8 | Confident | 68.8 | Low | 83 Ų | 83 | 77 Ų | 77 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 163.2 | 167.5 | 76.3 | -87 | 0 | 0 | 0 | 111.1 | V356 Q358 E367 | V356-F365 HydrophobicContact CB-CD1 4.05Å; V356-F365 HydrophobicContact CB-CE1 3.57Å; V356-F365 HydrophobicContact CB-CE2 4.2Å; V356-F365 HydrophobicContact CB-CZ 3.66Å; V356-F365 HydrophobicContact CG1-CD1 4.34Å; V356-F365 HydrophobicContact CG1-CE1 3.5Å; V356-F365 VanDerWaalsContact CG1-CE1 3.5Å; V356-F365 HydrophobicContact CG1-CZ 3.7Å; V356-F365 HydrophobicContact CG2-CE2 4.44Å; V356-F365 HydrophobicContact CG2-CZ 4.17Å; V356-F365 PolarHBondContact N-O 3.38Å; V356-F365 WeakPolarHBondContact O-CD1 3.31Å; V356-F365 PolarHBondContact O-N 2.81Å; Q358-F365 HydrophobicContact CG-CD1 4.11Å; Q358-F365 HydrophobicContact CG-CE1 3.8Å; F365-E367 HydrophobicContact CE2-CB 4.44Å |
| 366 | C | 78.4 | Confident | 68.9 | Low | 18 Ų | 18 | 80.5 Ų | 80.5 | 12% | 0.122 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.8 | 177.3 | -64.2 | 0 | 0 | 0 | 0 | 111 | C349 | C349-C366 WeakPolarHBondContact CA-SG 3.36Å; C349-C366 HydrophobicContact CB-CB 3.76Å; C349-C366 WeakPolarHBondContact CB-SG 3.47Å; C349-C366 WeakPolarHBondContact SG-CB 3.34Å; C349-C366 CovalentContact SG-SG 2.04Å; C349-C366 PolarHBondContact SG-SG 2.89Å |
| 367 | E | 80.2 | Confident | 69.2 | Low | 98 Ų | 98 | 78.8 Ų | 78.8 | 46% | 0.458 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 107.4 | 170.8 | 179.2 | 178.6 | -135.8 | 0 | 0 | 108.3 | G353 K354 V356 F365 | G353-E367 CarbonylContact C-O 3.6Å; G353-E367 WeakPolarHBondContact CA-O 3.09Å; K354-E367 HydrophobicContact CB-CB 4.41Å; K354-E367 PolarHBondContact N-O 2.83Å; K354-E367 IonicContact NZ-OE2 3.11Å; K354-E367 PolarHBondContact NZ-OE2 2.96Å; K354-E367 PolarHBondContact O-N 3.12Å; V356-E367 HydrophobicContact CG2-CB 4.4Å; F365-E367 HydrophobicContact CE2-CB 4.44Å |
| 368 | C | 82.5 | Confident | 69.6 | Low | 49 Ų | 49 | 80 Ų | 80 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 151.3 | -169.1 | -56.1 | 0 | 0 | 0 | 0 | 114.5 | C377 | C368-C377 WeakPolarHBondContact CA-SG 3.1Å; C368-C377 HydrophobicContact CB-CB 3.75Å; C368-C377 WeakPolarHBondContact CB-SG 3.05Å; C368-C377 WeakPolarHBondContact SG-CA 3.44Å; C368-C377 WeakPolarHBondContact SG-CB 3.32Å; C368-C377 CovalentContact SG-SG 2.04Å; C368-C377 PolarHBondContact SG-SG 3.29Å |
| 369 | E | 79.4 | Confident | 70.3 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 49% | 0.486 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 154.7 | 170.9 | -64.2 | -176.4 | 151.7 | 0 | 0 | 111.6 | K352 G371 Y372 | K352-E369 IonicContact NZ-OE2 3.66Å; K352-E369 PolarHBondContact O-N 3.2Å; E369-G371 PolarHBondContact O-N 3.19Å; E369-Y372 HydrophobicContact CB-CD2 4.27Å; E369-Y372 PolarHBondContact O-N 2.9Å |
| 370 | D | 77.3 | Confident | 71.3 | Confident | 148 Ų | 148 | 74.8 Ų | 74.8 | 79% | 0.791 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 125.4 | 179.1 | -82.9 | -52.7 | 0 | 0 | 0 | 112.2 | H384 | D370-H384 IonicContact OD1-CE1 3.76Š|
| 371 | G | 71.8 | Confident | 72.5 | Confident | 11 Ų | 11 | 72.5 Ų | 72.5 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.3 | -2.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | E369 L380 D381 | E369-G371 PolarHBondContact O-N 3.19Å; G371-L380 VanDerWaalsContact O-CD1 3.31Å; G371-L380 WeakPolarHBondContact O-CD1 3.43Å; G371-D381 PolarHBondContact O-N 2.05Å |
| 372 | Y | 78.4 | Confident | 73.6 | Confident | 74 Ų | 74 | 68.6 Ų | 68.6 | 29% | 0.29 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 148.9 | 175 | -69.4 | -88.7 | 0 | 0 | 0 | 112.8 | K352 E369 E379 L380 | K352-Y372 HydrophobicContact CB-CD1 4.02Å; K352-Y372 HydrophobicContact CB-CD2 4.37Å; K352-Y372 HydrophobicContact CB-CE1 4.3Å; K352-Y372 HydrophobicContact CB-CG 4.05Å; K352-Y372 HydrophobicContact CD-CD1 4.46Å; K352-Y372 HydrophobicContact CD-CD2 4.17Å; K352-Y372 HydrophobicContact CD-CE1 4.01Å; K352-Y372 HydrophobicContact CD-CE2 3.69Å; K352-Y372 VanDerWaalsContact CE-OH 3.23Å; K352-Y372 WeakPolarHBondContact CE-OH 3.48Å; K352-Y372 HydrophobicContact CG-CD1 4.06Å; K352-Y372 HydrophobicContact CG-CE1 3.82Å; K352-Y372 HydrophobicContact CG-CE2 4.33Å; K352-Y372 HydrophobicContact CG-CG 4.41Å; K352-Y372 PolarHBondContact NZ-OH 3.21Å; E369-Y372 HydrophobicContact CB-CD2 4.27Å; E369-Y372 PolarHBondContact O-N 2.9Å; Y372-E379 WeakPolarHBondContact CA-O 3.47Å; Y372-L380 HydrophobicContact CD1-CD1 3.9Å; Y372-L380 HydrophobicContact CD2-CD1 4.21Å; Y372-L380 HydrophobicContact CE1-CD1 3.51Å; Y372-L380 HydrophobicContact CE2-CD1 3.86Å; Y372-L380 HydrophobicContact CG-CD1 4.23Å; Y372-L380 VanDerWaalsContact CZ-CD1 3.49Å |
| 373 | T | 75.5 | Confident | 74.9 | Confident | 65 Ų | 65 | 65.2 Ų | 65.2 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 177.8 | -178.5 | -167.6 | 0 | 0 | 0 | 0 | 110.7 | C377 E378 E379 D381 | T373-C377 CarbonylContact O-C 3.38Å; T373-C377 WeakPolarHBondContact O-CA 3.02Å; T373-E378 PolarHBondContact O-N 2.04Å; T373-E378 VanDerWaalsContact O-N 3.16Å; T373-E379 HydrophobicContact CG2-CB 3.86Å; T373-E379 PolarHBondContact N-O 3.36Å; T373-E379 PolarHBondContact O-N 2.03Å; T373-D381 HydrophobicContact CG2-CB 4.31Å |
| 374 | G | 70.7 | Confident | 76.1 | Confident | 31 Ų | 31 | 65 Ų | 65 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 96.1 | 172.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F376 E378 | G374-F376 VanDerWaalsContact C-N 3.33Å; G374-E378 VanDerWaalsContact CA-OE2 3.27Å; G374-E378 WeakPolarHBondContact CA-OE2 3.02Å |
| 375 | I | 72.4 | Confident | 76.8 | Confident | 127 Ų | 127 | 70.3 Ų | 70.3 | 65% | 0.651 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -19 | -172.6 | 51.7 | 167.9 | 0 | 0 | 0 | 113.4 | E378 | I375-E378 WeakPolarHBondContact CG1-OE1 3.28Å; I375-E378 PolarHBondContact N-OE2 2.79Å |
| 376 | F | 75.7 | Confident | 77.2 | Confident | 91 Ų | 91 | 75.9 Ų | 75.9 | 40% | 0.399 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 16.8 | 175.4 | -56.3 | -61.4 | 0 | 0 | 0 | 111.6 | Q348 C349 S350 G374 E378 | Q348-F376 WeakPolarHBondContact O-CD1 3.27Å; C349-F376 CarbonylContact C-O 2.99Å; C349-F376 WeakPolarHBondContact CA-O 3.01Å; S350-F376 VanDerWaalsContact CB-O 3.25Å; S350-F376 WeakPolarHBondContact CB-O 3.15Å; S350-F376 PolarHBondContact N-O 3.25Å; S350-F376 PolarHBondContact OG-O 2.94Å; G374-F376 VanDerWaalsContact C-N 3.33Å; F376-E378 VanDerWaalsContact C-N 3.32Å; F376-E378 WeakPolarHBondContact CA-OE2 3.42Å; F376-E378 PolarHBondContact N-OE2 3.37Å |
| 377 | C | 78.7 | Confident | 77.5 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.007 | 38% | 0.38 | C | S | . | . | S | Bend | trans | 61 | 38.4 | -175.5 | -45.1 | 0 | 0 | 0 | 0 | 113.1 | K352 C368 T373 | K352-C377 HydrophobicContact CB-CB 4.04Å; K352-C377 WeakPolarHBondContact CB-O 3.45Å; K352-C377 WeakPolarHBondContact O-CB 3.27Å; C368-C377 WeakPolarHBondContact CA-SG 3.1Å; C368-C377 HydrophobicContact CB-CB 3.75Å; C368-C377 WeakPolarHBondContact CB-SG 3.05Å; C368-C377 WeakPolarHBondContact SG-CA 3.44Å; C368-C377 WeakPolarHBondContact SG-CB 3.32Å; C368-C377 CovalentContact SG-SG 2.04Å; C368-C377 PolarHBondContact SG-SG 3.29Å; T373-C377 CarbonylContact O-C 3.38Å; T373-C377 WeakPolarHBondContact O-CA 3.02Å |
| 378 | E | 73.5 | Confident | 77.9 | Confident | 94 Ų | 94 | 72 Ų | 72 | 44% | 0.439 | 36% | 0.364 | S | S | . | . | trans | -94 | -16.5 | -170.5 | 71.5 | -85.9 | -138.9 | 0 | 0 | 114.8 | T373 G374 I375 F376 | T373-E378 PolarHBondContact O-N 2.04Å; T373-E378 VanDerWaalsContact O-N 3.16Å; G374-E378 VanDerWaalsContact CA-OE2 3.27Å; G374-E378 WeakPolarHBondContact CA-OE2 3.02Å; I375-E378 WeakPolarHBondContact CG1-OE1 3.28Å; I375-E378 PolarHBondContact N-OE2 2.79Å; F376-E378 VanDerWaalsContact C-N 3.32Å; F376-E378 WeakPolarHBondContact CA-OE2 3.42Å; F376-E378 PolarHBondContact N-OE2 3.37Å | ||
| 379 | E | 73.1 | Confident | 78.1 | Confident | 77 Ų | 77 | 77.2 Ų | 77.2 | 36% | 0.36 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 149.9 | 176.4 | -62.4 | -170.8 | 146.5 | 0 | 0 | 110.6 | Y372 T373 R398 | Y372-E379 WeakPolarHBondContact CA-O 3.47Å; T373-E379 HydrophobicContact CG2-CB 3.86Å; T373-E379 PolarHBondContact N-O 3.36Å; T373-E379 PolarHBondContact O-N 2.03Å; E379-R398 WeakPolarHBondContact OE1-CD 3.42Å |
| 380 | L | 75.3 | Confident | 78.3 | Confident | 70 Ų | 70 | 75.4 Ų | 75.4 | 37% | 0.366 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 123.9 | 175.1 | -169.9 | 86.7 | 0 | 0 | 0 | 109.5 | G371 Y372 A382 G403 | G371-L380 VanDerWaalsContact O-CD1 3.31Å; G371-L380 WeakPolarHBondContact O-CD1 3.43Å; Y372-L380 HydrophobicContact CD1-CD1 3.9Å; Y372-L380 HydrophobicContact CD2-CD1 4.21Å; Y372-L380 HydrophobicContact CE1-CD1 3.51Å; Y372-L380 HydrophobicContact CE2-CD1 3.86Å; Y372-L380 HydrophobicContact CG-CD1 4.23Å; Y372-L380 VanDerWaalsContact CZ-CD1 3.49Å; L380-A382 PolarHBondContact O-N 2.8Å; L380-A382 VanDerWaalsContact O-N 3.12Å; L380-G403 VanDerWaalsContact CD2-O 3.31Å; L380-G403 WeakPolarHBondContact CD2-O 3.47Å |
| 381 | D | 77.5 | Confident | 78.6 | Confident | 56 Ų | 56 | 75.3 Ų | 75.3 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | trans | -76.7 | 96.7 | 179.1 | 176.9 | 8.9 | 0 | 0 | 0 | 111.2 | G371 T373 C383 H384 | G371-D381 PolarHBondContact O-N 2.05Å; T373-D381 HydrophobicContact CG2-CB 4.31Å; D381-C383 PolarHBondContact O-N 3.22Å; D381-C383 VanDerWaalsContact O-N 3.16Å; D381-C383 VanDerWaalsContact OD1-CA 3.31Å; D381-C383 WeakPolarHBondContact OD1-CA 3.41Å; D381-C383 VanDerWaalsContact OD1-CB 3.27Å; D381-C383 WeakPolarHBondContact OD1-CB 3.33Å; D381-C383 PolarHBondContact OD1-N 3.14Å; D381-H384 HydrophobicContact CB-CB 4.16Å; D381-H384 VanDerWaalsContact O-CB 3.3Å; D381-H384 WeakPolarHBondContact O-CB 3.47Å; D381-H384 PolarHBondContact O-N 2.86Å; D381-H384 PolarHBondContact OD1-N 2.8Å; D381-H384 PolarHBondContact OD2-N 3.2Å | ||
| 382 | A | 77.6 | Confident | 79.2 | Confident | 17 Ų | 17 | 75.5 Ų | 75.5 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | L380 D396 F406 | L380-A382 PolarHBondContact O-N 2.8Å; L380-A382 VanDerWaalsContact O-N 3.12Å; A382-D396 WeakPolarHBondContact CB-OD1 3.44Å; A382-F406 HydrophobicContact CB-CB 4.11Å |
| 383 | C | 81.4 | Confident | 79.7 | Confident | 22 Ų | 22 | 76.3 Ų | 76.3 | 15% | 0.149 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -12.3 | 177 | -69.1 | 0 | 0 | 0 | 0 | 113.9 | D381 H385 R386 C394 | D381-C383 PolarHBondContact O-N 3.22Å; D381-C383 VanDerWaalsContact O-N 3.16Å; D381-C383 VanDerWaalsContact OD1-CA 3.31Å; D381-C383 WeakPolarHBondContact OD1-CA 3.41Å; D381-C383 VanDerWaalsContact OD1-CB 3.27Å; D381-C383 WeakPolarHBondContact OD1-CB 3.33Å; D381-C383 PolarHBondContact OD1-N 3.14Å; C383-H385 VanDerWaalsContact C-N 3.3Å; C383-H385 PolarHBondContact O-N 3.18Å; C383-R386 WeakPolarHBondContact O-CA 3.2Å; C383-R386 PolarHBondContact O-N 2.89Å; C383-C394 WeakPolarHBondContact CA-SG 3.22Å; C383-C394 HydrophobicContact CB-CB 3.75Å; C383-C394 WeakPolarHBondContact CB-SG 3.43Å; C383-C394 WeakPolarHBondContact SG-CB 3.47Å; C383-C394 CovalentContact SG-SG 2.04Å; C383-C394 PolarHBondContact SG-SG 2.77Å |
| 384 | H | 80.6 | Confident | 80.3 | Confident | 75 Ų | 75 | 74.8 Ų | 74.8 | 35% | 0.347 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -44 | -177.7 | 174.8 | 84.3 | 0 | 0 | 0 | 113.3 | D370 D381 R386 | D370-H384 IonicContact OD1-CE1 3.76Å; D381-H384 HydrophobicContact CB-CB 4.16Å; D381-H384 VanDerWaalsContact O-CB 3.3Å; D381-H384 WeakPolarHBondContact O-CB 3.47Å; D381-H384 PolarHBondContact O-N 2.86Å; D381-H384 PolarHBondContact OD1-N 2.8Å; D381-H384 PolarHBondContact OD2-N 3.2Å; H384-R386 PolarHBondContact O-N 3Å |
| 385 | H | 80.1 | Confident | 80.9 | Confident | 165 Ų | 165 | 76.4 Ų | 76.4 | 76% | 0.764 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 12.5 | 177.9 | -67.9 | -41.2 | 0 | 0 | 0 | 114.9 | C383 | C383-H385 VanDerWaalsContact C-N 3.3Å; C383-H385 PolarHBondContact O-N 3.18Å |
| 386 | R | 82 | Confident | 81.1 | Confident | 200 Ų | 200 | 72.9 Ų | 72.9 | 76% | 0.755 | 36% | 0.361 | S | S | * | . | trans | 51.6 | 59.9 | 177.7 | -52.2 | -177.5 | 71.9 | -173 | 2.6 | 113.1 | C383 H384 C388 | C383-R386 WeakPolarHBondContact O-CA 3.2Å; C383-R386 PolarHBondContact O-N 2.89Å; H384-R386 PolarHBondContact O-N 3Å; R386-C388 PolarHBondContact O-N 2.83Å; R386-C388 VanDerWaalsContact O-N 3.14Å | ||
| 387 | P | 83.6 | Confident | 81 | Confident | 17 Ų | 17 | 70.9 Ų | 70.9 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | trans | -69.3 | -10.8 | -171.2 | 29.7 | -37.7 | 0 | 0 | 0 | 115.4 | F406 R418 | P387-F406 HydrophobicContact CB-CD1 4.06Å; P387-F406 HydrophobicContact CB-CD2 4.05Å; P387-F406 HydrophobicContact CB-CE1 3.88Å; P387-F406 HydrophobicContact CB-CE2 3.88Å; P387-F406 HydrophobicContact CB-CG 4.19Å; P387-F406 HydrophobicContact CB-CZ 3.83Å; P387-F406 HydrophobicContact CG-CB 4.31Å; P387-F406 HydrophobicContact CG-CD1 3.83Å; P387-F406 HydrophobicContact CG-CD2 3.66Å; P387-F406 HydrophobicContact CG-CE1 4.18Å; P387-F406 HydrophobicContact CG-CE2 4.02Å; P387-F406 HydrophobicContact CG-CG 3.6Å; P387-F406 HydrophobicContact CG-CZ 4.3Å; P387-R418 PolarHBondContact O-NH1 2.03Å | ||
| 388 | C | 89 | Confident | 80.2 | Confident | 19 Ų | 19 | 80.2 Ų | 80.2 | 13% | 0.128 | 39% | 0.391 | C | S | . | . | trans | -96.3 | 136.9 | -178 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | R386 A392 C394 C408 | R386-C388 PolarHBondContact O-N 2.83Å; R386-C388 VanDerWaalsContact O-N 3.14Å; C388-A392 HydrophobicContact CB-CB 4.08Å; C388-C394 VanDerWaalsContact SG-CB 3.54Å; C388-C408 WeakPolarHBondContact CA-SG 3.42Å; C388-C408 HydrophobicContact CB-CB 3.78Å; C388-C408 WeakPolarHBondContact CB-SG 3.32Å; C388-C408 VanDerWaalsContact SG-CA 3.52Å; C388-C408 WeakPolarHBondContact SG-CB 3.04Å; C388-C408 CovalentContact SG-SG 2.03Å; C388-C408 PolarHBondContact SG-SG 2.75Å | ||
| 389 | W | 86.6 | Confident | 79.4 | Confident | 158 Ų | 158 | 82.2 Ų | 82.2 | 60% | 0.598 | 40% | 0.4 | S | S | * | . | trans | -95.7 | 173.5 | -176.1 | -70 | 54.1 | 0 | 0 | 0 | 111.6 | N391 A392 R418 Q420 | W389-N391 PolarHBondContact O-N 3.05Å; W389-N391 VanDerWaalsContact O-N 3.07Å; W389-A392 VanDerWaalsContact O-CB 3.25Å; W389-A392 WeakPolarHBondContact O-CB 3.47Å; W389-A392 PolarHBondContact O-N 2.8Å; W389-R418 WeakPolarHBondContact CB-O 3.5Å; W389-R418 PolarHBondContact N-O 3.23Å; W389-Q420 HydrophobicContact CB-CB 4.48Å; W389-Q420 HydrophobicContact CG-CB 4.38Å | ||
| 390 | N | 83 | Confident | 78.3 | Confident | 66 Ų | 66 | 82.5 Ų | 82.5 | 35% | 0.353 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.2 | 171.5 | -60.8 | -51.3 | 0 | 0 | 0 | 114.9 | A392 Y414 C419 | N390-A392 PolarHBondContact O-N 3.08Å; N390-Y414 HydrophobicContact CB-CD1 3.78Å; N390-Y414 HydrophobicContact CB-CD2 4.32Å; N390-Y414 HydrophobicContact CB-CE1 3.64Å; N390-Y414 HydrophobicContact CB-CE2 4.16Å; N390-Y414 HydrophobicContact CB-CG 4.11Å; N390-Y414 VanDerWaalsContact ND2-CD1 3.34Å; N390-Y414 WeakPolarHBondContact ND2-CD1 3.46Å; N390-Y414 VanDerWaalsContact ND2-CE1 3.3Å; N390-Y414 WeakPolarHBondContact ND2-CE1 3.02Å; N390-C419 PolarHBondContact ND2-O 3.06Å |
| 391 | N | 83.9 | Confident | 77.2 | Confident | 146 Ų | 146 | 83.3 Ų | 83.3 | 78% | 0.781 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 25.8 | -178 | -156.4 | 51.6 | 0 | 0 | 0 | 114.8 | W389 | W389-N391 PolarHBondContact O-N 3.05Å; W389-N391 VanDerWaalsContact O-N 3.07Å |
| 392 | A | 85.1 | Confident | 76.3 | Confident | 14 Ų | 14 | 89.6 Ų | 89.6 | 12% | 0.116 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 144 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | C388 W389 N390 T409 C419 | C388-A392 HydrophobicContact CB-CB 4.08Å; W389-A392 VanDerWaalsContact O-CB 3.25Å; W389-A392 WeakPolarHBondContact O-CB 3.47Å; W389-A392 PolarHBondContact O-N 2.8Å; N390-A392 PolarHBondContact O-N 3.08Å; A392-T409 WeakPolarHBondContact CB-O 3.3Å; A392-C419 HydrophobicContact CB-CB 3.71Å; A392-C419 WeakPolarHBondContact CB-SG 3.28Å |
| 393 | T | 89.4 | Confident | 75.2 | Confident | 91 Ų | 91 | 90 Ų | 90 | 56% | 0.558 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 134.4 | 178.3 | -38.3 | 0 | 0 | 0 | 0 | 110.4 | C408 T409 | T393-C408 WeakPolarHBondContact O-CA 3.04Å; T393-T409 WeakPolarHBondContact CB-OG1 3.24Å; T393-T409 PolarHBondContact N-O 2.73Å; T393-T409 PolarHBondContact O-N 3.29Å |
| 394 | C | 87.3 | Confident | 74.3 | Confident | 33 Ų | 33 | 96.8 Ų | 96.8 | 22% | 0.223 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.1 | 172.3 | -171 | 0 | 0 | 0 | 0 | 110.1 | C383 C388 | C383-C394 WeakPolarHBondContact CA-SG 3.22Å; C383-C394 HydrophobicContact CB-CB 3.75Å; C383-C394 WeakPolarHBondContact CB-SG 3.43Å; C383-C394 WeakPolarHBondContact SG-CB 3.47Å; C383-C394 CovalentContact SG-SG 2.04Å; C383-C394 PolarHBondContact SG-SG 2.77Å; C388-C394 VanDerWaalsContact SG-CB 3.54Å |
| 395 | T | 83.9 | Confident | 73.9 | Confident | 66 Ų | 66 | 97.1 Ų | 97.1 | 41% | 0.405 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 121.2 | 171.4 | 57.7 | 0 | 0 | 0 | 0 | 109.6 | T407 | T395-T407 PolarHBondContact N-O 3.45Å; T395-T407 PolarHBondContact O-N 3.41Å; T395-T407 PolarHBondContact OG1-O 3.5Å |
| 396 | D | 76.8 | Confident | 73.8 | Confident | 53 Ų | 53 | 91.2 Ų | 91.2 | 28% | 0.283 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 137 | 176.9 | -179.4 | 46.7 | 0 | 0 | 0 | 111.4 | A382 | A382-D396 WeakPolarHBondContact CB-OD1 3.44Å |
| 397 | V | 72.6 | Confident | 73.9 | Confident | 49 Ų | 49 | 85 Ų | 85 | 30% | 0.297 | 47% | 0.473 | S | S | . | . | trans | -106.6 | 98.2 | -176 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | Q399 N405 T407 | V397-Q399 PolarHBondContact O-N 2.82Å; V397-N405 WeakPolarHBondContact CA-O 3.34Å; V397-N405 WeakPolarHBondContact CB-O 3.36Å; V397-N405 WeakPolarHBondContact CG2-O 3.43Å; V397-N405 PolarHBondContact N-O 2.9Å; V397-T407 WeakPolarHBondContact CG2-OG1 3.5Å | ||
| 398 | R | 62.8 | Low | 74.1 | Confident | 197 Ų | 197 | 85 Ų | 85 | 74% | 0.743 | 47% | 0.473 | S | S | * | . | trans | -60.7 | 89.5 | -178.4 | -67.5 | -174.1 | -114.9 | 168.1 | -5.2 | 113.2 | E379 | E379-R398 WeakPolarHBondContact OE1-CD 3.42Š| ||
| 399 | Q | 55.3 | Low | 74.1 | Confident | 135 Ų | 135 | 87.5 Ų | 87.5 | 63% | 0.631 | 49% | 0.488 | S | S | * | . | trans | -128.7 | 119.8 | 164.6 | -70.5 | -177 | -18.7 | 0 | 0 | 107.4 | V397 | V397-Q399 PolarHBondContact O-N 2.82Š| ||
| 400 | G | 51.4 | Low | 74.1 | Confident | 83 Ų | 83 | 82.3 Ų | 82.3 | 86% | 0.856 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -72.7 | 162.4 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E402 | G400-E402 PolarHBondContact O-N 2.77Š|
| 401 | G | 51.6 | Low | 74.1 | Confident | 87 Ų | 87 | 81.1 Ų | 81.1 | 90% | 0.897 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 89 | -50.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 402 | E | 57.4 | Low | 73.9 | Confident | 189 Ų | 189 | 79.7 Ų | 79.7 | 88% | 0.883 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -122.4 | 47 | -172.2 | -61.3 | -170.8 | 156.3 | 0 | 0 | 112.2 | G400 Q404 | G400-E402 PolarHBondContact O-N 2.77Å; E402-Q404 PolarHBondContact O-N 2.93Å |
| 403 | G | 56.2 | Low | 73.4 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 27% | 0.268 | 47% | 0.471 | S | S | . | . | trans | -63.1 | 103.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.7 | L380 | L380-G403 VanDerWaalsContact CD2-O 3.31Å; L380-G403 WeakPolarHBondContact CD2-O 3.47Å | ||
| 404 | Q | 61.5 | Low | 73.1 | Confident | 163 Ų | 163 | 78.2 Ų | 78.2 | 76% | 0.762 | 46% | 0.456 | S | S | * | . | trans | -138.6 | 15.9 | 155.9 | -64.6 | -168.1 | 4 | 0 | 0 | 111.4 | E402 F406 | E402-Q404 PolarHBondContact O-N 2.93Å; Q404-F406 WeakPolarHBondContact O-CD1 3.47Å; Q404-F406 PolarHBondContact O-N 3.29Å | ||
| 405 | N | 71.6 | Confident | 72.9 | Confident | 83 Ų | 83 | 80.6 Ų | 80.6 | 44% | 0.444 | 46% | 0.463 | S | S | . | . | trans | -96.6 | 83.9 | -161.7 | -151.4 | 14.3 | 0 | 0 | 0 | 110.8 | V397 | V397-N405 WeakPolarHBondContact CA-O 3.34Å; V397-N405 WeakPolarHBondContact CB-O 3.36Å; V397-N405 WeakPolarHBondContact CG2-O 3.43Å; V397-N405 PolarHBondContact N-O 2.9Å | ||
| 406 | F | 78.6 | Confident | 72.8 | Confident | 41 Ų | 41 | 79.1 Ų | 79.1 | 18% | 0.18 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 154.6 | 175 | 64 | -85.4 | 0 | 0 | 0 | 111 | A382 P387 Q404 C408 R418 | A382-F406 HydrophobicContact CB-CB 4.11Å; P387-F406 HydrophobicContact CB-CD1 4.06Å; P387-F406 HydrophobicContact CB-CD2 4.05Å; P387-F406 HydrophobicContact CB-CE1 3.88Å; P387-F406 HydrophobicContact CB-CE2 3.88Å; P387-F406 HydrophobicContact CB-CG 4.19Å; P387-F406 HydrophobicContact CB-CZ 3.83Å; P387-F406 HydrophobicContact CG-CB 4.31Å; P387-F406 HydrophobicContact CG-CD1 3.83Å; P387-F406 HydrophobicContact CG-CD2 3.66Å; P387-F406 HydrophobicContact CG-CE1 4.18Å; P387-F406 HydrophobicContact CG-CE2 4.02Å; P387-F406 HydrophobicContact CG-CG 3.6Å; P387-F406 HydrophobicContact CG-CZ 4.3Å; Q404-F406 WeakPolarHBondContact O-CD1 3.47Å; Q404-F406 PolarHBondContact O-N 3.29Å; F406-C408 VanDerWaalsContact CE2-SG 3.56Å; F406-R418 HydrophobicContact CE2-CG 4.31Å; F406-R418 HydrophobicContact CZ-CG 4.39Å; F406-R418 VanDerWaalsContact CZ-NH1 3.31Å |
| 407 | T | 83.6 | Confident | 73.1 | Confident | 69 Ų | 69 | 84.8 Ų | 84.8 | 42% | 0.423 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 134.3 | 166.6 | -63.6 | 0 | 0 | 0 | 0 | 109.5 | T395 V397 | T395-T407 PolarHBondContact N-O 3.45Å; T395-T407 PolarHBondContact O-N 3.41Å; T395-T407 PolarHBondContact OG1-O 3.5Å; V397-T407 WeakPolarHBondContact CG2-OG1 3.5Å |
| 408 | C | 88.6 | Confident | 73.7 | Confident | 16 Ų | 16 | 87.5 Ų | 87.5 | 11% | 0.108 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 123 | 173.3 | -61.3 | 0 | 0 | 0 | 0 | 110.4 | C388 T393 F406 | C388-C408 WeakPolarHBondContact CA-SG 3.42Å; C388-C408 HydrophobicContact CB-CB 3.78Å; C388-C408 WeakPolarHBondContact CB-SG 3.32Å; C388-C408 VanDerWaalsContact SG-CA 3.52Å; C388-C408 WeakPolarHBondContact SG-CB 3.04Å; C388-C408 CovalentContact SG-SG 2.03Å; C388-C408 PolarHBondContact SG-SG 2.75Å; T393-C408 WeakPolarHBondContact O-CA 3.04Å; F406-C408 VanDerWaalsContact CE2-SG 3.56Å |
| 409 | T | 88.3 | Confident | 74.9 | Confident | 72 Ų | 72 | 78.1 Ų | 78.1 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 109.1 | 172 | 64.1 | 0 | 0 | 0 | 0 | 109.7 | A392 T393 | A392-T409 WeakPolarHBondContact CB-O 3.3Å; T393-T409 WeakPolarHBondContact CB-OG1 3.24Å; T393-T409 PolarHBondContact N-O 2.73Å; T393-T409 PolarHBondContact O-N 3.29Å |
| 410 | C | 86.8 | Confident | 76.3 | Confident | 50 Ų | 50 | 76 Ų | 76 | 34% | 0.338 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 139.9 | -171.7 | -52.7 | 0 | 0 | 0 | 0 | 113.4 | Y414 C419 | C410-Y414 WeakPolarHBondContact CB-O 3.37Å; C410-C419 WeakPolarHBondContact CA-SG 3.49Å; C410-C419 HydrophobicContact CB-CB 3.67Å; C410-C419 WeakPolarHBondContact CB-SG 3.38Å; C410-C419 PolarHBondContact N-SG 3.03Å; C410-C419 WeakPolarHBondContact SG-CA 3.25Å; C410-C419 WeakPolarHBondContact SG-CB 3.5Å; C410-C419 CovalentContact SG-SG 2.04Å; C410-C419 PolarHBondContact SG-SG 2.86Å |
| 411 | P | 83.9 | Confident | 77.7 | Confident | 40 Ų | 40 | 76.7 Ų | 76.7 | 26% | 0.26 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 161 | 170.6 | 29.1 | -31.6 | 0 | 0 | 0 | 110.9 | G413 Y414 | P411-G413 PolarHBondContact O-N 3.27Å; P411-Y414 HydrophobicContact CG-CD2 3.88Å; P411-Y414 PolarHBondContact O-N 3.1Å; P411-Y414 VanDerWaalsContact O-N 3.16Å |
| 412 | P | 80.1 | Confident | 78.9 | Confident | 117 Ų | 117 | 76.8 Ų | 76.8 | 76% | 0.76 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 134.6 | -179.8 | -27.5 | 35.6 | 0 | 0 | 0 | 112.9 | ||
| 413 | G | 74.4 | Confident | 80.1 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 12% | 0.124 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | -1.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | P411 L422 V423 | P411-G413 PolarHBondContact O-N 3.27Å; G413-L422 WeakPolarHBondContact O-CA 3.02Å; G413-L422 WeakPolarHBondContact O-CD1 3.45Å; G413-V423 PolarHBondContact O-N 2.04Å |
| 414 | Y | 83.2 | Confident | 81.2 | Confident | 62 Ų | 62 | 71.8 Ų | 71.8 | 24% | 0.243 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 147.9 | 177.4 | -67.7 | -87.6 | 0 | 0 | 0 | 113.6 | N390 C410 P411 M421 L422 L441 | N390-Y414 HydrophobicContact CB-CD1 3.78Å; N390-Y414 HydrophobicContact CB-CD2 4.32Å; N390-Y414 HydrophobicContact CB-CE1 3.64Å; N390-Y414 HydrophobicContact CB-CE2 4.16Å; N390-Y414 HydrophobicContact CB-CG 4.11Å; N390-Y414 VanDerWaalsContact ND2-CD1 3.34Å; N390-Y414 WeakPolarHBondContact ND2-CD1 3.46Å; N390-Y414 VanDerWaalsContact ND2-CE1 3.3Å; N390-Y414 WeakPolarHBondContact ND2-CE1 3.02Å; C410-Y414 WeakPolarHBondContact CB-O 3.37Å; P411-Y414 HydrophobicContact CG-CD2 3.88Å; P411-Y414 PolarHBondContact O-N 3.1Å; P411-Y414 VanDerWaalsContact O-N 3.16Å; Y414-M421 CarbonylContact C-O 3.54Å; Y414-M421 VanDerWaalsContact CA-O 3.25Å; Y414-M421 WeakPolarHBondContact CA-O 3.32Å; Y414-M421 WeakPolarHBondContact CD1-O 3.42Å; Y414-L422 HydrophobicContact CD1-CD1 4.47Å; Y414-L422 HydrophobicContact CE1-CD1 4.12Å; Y414-L441 HydrophobicContact CD2-CD2 4.06Å; Y414-L441 HydrophobicContact CE2-CD2 3.34Å |
| 415 | E | 83 | Confident | 82.1 | Confident | 82 Ų | 82 | 66.4 Ų | 66.4 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 175.7 | -177.8 | 67 | 179.8 | -174.7 | 0 | 0 | 113.3 | C419 Q420 M421 V423 | E415-C419 CarbonylContact O-C 3.32Å; E415-C419 VanDerWaalsContact O-C 3.32Å; E415-C419 WeakPolarHBondContact O-CA 3.28Å; E415-Q420 PolarHBondContact O-N 2.96Å; E415-M421 HydrophobicContact CG-CB 3.8Å; E415-M421 HydrophobicContact CG-CE 4.4Å; E415-M421 PolarHBondContact N-O 3.45Å; E415-M421 PolarHBondContact O-N 3.21Å; E415-V423 HydrophobicContact CB-CG2 3.92Å; E415-V423 HydrophobicContact CG-CG2 3.95Å |
| 416 | G | 81.9 | Confident | 82.8 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 36% | 0.361 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 90.8 | 160.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R418 C419 | G416-R418 PolarHBondContact O-N 2.91Å; G416-C419 PolarHBondContact O-N 2.9Å |
| 417 | E | 81.6 | Confident | 83 | Confident | 173 Ų | 173 | 68.2 Ų | 68.2 | 81% | 0.808 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -24.1 | -172.1 | -60.5 | -179.9 | 151.4 | 0 | 0 | 115 | ||
| 418 | R | 85.9 | Confident | 82.9 | Confident | 106 Ų | 106 | 69.1 Ų | 69.1 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 13.7 | 175.9 | -59.1 | 176.4 | -173.7 | -96.4 | -2.1 | 112 | P387 W389 F406 G416 Q420 | P387-R418 PolarHBondContact O-NH1 2.03Å; W389-R418 WeakPolarHBondContact CB-O 3.5Å; W389-R418 PolarHBondContact N-O 3.23Å; F406-R418 HydrophobicContact CE2-CG 4.31Å; F406-R418 HydrophobicContact CZ-CG 4.39Å; F406-R418 VanDerWaalsContact CZ-NH1 3.31Å; G416-R418 PolarHBondContact O-N 2.91Å; R418-Q420 PolarHBondContact O-N 3.15Å |
| 419 | C | 87.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 41% | 0.407 | C | S | . | . | S | Bend | trans | 59.3 | 31 | -176.1 | -47.1 | 0 | 0 | 0 | 0 | 113.6 | N390 A392 C410 E415 G416 | N390-C419 PolarHBondContact ND2-O 3.06Å; A392-C419 HydrophobicContact CB-CB 3.71Å; A392-C419 WeakPolarHBondContact CB-SG 3.28Å; C410-C419 WeakPolarHBondContact CA-SG 3.49Å; C410-C419 HydrophobicContact CB-CB 3.67Å; C410-C419 WeakPolarHBondContact CB-SG 3.38Å; C410-C419 PolarHBondContact N-SG 3.03Å; C410-C419 WeakPolarHBondContact SG-CA 3.25Å; C410-C419 WeakPolarHBondContact SG-CB 3.5Å; C410-C419 CovalentContact SG-SG 2.04Å; C410-C419 PolarHBondContact SG-SG 2.86Å; E415-C419 CarbonylContact O-C 3.32Å; E415-C419 VanDerWaalsContact O-C 3.32Å; E415-C419 WeakPolarHBondContact O-CA 3.28Å; G416-C419 PolarHBondContact O-N 2.9Å |
| 420 | Q | 85.1 | Confident | 82.7 | Confident | 89 Ų | 89 | 73.2 Ų | 73.2 | 42% | 0.416 | 39% | 0.393 | S | S | . | . | trans | -84.9 | -13.5 | -171.7 | 75.3 | -76.5 | 0.3 | 0 | 0 | 114.6 | W389 E415 R418 | W389-Q420 HydrophobicContact CB-CB 4.48Å; W389-Q420 HydrophobicContact CG-CB 4.38Å; E415-Q420 PolarHBondContact O-N 2.96Å; R418-Q420 PolarHBondContact O-N 3.15Å | ||
| 421 | M | 80.9 | Confident | 82.9 | Confident | 99 Ų | 99 | 71.8 Ų | 71.8 | 49% | 0.488 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 148.6 | 179.2 | -73.7 | 167.7 | 53 | 0 | 0 | 111.1 | Y414 E415 | Y414-M421 CarbonylContact C-O 3.54Å; Y414-M421 VanDerWaalsContact CA-O 3.25Å; Y414-M421 WeakPolarHBondContact CA-O 3.32Å; Y414-M421 WeakPolarHBondContact CD1-O 3.42Å; E415-M421 HydrophobicContact CG-CB 3.8Å; E415-M421 HydrophobicContact CG-CE 4.4Å; E415-M421 PolarHBondContact N-O 3.45Å; E415-M421 PolarHBondContact O-N 3.21Å |
| 422 | L | 77.4 | Confident | 83 | Confident | 88 Ų | 88 | 74.7 Ų | 74.7 | 46% | 0.461 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 132.6 | 168.5 | -172.5 | 82.2 | 0 | 0 | 0 | 108.7 | G413 Y414 D424 L441 | G413-L422 WeakPolarHBondContact O-CA 3.02Å; G413-L422 WeakPolarHBondContact O-CD1 3.45Å; Y414-L422 HydrophobicContact CD1-CD1 4.47Å; Y414-L422 HydrophobicContact CE1-CD1 4.12Å; L422-D424 PolarHBondContact O-N 2.9Å; L422-L441 HydrophobicContact CD1-CD2 3.49Å; L422-L441 VanDerWaalsContact CD1-CD2 3.49Å; L422-L441 HydrophobicContact CD1-CG 4.21Å |
| 423 | V | 81.8 | Confident | 83.3 | Confident | 38 Ų | 38 | 72.9 Ų | 72.9 | 23% | 0.23 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 126.3 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 110 | G413 E415 H425 S439 | G413-V423 PolarHBondContact O-N 2.04Å; E415-V423 HydrophobicContact CB-CG2 3.92Å; E415-V423 HydrophobicContact CG-CG2 3.95Å; V423-H425 PolarHBondContact O-N 2.03Å; V423-H425 PolarHBondContact O-ND1 3.3Å; V423-S439 PolarHBondContact O-OG 3.11Å |
| 424 | D | 80.3 | Confident | 83.6 | Confident | 73 Ų | 73 | 75.8 Ų | 75.8 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | trans | -89.2 | 94.1 | 171.4 | -173.4 | 6.4 | 0 | 0 | 0 | 111.7 | L422 C426 L427 | L422-D424 PolarHBondContact O-N 2.9Å; D424-C426 PolarHBondContact O-N 2.89Å; D424-C426 VanDerWaalsContact OD1-CB 3.29Å; D424-C426 WeakPolarHBondContact OD1-CB 3.04Å; D424-C426 PolarHBondContact OD1-N 2.9Å; D424-L427 HydrophobicContact CB-CD1 4.18Å; D424-L427 HydrophobicContact CB-CG 4.12Å | ||
| 425 | H | 80.5 | Confident | 83.8 | Confident | 49 Ų | 49 | 73.6 Ų | 73.6 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -65.8 | -18.8 | 177 | -57.1 | 93.1 | 0 | 0 | 0 | 113.4 | V423 S428 S439 S440 P444 | V423-H425 PolarHBondContact O-N 2.03Å; V423-H425 PolarHBondContact O-ND1 3.3Å; H425-S428 PolarHBondContact O-OG 2.89Å; H425-S439 PolarHBondContact N-OG 2.99Å; H425-S439 VanDerWaalsContact N-OG 3.16Å; H425-S439 PolarHBondContact ND1-OG 3.1Å; H425-S440 PolarHBondContact CE1-O 2.82Å; H425-S440 PolarHBondContact ND1-O 2.97Å; H425-P444 HydrophobicContact CB-CB 3.67Å; H425-P444 HydrophobicContact CB-CG 3.98Å |
| 426 | C | 84.6 | Confident | 84.1 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -78.6 | -17.2 | -175 | -69.1 | 0 | 0 | 0 | 0 | 114.3 | D424 S428 Q429 C437 F438 S439 | D424-C426 PolarHBondContact O-N 2.89Å; D424-C426 VanDerWaalsContact OD1-CB 3.29Å; D424-C426 WeakPolarHBondContact OD1-CB 3.04Å; D424-C426 PolarHBondContact OD1-N 2.9Å; C426-S428 PolarHBondContact O-N 2.03Å; C426-S428 VanDerWaalsContact O-N 3.11Å; C426-Q429 PolarHBondContact O-N 2.04Å; C426-C437 WeakPolarHBondContact CA-SG 3.06Å; C426-C437 HydrophobicContact CB-CB 3.75Å; C426-C437 WeakPolarHBondContact CB-SG 3.46Å; C426-C437 WeakPolarHBondContact SG-CB 3.45Å; C426-C437 CovalentContact SG-SG 2.04Å; C426-C437 PolarHBondContact SG-SG 2.82Å; C426-F438 PolarHBondContact SG-N 3.23Å; C426-F438 VanDerWaalsContact SG-N 3.36Å; C426-S439 PolarHBondContact SG-N 3.15Å; C426-S439 VanDerWaalsContact SG-N 3.37Å |
| 427 | L | 83.6 | Confident | 84.5 | Confident | 139 Ų | 139 | 73.6 Ų | 73.6 | 73% | 0.728 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -56.2 | -26.4 | 172.4 | -63.4 | 176.4 | 0 | 0 | 0 | 112.7 | D424 Q429 | D424-L427 HydrophobicContact CB-CD1 4.18Å; D424-L427 HydrophobicContact CB-CG 4.12Å; L427-Q429 PolarHBondContact O-N 2.85Å |
| 428 | S | 82.1 | Confident | 84.7 | Confident | 88 Ų | 88 | 70.9 Ų | 70.9 | 62% | 0.615 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -74.4 | -5.7 | 176.4 | 68.4 | 0 | 0 | 0 | 0 | 114.9 | H425 C426 P430 | H425-S428 PolarHBondContact O-OG 2.89Å; C426-S428 PolarHBondContact O-N 2.03Å; C426-S428 VanDerWaalsContact O-N 3.11Å; S428-P430 WeakPolarHBondContact OG-CD 3.02Å |
| 429 | Q | 84.8 | Confident | 84.5 | Confident | 153 Ų | 153 | 67.5 Ų | 67.5 | 72% | 0.715 | 38% | 0.378 | S | S | * | . | trans | 46.4 | 56.3 | -172.6 | -57.9 | -175 | 17.1 | 0 | 0 | 113.3 | C426 L427 K432 | C426-Q429 PolarHBondContact O-N 2.04Å; L427-Q429 PolarHBondContact O-N 2.85Å; Q429-K432 PolarHBondContact O-NZ 2.9Å | ||
| 430 | P | 87.7 | Confident | 84 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 14% | 0.136 | 39% | 0.391 | C | S | . | . | trans | -70.6 | -40 | -173.4 | 28 | -30.4 | 0 | 0 | 0 | 111.5 | S428 K432 P444 T456 | S428-P430 WeakPolarHBondContact OG-CD 3.02Å; P430-K432 WeakPolarHBondContact O-CE 3.4Å; P430-K432 PolarHBondContact O-NZ 3.35Å; P430-P444 HydrophobicContact CB-CB 4.42Å; P430-P444 HydrophobicContact CB-CG 4.24Å; P430-P444 HydrophobicContact CG-CB 3.55Å; P430-P444 HydrophobicContact CG-CG 3.87Å; P430-T456 HydrophobicContact CB-CG2 4.48Å | ||
| 431 | C | 89.7 | Confident | 83.4 | Confident | 19 Ų | 19 | 69.9 Ų | 69.9 | 13% | 0.128 | 40% | 0.396 | C | S | . | . | trans | -66.3 | 139 | -179 | -48.1 | 0 | 0 | 0 | 0 | 112.4 | A435 C437 C446 | C431-A435 HydrophobicContact CB-CB 3.97Å; C431-C437 HydrophobicContact CB-CB 4.46Å; C431-C437 WeakPolarHBondContact SG-CB 3.48Å; C431-C437 VanDerWaalsContact SG-SG 3.69Å; C431-C446 WeakPolarHBondContact CA-SG 3.4Å; C431-C446 HydrophobicContact CB-CB 3.78Å; C431-C446 WeakPolarHBondContact CB-SG 3.32Å; C431-C446 WeakPolarHBondContact SG-CA 3.48Å; C431-C446 WeakPolarHBondContact SG-CB 3.45Å; C431-C446 CovalentContact SG-SG 2.03Å; C431-C446 PolarHBondContact SG-SG 3.48Å | ||
| 432 | K | 87.3 | Confident | 83 | Confident | 102 Ų | 102 | 70.2 Ų | 70.2 | 44% | 0.443 | 42% | 0.415 | S | S | . | . | trans | -113.9 | 176.2 | -178 | -52.8 | -54 | 171.1 | -152.5 | 0 | 111.4 | Q429 P430 G434 A435 T456 | Q429-K432 PolarHBondContact O-NZ 2.9Å; P430-K432 WeakPolarHBondContact O-CE 3.4Å; P430-K432 PolarHBondContact O-NZ 3.35Å; K432-G434 PolarHBondContact O-N 3.19Å; K432-A435 WeakPolarHBondContact O-CB 3.04Å; K432-A435 PolarHBondContact O-N 2.87Å; K432-T456 PolarHBondContact N-O 2.74Å | ||
| 433 | N | 85.3 | Confident | 83.1 | Confident | 79 Ų | 79 | 66.6 Ų | 66.6 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 27.9 | 173.2 | -58.2 | -47.1 | 0 | 0 | 0 | 115.5 | P449 Y452 C457 | N433-P449 WeakPolarHBondContact O-CG 3.36Å; N433-Y452 HydrophobicContact CB-CD1 3.75Å; N433-Y452 HydrophobicContact CB-CD2 4.36Å; N433-Y452 HydrophobicContact CB-CE1 3.69Å; N433-Y452 HydrophobicContact CB-CE2 4.31Å; N433-Y452 HydrophobicContact CB-CG 4.08Å; N433-Y452 VanDerWaalsContact ND2-CD1 3.33Å; N433-Y452 WeakPolarHBondContact ND2-CD1 3.31Å; N433-Y452 VanDerWaalsContact ND2-CE1 3.31Å; N433-Y452 WeakPolarHBondContact ND2-CE1 3.39Å; N433-C457 PolarHBondContact ND2-O 2.8Å |
| 434 | G | 82.6 | Confident | 83.1 | Confident | 73 Ų | 73 | 67.4 Ų | 67.4 | 75% | 0.753 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 7.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K432 | K432-G434 PolarHBondContact O-N 3.19Š|
| 435 | A | 86.9 | Confident | 83.4 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 13% | 0.132 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 143.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | C431 K432 Y447 C457 | C431-A435 HydrophobicContact CB-CB 3.97Å; K432-A435 WeakPolarHBondContact O-CB 3.04Å; K432-A435 PolarHBondContact O-N 2.87Å; A435-Y447 VanDerWaalsContact CA-O 3.29Å; A435-Y447 WeakPolarHBondContact CA-O 3.49Å; A435-Y447 VanDerWaalsContact CB-O 3.24Å; A435-Y447 WeakPolarHBondContact CB-O 3.48Å; A435-C457 HydrophobicContact CB-CB 3.65Å; A435-C457 WeakPolarHBondContact CB-SG 3.01Å |
| 436 | T | 89.7 | Confident | 83.9 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.2 | -178.6 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | F438 C446 Y447 | T436-F438 HydrophobicContact CG2-CD2 4.2Å; T436-F438 HydrophobicContact CG2-CE2 3.57Å; T436-F438 HydrophobicContact CG2-CZ 4.29Å; T436-C446 WeakPolarHBondContact O-CA 3.47Å; T436-Y447 PolarHBondContact N-O 3.32Å; T436-Y447 PolarHBondContact O-N 3.12Å |
| 437 | C | 89.6 | Confident | 84.1 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 24% | 0.243 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 138.8 | 179.3 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | C426 C431 | C426-C437 WeakPolarHBondContact CA-SG 3.06Å; C426-C437 HydrophobicContact CB-CB 3.75Å; C426-C437 WeakPolarHBondContact CB-SG 3.46Å; C426-C437 WeakPolarHBondContact SG-CB 3.45Å; C426-C437 CovalentContact SG-SG 2.04Å; C426-C437 PolarHBondContact SG-SG 2.82Å; C431-C437 HydrophobicContact CB-CB 4.46Å; C431-C437 WeakPolarHBondContact SG-CB 3.48Å; C431-C437 VanDerWaalsContact SG-SG 3.69Å |
| 438 | F | 86.5 | Confident | 84.2 | Confident | 115 Ų | 115 | 70.5 Ų | 70.5 | 50% | 0.504 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 132.6 | 165.4 | -70.6 | -101.5 | 0 | 0 | 0 | 109.8 | C426 T436 R445 Y447 | C426-F438 PolarHBondContact SG-N 3.23Å; C426-F438 VanDerWaalsContact SG-N 3.36Å; T436-F438 HydrophobicContact CG2-CD2 4.2Å; T436-F438 HydrophobicContact CG2-CE2 3.57Å; T436-F438 HydrophobicContact CG2-CZ 4.29Å; F438-R445 PolarHBondContact N-O 3.07Å; F438-R445 PolarHBondContact O-N 3.09Å; F438-Y447 AromaticContact CD2-CD2 3.49Å; F438-Y447 HydrophobicContact CD2-CD2 3.49Å; F438-Y447 VanDerWaalsContact CD2-CD2 3.49Å; F438-Y447 AromaticContact CD2-CE2 3.48Å; F438-Y447 HydrophobicContact CD2-CE2 3.48Å; F438-Y447 VanDerWaalsContact CD2-CE2 3.48Å; F438-Y447 AromaticContact CE2-CD2 3.63Å; F438-Y447 HydrophobicContact CE2-CD2 3.63Å; F438-Y447 AromaticContact CE2-CE2 3.78Å; F438-Y447 HydrophobicContact CE2-CE2 3.78Å; F438-Y447 HydrophobicContact CG-CE2 4.2Å |
| 439 | S | 80.9 | Confident | 84.3 | Confident | 35 Ų | 35 | 68.7 Ų | 68.7 | 25% | 0.245 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 140.9 | 172.4 | -167.2 | 0 | 0 | 0 | 0 | 110.3 | V423 H425 C426 | V423-S439 PolarHBondContact O-OG 3.11Å; H425-S439 PolarHBondContact N-OG 2.99Å; H425-S439 VanDerWaalsContact N-OG 3.16Å; H425-S439 PolarHBondContact ND1-OG 3.1Å; C426-S439 PolarHBondContact SG-N 3.15Å; C426-S439 VanDerWaalsContact SG-N 3.37Å |
| 440 | S | 77.7 | Confident | 83.9 | Confident | 40 Ų | 40 | 70.2 Ų | 70.2 | 28% | 0.28 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 165.2 | 174.6 | 81.2 | 0 | 0 | 0 | 0 | 110.9 | H425 A442 G443 | H425-S440 PolarHBondContact CE1-O 2.82Å; H425-S440 PolarHBondContact ND1-O 2.97Å; S440-A442 PolarHBondContact O-N 3.2Å; S440-A442 VanDerWaalsContact O-N 3.13Å; S440-A442 PolarHBondContact OG-N 3.04Å; S440-G443 WeakPolarHBondContact CB-O 3.02Å; S440-G443 PolarHBondContact N-O 3.1Å; S440-G443 PolarHBondContact O-N 2.91Å; S440-G443 PolarHBondContact OG-O 3.38Å |
| 441 | L | 72.7 | Confident | 83.2 | Confident | 100 Ų | 100 | 71.1 Ų | 71.1 | 52% | 0.524 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -20.2 | 175.6 | -69.5 | 167.5 | 0 | 0 | 0 | 113.7 | Y414 L422 | Y414-L441 HydrophobicContact CD2-CD2 4.06Å; Y414-L441 HydrophobicContact CE2-CD2 3.34Å; L422-L441 HydrophobicContact CD1-CD2 3.49Å; L422-L441 VanDerWaalsContact CD1-CD2 3.49Å; L422-L441 HydrophobicContact CD1-CG 4.21Å |
| 442 | A | 72.6 | Confident | 82.9 | Confident | 106 Ų | 106 | 74 Ų | 74 | 88% | 0.876 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 9.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S440 | S440-A442 PolarHBondContact O-N 3.2Å; S440-A442 VanDerWaalsContact O-N 3.13Å; S440-A442 PolarHBondContact OG-N 3.04Å |
| 443 | G | 77.6 | Confident | 82.6 | Confident | 11 Ų | 11 | 73.7 Ų | 73.7 | 11% | 0.113 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 109.1 | -168.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S440 | S440-G443 WeakPolarHBondContact CB-O 3.02Å; S440-G443 PolarHBondContact N-O 3.1Å; S440-G443 PolarHBondContact O-N 2.91Å; S440-G443 PolarHBondContact OG-O 3.38Å |
| 444 | P | 83.3 | Confident | 82.5 | Confident | 55 Ų | 55 | 71.4 Ų | 71.4 | 36% | 0.357 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 132.8 | 179.9 | 29.1 | -29.7 | 0 | 0 | 0 | 111.2 | H425 P430 | H425-P444 HydrophobicContact CB-CB 3.67Å; H425-P444 HydrophobicContact CB-CG 3.98Å; P430-P444 HydrophobicContact CB-CB 4.42Å; P430-P444 HydrophobicContact CB-CG 4.24Å; P430-P444 HydrophobicContact CG-CB 3.55Å; P430-P444 HydrophobicContact CG-CG 3.87Å |
| 445 | R | 86.9 | Confident | 82.6 | Confident | 154 Ų | 154 | 72.1 Ų | 72.1 | 58% | 0.581 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124 | 175.2 | -170.7 | 175.3 | -176.7 | 125.7 | 0.1 | 110 | F438 | F438-R445 PolarHBondContact N-O 3.07Å; F438-R445 PolarHBondContact O-N 3.09Å |
| 446 | C | 89.8 | Confident | 82.6 | Confident | 20 Ų | 20 | 73.7 Ų | 73.7 | 14% | 0.135 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 133 | 178.6 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | C431 T436 | C431-C446 WeakPolarHBondContact CA-SG 3.4Å; C431-C446 HydrophobicContact CB-CB 3.78Å; C431-C446 WeakPolarHBondContact CB-SG 3.32Å; C431-C446 WeakPolarHBondContact SG-CA 3.48Å; C431-C446 WeakPolarHBondContact SG-CB 3.45Å; C431-C446 CovalentContact SG-SG 2.03Å; C431-C446 PolarHBondContact SG-SG 3.48Å; T436-C446 WeakPolarHBondContact O-CA 3.47Å |
| 447 | Y | 88.4 | Confident | 82.5 | Confident | 128 Ų | 128 | 69.8 Ų | 69.8 | 50% | 0.502 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 111.6 | 165.2 | -68.4 | -77 | 0 | 0 | 0 | 109.2 | A435 T436 F438 | A435-Y447 VanDerWaalsContact CA-O 3.29Å; A435-Y447 WeakPolarHBondContact CA-O 3.49Å; A435-Y447 VanDerWaalsContact CB-O 3.24Å; A435-Y447 WeakPolarHBondContact CB-O 3.48Å; T436-Y447 PolarHBondContact N-O 3.32Å; T436-Y447 PolarHBondContact O-N 3.12Å; F438-Y447 AromaticContact CD2-CD2 3.49Å; F438-Y447 HydrophobicContact CD2-CD2 3.49Å; F438-Y447 VanDerWaalsContact CD2-CD2 3.49Å; F438-Y447 AromaticContact CD2-CE2 3.48Å; F438-Y447 HydrophobicContact CD2-CE2 3.48Å; F438-Y447 VanDerWaalsContact CD2-CE2 3.48Å; F438-Y447 AromaticContact CE2-CD2 3.63Å; F438-Y447 HydrophobicContact CE2-CD2 3.63Å; F438-Y447 AromaticContact CE2-CE2 3.78Å; F438-Y447 HydrophobicContact CE2-CE2 3.78Å; F438-Y447 HydrophobicContact CG-CE2 4.2Å |
| 448 | C | 87.3 | Confident | 82.3 | Confident | 49 Ų | 49 | 71.9 Ų | 71.9 | 33% | 0.331 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 141.7 | -175.6 | -49.9 | 0 | 0 | 0 | 0 | 111.7 | Y452 C457 | C448-Y452 VanDerWaalsContact CB-O 3.23Å; C448-Y452 WeakPolarHBondContact CB-O 3.37Å; C448-C457 WeakPolarHBondContact CA-SG 3.17Å; C448-C457 HydrophobicContact CB-CB 3.68Å; C448-C457 WeakPolarHBondContact CB-SG 3.01Å; C448-C457 PolarHBondContact N-SG 2.03Å; C448-C457 VanDerWaalsContact N-SG 3.42Å; C448-C457 VanDerWaalsContact SG-CA 3.5Å; C448-C457 WeakPolarHBondContact SG-CB 3.03Å; C448-C457 CovalentContact SG-SG 2.03Å; C448-C457 PolarHBondContact SG-SG 3.03Å |
| 449 | P | 82.9 | Confident | 82 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 33% | 0.325 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 164.7 | 166.4 | 32.1 | -33.5 | 0 | 0 | 0 | 110.5 | N433 G451 Y452 | N433-P449 WeakPolarHBondContact O-CG 3.36Å; P449-G451 PolarHBondContact O-N 3.06Å; P449-Y452 HydrophobicContact CG-CD2 4.05Å; P449-Y452 PolarHBondContact O-N 2.92Å |
| 450 | E | 77.5 | Confident | 81.8 | Confident | 185 Ų | 185 | 76.9 Ų | 76.9 | 86% | 0.864 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 137.8 | 179.6 | -63.4 | -175.8 | 157.9 | 0 | 0 | 112 | ||
| 451 | G | 72.6 | Confident | 81.6 | Confident | 39 Ų | 39 | 77.1 Ų | 77.1 | 40% | 0.402 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 6.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | P449 V461 | P449-G451 PolarHBondContact O-N 3.06Å; G451-V461 PolarHBondContact O-N 3.03Å |
| 452 | Y | 82.3 | Confident | 81.7 | Confident | 80 Ų | 80 | 77.2 Ų | 77.2 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.6 | 175.4 | -69.4 | -89.5 | 0 | 0 | 0 | 113.4 | N433 C448 P449 Q459 K460 | N433-Y452 HydrophobicContact CB-CD1 3.75Å; N433-Y452 HydrophobicContact CB-CD2 4.36Å; N433-Y452 HydrophobicContact CB-CE1 3.69Å; N433-Y452 HydrophobicContact CB-CE2 4.31Å; N433-Y452 HydrophobicContact CB-CG 4.08Å; N433-Y452 VanDerWaalsContact ND2-CD1 3.33Å; N433-Y452 WeakPolarHBondContact ND2-CD1 3.31Å; N433-Y452 VanDerWaalsContact ND2-CE1 3.31Å; N433-Y452 WeakPolarHBondContact ND2-CE1 3.39Å; C448-Y452 VanDerWaalsContact CB-O 3.23Å; C448-Y452 WeakPolarHBondContact CB-O 3.37Å; P449-Y452 HydrophobicContact CG-CD2 4.05Å; P449-Y452 PolarHBondContact O-N 2.92Å; Y452-Q459 CarbonylContact C-O 3.55Å; Y452-Q459 VanDerWaalsContact CA-O 3.31Å; Y452-Q459 WeakPolarHBondContact CA-O 3.39Å; Y452-K460 HydrophobicContact CD1-CB 4.37Å; Y452-K460 HydrophobicContact CE1-CB 4.05Å; Y452-K460 HydrophobicContact CE1-CG 4.36Å |
| 453 | Q | 82.5 | Confident | 81.7 | Confident | 96 Ų | 96 | 73.8 Ų | 73.8 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 178.1 | 179.7 | 73.6 | 177.8 | 23.8 | 0 | 0 | 111.7 | C457 E458 Q459 V461 | Q453-C457 CarbonylContact O-C 3.3Å; Q453-C457 VanDerWaalsContact O-C 3.3Å; Q453-C457 VanDerWaalsContact O-CA 3.3Å; Q453-C457 WeakPolarHBondContact O-CA 3.42Å; Q453-E458 PolarHBondContact O-N 3.33Å; Q453-Q459 HydrophobicContact CG-CB 3.7Å; Q453-Q459 PolarHBondContact N-O 2.84Å; Q453-Q459 WeakPolarHBondContact O-CB 3.27Å; Q453-Q459 PolarHBondContact O-N 2.84Å; Q453-V461 HydrophobicContact CB-CG2 3.83Å; Q453-V461 HydrophobicContact CG-CG2 3.87Å |
| 454 | G | 82.5 | Confident | 81.9 | Confident | 31 Ų | 31 | 74.4 Ų | 74.4 | 32% | 0.32 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 96.7 | 163.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | T456 C457 E458 | G454-T456 PolarHBondContact O-N 2.77Å; G454-C457 PolarHBondContact O-N 2.84Å; G454-E458 WeakPolarHBondContact CA-OE1 3.25Å |
| 455 | A | 83.9 | Confident | 81.7 | Confident | 88 Ų | 88 | 74.7 Ų | 74.7 | 73% | 0.727 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E458 | A455-E458 PolarHBondContact N-OE2 3.29Š|
| 456 | T | 87.8 | Confident | 81.3 | Confident | 48 Ų | 48 | 72 Ų | 72 | 29% | 0.294 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 13.5 | 173.7 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | P430 K432 G454 E458 | P430-T456 HydrophobicContact CB-CG2 4.48Å; K432-T456 PolarHBondContact N-O 2.74Å; G454-T456 PolarHBondContact O-N 2.77Å; T456-E458 VanDerWaalsContact CA-OE2 3.31Å; T456-E458 WeakPolarHBondContact CA-OE2 3.49Å; T456-E458 PolarHBondContact N-OE2 3.26Å; T456-E458 PolarHBondContact O-N 3.19Å; T456-E458 PolarHBondContact OG1-OE2 2.9Å |
| 457 | C | 87.5 | Confident | 80.8 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 44% | 0.439 | C | S | . | . | S | Bend | trans | 58.6 | 29.8 | -173.8 | -50 | 0 | 0 | 0 | 0 | 113.3 | N433 A435 C448 Q453 G454 | N433-C457 PolarHBondContact ND2-O 2.8Å; A435-C457 HydrophobicContact CB-CB 3.65Å; A435-C457 WeakPolarHBondContact CB-SG 3.01Å; C448-C457 WeakPolarHBondContact CA-SG 3.17Å; C448-C457 HydrophobicContact CB-CB 3.68Å; C448-C457 WeakPolarHBondContact CB-SG 3.01Å; C448-C457 PolarHBondContact N-SG 2.03Å; C448-C457 VanDerWaalsContact N-SG 3.42Å; C448-C457 VanDerWaalsContact SG-CA 3.5Å; C448-C457 WeakPolarHBondContact SG-CB 3.03Å; C448-C457 CovalentContact SG-SG 2.03Å; C448-C457 PolarHBondContact SG-SG 3.03Å; Q453-C457 CarbonylContact O-C 3.3Å; Q453-C457 VanDerWaalsContact O-C 3.3Å; Q453-C457 VanDerWaalsContact O-CA 3.3Å; Q453-C457 WeakPolarHBondContact O-CA 3.42Å; G454-C457 PolarHBondContact O-N 2.84Å |
| 458 | E | 85.1 | Confident | 80.7 | Confident | 80 Ų | 80 | 70.6 Ų | 70.6 | 37% | 0.374 | 42% | 0.422 | S | S | . | . | trans | -77.6 | -25.4 | -174.1 | 71.1 | -65.3 | 156.1 | 0 | 0 | 113.8 | Q453 G454 A455 T456 | Q453-E458 PolarHBondContact O-N 3.33Å; G454-E458 WeakPolarHBondContact CA-OE1 3.25Å; A455-E458 PolarHBondContact N-OE2 3.29Å; T456-E458 VanDerWaalsContact CA-OE2 3.31Å; T456-E458 WeakPolarHBondContact CA-OE2 3.49Å; T456-E458 PolarHBondContact N-OE2 3.26Å; T456-E458 PolarHBondContact O-N 3.19Å; T456-E458 PolarHBondContact OG1-OE2 2.9Å | ||
| 459 | Q | 81.3 | Confident | 80.8 | Confident | 92 Ų | 92 | 69 Ų | 69 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 126.8 | -177.7 | -61.6 | 165.8 | 42.3 | 0 | 0 | 109.7 | Y452 Q453 | Y452-Q459 CarbonylContact C-O 3.55Å; Y452-Q459 VanDerWaalsContact CA-O 3.31Å; Y452-Q459 WeakPolarHBondContact CA-O 3.39Å; Q453-Q459 HydrophobicContact CG-CB 3.7Å; Q453-Q459 PolarHBondContact N-O 2.84Å; Q453-Q459 WeakPolarHBondContact O-CB 3.27Å; Q453-Q459 PolarHBondContact O-N 2.84Å |
| 460 | K | 74.8 | Confident | 81 | Confident | 162 Ų | 162 | 71.5 Ų | 71.5 | 70% | 0.704 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.3 | 162.7 | -171.4 | -173.9 | 175.9 | -170.4 | 0 | 108.2 | Y452 D462 | Y452-K460 HydrophobicContact CD1-CB 4.37Å; Y452-K460 HydrophobicContact CE1-CB 4.05Å; Y452-K460 HydrophobicContact CE1-CG 4.36Å; K460-D462 PolarHBondContact O-N 3.07Å |
| 461 | V | 74.8 | Confident | 81.3 | Confident | 45 Ų | 45 | 66.1 Ų | 66.1 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 125.8 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 108.4 | G451 Q453 P463 | G451-V461 PolarHBondContact O-N 3.03Å; Q453-V461 HydrophobicContact CB-CG2 3.83Å; Q453-V461 HydrophobicContact CG-CG2 3.87Å; V461-P463 WeakPolarHBondContact O-CD 3.49Å |
| 462 | D | 73.6 | Confident | 82 | Confident | 102 Ų | 102 | 71.2 Ų | 71.2 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | trans | -84.3 | 108.6 | 160.9 | 178.6 | 3.4 | 0 | 0 | 0 | 107.9 | K460 C464 G465 | K460-D462 PolarHBondContact O-N 3.07Å; D462-C464 PolarHBondContact O-N 3.45Å; D462-C464 WeakPolarHBondContact OD1-CB 3.45Å; D462-C464 PolarHBondContact OD1-N 3.09Å; D462-G465 PolarHBondContact O-N 3.31Å | ||
| 463 | P | 73.2 | Confident | 82.2 | Confident | 34 Ų | 34 | 68 Ų | 68 | 22% | 0.221 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.5 | -177.9 | 34.8 | -38.9 | 0 | 0 | 0 | 112.4 | V461 P468 F485 | V461-P463 WeakPolarHBondContact O-CD 3.49Å; P463-P468 WeakPolarHBondContact O-CG 3.47Å; P463-F485 HydrophobicContact CB-CB 3.97Å; P463-F485 HydrophobicContact CB-CD1 4.11Å; P463-F485 HydrophobicContact CB-CG 4.48Å; P463-F485 HydrophobicContact CG-CB 4.03Å |
| 464 | C | 82.2 | Confident | 82.5 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 17% | 0.169 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -10.8 | 170.8 | -69.1 | 0 | 0 | 0 | 0 | 113.9 | D462 S466 S467 C475 Y476 | D462-C464 PolarHBondContact O-N 3.45Å; D462-C464 WeakPolarHBondContact OD1-CB 3.45Å; D462-C464 PolarHBondContact OD1-N 3.09Å; C464-S466 PolarHBondContact O-N 3.06Å; C464-S466 VanDerWaalsContact O-N 3.14Å; C464-S467 PolarHBondContact O-N 3.49Å; C464-C475 WeakPolarHBondContact CA-SG 3.21Å; C464-C475 HydrophobicContact CB-CB 3.7Å; C464-C475 WeakPolarHBondContact CB-SG 3.26Å; C464-C475 VanDerWaalsContact SG-C 3.51Å; C464-C475 WeakPolarHBondContact SG-CB 3.3Å; C464-C475 CovalentContact SG-SG 2.04Å; C464-C475 PolarHBondContact SG-SG 3.12Å; C464-Y476 VanDerWaalsContact SG-C 3.52Å; C464-Y476 PolarHBondContact SG-N 3.04Å; C464-Y476 VanDerWaalsContact SG-N 3.42Å |
| 465 | G | 78.4 | Confident | 82.8 | Confident | 60 Ų | 60 | 68.3 Ų | 68.3 | 62% | 0.619 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -21.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D462 | D462-G465 PolarHBondContact O-N 3.31Š|
| 466 | S | 78.2 | Confident | 82.9 | Confident | 97 Ų | 97 | 69.3 Ų | 69.3 | 68% | 0.678 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -0.1 | 174.3 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | C464 | C464-S466 PolarHBondContact O-N 3.06Å; C464-S466 VanDerWaalsContact O-N 3.14Å |
| 467 | S | 81.2 | Confident | 82.3 | Confident | 98 Ų | 98 | 69.3 Ų | 69.3 | 69% | 0.685 | 40% | 0.404 | S | S | * | . | trans | 51.6 | 56.9 | -170.6 | -55.8 | 0 | 0 | 0 | 0 | 113.9 | C464 C469 | C464-S467 PolarHBondContact O-N 3.49Å; S467-C469 PolarHBondContact O-N 3.07Å | ||
| 468 | P | 84.6 | Confident | 81.5 | Confident | 21 Ų | 21 | 77.6 Ų | 77.6 | 14% | 0.136 | 44% | 0.442 | C | S | . | . | trans | -71.6 | -1.6 | -173.1 | 33.5 | -39.8 | 0 | 0 | 0 | 115 | P463 F485 T497 | P463-P468 WeakPolarHBondContact O-CG 3.47Å; P468-F485 HydrophobicContact CB-CD2 4.31Å; P468-F485 HydrophobicContact CB-CE1 4.25Å; P468-F485 HydrophobicContact CB-CE2 3.74Å; P468-F485 HydrophobicContact CB-CZ 3.7Å; P468-F485 HydrophobicContact CG-CD1 4.34Å; P468-F485 HydrophobicContact CG-CD2 3.71Å; P468-F485 HydrophobicContact CG-CE1 4.29Å; P468-F485 HydrophobicContact CG-CE2 3.66Å; P468-F485 HydrophobicContact CG-CG 4.08Å; P468-F485 HydrophobicContact CG-CZ 3.97Å; P468-T497 WeakPolarHBondContact O-CB 3.3Å | ||
| 469 | C | 89.1 | Confident | 80.6 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 10% | 0.101 | 43% | 0.432 | C | S | . | . | trans | -97.4 | 112.1 | 179.9 | -53 | 0 | 0 | 0 | 0 | 110.4 | S467 G473 C475 C487 | S467-C469 PolarHBondContact O-N 3.07Å; C469-G473 VanDerWaalsContact CB-O 3.29Å; C469-G473 WeakPolarHBondContact CB-O 3.3Å; C469-C475 WeakPolarHBondContact SG-CA 3.27Å; C469-C475 WeakPolarHBondContact SG-CB 3.35Å; C469-C487 WeakPolarHBondContact CA-SG 3.42Å; C469-C487 HydrophobicContact CB-CB 3.78Å; C469-C487 WeakPolarHBondContact CB-SG 3.43Å; C469-C487 VanDerWaalsContact SG-CA 3.55Å; C469-C487 WeakPolarHBondContact SG-CB 3.44Å; C469-C487 CovalentContact SG-SG 2.03Å; C469-C487 PolarHBondContact SG-SG 3.07Å | ||
| 470 | H | 87.7 | Confident | 79.5 | Confident | 104 Ų | 104 | 76 Ų | 76 | 48% | 0.481 | 45% | 0.45 | S | S | . | . | trans | -75.8 | 173.5 | 177.6 | -61.3 | -85.2 | 0 | 0 | 0 | 111.9 | N472 G473 T497 A499 | H470-N472 PolarHBondContact O-N 3.2Å; H470-N472 VanDerWaalsContact O-N 3.12Å; H470-G473 PolarHBondContact O-N 2.82Å; H470-T497 PolarHBondContact CD2-O 2.83Å; H470-T497 PolarHBondContact N-O 2.99Å; H470-A499 HydrophobicContact CB-CB 4.33Å | ||
| 471 | N | 85.2 | Confident | 78.8 | Confident | 71 Ų | 71 | 71 Ų | 71 | 38% | 0.38 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 35.5 | 171.9 | -58.7 | -54 | 0 | 0 | 0 | 114.4 | G473 T490 F493 C498 | N471-G473 PolarHBondContact O-N 2.04Å; N471-T490 WeakPolarHBondContact O-CG2 3.04Å; N471-T490 PolarHBondContact O-OG1 3.29Å; N471-F493 HydrophobicContact CB-CD1 3.69Å; N471-F493 HydrophobicContact CB-CD2 3.84Å; N471-F493 HydrophobicContact CB-CE1 3.73Å; N471-F493 HydrophobicContact CB-CE2 3.89Å; N471-F493 HydrophobicContact CB-CG 3.74Å; N471-F493 HydrophobicContact CB-CZ 3.82Å; N471-F493 VanDerWaalsContact CG-CD1 3.46Å; N471-F493 WeakPolarHBondContact ND2-CD1 3.42Å; N471-F493 VanDerWaalsContact ND2-CE1 3.3Å; N471-F493 WeakPolarHBondContact ND2-CE1 3.36Å; N471-C498 PolarHBondContact ND2-O 3.1Å |
| 472 | N | 85.9 | Confident | 78.1 | Confident | 146 Ų | 146 | 75 Ų | 75 | 78% | 0.781 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 28.3 | -179.6 | -159.9 | 74.8 | 0 | 0 | 0 | 113.9 | H470 T490 | H470-N472 PolarHBondContact O-N 3.2Å; H470-N472 VanDerWaalsContact O-N 3.12Å; N472-T490 HydrophobicContact CB-CG2 4.37Å; N472-T490 VanDerWaalsContact O-CG2 3.31Å; N472-T490 WeakPolarHBondContact O-CG2 3.03Å |
| 473 | G | 87.2 | Confident | 77.5 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 13% | 0.134 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 148.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | C469 H470 N471 S488 | C469-G473 VanDerWaalsContact CB-O 3.29Å; C469-G473 WeakPolarHBondContact CB-O 3.3Å; H470-G473 PolarHBondContact O-N 2.82Å; N471-G473 PolarHBondContact O-N 2.04Å; G473-S488 CarbonylContact C-O 3.48Å; G473-S488 WeakPolarHBondContact CA-O 3.29Å |
| 474 | T | 89.1 | Confident | 77.5 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 60% | 0.601 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121.3 | -175.3 | -50.6 | 0 | 0 | 0 | 0 | 111 | S488 | T474-S488 PolarHBondContact N-O 2.84Å; T474-S488 PolarHBondContact O-N 2.03Å |
| 475 | C | 88.3 | Confident | 77.4 | Confident | 36 Ų | 36 | 75.1 Ų | 75.1 | 24% | 0.243 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 143.1 | 176.7 | -166.5 | 0 | 0 | 0 | 0 | 112.7 | C464 C469 | C464-C475 WeakPolarHBondContact CA-SG 3.21Å; C464-C475 HydrophobicContact CB-CB 3.7Å; C464-C475 WeakPolarHBondContact CB-SG 3.26Å; C464-C475 VanDerWaalsContact SG-C 3.51Å; C464-C475 WeakPolarHBondContact SG-CB 3.3Å; C464-C475 CovalentContact SG-SG 2.04Å; C464-C475 PolarHBondContact SG-SG 3.12Å; C469-C475 WeakPolarHBondContact SG-CA 3.27Å; C469-C475 WeakPolarHBondContact SG-CB 3.35Å |
| 476 | Y | 86.6 | Confident | 77.7 | Confident | 108 Ų | 108 | 72.6 Ų | 72.6 | 42% | 0.424 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 130.5 | 167.4 | 56.5 | -85.1 | 0 | 0 | 0 | 110.7 | C464 Q478 F485 G486 | C464-Y476 VanDerWaalsContact SG-C 3.52Å; C464-Y476 PolarHBondContact SG-N 3.04Å; C464-Y476 VanDerWaalsContact SG-N 3.42Å; Y476-Q478 PolarHBondContact O-N 2.73Å; Y476-F485 CarbonylContact O-C 3.56Å; Y476-F485 WeakPolarHBondContact O-CA 3.47Å; Y476-G486 VanDerWaalsContact CD1-O 3.31Å; Y476-G486 WeakPolarHBondContact CD1-O 3.18Å; Y476-G486 VanDerWaalsContact CE1-C 3.45Å; Y476-G486 PolarHBondContact N-O 3.39Å; Y476-G486 PolarHBondContact O-N 3.12Å |
| 477 | G | 75.3 | Confident | 78.2 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 50% | 0.495 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -77.2 | 41.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G484 | G477-G484 CarbonylContact C-O 3.56Š|
| 478 | Q | 70 | Confident | 78.5 | Confident | 175 Ų | 175 | 67.5 Ų | 67.5 | 82% | 0.818 | 41% | 0.413 | S | S | * | . | trans | -153.2 | 51.7 | -176.6 | -161.2 | 165.8 | -3.6 | 0 | 0 | 111.1 | Y476 G484 | Y476-Q478 PolarHBondContact O-N 2.73Å; Q478-G484 PolarHBondContact N-O 3.21Å | ||
| 479 | G | 66.7 | Low | 78.6 | Confident | 15 Ų | 15 | 68.7 Ų | 68.7 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | trans | -90.2 | 156.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114 | G484 | G479-G484 PolarHBondContact N-O 3.49Š| ||
| 480 | P | 57.6 | Low | 78.5 | Confident | 124 Ų | 124 | 70.2 Ų | 70.2 | 81% | 0.805 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -75.7 | 134.9 | 174.9 | 31.1 | -33.9 | 0 | 0 | 0 | 111.9 | ||
| 481 | G | 59.7 | Low | 78.1 | Confident | 56 Ų | 56 | 69 Ų | 69 | 58% | 0.577 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 104 | -174.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L483 | G481-L483 PolarHBondContact O-N 3.34Å; G481-L483 VanDerWaalsContact O-N 3.11Å |
| 482 | P | 59.6 | Low | 77.6 | Confident | 130 Ų | 130 | 66.1 Ų | 66.1 | 84% | 0.844 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -0.6 | -169.3 | 30.9 | -37.2 | 0 | 0 | 0 | 114.8 | ||
| 483 | L | 61.2 | Low | 77.5 | Confident | 96 Ų | 96 | 62 Ų | 62 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -20.1 | -176.7 | -64.8 | 174.5 | 0 | 0 | 0 | 113.6 | G481 F485 | G481-L483 PolarHBondContact O-N 3.34Å; G481-L483 VanDerWaalsContact O-N 3.11Å; L483-F485 HydrophobicContact CB-CD1 4.13Å; L483-F485 HydrophobicContact CB-CE1 3.9Å; L483-F485 HydrophobicContact CB-CZ 4.45Å; L483-F485 HydrophobicContact CD1-CZ 4.41Å; L483-F485 VanDerWaalsContact O-CD1 3.26Å; L483-F485 WeakPolarHBondContact O-CD1 3.48Å; L483-F485 PolarHBondContact O-N 2.79Å |
| 484 | G | 73.3 | Confident | 77.4 | Confident | 37 Ų | 37 | 64.3 Ų | 64.3 | 38% | 0.381 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 71.4 | -18.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | G477 Q478 G479 | G477-G484 CarbonylContact C-O 3.56Å; Q478-G484 PolarHBondContact N-O 3.21Å; G479-G484 PolarHBondContact N-O 3.49Å |
| 485 | F | 80.4 | Confident | 77 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 13% | 0.127 | 39% | 0.394 | C | S | . | . | trans | -113.2 | 159.9 | 170.7 | 69.6 | -86 | 0 | 0 | 0 | 112.1 | P463 P468 Y476 L483 T497 | P463-F485 HydrophobicContact CB-CB 3.97Å; P463-F485 HydrophobicContact CB-CD1 4.11Å; P463-F485 HydrophobicContact CB-CG 4.48Å; P463-F485 HydrophobicContact CG-CB 4.03Å; P468-F485 HydrophobicContact CB-CD2 4.31Å; P468-F485 HydrophobicContact CB-CE1 4.25Å; P468-F485 HydrophobicContact CB-CE2 3.74Å; P468-F485 HydrophobicContact CB-CZ 3.7Å; P468-F485 HydrophobicContact CG-CD1 4.34Å; P468-F485 HydrophobicContact CG-CD2 3.71Å; P468-F485 HydrophobicContact CG-CE1 4.29Å; P468-F485 HydrophobicContact CG-CE2 3.66Å; P468-F485 HydrophobicContact CG-CG 4.08Å; P468-F485 HydrophobicContact CG-CZ 3.97Å; Y476-F485 CarbonylContact O-C 3.56Å; Y476-F485 WeakPolarHBondContact O-CA 3.47Å; L483-F485 HydrophobicContact CB-CD1 4.13Å; L483-F485 HydrophobicContact CB-CE1 3.9Å; L483-F485 HydrophobicContact CB-CZ 4.45Å; L483-F485 HydrophobicContact CD1-CZ 4.41Å; L483-F485 VanDerWaalsContact O-CD1 3.26Å; L483-F485 WeakPolarHBondContact O-CD1 3.48Å; L483-F485 PolarHBondContact O-N 2.79Å; F485-T497 HydrophobicContact CE2-CG2 4.25Å; F485-T497 HydrophobicContact CZ-CG2 4.23Å | ||
| 486 | G | 85.2 | Confident | 76.7 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 7% | 0.072 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 158.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y476 | Y476-G486 VanDerWaalsContact CD1-O 3.31Å; Y476-G486 WeakPolarHBondContact CD1-O 3.18Å; Y476-G486 VanDerWaalsContact CE1-C 3.45Å; Y476-G486 PolarHBondContact N-O 3.39Å; Y476-G486 PolarHBondContact O-N 3.12Å |
| 487 | C | 88.2 | Confident | 76.7 | Confident | 18 Ų | 18 | 60 Ų | 60 | 12% | 0.122 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.3 | 176.4 | -64.8 | 0 | 0 | 0 | 0 | 110.2 | C469 P496 C498 | C469-C487 WeakPolarHBondContact CA-SG 3.42Å; C469-C487 HydrophobicContact CB-CB 3.78Å; C469-C487 WeakPolarHBondContact CB-SG 3.43Å; C469-C487 VanDerWaalsContact SG-CA 3.55Å; C469-C487 WeakPolarHBondContact SG-CB 3.44Å; C469-C487 CovalentContact SG-SG 2.03Å; C469-C487 PolarHBondContact SG-SG 3.07Å; C487-P496 WeakPolarHBondContact CB-O 3.31Å; C487-P496 PolarHBondContact SG-O 3.01Å; C487-P496 VanDerWaalsContact SG-O 3.39Å; C487-C498 WeakPolarHBondContact CB-SG 3.4Å |
| 488 | S | 88.1 | Confident | 77.3 | Confident | 70 Ų | 70 | 57.7 Ų | 57.7 | 49% | 0.49 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 113.7 | 168.6 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | G473 T474 | G473-S488 CarbonylContact C-O 3.48Å; G473-S488 WeakPolarHBondContact CA-O 3.29Å; T474-S488 PolarHBondContact N-O 2.84Å; T474-S488 PolarHBondContact O-N 2.03Å |
| 489 | C | 86.9 | Confident | 78.1 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 32% | 0.318 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 146.6 | -168.3 | -56.3 | 0 | 0 | 0 | 0 | 113.7 | F493 C498 | C489-F493 HydrophobicContact CB-CB 4.41Å; C489-F493 WeakPolarHBondContact CB-O 3.45Å; C489-C498 WeakPolarHBondContact CA-SG 3.46Å; C489-C498 HydrophobicContact CB-CB 3.75Å; C489-C498 WeakPolarHBondContact CB-SG 3.36Å; C489-C498 WeakPolarHBondContact SG-CA 3.02Å; C489-C498 WeakPolarHBondContact SG-CB 3.06Å; C489-C498 CovalentContact SG-SG 2.04Å; C489-C498 PolarHBondContact SG-SG 3.2Å |
| 490 | T | 85.4 | Confident | 78.8 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 29% | 0.288 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 152.3 | 170.1 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | N471 N472 G492 F493 | N471-T490 WeakPolarHBondContact O-CG2 3.04Å; N471-T490 PolarHBondContact O-OG1 3.29Å; N472-T490 HydrophobicContact CB-CG2 4.37Å; N472-T490 VanDerWaalsContact O-CG2 3.31Å; N472-T490 WeakPolarHBondContact O-CG2 3.03Å; T490-G492 PolarHBondContact O-N 3.22Å; T490-F493 PolarHBondContact O-N 3.06Å; T490-F493 VanDerWaalsContact OG1-CD2 3.26Å; T490-F493 WeakPolarHBondContact OG1-CD2 3.4Å |
| 491 | A | 80 | Confident | 79.8 | Confident | 77 Ų | 77 | 56.5 Ų | 56.5 | 64% | 0.636 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 126.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N520 | A491-N520 WeakPolarHBondContact CB-ND2 3.38Š|
| 492 | G | 75.6 | Confident | 80.6 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102 | -6.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T490 L501 V502 | T490-G492 PolarHBondContact O-N 3.22Å; G492-L501 WeakPolarHBondContact O-CD1 3.48Å; G492-V502 PolarHBondContact O-N 2.88Å |
| 493 | F | 83.8 | Confident | 81.5 | Confident | 59 Ų | 59 | 54 Ų | 54 | 26% | 0.259 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 154.9 | 179.6 | -61.6 | -84.7 | 0 | 0 | 0 | 113.5 | N471 C489 T490 C498 Q500 L501 | N471-F493 HydrophobicContact CB-CD1 3.69Å; N471-F493 HydrophobicContact CB-CD2 3.84Å; N471-F493 HydrophobicContact CB-CE1 3.73Å; N471-F493 HydrophobicContact CB-CE2 3.89Å; N471-F493 HydrophobicContact CB-CG 3.74Å; N471-F493 HydrophobicContact CB-CZ 3.82Å; N471-F493 VanDerWaalsContact CG-CD1 3.46Å; N471-F493 WeakPolarHBondContact ND2-CD1 3.42Å; N471-F493 VanDerWaalsContact ND2-CE1 3.3Å; N471-F493 WeakPolarHBondContact ND2-CE1 3.36Å; C489-F493 HydrophobicContact CB-CB 4.41Å; C489-F493 WeakPolarHBondContact CB-O 3.45Å; T490-F493 PolarHBondContact O-N 3.06Å; T490-F493 VanDerWaalsContact OG1-CD2 3.26Å; T490-F493 WeakPolarHBondContact OG1-CD2 3.4Å; F493-C498 HydrophobicContact CB-CB 4.48Å; F493-Q500 CarbonylContact C-O 3.49Å; F493-Q500 VanDerWaalsContact CA-O 3.27Å; F493-Q500 WeakPolarHBondContact CA-O 3.48Å; F493-L501 HydrophobicContact CD1-CD1 3.9Å; F493-L501 HydrophobicContact CE1-CD1 3.48Å; F493-L501 VanDerWaalsContact CE1-CD1 3.48Å; F493-L501 HydrophobicContact CZ-CD1 3.87Å |
| 494 | T | 84.5 | Confident | 82.4 | Confident | 63 Ų | 63 | 52.1 Ų | 52.1 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | -178.4 | -174.9 | -168.3 | 0 | 0 | 0 | 0 | 112 | C498 Q500 V502 | T494-C498 CarbonylContact O-C 3.45Å; T494-C498 VanDerWaalsContact O-CA 3.29Å; T494-C498 WeakPolarHBondContact O-CA 3.46Å; T494-Q500 HydrophobicContact CG2-CB 3.89Å; T494-Q500 PolarHBondContact N-O 3.39Å; T494-Q500 WeakPolarHBondContact O-CB 3.01Å; T494-Q500 PolarHBondContact O-N 2.9Å; T494-V502 HydrophobicContact CG2-CG2 4.08Å |
| 495 | G | 80.8 | Confident | 83 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 22% | 0.216 | 31% | 0.312 | C | S | . | . | S | Bend | trans | 82.9 | 166.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T497 C498 | G495-T497 PolarHBondContact O-N 2.87Å; G495-T497 VanDerWaalsContact O-N 3.09Å; G495-C498 PolarHBondContact O-N 2.85Å |
| 496 | P | 82.3 | Confident | 83.2 | Confident | 89 Ų | 89 | 53 Ų | 53 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.3 | -169.5 | 25.6 | -35.6 | 0 | 0 | 0 | 114.4 | C487 | C487-P496 WeakPolarHBondContact CB-O 3.31Å; C487-P496 PolarHBondContact SG-O 3.01Å; C487-P496 VanDerWaalsContact SG-O 3.39Å |
| 497 | T | 86.8 | Confident | 83 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 25% | 0.245 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 11.1 | 178.9 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | P468 H470 F485 G495 A499 | P468-T497 WeakPolarHBondContact O-CB 3.3Å; H470-T497 PolarHBondContact CD2-O 2.83Å; H470-T497 PolarHBondContact N-O 2.99Å; F485-T497 HydrophobicContact CE2-CG2 4.25Å; F485-T497 HydrophobicContact CZ-CG2 4.23Å; G495-T497 PolarHBondContact O-N 2.87Å; G495-T497 VanDerWaalsContact O-N 3.09Å; T497-A499 PolarHBondContact O-N 3.08Å |
| 498 | C | 87.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 40% | 0.397 | C | S | . | . | S | Bend | trans | 56.6 | 18.4 | -175.5 | -50 | 0 | 0 | 0 | 0 | 115.3 | N471 C487 C489 F493 T494 G495 | N471-C498 PolarHBondContact ND2-O 3.1Å; C487-C498 WeakPolarHBondContact CB-SG 3.4Å; C489-C498 WeakPolarHBondContact CA-SG 3.46Å; C489-C498 HydrophobicContact CB-CB 3.75Å; C489-C498 WeakPolarHBondContact CB-SG 3.36Å; C489-C498 WeakPolarHBondContact SG-CA 3.02Å; C489-C498 WeakPolarHBondContact SG-CB 3.06Å; C489-C498 CovalentContact SG-SG 2.04Å; C489-C498 PolarHBondContact SG-SG 3.2Å; F493-C498 HydrophobicContact CB-CB 4.48Å; T494-C498 CarbonylContact O-C 3.45Å; T494-C498 VanDerWaalsContact O-CA 3.29Å; T494-C498 WeakPolarHBondContact O-CA 3.46Å; G495-C498 PolarHBondContact O-N 2.85Å |
| 499 | A | 86.1 | Confident | 82.9 | Confident | 52 Ų | 52 | 63.9 Ų | 63.9 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | trans | -77.3 | -24.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | H470 T497 | H470-A499 HydrophobicContact CB-CB 4.33Å; T497-A499 PolarHBondContact O-N 3.08Å | ||
| 500 | Q | 82.3 | Confident | 83.2 | Confident | 120 Ų | 120 | 62.5 Ų | 62.5 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 140.7 | -176.7 | -62.8 | 173 | -16.7 | 0 | 0 | 110.2 | F493 T494 | F493-Q500 CarbonylContact C-O 3.49Å; F493-Q500 VanDerWaalsContact CA-O 3.27Å; F493-Q500 WeakPolarHBondContact CA-O 3.48Å; T494-Q500 HydrophobicContact CG2-CB 3.89Å; T494-Q500 PolarHBondContact N-O 3.39Å; T494-Q500 WeakPolarHBondContact O-CB 3.01Å; T494-Q500 PolarHBondContact O-N 2.9Å |
| 501 | L | 78.3 | Confident | 83.6 | Confident | 117 Ų | 117 | 63.3 Ų | 63.3 | 61% | 0.613 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 145.3 | 169 | -153.4 | 73.9 | 0 | 0 | 0 | 109.4 | G492 F493 D503 | G492-L501 WeakPolarHBondContact O-CD1 3.48Å; F493-L501 HydrophobicContact CD1-CD1 3.9Å; F493-L501 HydrophobicContact CE1-CD1 3.48Å; F493-L501 VanDerWaalsContact CE1-CD1 3.48Å; F493-L501 HydrophobicContact CZ-CD1 3.87Å; L501-D503 PolarHBondContact O-N 3.14Å; L501-D503 VanDerWaalsContact O-N 3.15Å |
| 502 | V | 77.1 | Confident | 84.2 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 26% | 0.255 | 37% | 0.373 | S | S | . | . | trans | -70.5 | 108.6 | 174.4 | 175.8 | 0 | 0 | 0 | 0 | 109.2 | G492 T494 F504 | G492-V502 PolarHBondContact O-N 2.88Å; T494-V502 HydrophobicContact CG2-CG2 4.08Å; V502-F504 HydrophobicContact CB-CD2 4.33Å; V502-F504 HydrophobicContact CB-CE1 4.46Å; V502-F504 HydrophobicContact CB-CE2 3.79Å; V502-F504 HydrophobicContact CB-CZ 3.87Å; V502-F504 HydrophobicContact CG1-CD1 3.86Å; V502-F504 HydrophobicContact CG1-CD2 3.97Å; V502-F504 HydrophobicContact CG1-CE1 3.6Å; V502-F504 HydrophobicContact CG1-CE2 3.69Å; V502-F504 HydrophobicContact CG1-CG 4.04Å; V502-F504 HydrophobicContact CG1-CZ 3.5Å; V502-F504 WeakPolarHBondContact O-CD2 3.41Å; V502-F504 WeakPolarHBondContact O-CE2 3.44Å; V502-F504 PolarHBondContact O-N 3.46Å; V502-F504 VanDerWaalsContact O-N 3.09Å | ||
| 503 | D | 78.7 | Confident | 85 | Confident | 92 Ų | 92 | 64 Ų | 64 | 49% | 0.492 | 38% | 0.379 | S | S | . | . | trans | -78.8 | 91.1 | 169.4 | -176.6 | 18.7 | 0 | 0 | 0 | 111.1 | L501 C505 A506 | L501-D503 PolarHBondContact O-N 3.14Å; L501-D503 VanDerWaalsContact O-N 3.15Å; D503-C505 PolarHBondContact O-N 2.87Å; D503-C505 VanDerWaalsContact O-N 3.12Å; D503-C505 WeakPolarHBondContact OD1-CA 3.46Å; D503-C505 WeakPolarHBondContact OD1-CB 3.29Å; D503-C505 PolarHBondContact OD1-N 3.13Å; D503-A506 HydrophobicContact CB-CB 4.32Å; D503-A506 WeakPolarHBondContact O-CB 3.5Å; D503-A506 PolarHBondContact O-N 3.41Å; D503-A506 PolarHBondContact OD2-N 3.39Å | ||
| 504 | F | 79.6 | Confident | 85.4 | Confident | 57 Ų | 57 | 65.9 Ų | 65.9 | 25% | 0.25 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -11.4 | 173.1 | -62.9 | -80.6 | 0 | 0 | 0 | 114.1 | V502 A519 N520 Y522 | V502-F504 HydrophobicContact CB-CD2 4.33Å; V502-F504 HydrophobicContact CB-CE1 4.46Å; V502-F504 HydrophobicContact CB-CE2 3.79Å; V502-F504 HydrophobicContact CB-CZ 3.87Å; V502-F504 HydrophobicContact CG1-CD1 3.86Å; V502-F504 HydrophobicContact CG1-CD2 3.97Å; V502-F504 HydrophobicContact CG1-CE1 3.6Å; V502-F504 HydrophobicContact CG1-CE2 3.69Å; V502-F504 HydrophobicContact CG1-CG 4.04Å; V502-F504 HydrophobicContact CG1-CZ 3.5Å; V502-F504 WeakPolarHBondContact O-CD2 3.41Å; V502-F504 WeakPolarHBondContact O-CE2 3.44Å; V502-F504 PolarHBondContact O-N 3.46Å; V502-F504 VanDerWaalsContact O-N 3.09Å; F504-A519 WeakPolarHBondContact CE2-O 3.23Å; F504-N520 WeakPolarHBondContact CZ-O 3.26Å; F504-Y522 HydrophobicContact CB-CD1 3.91Å; F504-Y522 HydrophobicContact CB-CG 4.32Å |
| 505 | C | 86.4 | Confident | 85.8 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 11% | 0.108 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -6.2 | 176.9 | -68.5 | 0 | 0 | 0 | 0 | 114.3 | D503 L507 N508 C515 R516 | D503-C505 PolarHBondContact O-N 2.87Å; D503-C505 VanDerWaalsContact O-N 3.12Å; D503-C505 WeakPolarHBondContact OD1-CA 3.46Å; D503-C505 WeakPolarHBondContact OD1-CB 3.29Å; D503-C505 PolarHBondContact OD1-N 3.13Å; C505-L507 PolarHBondContact O-N 3.36Å; C505-N508 PolarHBondContact O-N 2.95Å; C505-C515 WeakPolarHBondContact CA-SG 3.49Å; C505-C515 HydrophobicContact CB-CB 3.69Å; C505-C515 WeakPolarHBondContact CB-SG 3.18Å; C505-C515 WeakPolarHBondContact SG-CB 3.09Å; C505-C515 CovalentContact SG-SG 2.04Å; C505-C515 PolarHBondContact SG-SG 3.44Å; C505-R516 PolarHBondContact SG-N 3.09Å |
| 506 | A | 83.3 | Confident | 86.1 | Confident | 67 Ų | 67 | 69.1 Ų | 69.1 | 55% | 0.554 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -24.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D503 | D503-A506 HydrophobicContact CB-CB 4.32Å; D503-A506 WeakPolarHBondContact O-CB 3.5Å; D503-A506 PolarHBondContact O-N 3.41Å; D503-A506 PolarHBondContact OD2-N 3.39Å |
| 507 | L | 81.9 | Confident | 86.2 | Confident | 164 Ų | 164 | 67.5 Ų | 67.5 | 86% | 0.859 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5 | 176.4 | -64.5 | 177.8 | 0 | 0 | 0 | 114 | C505 | C505-L507 PolarHBondContact O-N 3.36Š|
| 508 | N | 85.1 | Confident | 85.8 | Confident | 129 Ų | 129 | 68.3 Ų | 68.3 | 69% | 0.69 | 39% | 0.393 | S | S | * | . | trans | 46.7 | 59.3 | -174.5 | -64.6 | -74.8 | 0 | 0 | 0 | 113.7 | C505 C510 | C505-N508 PolarHBondContact O-N 2.95Å; N508-C510 PolarHBondContact O-N 3.03Å | ||
| 509 | P | 88.8 | Confident | 85.2 | Confident | 32 Ų | 32 | 72.4 Ų | 72.4 | 21% | 0.208 | 43% | 0.427 | C | S | . | . | trans | -73.3 | 11.2 | -172.2 | 33.5 | -39.3 | 0 | 0 | 0 | 115 | Y522 Y534 | P509-Y522 HydrophobicContact CB-CD2 4.24Å; P509-Y522 HydrophobicContact CB-CE2 3.47Å; P509-Y522 VanDerWaalsContact CB-CE2 3.47Å; P509-Y522 HydrophobicContact CG-CD2 3.51Å; P509-Y522 HydrophobicContact CG-CE1 4.35Å; P509-Y522 HydrophobicContact CG-CE2 3.26Å; P509-Y522 HydrophobicContact CG-CG 4.15Å; P509-Y534 WeakPolarHBondContact O-CB 3.31Å; P509-Y534 VanDerWaalsContact O-CD1 3.28Å; P509-Y534 WeakPolarHBondContact O-CD1 3.26Å | ||
| 510 | C | 93.3 | Very high | 84.6 | Confident | 17 Ų | 17 | 74.5 Ų | 74.5 | 12% | 0.115 | 43% | 0.431 | C | S | . | . | trans | -114 | 124.7 | -179.6 | -52.8 | 0 | 0 | 0 | 0 | 109.7 | N508 G513 C515 C524 Y534 | N508-C510 PolarHBondContact O-N 3.03Å; C510-G513 WeakPolarHBondContact CB-O 3.34Å; C510-C515 VanDerWaalsContact SG-CA 3.55Å; C510-C515 VanDerWaalsContact SG-CB 3.53Å; C510-C524 VanDerWaalsContact CA-SG 3.52Å; C510-C524 HydrophobicContact CB-CB 3.8Å; C510-C524 WeakPolarHBondContact CB-SG 3.46Å; C510-C524 WeakPolarHBondContact SG-CA 3.47Å; C510-C524 WeakPolarHBondContact SG-CB 3.31Å; C510-C524 CovalentContact SG-SG 2.03Å; C510-C524 PolarHBondContact SG-SG 3.18Å; C510-Y534 CarbonylContact C-O 3.38Å; C510-Y534 VanDerWaalsContact CA-O 3.32Å; C510-Y534 WeakPolarHBondContact CA-O 3.39Å | ||
| 511 | A | 93.5 | Very high | 84.3 | Confident | 65 Ų | 65 | 71.7 Ų | 71.7 | 54% | 0.537 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -75.6 | -57.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y534 | A511-Y534 PolarHBondContact N-O 2.91Š|
| 512 | H | 92.2 | Very high | 84.7 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 37% | 0.37 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -122.2 | 54.9 | -179.1 | -50.4 | 95 | 0 | 0 | 0 | 111.6 | C526 V527 Y530 C535 | H512-C526 WeakPolarHBondContact O-CA 3.23Å; H512-V527 HydrophobicContact CB-CG2 4.29Å; H512-V527 PolarHBondContact O-N 3.14Å; H512-Y530 HydrophobicContact CB-CD1 3.68Å; H512-Y530 HydrophobicContact CB-CD2 3.71Å; H512-Y530 HydrophobicContact CB-CE1 3.97Å; H512-Y530 HydrophobicContact CB-CE2 3.98Å; H512-Y530 HydrophobicContact CB-CG 3.53Å; H512-Y530 AromaticContact CD2-CE1 3.77Å; H512-Y530 AromaticContact CD2-CZ 3.65Å; H512-Y530 AromaticContact CE1-CE1 3.59Å; H512-Y530 AromaticContact CG-CD1 3.57Å; H512-Y530 AromaticContact CG-CE1 3.42Å; H512-Y530 VanDerWaalsContact CG-CE1 3.42Å; H512-Y530 AromaticContact CG-CG 3.95Å; H512-Y530 AromaticContact CG-CZ 3.66Å; H512-Y530 AromaticContact ND1-CD1 3.42Å; H512-Y530 WeakPolarHBondContact ND1-CD1 3.43Å; H512-Y530 AromaticContact ND1-CE1 3.3Å; H512-Y530 VanDerWaalsContact ND1-CE1 3.3Å; H512-Y530 WeakPolarHBondContact ND1-CE1 3.47Å; H512-Y530 AromaticContact ND1-CZ 4Å; H512-Y530 AromaticContact NE2-CE1 3.88Å; H512-C535 HydrophobicContact CB-CB 4.25Å; H512-C535 WeakPolarHBondContact CB-O 3.3Å; H512-C535 PolarHBondContact N-O 3.19Å; H512-C535 PolarHBondContact ND1-O 3.19Å; H512-C535 WeakPolarHBondContact O-CB 3.47Å |
| 513 | G | 91.8 | Very high | 85.3 | Confident | 23 Ų | 23 | 73.9 Ų | 73.9 | 24% | 0.237 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 167.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | C510 L525 | C510-G513 WeakPolarHBondContact CB-O 3.34Å; G513-L525 CarbonylContact C-O 3.2Å; G513-L525 WeakPolarHBondContact CA-O 3.02Å |
| 514 | V | 92.9 | Very high | 86 | Confident | 98 Ų | 98 | 70.3 Ų | 70.3 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 122.8 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | L525 | V514-L525 HydrophobicContact CB-CB 4.42Å; V514-L525 PolarHBondContact N-O 3.09Å; V514-L525 WeakPolarHBondContact O-CB 3.07Å; V514-L525 PolarHBondContact O-N 3.26Å |
| 515 | C | 92.3 | Very high | 86.7 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 18% | 0.176 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 139.3 | 172 | -171.2 | 0 | 0 | 0 | 0 | 110.9 | C505 C510 | C505-C515 WeakPolarHBondContact CA-SG 3.49Å; C505-C515 HydrophobicContact CB-CB 3.69Å; C505-C515 WeakPolarHBondContact CB-SG 3.18Å; C505-C515 WeakPolarHBondContact SG-CB 3.09Å; C505-C515 CovalentContact SG-SG 2.04Å; C505-C515 PolarHBondContact SG-SG 3.44Å; C510-C515 VanDerWaalsContact SG-CA 3.55Å; C510-C515 VanDerWaalsContact SG-CB 3.53Å |
| 516 | R | 88.3 | Confident | 87.2 | Confident | 126 Ų | 126 | 72.3 Ų | 72.3 | 48% | 0.475 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 123.5 | 168.9 | -160.4 | -172.2 | 76.2 | -176.6 | 5.7 | 110.6 | C505 Y522 R523 | C505-R516 PolarHBondContact SG-N 3.09Å; R516-Y522 WeakPolarHBondContact O-CA 2.98Å; R516-R523 PolarHBondContact N-O 2.88Å; R516-R523 PolarHBondContact O-N 3.08Å |
| 517 | S | 83.4 | Confident | 87.7 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 39% | 0.385 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 143 | 168.2 | 49.7 | 0 | 0 | 0 | 0 | 111 | ||
| 518 | V | 79.9 | Confident | 88.2 | Confident | 56 Ų | 56 | 69.3 Ų | 69.3 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 100.2 | -179.4 | 178.7 | 0 | 0 | 0 | 0 | 108.3 | N520 S521 R523 | V518-N520 PolarHBondContact O-N 3.43Å; V518-S521 PolarHBondContact N-O 2.04Å; V518-S521 PolarHBondContact O-N 3.14Å; V518-S521 VanDerWaalsContact O-N 3.1Å; V518-R523 HydrophobicContact CG2-CG 3.82Å |
| 519 | A | 73.4 | Confident | 88.5 | Confident | 87 Ų | 87 | 63.3 Ų | 63.3 | 72% | 0.719 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | -109.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F504 | F504-A519 WeakPolarHBondContact CE2-O 3.23Š|
| 520 | N | 74.3 | Confident | 88.8 | Confident | 96 Ų | 96 | 63.6 Ų | 63.6 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 20.9 | -174.5 | -61.5 | 5.4 | 0 | 0 | 0 | 113 | A491 F504 V518 | A491-N520 WeakPolarHBondContact CB-ND2 3.38Å; F504-N520 WeakPolarHBondContact CZ-O 3.26Å; V518-N520 PolarHBondContact O-N 3.43Å |
| 521 | S | 76.6 | Confident | 88.7 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 43% | 0.427 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | -171.5 | 176.1 | 71.8 | 0 | 0 | 0 | 0 | 111.7 | V518 | V518-S521 PolarHBondContact N-O 2.04Å; V518-S521 PolarHBondContact O-N 3.14Å; V518-S521 VanDerWaalsContact O-N 3.1Å |
| 522 | Y | 86.6 | Confident | 88.6 | Confident | 78 Ų | 78 | 64.3 Ų | 64.3 | 31% | 0.306 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 164 | 170.8 | 61 | -79.8 | 0 | 0 | 0 | 110.6 | F504 P509 R516 Y534 | F504-Y522 HydrophobicContact CB-CD1 3.91Å; F504-Y522 HydrophobicContact CB-CG 4.32Å; P509-Y522 HydrophobicContact CB-CD2 4.24Å; P509-Y522 HydrophobicContact CB-CE2 3.47Å; P509-Y522 VanDerWaalsContact CB-CE2 3.47Å; P509-Y522 HydrophobicContact CG-CD2 3.51Å; P509-Y522 HydrophobicContact CG-CE1 4.35Å; P509-Y522 HydrophobicContact CG-CE2 3.26Å; P509-Y522 HydrophobicContact CG-CG 4.15Å; R516-Y522 WeakPolarHBondContact O-CA 2.98Å; Y522-Y534 HydrophobicContact CE2-CD1 4.11Å; Y522-Y534 AromaticContact CE2-CE1 3.82Å; Y522-Y534 HydrophobicContact CE2-CE1 3.82Å; Y522-Y534 AromaticContact CZ-CE1 3.95Å; Y522-Y534 VanDerWaalsContact OH-CE1 3.32Å; Y522-Y534 WeakPolarHBondContact OH-CE1 3.28Å |
| 523 | R | 89.5 | Confident | 88.5 | Confident | 127 Ų | 127 | 66 Ų | 66 | 48% | 0.479 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 144.1 | 164.6 | 57.6 | 176.3 | -74.2 | 172.8 | -3.5 | 109.8 | R516 V518 L525 | R516-R523 PolarHBondContact N-O 2.88Å; R516-R523 PolarHBondContact O-N 3.08Å; V518-R523 HydrophobicContact CG2-CG 3.82Å; R523-L525 VanDerWaalsContact NH2-CD2 3.34Å |
| 524 | C | 94 | Very high | 88.5 | Confident | 16 Ų | 16 | 69.2 Ų | 69.2 | 11% | 0.108 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 146.3 | 168.7 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | C510 C535 | C510-C524 VanDerWaalsContact CA-SG 3.52Å; C510-C524 HydrophobicContact CB-CB 3.8Å; C510-C524 WeakPolarHBondContact CB-SG 3.46Å; C510-C524 WeakPolarHBondContact SG-CA 3.47Å; C510-C524 WeakPolarHBondContact SG-CB 3.31Å; C510-C524 CovalentContact SG-SG 2.03Å; C510-C524 PolarHBondContact SG-SG 3.18Å; C524-C535 WeakPolarHBondContact CB-SG 3.41Å |
| 525 | L | 94.1 | Very high | 88.6 | Confident | 67 Ų | 67 | 64.6 Ų | 64.6 | 35% | 0.351 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 94.5 | 170.7 | -61 | 178.3 | 0 | 0 | 0 | 106.9 | G513 V514 R523 | G513-L525 CarbonylContact C-O 3.2Å; G513-L525 WeakPolarHBondContact CA-O 3.02Å; V514-L525 HydrophobicContact CB-CB 4.42Å; V514-L525 PolarHBondContact N-O 3.09Å; V514-L525 WeakPolarHBondContact O-CB 3.07Å; V514-L525 PolarHBondContact O-N 3.26Å; R523-L525 VanDerWaalsContact NH2-CD2 3.34Å |
| 526 | C | 95.6 | Very high | 88.8 | Confident | 48 Ų | 48 | 67.6 Ų | 67.6 | 32% | 0.324 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 144.5 | -172.7 | -51.4 | 0 | 0 | 0 | 0 | 112.2 | H512 Y530 C535 | H512-C526 WeakPolarHBondContact O-CA 3.23Å; C526-Y530 VanDerWaalsContact CB-O 3.31Å; C526-Y530 WeakPolarHBondContact CB-O 2.98Å; C526-C535 WeakPolarHBondContact CA-SG 3.4Å; C526-C535 HydrophobicContact CB-CB 3.68Å; C526-C535 WeakPolarHBondContact CB-SG 3.05Å; C526-C535 PolarHBondContact N-SG 3.11Å; C526-C535 VanDerWaalsContact N-SG 3.38Å; C526-C535 VanDerWaalsContact SG-CA 3.52Å; C526-C535 WeakPolarHBondContact SG-CB 3.31Å; C526-C535 CovalentContact SG-SG 2.03Å; C526-C535 PolarHBondContact SG-SG 2.91Å |
| 527 | V | 93.9 | Very high | 89 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 41% | 0.406 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -70 | 151.7 | 167.7 | -52.9 | 0 | 0 | 0 | 0 | 109.2 | H512 G529 Y530 | H512-V527 HydrophobicContact CB-CG2 4.29Å; H512-V527 PolarHBondContact O-N 3.14Å; V527-G529 PolarHBondContact O-N 2.97Å; V527-Y530 HydrophobicContact CG2-CD2 3.54Å; V527-Y530 HydrophobicContact CG2-CE2 4.03Å; V527-Y530 HydrophobicContact CG2-CG 4.49Å; V527-Y530 PolarHBondContact O-N 2.86Å; V527-Y530 VanDerWaalsContact O-N 3.12Å |
| 528 | P | 93.2 | Very high | 89.5 | Confident | 102 Ų | 102 | 66.7 Ų | 66.7 | 66% | 0.662 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 134.2 | 175.7 | -25.7 | 35.1 | 0 | 0 | 0 | 111.2 | N558 | P528-N558 WeakPolarHBondContact CB-OD1 3.34Š|
| 529 | G | 90.7 | Very high | 90.1 | Very high | 3 Ų | 3 | 69 Ų | 69 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.5 | -18.1 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V527 F539 N558 | V527-G529 PolarHBondContact O-N 2.97Å; G529-F539 PolarHBondContact O-N 2.99Å; G529-N558 PolarHBondContact N-OD1 3.06Å |
| 530 | Y | 94.9 | Very high | 91 | Very high | 38 Ų | 38 | 67.9 Ų | 67.9 | 15% | 0.149 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 151.1 | -176.2 | -66.6 | -93.1 | 0 | 0 | 0 | 114.3 | H512 C526 V527 E537 E538 I557 | H512-Y530 HydrophobicContact CB-CD1 3.68Å; H512-Y530 HydrophobicContact CB-CD2 3.71Å; H512-Y530 HydrophobicContact CB-CE1 3.97Å; H512-Y530 HydrophobicContact CB-CE2 3.98Å; H512-Y530 HydrophobicContact CB-CG 3.53Å; H512-Y530 AromaticContact CD2-CE1 3.77Å; H512-Y530 AromaticContact CD2-CZ 3.65Å; H512-Y530 AromaticContact CE1-CE1 3.59Å; H512-Y530 AromaticContact CG-CD1 3.57Å; H512-Y530 AromaticContact CG-CE1 3.42Å; H512-Y530 VanDerWaalsContact CG-CE1 3.42Å; H512-Y530 AromaticContact CG-CG 3.95Å; H512-Y530 AromaticContact CG-CZ 3.66Å; H512-Y530 AromaticContact ND1-CD1 3.42Å; H512-Y530 WeakPolarHBondContact ND1-CD1 3.43Å; H512-Y530 AromaticContact ND1-CE1 3.3Å; H512-Y530 VanDerWaalsContact ND1-CE1 3.3Å; H512-Y530 WeakPolarHBondContact ND1-CE1 3.47Å; H512-Y530 AromaticContact ND1-CZ 4Å; H512-Y530 AromaticContact NE2-CE1 3.88Å; C526-Y530 VanDerWaalsContact CB-O 3.31Å; C526-Y530 WeakPolarHBondContact CB-O 2.98Å; V527-Y530 HydrophobicContact CG2-CD2 3.54Å; V527-Y530 HydrophobicContact CG2-CE2 4.03Å; V527-Y530 HydrophobicContact CG2-CG 4.49Å; V527-Y530 PolarHBondContact O-N 2.86Å; V527-Y530 VanDerWaalsContact O-N 3.12Å; Y530-E537 CarbonylContact C-O 3.5Å; Y530-E537 VanDerWaalsContact CA-O 3.27Å; Y530-E537 WeakPolarHBondContact CA-O 3.45Å; Y530-E537 WeakPolarHBondContact CB-O 3.41Å; Y530-E537 WeakPolarHBondContact CD1-O 3.44Å; Y530-E538 HydrophobicContact CD1-CB 3.98Å; Y530-E538 HydrophobicContact CD1-CG 4.15Å; Y530-E538 HydrophobicContact CE1-CB 3.88Å; Y530-E538 HydrophobicContact CE1-CG 3.83Å; Y530-I557 HydrophobicContact CD2-CG2 4.38Å; Y530-I557 HydrophobicContact CE2-CG2 3.62Å; Y530-I557 WeakPolarHBondContact OH-CD1 3.05Å |
| 531 | H | 92.3 | Very high | 91.9 | Very high | 60 Ų | 60 | 65.5 Ų | 65.5 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | -168.2 | 175.5 | 67.7 | 90.2 | 0 | 0 | 0 | 112.3 | C535 E536 E537 F539 | H531-C535 CarbonylContact O-C 3.59Å; H531-C535 VanDerWaalsContact O-CA 3.22Å; H531-C535 WeakPolarHBondContact O-CA 3.35Å; H531-E536 PolarHBondContact O-N 3.42Å; H531-E537 VanDerWaalsContact CE1-CB 3.43Å; H531-E537 WeakPolarHBondContact CE1-CB 3.48Å; H531-E537 IonicContact CE1-OE2 3.12Å; H531-E537 PolarHBondContact CE1-OE2 2.82Å; H531-E537 PolarHBondContact N-O 2.79Å; H531-E537 WeakPolarHBondContact ND1-CB 3.25Å; H531-E537 IonicContact ND1-OE2 2.67Å; H531-E537 PolarHBondContact ND1-OE2 2.89Å; H531-E537 PolarHBondContact O-N 2.94Å; H531-F539 HydrophobicContact CB-CD2 4.4Å; H531-F539 HydrophobicContact CB-CE1 4.33Å; H531-F539 HydrophobicContact CB-CE2 3.72Å; H531-F539 HydrophobicContact CB-CZ 3.68Å; H531-F539 AromaticContact CD2-CD1 3.34Å; H531-F539 WeakPolarHBondContact CD2-CD1 3.46Å; H531-F539 AromaticContact CD2-CD2 3.7Å; H531-F539 AromaticContact CD2-CE1 3.36Å; H531-F539 WeakPolarHBondContact CD2-CE1 3.2Å; H531-F539 AromaticContact CD2-CE2 3.72Å; H531-F539 AromaticContact CD2-CG 3.51Å; H531-F539 AromaticContact CD2-CZ 3.56Å; H531-F539 AromaticContact CG-CE1 3.97Å; H531-F539 AromaticContact CG-CZ 3.84Å; H531-F539 AromaticContact NE2-CD1 3.71Å; H531-F539 AromaticContact NE2-CE1 3.88Å |
| 532 | G | 91.6 | Very high | 92.8 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 37% | 0.371 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 97.4 | -172.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E536 | G532-E536 VanDerWaalsContact C-OE2 3.29Å; G532-E536 VanDerWaalsContact CA-OE2 3.24Å; G532-E536 WeakPolarHBondContact CA-OE2 3.46Å |
| 533 | L | 90 | Very high | 93.1 | Very high | 115 Ų | 115 | 67.3 Ų | 67.3 | 60% | 0.602 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -82.4 | -28.2 | 179.8 | -179 | 57.8 | 0 | 0 | 0 | 111.7 | E536 | L533-E536 PolarHBondContact N-OE1 3.43Å; L533-E536 PolarHBondContact N-OE2 2.04Å |
| 534 | Y | 92.3 | Very high | 93.2 | Very high | 92 Ų | 92 | 65.3 Ų | 65.3 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -115.4 | 5.5 | -174.8 | -53 | -61.6 | 0 | 0 | 0 | 112.7 | P509 C510 A511 Y522 E536 | P509-Y534 WeakPolarHBondContact O-CB 3.31Å; P509-Y534 VanDerWaalsContact O-CD1 3.28Å; P509-Y534 WeakPolarHBondContact O-CD1 3.26Å; C510-Y534 CarbonylContact C-O 3.38Å; C510-Y534 VanDerWaalsContact CA-O 3.32Å; C510-Y534 WeakPolarHBondContact CA-O 3.39Å; A511-Y534 PolarHBondContact N-O 2.91Å; Y522-Y534 HydrophobicContact CE2-CD1 4.11Å; Y522-Y534 AromaticContact CE2-CE1 3.82Å; Y522-Y534 HydrophobicContact CE2-CE1 3.82Å; Y522-Y534 AromaticContact CZ-CE1 3.95Å; Y522-Y534 VanDerWaalsContact OH-CE1 3.32Å; Y522-Y534 WeakPolarHBondContact OH-CE1 3.28Å; Y534-E536 VanDerWaalsContact C-N 3.29Å; Y534-E536 VanDerWaalsContact C-OE2 3.28Å; Y534-E536 VanDerWaalsContact CA-OE2 3.3Å; Y534-E536 WeakPolarHBondContact CA-OE2 3.36Å; Y534-E536 WeakPolarHBondContact CD2-OE1 3.3Å; Y534-E536 PolarHBondContact N-OE2 3.14Å |
| 535 | C | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 62.2 | 40.2 | -172.2 | -44.9 | 0 | 0 | 0 | 0 | 111.7 | H512 C524 C526 H531 | H512-C535 HydrophobicContact CB-CB 4.25Å; H512-C535 WeakPolarHBondContact CB-O 3.3Å; H512-C535 PolarHBondContact N-O 3.19Å; H512-C535 PolarHBondContact ND1-O 3.19Å; H512-C535 WeakPolarHBondContact O-CB 3.47Å; C524-C535 WeakPolarHBondContact CB-SG 3.41Å; C526-C535 WeakPolarHBondContact CA-SG 3.4Å; C526-C535 HydrophobicContact CB-CB 3.68Å; C526-C535 WeakPolarHBondContact CB-SG 3.05Å; C526-C535 PolarHBondContact N-SG 3.11Å; C526-C535 VanDerWaalsContact N-SG 3.38Å; C526-C535 VanDerWaalsContact SG-CA 3.52Å; C526-C535 WeakPolarHBondContact SG-CB 3.31Å; C526-C535 CovalentContact SG-SG 2.03Å; C526-C535 PolarHBondContact SG-SG 2.91Å; H531-C535 CarbonylContact O-C 3.59Å; H531-C535 VanDerWaalsContact O-CA 3.22Å; H531-C535 WeakPolarHBondContact O-CA 3.35Å |
| 536 | E | 94.5 | Very high | 93.1 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 42% | 0.421 | 37% | 0.368 | S | S | . | . | trans | -93.8 | -20.5 | -175.6 | 71.2 | -80.8 | -141.1 | 0 | 0 | 113.1 | H531 G532 L533 Y534 | H531-E536 PolarHBondContact O-N 3.42Å; G532-E536 VanDerWaalsContact C-OE2 3.29Å; G532-E536 VanDerWaalsContact CA-OE2 3.24Å; G532-E536 WeakPolarHBondContact CA-OE2 3.46Å; L533-E536 PolarHBondContact N-OE1 3.43Å; L533-E536 PolarHBondContact N-OE2 2.04Å; Y534-E536 VanDerWaalsContact C-N 3.29Å; Y534-E536 VanDerWaalsContact C-OE2 3.28Å; Y534-E536 VanDerWaalsContact CA-OE2 3.3Å; Y534-E536 WeakPolarHBondContact CA-OE2 3.36Å; Y534-E536 WeakPolarHBondContact CD2-OE1 3.3Å; Y534-E536 PolarHBondContact N-OE2 3.14Å | ||
| 537 | E | 93 | Very high | 93.1 | Very high | 100 Ų | 100 | 65 Ų | 65 | 47% | 0.467 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 149.1 | 178.5 | -53.3 | -175.9 | 128.2 | 0 | 0 | 110.7 | Y530 H531 | Y530-E537 CarbonylContact C-O 3.5Å; Y530-E537 VanDerWaalsContact CA-O 3.27Å; Y530-E537 WeakPolarHBondContact CA-O 3.45Å; Y530-E537 WeakPolarHBondContact CB-O 3.41Å; Y530-E537 WeakPolarHBondContact CD1-O 3.44Å; H531-E537 VanDerWaalsContact CE1-CB 3.43Å; H531-E537 WeakPolarHBondContact CE1-CB 3.48Å; H531-E537 IonicContact CE1-OE2 3.12Å; H531-E537 PolarHBondContact CE1-OE2 2.82Å; H531-E537 PolarHBondContact N-O 2.79Å; H531-E537 WeakPolarHBondContact ND1-CB 3.25Å; H531-E537 IonicContact ND1-OE2 2.67Å; H531-E537 PolarHBondContact ND1-OE2 2.89Å; H531-E537 PolarHBondContact O-N 2.94Å |
| 538 | E | 93.6 | Very high | 93.1 | Very high | 61 Ų | 61 | 66.5 Ų | 66.5 | 29% | 0.285 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 140.7 | -179.8 | -165.6 | -94.9 | -156.9 | 0 | 0 | 110.1 | Y530 N540 I557 | Y530-E538 HydrophobicContact CD1-CB 3.98Å; Y530-E538 HydrophobicContact CD1-CG 4.15Å; Y530-E538 HydrophobicContact CE1-CB 3.88Å; Y530-E538 HydrophobicContact CE1-CG 3.83Å; E538-N540 PolarHBondContact O-N 3.11Å; E538-N540 VanDerWaalsContact O-N 3.13Å; E538-N540 PolarHBondContact OE2-N 2.86Å; E538-I557 WeakPolarHBondContact OE1-CA 3.48Å |
| 539 | F | 93.7 | Very high | 93 | Very high | 105 Ų | 105 | 64.5 Ų | 64.5 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | trans | -79.5 | 87.9 | -176.7 | -83.9 | -63.4 | 0 | 0 | 0 | 111.7 | G529 H531 E541 | G529-F539 PolarHBondContact O-N 2.99Å; H531-F539 HydrophobicContact CB-CD2 4.4Å; H531-F539 HydrophobicContact CB-CE1 4.33Å; H531-F539 HydrophobicContact CB-CE2 3.72Å; H531-F539 HydrophobicContact CB-CZ 3.68Å; H531-F539 AromaticContact CD2-CD1 3.34Å; H531-F539 WeakPolarHBondContact CD2-CD1 3.46Å; H531-F539 AromaticContact CD2-CD2 3.7Å; H531-F539 AromaticContact CD2-CE1 3.36Å; H531-F539 WeakPolarHBondContact CD2-CE1 3.2Å; H531-F539 AromaticContact CD2-CE2 3.72Å; H531-F539 AromaticContact CD2-CG 3.51Å; H531-F539 AromaticContact CD2-CZ 3.56Å; H531-F539 AromaticContact CG-CE1 3.97Å; H531-F539 AromaticContact CG-CZ 3.84Å; H531-F539 AromaticContact NE2-CD1 3.71Å; H531-F539 AromaticContact NE2-CE1 3.88Å; F539-E541 PolarHBondContact O-N 3.08Å | ||
| 540 | N | 92.5 | Very high | 92.9 | Very high | 63 Ų | 63 | 75 Ų | 75 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | trans | -58.8 | 93.8 | 169.4 | -175.9 | -71.3 | 0 | 0 | 0 | 111.4 | E538 C542 L543 D555 | E538-N540 PolarHBondContact O-N 3.11Å; E538-N540 VanDerWaalsContact O-N 3.13Å; E538-N540 PolarHBondContact OE2-N 2.86Å; N540-C542 PolarHBondContact O-N 2.67Å; N540-C542 WeakPolarHBondContact OD1-CB 3.36Å; N540-C542 PolarHBondContact OD1-N 2.74Å; N540-L543 HydrophobicContact CB-CD1 4.34Å; N540-L543 HydrophobicContact CB-CG 4.16Å; N540-L543 WeakPolarHBondContact O-CB 3.45Å; N540-L543 PolarHBondContact O-N 2.99Å; N540-L543 WeakPolarHBondContact OD1-CG 3.35Å; N540-L543 PolarHBondContact OD1-N 2.85Å; N540-D555 WeakPolarHBondContact CA-OD1 3.22Å; N540-D555 WeakPolarHBondContact CA-OD2 3.47Å; N540-D555 WeakPolarHBondContact CB-OD2 3.18Å; N540-D555 VanDerWaalsContact CG-CG 3.48Å; N540-D555 PolarHBondContact ND2-OD1 3.15Å; N540-D555 PolarHBondContact ND2-OD2 3.31Å; N540-D555 PolarHBondContact OD1-OD1 2.64Å | ||
| 541 | E | 93.5 | Very high | 92.9 | Very high | 46 Ų | 46 | 73.8 Ų | 73.8 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -69.6 | -19.8 | 179 | -69.6 | 112.4 | 163.6 | 0 | 0 | 112.2 | F539 L543 S544 D555 N558 A559 Y560 | F539-E541 PolarHBondContact O-N 3.08Å; E541-L543 PolarHBondContact O-N 2.9Å; E541-S544 WeakPolarHBondContact O-CB 3.4Å; E541-S544 PolarHBondContact O-N 2.68Å; E541-S544 PolarHBondContact O-OG 2.79Å; E541-D555 PolarHBondContact N-OD1 3.42Å; E541-N558 VanDerWaalsContact OE1-CA 3.24Å; E541-N558 WeakPolarHBondContact OE1-CA 3.45Å; E541-A559 PolarHBondContact OE1-N 3.43Å; E541-A559 VanDerWaalsContact OE2-C 3.24Å; E541-A559 WeakPolarHBondContact OE2-CA 3.49Å; E541-A559 PolarHBondContact OE2-N 2.73Å; E541-Y560 HydrophobicContact CB-CD1 3.71Å; E541-Y560 HydrophobicContact CB-CE1 4.48Å; E541-Y560 HydrophobicContact CG-CD1 4.48Å |
| 542 | C | 94.5 | Very high | 93 | Very high | 25 Ų | 25 | 75.5 Ų | 75.5 | 17% | 0.169 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -62.7 | -21.2 | 174 | -72.9 | 0 | 0 | 0 | 0 | 113.8 | N540 S544 A545 C553 R554 D555 | N540-C542 PolarHBondContact O-N 2.67Å; N540-C542 WeakPolarHBondContact OD1-CB 3.36Å; N540-C542 PolarHBondContact OD1-N 2.74Å; C542-S544 PolarHBondContact O-N 3.47Å; C542-A545 PolarHBondContact O-N 3.11Å; C542-C553 WeakPolarHBondContact CA-SG 3.43Å; C542-C553 HydrophobicContact CB-CB 3.81Å; C542-C553 WeakPolarHBondContact CB-SG 3.48Å; C542-C553 VanDerWaalsContact SG-C 3.54Å; C542-C553 WeakPolarHBondContact SG-CB 3.36Å; C542-C553 CovalentContact SG-SG 2.04Å; C542-C553 PolarHBondContact SG-SG 2.83Å; C542-R554 VanDerWaalsContact SG-C 3.56Å; C542-D555 WeakPolarHBondContact CB-OD1 3.46Å; C542-D555 PolarHBondContact N-OD1 2.75Å; C542-D555 PolarHBondContact SG-N 3.42Å; C542-D555 VanDerWaalsContact SG-N 3.43Å; C542-D555 PolarHBondContact SG-OD1 2.87Å |
| 543 | L | 93.3 | Very high | 93.2 | Very high | 152 Ų | 152 | 75.5 Ų | 75.5 | 80% | 0.796 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -58.8 | -23.8 | 170 | -72.8 | -179.1 | 0 | 0 | 0 | 113.1 | N540 E541 A545 | N540-L543 HydrophobicContact CB-CD1 4.34Å; N540-L543 HydrophobicContact CB-CG 4.16Å; N540-L543 WeakPolarHBondContact O-CB 3.45Å; N540-L543 PolarHBondContact O-N 2.99Å; N540-L543 WeakPolarHBondContact OD1-CG 3.35Å; N540-L543 PolarHBondContact OD1-N 2.85Å; E541-L543 PolarHBondContact O-N 2.9Å; L543-A545 PolarHBondContact O-N 3.28Å |
| 544 | S | 90.8 | Very high | 93.4 | Very high | 86 Ų | 86 | 75.1 Ų | 75.1 | 60% | 0.601 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -76.4 | -4.4 | 174.7 | 71.3 | 0 | 0 | 0 | 0 | 114.1 | E541 C542 P546 | E541-S544 WeakPolarHBondContact O-CB 3.4Å; E541-S544 PolarHBondContact O-N 2.68Å; E541-S544 PolarHBondContact O-OG 2.79Å; C542-S544 PolarHBondContact O-N 3.47Å; S544-P546 WeakPolarHBondContact OG-CD 3.42Å |
| 545 | A | 92.1 | Very high | 93.5 | Very high | 81 Ų | 81 | 73 Ų | 73 | 67% | 0.669 | 38% | 0.379 | S | S | * | . | trans | 48 | 55 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C542 L543 C547 | C542-A545 PolarHBondContact O-N 3.11Å; L543-A545 PolarHBondContact O-N 3.28Å; A545-C547 VanDerWaalsContact C-N 3.28Å; A545-C547 PolarHBondContact O-N 2.86Å | ||
| 546 | P | 93.9 | Very high | 93.4 | Very high | 20 Ų | 20 | 76.1 Ų | 76.1 | 13% | 0.13 | 40% | 0.396 | C | S | . | . | trans | -72.3 | -21.2 | -171.2 | 30.4 | -34.8 | 0 | 0 | 0 | 113.5 | S544 Y560 H572 | S544-P546 WeakPolarHBondContact OG-CD 3.42Å; P546-Y560 HydrophobicContact CB-CD2 4.1Å; P546-Y560 HydrophobicContact CB-CE1 4.17Å; P546-Y560 HydrophobicContact CB-CE2 3.58Å; P546-Y560 HydrophobicContact CG-CD1 4.19Å; P546-Y560 HydrophobicContact CG-CD2 3.63Å; P546-Y560 HydrophobicContact CG-CE1 4.19Å; P546-Y560 HydrophobicContact CG-CE2 3.67Å; P546-Y560 HydrophobicContact CG-CG 3.91Å; P546-H572 WeakPolarHBondContact O-CB 3.47Å | ||
| 547 | C | 95.3 | Very high | 93.2 | Very high | 23 Ų | 23 | 76.8 Ų | 76.8 | 16% | 0.155 | 40% | 0.401 | C | S | . | . | trans | -89.1 | 132.5 | -174.6 | -50.6 | 0 | 0 | 0 | 0 | 112.4 | A545 A551 C553 C562 | A545-C547 VanDerWaalsContact C-N 3.28Å; A545-C547 PolarHBondContact O-N 2.86Å; C547-A551 HydrophobicContact CB-CB 4.1Å; C547-C553 HydrophobicContact CB-CB 4.43Å; C547-C553 VanDerWaalsContact SG-CB 3.52Å; C547-C553 VanDerWaalsContact SG-SG 3.69Å; C547-C562 WeakPolarHBondContact CA-SG 3.29Å; C547-C562 HydrophobicContact CB-CB 3.72Å; C547-C562 WeakPolarHBondContact CB-SG 3.43Å; C547-C562 WeakPolarHBondContact SG-CA 3.22Å; C547-C562 WeakPolarHBondContact SG-CB 3.24Å; C547-C562 CovalentContact SG-SG 2.03Å; C547-C562 PolarHBondContact SG-SG 3.07Å | ||
| 548 | Q | 93.7 | Very high | 93.1 | Very high | 99 Ų | 99 | 76 Ų | 76 | 46% | 0.463 | 40% | 0.4 | S | S | . | . | trans | -100 | 177.1 | -175.9 | -55 | -174.1 | 17.7 | 0 | 0 | 111.9 | Y550 A551 H572 | Q548-Y550 VanDerWaalsContact C-N 3.26Å; Q548-Y550 PolarHBondContact O-N 3.21Å; Q548-Y550 VanDerWaalsContact O-N 3.09Å; Q548-A551 WeakPolarHBondContact O-CB 3.06Å; Q548-A551 PolarHBondContact O-N 3.47Å; Q548-H572 WeakPolarHBondContact CB-O 3.43Å; Q548-H572 PolarHBondContact N-O 3.31Å | ||
| 549 | N | 91.8 | Very high | 93.1 | Very high | 59 Ų | 59 | 75 Ų | 75 | 32% | 0.316 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 40.2 | 169.1 | -60 | -47.5 | 0 | 0 | 0 | 115 | A551 T565 F568 C573 | N549-A551 PolarHBondContact O-N 3.22Å; N549-T565 PolarHBondContact O-OG1 2.85Å; N549-F568 HydrophobicContact CB-CD1 3.77Å; N549-F568 HydrophobicContact CB-CD2 3.95Å; N549-F568 HydrophobicContact CB-CE1 3.75Å; N549-F568 HydrophobicContact CB-CE2 3.94Å; N549-F568 HydrophobicContact CB-CG 3.87Å; N549-F568 HydrophobicContact CB-CZ 3.84Å; N549-F568 WeakPolarHBondContact ND2-CD1 3.46Å; N549-F568 VanDerWaalsContact ND2-CE1 3.34Å; N549-F568 WeakPolarHBondContact ND2-CE1 3.39Å; N549-C573 PolarHBondContact ND2-O 3.07Å |
| 550 | Y | 89.1 | Confident | 93.1 | Very high | 223 Ų | 223 | 72.9 Ų | 72.9 | 88% | 0.875 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 21.9 | -179.5 | -47 | -83.5 | 0 | 0 | 0 | 114.7 | Q548 | Q548-Y550 VanDerWaalsContact C-N 3.26Å; Q548-Y550 PolarHBondContact O-N 3.21Å; Q548-Y550 VanDerWaalsContact O-N 3.09Å |
| 551 | A | 93.6 | Very high | 93.3 | Very high | 14 Ų | 14 | 74 Ų | 74 | 12% | 0.116 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -66 | 149.5 | 171 | 0 | 0 | 0 | 0 | 0 | 112 | C547 Q548 N549 V563 C573 | C547-A551 HydrophobicContact CB-CB 4.1Å; Q548-A551 WeakPolarHBondContact O-CB 3.06Å; Q548-A551 PolarHBondContact O-N 3.47Å; N549-A551 PolarHBondContact O-N 3.22Å; A551-V563 WeakPolarHBondContact CA-O 3.11Å; A551-V563 WeakPolarHBondContact CB-O 3.02Å; A551-C573 HydrophobicContact CB-CB 3.67Å; A551-C573 WeakPolarHBondContact CB-SG 3.44Å |
| 552 | T | 94.9 | Very high | 93.4 | Very high | 96 Ų | 96 | 72.5 Ų | 72.5 | 59% | 0.589 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 123 | 178.2 | -57.1 | 0 | 0 | 0 | 0 | 109.7 | V563 | T552-V563 PolarHBondContact N-O 3.3Å; T552-V563 PolarHBondContact O-N 2.92Å |
| 553 | C | 96.1 | Very high | 93.4 | Very high | 36 Ų | 36 | 74.7 Ų | 74.7 | 24% | 0.243 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 131.7 | 172.2 | -166.9 | 0 | 0 | 0 | 0 | 110.1 | C542 C547 | C542-C553 WeakPolarHBondContact CA-SG 3.43Å; C542-C553 HydrophobicContact CB-CB 3.81Å; C542-C553 WeakPolarHBondContact CB-SG 3.48Å; C542-C553 VanDerWaalsContact SG-C 3.54Å; C542-C553 WeakPolarHBondContact SG-CB 3.36Å; C542-C553 CovalentContact SG-SG 2.04Å; C542-C553 PolarHBondContact SG-SG 2.83Å; C547-C553 HydrophobicContact CB-CB 4.43Å; C547-C553 VanDerWaalsContact SG-CB 3.52Å; C547-C553 VanDerWaalsContact SG-SG 3.69Å |
| 554 | R | 95.1 | Very high | 93.4 | Very high | 106 Ų | 106 | 69.4 Ų | 69.4 | 40% | 0.4 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.7 | 168.5 | -165 | -179.5 | 79 | -117.3 | -1.8 | 109.6 | C542 Y560 E561 | C542-R554 VanDerWaalsContact SG-C 3.56Å; R554-Y560 WeakPolarHBondContact O-CA 3.39Å; R554-E561 IonicContact CZ-OE1 3.56Å; R554-E561 IonicContact CZ-OE2 3.39Å; R554-E561 PolarHBondContact N-O 2.95Å; R554-E561 IonicContact NH1-OE1 2.7Å; R554-E561 PolarHBondContact NH1-OE1 2.94Å; R554-E561 IonicContact NH1-OE2 3.32Å; R554-E561 PolarHBondContact NH1-OE2 3.48Å; R554-E561 VanDerWaalsContact NH2-CD 3.33Å; R554-E561 IonicContact NH2-OE1 2.69Å; R554-E561 IonicContact NH2-OE2 2.74Å; R554-E561 PolarHBondContact NH2-OE2 2.95Å; R554-E561 PolarHBondContact O-N 3.43Å |
| 555 | D | 93.6 | Very high | 93.4 | Very high | 49 Ų | 49 | 67.6 Ų | 67.6 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 144.5 | 172.3 | -117.8 | 31.6 | 0 | 0 | 0 | 111.4 | N540 E541 C542 | N540-D555 WeakPolarHBondContact CA-OD1 3.22Å; N540-D555 WeakPolarHBondContact CA-OD2 3.47Å; N540-D555 WeakPolarHBondContact CB-OD2 3.18Å; N540-D555 VanDerWaalsContact CG-CG 3.48Å; N540-D555 PolarHBondContact ND2-OD1 3.15Å; N540-D555 PolarHBondContact ND2-OD2 3.31Å; N540-D555 PolarHBondContact OD1-OD1 2.64Å; E541-D555 PolarHBondContact N-OD1 3.42Å; C542-D555 WeakPolarHBondContact CB-OD1 3.46Å; C542-D555 PolarHBondContact N-OD1 2.75Å; C542-D555 PolarHBondContact SG-N 3.42Å; C542-D555 VanDerWaalsContact SG-N 3.43Å; C542-D555 PolarHBondContact SG-OD1 2.87Å |
| 556 | L | 91.9 | Very high | 93.2 | Very high | 65 Ų | 65 | 68 Ų | 68 | 34% | 0.34 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 154.7 | 172.6 | -58.9 | 169.6 | 0 | 0 | 0 | 108.3 | N558 A559 E561 | L556-N558 PolarHBondContact O-N 2.69Å; L556-A559 CarbonylContact C-O 3.6Å; L556-A559 WeakPolarHBondContact CA-O 3.37Å; L556-A559 HydrophobicContact CB-CB 4.01Å; L556-A559 VanDerWaalsContact CB-O 3.31Å; L556-A559 WeakPolarHBondContact CB-O 3Å; L556-A559 HydrophobicContact CD1-CB 4.47Å; L556-A559 PolarHBondContact N-O 2.87Å; L556-A559 CarbonylContact O-C 3.46Å; L556-A559 PolarHBondContact O-N 3.3Å; L556-E561 HydrophobicContact CD1-CB 4.18Å |
| 557 | I | 91.9 | Very high | 92.8 | Very high | 103 Ų | 103 | 70.9 Ų | 70.9 | 53% | 0.528 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 114.1 | 179.8 | -60.8 | 165.7 | 0 | 0 | 0 | 110.1 | Y530 E538 A559 | Y530-I557 HydrophobicContact CD2-CG2 4.38Å; Y530-I557 HydrophobicContact CE2-CG2 3.62Å; Y530-I557 WeakPolarHBondContact OH-CD1 3.05Å; E538-I557 WeakPolarHBondContact OE1-CA 3.48Å; I557-A559 VanDerWaalsContact C-N 3.25Å; I557-A559 PolarHBondContact O-N 3.36Å |
| 558 | N | 91.3 | Very high | 92.6 | Very high | 84 Ų | 84 | 71.6 Ų | 71.6 | 45% | 0.449 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 29.3 | -177.5 | -163.3 | 97 | 0 | 0 | 0 | 113.3 | P528 G529 E541 L556 | P528-N558 WeakPolarHBondContact CB-OD1 3.34Å; G529-N558 PolarHBondContact N-OD1 3.06Å; E541-N558 VanDerWaalsContact OE1-CA 3.24Å; E541-N558 WeakPolarHBondContact OE1-CA 3.45Å; L556-N558 PolarHBondContact O-N 2.69Å |
| 559 | A | 92.6 | Very high | 92.4 | Very high | 40 Ų | 40 | 71.4 Ų | 71.4 | 33% | 0.331 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 165.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E541 L556 I557 | E541-A559 PolarHBondContact OE1-N 3.43Å; E541-A559 VanDerWaalsContact OE2-C 3.24Å; E541-A559 WeakPolarHBondContact OE2-CA 3.49Å; E541-A559 PolarHBondContact OE2-N 2.73Å; L556-A559 CarbonylContact C-O 3.6Å; L556-A559 WeakPolarHBondContact CA-O 3.37Å; L556-A559 HydrophobicContact CB-CB 4.01Å; L556-A559 VanDerWaalsContact CB-O 3.31Å; L556-A559 WeakPolarHBondContact CB-O 3Å; L556-A559 HydrophobicContact CD1-CB 4.47Å; L556-A559 PolarHBondContact N-O 2.87Å; L556-A559 CarbonylContact O-C 3.46Å; L556-A559 PolarHBondContact O-N 3.3Å; I557-A559 VanDerWaalsContact C-N 3.25Å; I557-A559 PolarHBondContact O-N 3.36Å |
| 560 | Y | 94.4 | Very high | 92.3 | Very high | 61 Ų | 61 | 70.1 Ų | 70.1 | 24% | 0.239 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 153.5 | 168.5 | 58.4 | -91.2 | 0 | 0 | 0 | 111.7 | E541 P546 R554 K571 H572 | E541-Y560 HydrophobicContact CB-CD1 3.71Å; E541-Y560 HydrophobicContact CB-CE1 4.48Å; E541-Y560 HydrophobicContact CG-CD1 4.48Å; P546-Y560 HydrophobicContact CB-CD2 4.1Å; P546-Y560 HydrophobicContact CB-CE1 4.17Å; P546-Y560 HydrophobicContact CB-CE2 3.58Å; P546-Y560 HydrophobicContact CG-CD1 4.19Å; P546-Y560 HydrophobicContact CG-CD2 3.63Å; P546-Y560 HydrophobicContact CG-CE1 4.19Å; P546-Y560 HydrophobicContact CG-CE2 3.67Å; P546-Y560 HydrophobicContact CG-CG 3.91Å; R554-Y560 WeakPolarHBondContact O-CA 3.39Å; Y560-K571 PolarHBondContact OH-NZ 3.12Å; Y560-H572 AromaticContact CE2-CD2 3.85Å; Y560-H572 PolarHBondContact OH-NE2 2.99Å; Y560-H572 VanDerWaalsContact OH-NE2 3.11Å |
| 561 | E | 95.3 | Very high | 92.4 | Very high | 87 Ų | 87 | 65.8 Ų | 65.8 | 41% | 0.407 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.9 | 172.2 | -170.5 | -175.8 | 115.8 | 0 | 0 | 110 | R554 L556 | R554-E561 IonicContact CZ-OE1 3.56Å; R554-E561 IonicContact CZ-OE2 3.39Å; R554-E561 PolarHBondContact N-O 2.95Å; R554-E561 IonicContact NH1-OE1 2.7Å; R554-E561 PolarHBondContact NH1-OE1 2.94Å; R554-E561 IonicContact NH1-OE2 3.32Å; R554-E561 PolarHBondContact NH1-OE2 3.48Å; R554-E561 VanDerWaalsContact NH2-CD 3.33Å; R554-E561 IonicContact NH2-OE1 2.69Å; R554-E561 IonicContact NH2-OE2 2.74Å; R554-E561 PolarHBondContact NH2-OE2 2.95Å; R554-E561 PolarHBondContact O-N 3.43Å; L556-E561 HydrophobicContact CD1-CB 4.18Å |
| 562 | C | 96.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 67.6 Ų | 67.6 | 10% | 0.095 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 108.6 | 173.7 | -64 | 0 | 0 | 0 | 0 | 110.2 | C547 C564 K571 C573 | C547-C562 WeakPolarHBondContact CA-SG 3.29Å; C547-C562 HydrophobicContact CB-CB 3.72Å; C547-C562 WeakPolarHBondContact CB-SG 3.43Å; C547-C562 WeakPolarHBondContact SG-CA 3.22Å; C547-C562 WeakPolarHBondContact SG-CB 3.24Å; C547-C562 CovalentContact SG-SG 2.03Å; C547-C562 PolarHBondContact SG-SG 3.07Å; C562-C564 PolarHBondContact O-N 2.68Å; C562-C564 VanDerWaalsContact O-N 3.12Å; C562-K571 WeakPolarHBondContact CB-O 3.24Å; C562-C573 VanDerWaalsContact CB-SG 3.57Å |
| 563 | V | 95.1 | Very high | 92.4 | Very high | 70 Ų | 70 | 63 Ų | 63 | 42% | 0.424 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 95.8 | 175.1 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | A551 T552 | A551-V563 WeakPolarHBondContact CA-O 3.11Å; A551-V563 WeakPolarHBondContact CB-O 3.02Å; T552-V563 PolarHBondContact N-O 3.3Å; T552-V563 PolarHBondContact O-N 2.92Å |
| 564 | C | 93.3 | Very high | 92.3 | Very high | 42 Ų | 42 | 65.1 Ų | 65.1 | 28% | 0.284 | 34% | 0.34 | S | S | . | . | trans | -67.1 | 143.7 | -175.1 | -54.3 | 0 | 0 | 0 | 0 | 113.2 | C562 F568 C573 | C562-C564 PolarHBondContact O-N 2.68Å; C562-C564 VanDerWaalsContact O-N 3.12Å; C564-F568 WeakPolarHBondContact CB-O 3.37Å; C564-C573 WeakPolarHBondContact CA-SG 3.02Å; C564-C573 HydrophobicContact CB-CB 3.74Å; C564-C573 WeakPolarHBondContact CB-SG 3.3Å; C564-C573 PolarHBondContact N-SG 3.03Å; C564-C573 WeakPolarHBondContact SG-CA 3.23Å; C564-C573 WeakPolarHBondContact SG-CB 3.33Å; C564-C573 CovalentContact SG-SG 2.03Å; C564-C573 PolarHBondContact SG-SG 2.8Å | ||
| 565 | T | 90 | Very high | 92 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 29% | 0.288 | 34% | 0.34 | S | S | . | . | trans | -65.9 | 153.3 | 165.6 | 56.9 | 0 | 0 | 0 | 0 | 109.6 | N549 Q567 F568 | N549-T565 PolarHBondContact O-OG1 2.85Å; T565-Q567 PolarHBondContact O-N 2.9Å; T565-F568 PolarHBondContact O-N 3.44Å; T565-F568 WeakPolarHBondContact OG1-CD2 3.31Å | ||
| 566 | P | 87.3 | Confident | 91.6 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 59% | 0.591 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -32.8 | -167.4 | -32.3 | 37.7 | 0 | 0 | 0 | 115.8 | F568 K577 L596 | P566-F568 VanDerWaalsContact C-N 3.26Å; P566-F568 PolarHBondContact O-N 2.85Å; P566-K577 PolarHBondContact O-NZ 2.86Å; P566-L596 HydrophobicContact CB-CD1 3.91Å; P566-L596 HydrophobicContact CB-CD2 4.39Å |
| 567 | Q | 86.3 | Confident | 91.2 | Very high | 80 Ų | 80 | 66.8 Ų | 66.8 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -3.5 | -178.9 | -64.9 | 179.5 | 39 | 0 | 0 | 114.4 | T565 Y576 K577 L596 | T565-Q567 PolarHBondContact O-N 2.9Å; Q567-Y576 HydrophobicContact CB-CD2 4.37Å; Q567-Y576 HydrophobicContact CB-CE2 4.08Å; Q567-Y576 WeakPolarHBondContact O-CD2 3.43Å; Q567-K577 PolarHBondContact O-N 3Å; Q567-L596 HydrophobicContact CB-CD2 4.31Å; Q567-L596 HydrophobicContact CG-CD2 3.63Å; Q567-L596 HydrophobicContact CG-CG 3.97Å |
| 568 | F | 90.6 | Very high | 90.7 | Very high | 38 Ų | 38 | 65.2 Ų | 65.2 | 17% | 0.167 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 156.9 | -173.7 | -65.8 | -91.7 | 0 | 0 | 0 | 113.6 | N549 C564 T565 P566 C573 I575 Y576 K577 | N549-F568 HydrophobicContact CB-CD1 3.77Å; N549-F568 HydrophobicContact CB-CD2 3.95Å; N549-F568 HydrophobicContact CB-CE1 3.75Å; N549-F568 HydrophobicContact CB-CE2 3.94Å; N549-F568 HydrophobicContact CB-CG 3.87Å; N549-F568 HydrophobicContact CB-CZ 3.84Å; N549-F568 WeakPolarHBondContact ND2-CD1 3.46Å; N549-F568 VanDerWaalsContact ND2-CE1 3.34Å; N549-F568 WeakPolarHBondContact ND2-CE1 3.39Å; C564-F568 WeakPolarHBondContact CB-O 3.37Å; T565-F568 PolarHBondContact O-N 3.44Å; T565-F568 WeakPolarHBondContact OG1-CD2 3.31Å; P566-F568 VanDerWaalsContact C-N 3.26Å; P566-F568 PolarHBondContact O-N 2.85Å; F568-C573 HydrophobicContact CB-CB 4.3Å; F568-I575 CarbonylContact C-O 3.36Å; F568-I575 WeakPolarHBondContact CA-O 3.42Å; F568-I575 WeakPolarHBondContact CD1-O 3.47Å; F568-Y576 HydrophobicContact CE1-CD2 4.08Å; F568-Y576 HydrophobicContact CE2-CD2 4.47Å; F568-Y576 HydrophobicContact CZ-CD2 4.04Å; F568-K577 WeakPolarHBondContact O-CE 3.34Å; F568-K577 PolarHBondContact O-NZ 3.42Å |
| 569 | E | 89.8 | Confident | 90.3 | Very high | 95 Ų | 95 | 62.4 Ų | 62.4 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | -168.8 | 174.2 | 58.2 | -174.7 | -141.7 | 0 | 0 | 110.7 | C573 E574 I575 K577 | E569-C573 CarbonylContact O-C 3.59Å; E569-C573 WeakPolarHBondContact O-CA 3.34Å; E569-E574 PolarHBondContact O-N 3.01Å; E569-E574 VanDerWaalsContact O-N 3.17Å; E569-I575 HydrophobicContact CG-CB 3.99Å; E569-I575 HydrophobicContact CG-CG2 4.12Å; E569-I575 PolarHBondContact N-O 2.88Å; E569-I575 WeakPolarHBondContact O-CB 3.16Å; E569-I575 PolarHBondContact O-N 2.75Å; E569-K577 HydrophobicContact CB-CG 4.42Å; E569-K577 HydrophobicContact CG-CG 3.82Å; E569-K577 WeakPolarHBondContact OE2-CE 3.39Å; E569-K577 WeakPolarHBondContact OE2-CG 3.48Å |
| 570 | G | 89.7 | Confident | 89.8 | Confident | 31 Ų | 31 | 61.8 Ų | 61.8 | 32% | 0.32 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 91 | 169.1 | -165 | 0 | 0 | 0 | 0 | 0 | 111.7 | H572 C573 E574 | G570-H572 VanDerWaalsContact C-N 3.27Å; G570-H572 PolarHBondContact O-N 3.33Å; G570-C573 PolarHBondContact O-N 2.88Å; G570-E574 VanDerWaalsContact C-OE2 3.27Å; G570-E574 WeakPolarHBondContact CA-OE1 3.19Å; G570-E574 WeakPolarHBondContact CA-OE2 3.41Å |
| 571 | K | 91.7 | Very high | 89.3 | Confident | 132 Ų | 132 | 64 Ų | 64 | 57% | 0.574 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -32.1 | -173.5 | -175.6 | -177.8 | 168.9 | -103.7 | 0 | 111.8 | Y560 C562 E574 | Y560-K571 PolarHBondContact OH-NZ 3.12Å; C562-K571 WeakPolarHBondContact CB-O 3.24Å; K571-E574 PolarHBondContact N-OE1 2.83Å; K571-E574 PolarHBondContact N-OE2 2.9Å; K571-E574 VanDerWaalsContact N-OE2 3.15Å |
| 572 | H | 93.6 | Very high | 88.5 | Confident | 53 Ų | 53 | 66.7 Ų | 66.7 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 14.5 | -177.5 | -52.2 | 154.4 | 0 | 0 | 0 | 111.1 | P546 Q548 Y560 G570 E574 | P546-H572 WeakPolarHBondContact O-CB 3.47Å; Q548-H572 WeakPolarHBondContact CB-O 3.43Å; Q548-H572 PolarHBondContact N-O 3.31Å; Y560-H572 AromaticContact CE2-CD2 3.85Å; Y560-H572 PolarHBondContact OH-NE2 2.99Å; Y560-H572 VanDerWaalsContact OH-NE2 3.11Å; G570-H572 VanDerWaalsContact C-N 3.27Å; G570-H572 PolarHBondContact O-N 3.33Å; H572-E574 VanDerWaalsContact C-OE2 3.24Å; H572-E574 VanDerWaalsContact CA-OE2 3.25Å; H572-E574 WeakPolarHBondContact CA-OE2 3.41Å; H572-E574 WeakPolarHBondContact CB-OE2 3.49Å; H572-E574 PolarHBondContact N-OE2 2.82Å; H572-E574 PolarHBondContact O-N 2.86Å |
| 573 | C | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 36% | 0.363 | C | S | . | . | S | Bend | trans | 60.6 | 30.8 | -174.3 | -47.4 | 0 | 0 | 0 | 0 | 113.7 | N549 A551 C562 C564 F568 E569 G570 | N549-C573 PolarHBondContact ND2-O 3.07Å; A551-C573 HydrophobicContact CB-CB 3.67Å; A551-C573 WeakPolarHBondContact CB-SG 3.44Å; C562-C573 VanDerWaalsContact CB-SG 3.57Å; C564-C573 WeakPolarHBondContact CA-SG 3.02Å; C564-C573 HydrophobicContact CB-CB 3.74Å; C564-C573 WeakPolarHBondContact CB-SG 3.3Å; C564-C573 PolarHBondContact N-SG 3.03Å; C564-C573 WeakPolarHBondContact SG-CA 3.23Å; C564-C573 WeakPolarHBondContact SG-CB 3.33Å; C564-C573 CovalentContact SG-SG 2.03Å; C564-C573 PolarHBondContact SG-SG 2.8Å; F568-C573 HydrophobicContact CB-CB 4.3Å; E569-C573 CarbonylContact O-C 3.59Å; E569-C573 WeakPolarHBondContact O-CA 3.34Å; G570-C573 PolarHBondContact O-N 2.88Å |
| 574 | E | 93.3 | Very high | 87.5 | Confident | 80 Ų | 80 | 74.2 Ų | 74.2 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | trans | -80.2 | -18.5 | -175.3 | 72.1 | -76.2 | -174.5 | 0 | 0 | 114.3 | E569 G570 K571 H572 | E569-E574 PolarHBondContact O-N 3.01Å; E569-E574 VanDerWaalsContact O-N 3.17Å; G570-E574 VanDerWaalsContact C-OE2 3.27Å; G570-E574 WeakPolarHBondContact CA-OE1 3.19Å; G570-E574 WeakPolarHBondContact CA-OE2 3.41Å; K571-E574 PolarHBondContact N-OE1 2.83Å; K571-E574 PolarHBondContact N-OE2 2.9Å; K571-E574 VanDerWaalsContact N-OE2 3.15Å; H572-E574 VanDerWaalsContact C-OE2 3.24Å; H572-E574 VanDerWaalsContact CA-OE2 3.25Å; H572-E574 WeakPolarHBondContact CA-OE2 3.41Å; H572-E574 WeakPolarHBondContact CB-OE2 3.49Å; H572-E574 PolarHBondContact N-OE2 2.82Å; H572-E574 PolarHBondContact O-N 2.86Å | ||
| 575 | I | 88.6 | Confident | 87.3 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 41% | 0.41 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.1 | -175.8 | -50.4 | 178.4 | 0 | 0 | 0 | 109.3 | F568 E569 | F568-I575 CarbonylContact C-O 3.36Å; F568-I575 WeakPolarHBondContact CA-O 3.42Å; F568-I575 WeakPolarHBondContact CD1-O 3.47Å; E569-I575 HydrophobicContact CG-CB 3.99Å; E569-I575 HydrophobicContact CG-CG2 4.12Å; E569-I575 PolarHBondContact N-O 2.88Å; E569-I575 WeakPolarHBondContact O-CB 3.16Å; E569-I575 PolarHBondContact O-N 2.75Å |
| 576 | Y | 85.9 | Confident | 87.2 | Confident | 99 Ų | 99 | 75.6 Ų | 75.6 | 39% | 0.388 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 132.4 | 170.6 | 175.6 | -105.7 | 0 | 0 | 0 | 110.9 | Q567 F568 D578 G595 | Q567-Y576 HydrophobicContact CB-CD2 4.37Å; Q567-Y576 HydrophobicContact CB-CE2 4.08Å; Q567-Y576 WeakPolarHBondContact O-CD2 3.43Å; F568-Y576 HydrophobicContact CE1-CD2 4.08Å; F568-Y576 HydrophobicContact CE2-CD2 4.47Å; F568-Y576 HydrophobicContact CZ-CD2 4.04Å; Y576-D578 HydrophobicContact CD1-CB 4.2Å; Y576-D578 HydrophobicContact CE1-CB 4.12Å; Y576-D578 PolarHBondContact O-N 3.04Å; Y576-G595 PolarHBondContact OH-O 2.03Å |
| 577 | K | 84.3 | Confident | 87.2 | Confident | 76 Ų | 76 | 75 Ų | 75 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | trans | -81.3 | 90.7 | 173.5 | -65.5 | -178.1 | -166.3 | 140.2 | 0 | 109.9 | P566 Q567 F568 E569 P579 | P566-K577 PolarHBondContact O-NZ 2.86Å; Q567-K577 PolarHBondContact O-N 3Å; F568-K577 WeakPolarHBondContact O-CE 3.34Å; F568-K577 PolarHBondContact O-NZ 3.42Å; E569-K577 HydrophobicContact CB-CG 4.42Å; E569-K577 HydrophobicContact CG-CG 3.82Å; E569-K577 WeakPolarHBondContact OE2-CE 3.39Å; E569-K577 WeakPolarHBondContact OE2-CG 3.48Å; K577-P579 VanDerWaalsContact O-CD 3.25Å; K577-P579 WeakPolarHBondContact O-CD 3.34Å | ||
| 578 | D | 81.6 | Confident | 87 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | trans | -68.8 | 113 | 169.7 | 176.2 | 7.7 | 0 | 0 | 0 | 110.2 | Y576 C580 V581 | Y576-D578 HydrophobicContact CD1-CB 4.2Å; Y576-D578 HydrophobicContact CE1-CB 4.12Å; Y576-D578 PolarHBondContact O-N 3.04Å; D578-C580 PolarHBondContact O-N 3.17Å; D578-C580 VanDerWaalsContact OD1-CB 3.32Å; D578-C580 WeakPolarHBondContact OD1-CB 3.01Å; D578-C580 PolarHBondContact OD1-N 3.47Å; D578-V581 HydrophobicContact CB-CG2 3.89Å; D578-V581 PolarHBondContact O-N 2.04Å | ||
| 579 | P | 81.3 | Confident | 86.9 | Confident | 25 Ų | 25 | 73.5 Ų | 73.5 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -68.8 | -19.3 | -178.9 | 30.8 | -35.6 | 0 | 0 | 0 | 112.6 | K577 V581 L596 A598 | K577-P579 VanDerWaalsContact O-CD 3.25Å; K577-P579 WeakPolarHBondContact O-CD 3.34Å; P579-V581 PolarHBondContact O-N 2.88Å; P579-L596 WeakPolarHBondContact CB-O 3.27Å; P579-A598 HydrophobicContact CB-CB 3.73Å; P579-A598 HydrophobicContact CG-CB 3.99Å |
| 580 | C | 83.7 | Confident | 86.8 | Confident | 28 Ų | 28 | 77.6 Ų | 77.6 | 19% | 0.189 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -73.4 | -9.4 | 177.2 | -74.3 | 0 | 0 | 0 | 0 | 114 | D578 N582 C591 | D578-C580 PolarHBondContact O-N 3.17Å; D578-C580 VanDerWaalsContact OD1-CB 3.32Å; D578-C580 WeakPolarHBondContact OD1-CB 3.01Å; D578-C580 PolarHBondContact OD1-N 3.47Å; C580-N582 VanDerWaalsContact C-N 3.27Å; C580-N582 PolarHBondContact O-N 2.9Å; C580-C591 WeakPolarHBondContact CA-SG 3.3Å; C580-C591 HydrophobicContact CB-CB 3.77Å; C580-C591 WeakPolarHBondContact CB-SG 3.46Å; C580-C591 WeakPolarHBondContact SG-CB 3.02Å; C580-C591 CovalentContact SG-SG 2.04Å; C580-C591 PolarHBondContact SG-SG 3.42Å |
| 581 | V | 82.7 | Confident | 86.8 | Confident | 107 Ų | 107 | 77.9 Ų | 77.9 | 65% | 0.648 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -65.1 | -29.5 | 178.4 | 172.8 | 0 | 0 | 0 | 0 | 112.8 | D578 P579 | D578-V581 HydrophobicContact CB-CG2 3.89Å; D578-V581 PolarHBondContact O-N 2.04Å; P579-V581 PolarHBondContact O-N 2.88Å |
| 582 | N | 79.8 | Confident | 86.5 | Confident | 144 Ų | 144 | 76.6 Ų | 76.6 | 77% | 0.77 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -16.1 | -178.9 | -70.7 | -62.5 | 0 | 0 | 0 | 114.2 | C580 | C580-N582 VanDerWaalsContact C-N 3.27Å; C580-N582 PolarHBondContact O-N 2.9Å |
| 583 | V | 83.8 | Confident | 86 | Confident | 44 Ų | 44 | 77.1 Ų | 77.1 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | trans | -86.5 | 131.8 | 179.6 | 175.1 | 0 | 0 | 0 | 0 | 110 | A598 C600 | V583-A598 HydrophobicContact CB-CB 4.29Å; V583-A598 HydrophobicContact CG2-CB 3.71Å; V583-C600 VanDerWaalsContact CG1-SG 3.6Å | ||
| 584 | R | 86.1 | Confident | 85.1 | Confident | 198 Ų | 198 | 81.4 Ų | 81.4 | 75% | 0.747 | 43% | 0.433 | S | S | * | . | trans | -123.9 | 87.7 | -179.5 | -81.1 | -174.6 | -76.4 | -173.5 | -6 | 111.8 | Q586 | R584-Q586 PolarHBondContact O-N 2.98Š| ||
| 585 | C | 89.6 | Confident | 84.2 | Confident | 29 Ų | 29 | 79.3 Ų | 79.3 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | trans | -59.3 | 122.8 | 171.2 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | G589 C591 C600 E610 | C585-G589 VanDerWaalsContact CB-O 3.32Å; C585-G589 WeakPolarHBondContact CB-O 3.04Å; C585-C591 PolarHBondContact SG-N 3.33Å; C585-C591 VanDerWaalsContact SG-N 3.43Å; C585-C600 WeakPolarHBondContact CA-SG 3.27Å; C585-C600 HydrophobicContact CB-CB 3.75Å; C585-C600 WeakPolarHBondContact CB-SG 3.31Å; C585-C600 VanDerWaalsContact SG-CA 3.52Å; C585-C600 WeakPolarHBondContact SG-CB 3.3Å; C585-C600 CovalentContact SG-SG 2.03Å; C585-C600 PolarHBondContact SG-SG 2.85Å; C585-E610 CarbonylContact C-O 3.56Å | ||
| 586 | Q | 88.3 | Confident | 83.3 | Confident | 89 Ų | 89 | 79.7 Ų | 79.7 | 42% | 0.416 | 44% | 0.435 | S | S | . | . | trans | -86.7 | 174.1 | 179.1 | -51.4 | -170.3 | 38.3 | 0 | 0 | 109.7 | R584 G588 G589 E610 | R584-Q586 PolarHBondContact O-N 2.98Å; Q586-G588 PolarHBondContact O-N 3.33Å; Q586-G589 PolarHBondContact O-N 3.13Å; Q586-E610 WeakPolarHBondContact CB-O 3.44Å; Q586-E610 HydrophobicContact CG-CB 4.21Å; Q586-E610 PolarHBondContact N-O 2.86Å; Q586-E610 PolarHBondContact NE2-OE2 2.86Å | ||
| 587 | N | 85.6 | Confident | 82.9 | Confident | 77 Ų | 77 | 80.8 Ų | 80.8 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 23.5 | 172.7 | -57.6 | -38.2 | 0 | 0 | 0 | 116.5 | Y606 C611 | N587-Y606 HydrophobicContact CB-CD1 3.5Å; N587-Y606 HydrophobicContact CB-CD2 4.22Å; N587-Y606 HydrophobicContact CB-CE1 3.51Å; N587-Y606 HydrophobicContact CB-CE2 4.2Å; N587-Y606 HydrophobicContact CB-CG 3.88Å; N587-Y606 WeakPolarHBondContact ND2-CD1 3.48Å; N587-Y606 WeakPolarHBondContact ND2-CE1 3.45Å; N587-C611 PolarHBondContact ND2-O 3.01Å |
| 588 | G | 83.1 | Confident | 82.8 | Confident | 72 Ų | 72 | 78.4 Ų | 78.4 | 74% | 0.742 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q586 | Q586-G588 PolarHBondContact O-N 3.33Š|
| 589 | G | 88.2 | Confident | 83.1 | Confident | 16 Ų | 16 | 77.8 Ų | 77.8 | 17% | 0.165 | 44% | 0.443 | C | S | . | . | trans | -59 | 152.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C585 Q586 A601 | C585-G589 VanDerWaalsContact CB-O 3.32Å; C585-G589 WeakPolarHBondContact CB-O 3.04Å; Q586-G589 PolarHBondContact O-N 3.13Å; G589-A601 WeakPolarHBondContact CA-O 3.35Å | ||
| 590 | R | 88.6 | Confident | 83.5 | Confident | 181 Ų | 181 | 77.5 Ų | 77.5 | 68% | 0.683 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.2 | -179.9 | -170.8 | -172.9 | -161.7 | 96.7 | 5.6 | 109.7 | E592 A601 | R590-E592 PolarHBondContact O-N 2.69Å; R590-A601 HydrophobicContact CB-CB 4.47Å; R590-A601 PolarHBondContact N-O 3.32Å; R590-A601 PolarHBondContact O-N 3.03Å |
| 591 | C | 88.3 | Confident | 83.7 | Confident | 36 Ų | 36 | 78 Ų | 78 | 24% | 0.243 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 130.2 | 170.4 | -171 | 0 | 0 | 0 | 0 | 110.3 | C580 C585 | C580-C591 WeakPolarHBondContact CA-SG 3.3Å; C580-C591 HydrophobicContact CB-CB 3.77Å; C580-C591 WeakPolarHBondContact CB-SG 3.46Å; C580-C591 WeakPolarHBondContact SG-CB 3.02Å; C580-C591 CovalentContact SG-SG 2.04Å; C580-C591 PolarHBondContact SG-SG 3.42Å; C585-C591 PolarHBondContact SG-N 3.33Å; C585-C591 VanDerWaalsContact SG-N 3.43Å |
| 592 | E | 86.9 | Confident | 84 | Confident | 106 Ų | 106 | 75.1 Ų | 75.1 | 50% | 0.495 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.8 | 172.2 | -60.8 | -165 | 160.2 | 0 | 0 | 109.7 | R590 A598 S599 A601 | R590-E592 PolarHBondContact O-N 2.69Å; E592-A598 WeakPolarHBondContact O-CA 3.42Å; E592-S599 PolarHBondContact N-O 3.46Å; E592-S599 PolarHBondContact O-N 2.95Å; E592-S599 PolarHBondContact O-OG 3.19Å; E592-A601 HydrophobicContact CG-CB 4.09Å |
| 593 | S | 81.9 | Confident | 84.3 | Confident | 64 Ų | 64 | 70.6 Ų | 70.6 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 120.8 | -176.2 | 58.6 | 0 | 0 | 0 | 0 | 111.7 | N597 | S593-N597 CarbonylContact C-O 3.34Å |
| 594 | S | 76.3 | Confident | 84.3 | Confident | 90 Ų | 90 | 73 Ų | 73 | 63% | 0.629 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 79.7 | 171 | -75.1 | 0 | 0 | 0 | 0 | 110.1 | L596 N597 | S594-L596 PolarHBondContact O-N 3.01Å; S594-L596 VanDerWaalsContact O-N 3.13Å; S594-N597 PolarHBondContact N-O 2.84Å; S594-N597 PolarHBondContact O-N 2.82Å |
| 595 | G | 73.9 | Confident | 83.9 | Confident | 35 Ų | 35 | 64 Ų | 64 | 36% | 0.361 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | -99.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y576 | Y576-G595 PolarHBondContact OH-O 2.03Š|
| 596 | L | 69.9 | Low | 83.8 | Confident | 89 Ų | 89 | 64.5 Ų | 64.5 | 47% | 0.466 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -16.1 | 175.5 | -72.6 | 169.7 | 0 | 0 | 0 | 113.2 | P566 Q567 P579 S594 | P566-L596 HydrophobicContact CB-CD1 3.91Å; P566-L596 HydrophobicContact CB-CD2 4.39Å; Q567-L596 HydrophobicContact CB-CD2 4.31Å; Q567-L596 HydrophobicContact CG-CD2 3.63Å; Q567-L596 HydrophobicContact CG-CG 3.97Å; P579-L596 WeakPolarHBondContact CB-O 3.27Å; S594-L596 PolarHBondContact O-N 3.01Å; S594-L596 VanDerWaalsContact O-N 3.13Å |
| 597 | N | 76.4 | Confident | 83.6 | Confident | 121 Ų | 121 | 63.9 Ų | 63.9 | 65% | 0.647 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 140.7 | 179.7 | -67.9 | 14.3 | 0 | 0 | 0 | 109.2 | S593 S594 | S593-N597 CarbonylContact C-O 3.34Å; S594-N597 PolarHBondContact N-O 2.84Å; S594-N597 PolarHBondContact O-N 2.82Å |
| 598 | A | 83.5 | Confident | 83.6 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 143.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | P579 V583 E592 | P579-A598 HydrophobicContact CB-CB 3.73Å; P579-A598 HydrophobicContact CG-CB 3.99Å; V583-A598 HydrophobicContact CB-CB 4.29Å; V583-A598 HydrophobicContact CG2-CB 3.71Å; E592-A598 WeakPolarHBondContact O-CA 3.42Å |
| 599 | S | 86.7 | Confident | 83.6 | Confident | 56 Ų | 56 | 66 Ų | 66 | 39% | 0.392 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 143.2 | -179.9 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | E592 | E592-S599 PolarHBondContact N-O 3.46Å; E592-S599 PolarHBondContact O-N 2.95Å; E592-S599 PolarHBondContact O-OG 3.19Å |
| 600 | C | 89.5 | Confident | 83.6 | Confident | 18 Ų | 18 | 69 Ų | 69 | 12% | 0.122 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 117.9 | 177.8 | -67.6 | 0 | 0 | 0 | 0 | 111.7 | V583 C585 C602 E609 C611 | V583-C600 VanDerWaalsContact CG1-SG 3.6Å; C585-C600 WeakPolarHBondContact CA-SG 3.27Å; C585-C600 HydrophobicContact CB-CB 3.75Å; C585-C600 WeakPolarHBondContact CB-SG 3.31Å; C585-C600 VanDerWaalsContact SG-CA 3.52Å; C585-C600 WeakPolarHBondContact SG-CB 3.3Å; C585-C600 CovalentContact SG-SG 2.03Å; C585-C600 PolarHBondContact SG-SG 2.85Å; C600-C602 PolarHBondContact O-N 3.48Å; C600-E609 WeakPolarHBondContact CB-O 3.48Å; C600-C611 VanDerWaalsContact CB-SG 3.52Å |
| 601 | A | 89.6 | Confident | 83.7 | Confident | 39 Ų | 39 | 60.4 Ų | 60.4 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 106.9 | 165 | 0 | 0 | 0 | 0 | 0 | 108.8 | G589 R590 E592 | G589-A601 WeakPolarHBondContact CA-O 3.35Å; R590-A601 HydrophobicContact CB-CB 4.47Å; R590-A601 PolarHBondContact N-O 3.32Å; R590-A601 PolarHBondContact O-N 3.03Å; E592-A601 HydrophobicContact CG-CB 4.09Å |
| 602 | C | 88.6 | Confident | 83.7 | Confident | 46 Ų | 46 | 62.8 Ų | 62.8 | 31% | 0.311 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -80.1 | 144.3 | -176.3 | -53.9 | 0 | 0 | 0 | 0 | 112.6 | C600 Y606 C611 | C600-C602 PolarHBondContact O-N 3.48Å; C602-Y606 WeakPolarHBondContact CB-O 3.03Å; C602-C611 WeakPolarHBondContact CA-SG 3.02Å; C602-C611 HydrophobicContact CB-CB 3.75Å; C602-C611 WeakPolarHBondContact CB-SG 3.25Å; C602-C611 WeakPolarHBondContact SG-CA 3.01Å; C602-C611 WeakPolarHBondContact SG-CB 3.19Å; C602-C611 CovalentContact SG-SG 2.03Å; C602-C611 PolarHBondContact SG-SG 3.33Å |
| 603 | P | 85.3 | Confident | 83.6 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 164.2 | 168.1 | 30.7 | -31.8 | 0 | 0 | 0 | 110.4 | Y606 | P603-Y606 HydrophobicContact CG-CD2 3.85Å; P603-Y606 HydrophobicContact CG-CG 4.43Å; P603-Y606 PolarHBondContact O-N 2.85Å |
| 604 | S | 83.6 | Confident | 83.7 | Confident | 95 Ų | 95 | 60.7 Ų | 60.7 | 66% | 0.664 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 144.5 | 170.5 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | Y606 N634 | S604-Y606 VanDerWaalsContact C-N 3.31Å; S604-N634 WeakPolarHBondContact CB-OD1 3.31Å; S604-N634 PolarHBondContact O-OD1 2.83Å |
| 605 | G | 79.1 | Confident | 84.1 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 7% | 0.072 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 0.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I615 N634 | G605-I615 WeakPolarHBondContact O-CG1 3.25Å; G605-I615 PolarHBondContact O-N 3Å; G605-N634 PolarHBondContact N-OD1 3.25Å |
| 606 | Y | 86 | Confident | 84.5 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 16% | 0.157 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 148.2 | -179.9 | -66.2 | -83.9 | 0 | 0 | 0 | 113.9 | N587 C602 P603 S604 V613 D614 S633 | N587-Y606 HydrophobicContact CB-CD1 3.5Å; N587-Y606 HydrophobicContact CB-CD2 4.22Å; N587-Y606 HydrophobicContact CB-CE1 3.51Å; N587-Y606 HydrophobicContact CB-CE2 4.2Å; N587-Y606 HydrophobicContact CB-CG 3.88Å; N587-Y606 WeakPolarHBondContact ND2-CD1 3.48Å; N587-Y606 WeakPolarHBondContact ND2-CE1 3.45Å; C602-Y606 WeakPolarHBondContact CB-O 3.03Å; P603-Y606 HydrophobicContact CG-CD2 3.85Å; P603-Y606 HydrophobicContact CG-CG 4.43Å; P603-Y606 PolarHBondContact O-N 2.85Å; S604-Y606 VanDerWaalsContact C-N 3.31Å; Y606-V613 CarbonylContact C-O 3.56Å; Y606-V613 WeakPolarHBondContact CA-O 3.42Å; Y606-D614 HydrophobicContact CD1-CB 4.19Å; Y606-D614 HydrophobicContact CE1-CB 3.76Å; Y606-D614 WeakPolarHBondContact CE1-OD2 3.5Å; Y606-D614 PolarHBondContact OH-OD2 2.74Å; Y606-S633 VanDerWaalsContact OH-CB 3.25Å; Y606-S633 WeakPolarHBondContact OH-CB 3.04Å |
| 607 | V | 85.7 | Confident | 85.2 | Confident | 77 Ų | 77 | 59.2 Ų | 59.2 | 47% | 0.467 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 168.5 | 179.8 | 70.4 | 0 | 0 | 0 | 0 | 110.6 | C611 E612 V613 I615 | V607-C611 CarbonylContact O-C 3.29Å; V607-C611 WeakPolarHBondContact O-CA 3.02Å; V607-E612 PolarHBondContact O-N 2.95Å; V607-V613 HydrophobicContact CG1-CB 3.84Å; V607-V613 HydrophobicContact CG1-CG1 4.05Å; V607-V613 PolarHBondContact N-O 3.08Å; V607-V613 WeakPolarHBondContact O-CA 3.45Å; V607-V613 WeakPolarHBondContact O-CB 3.4Å; V607-V613 PolarHBondContact O-N 2.94Å; V607-I615 HydrophobicContact CB-CD1 4.29Å; V607-I615 HydrophobicContact CB-CG1 4.26Å; V607-I615 HydrophobicContact CG1-CG1 4Å |
| 608 | G | 85 | Confident | 85.5 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | S | Bend | trans | 115.9 | 168.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E610 C611 E612 | G608-E610 VanDerWaalsContact C-N 3.32Å; G608-C611 PolarHBondContact O-N 2.87Å; G608-E612 WeakPolarHBondContact CA-OE2 3.49Å |
| 609 | E | 83.9 | Confident | 85.5 | Confident | 163 Ų | 163 | 60.8 Ų | 60.8 | 76% | 0.762 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -71.7 | -28.6 | -179.8 | -70.3 | -75.6 | 155.6 | 0 | 0 | 111.8 | C600 E612 | C600-E609 WeakPolarHBondContact CB-O 3.48Å; E609-E612 PolarHBondContact N-OE2 2.84Å |
| 610 | E | 88.1 | Confident | 85.3 | Confident | 79 Ų | 79 | 62.4 Ų | 62.4 | 37% | 0.369 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -108.2 | 11.3 | 171.1 | -62.9 | -166.3 | 155.8 | 0 | 0 | 112.2 | C585 Q586 G608 E612 | C585-E610 CarbonylContact C-O 3.56Å; Q586-E610 WeakPolarHBondContact CB-O 3.44Å; Q586-E610 HydrophobicContact CG-CB 4.21Å; Q586-E610 PolarHBondContact N-O 2.86Å; Q586-E610 PolarHBondContact NE2-OE2 2.86Å; G608-E610 VanDerWaalsContact C-N 3.32Å; E610-E612 WeakPolarHBondContact CA-OE2 3.34Å; E610-E612 PolarHBondContact N-OE2 2.88Å; E610-E612 PolarHBondContact O-N 3.27Å |
| 611 | C | 89.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 38% | 0.382 | C | S | . | . | S | Bend | trans | 60 | 30.6 | -171.2 | -47.4 | 0 | 0 | 0 | 0 | 113.9 | N587 C600 C602 V607 G608 | N587-C611 PolarHBondContact ND2-O 3.01Å; C600-C611 VanDerWaalsContact CB-SG 3.52Å; C602-C611 WeakPolarHBondContact CA-SG 3.02Å; C602-C611 HydrophobicContact CB-CB 3.75Å; C602-C611 WeakPolarHBondContact CB-SG 3.25Å; C602-C611 WeakPolarHBondContact SG-CA 3.01Å; C602-C611 WeakPolarHBondContact SG-CB 3.19Å; C602-C611 CovalentContact SG-SG 2.03Å; C602-C611 PolarHBondContact SG-SG 3.33Å; V607-C611 CarbonylContact O-C 3.29Å; V607-C611 WeakPolarHBondContact O-CA 3.02Å; G608-C611 PolarHBondContact O-N 2.87Å |
| 612 | E | 88.4 | Confident | 84.6 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 41% | 0.407 | 37% | 0.371 | S | S | . | . | trans | -77.9 | -14.9 | -172.7 | 72.2 | -73.9 | 176.7 | 0 | 0 | 114.7 | V607 G608 E609 E610 | V607-E612 PolarHBondContact O-N 2.95Å; G608-E612 WeakPolarHBondContact CA-OE2 3.49Å; E609-E612 PolarHBondContact N-OE2 2.84Å; E610-E612 WeakPolarHBondContact CA-OE2 3.34Å; E610-E612 PolarHBondContact N-OE2 2.88Å; E610-E612 PolarHBondContact O-N 3.27Å | ||
| 613 | V | 85.6 | Confident | 84.5 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 42% | 0.424 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.2 | -177.2 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | Y606 V607 | Y606-V613 CarbonylContact C-O 3.56Å; Y606-V613 WeakPolarHBondContact CA-O 3.42Å; V607-V613 HydrophobicContact CG1-CB 3.84Å; V607-V613 HydrophobicContact CG1-CG1 4.05Å; V607-V613 PolarHBondContact N-O 3.08Å; V607-V613 WeakPolarHBondContact O-CA 3.45Å; V607-V613 WeakPolarHBondContact O-CB 3.4Å; V607-V613 PolarHBondContact O-N 2.94Å |
| 614 | D | 82.9 | Confident | 84.4 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 138.2 | 169.2 | -158.4 | -67.1 | 0 | 0 | 0 | 109.2 | Y606 N616 | Y606-D614 HydrophobicContact CD1-CB 4.19Å; Y606-D614 HydrophobicContact CE1-CB 3.76Å; Y606-D614 WeakPolarHBondContact CE1-OD2 3.5Å; Y606-D614 PolarHBondContact OH-OD2 2.74Å; D614-N616 PolarHBondContact O-N 2.94Å |
| 615 | I | 84.2 | Confident | 84.3 | Confident | 68 Ų | 68 | 67.9 Ų | 67.9 | 35% | 0.349 | 36% | 0.36 | S | S | . | . | trans | -88.2 | 107.5 | -173.3 | -62.1 | 174.3 | 0 | 0 | 0 | 109.4 | G605 V607 E617 | G605-I615 WeakPolarHBondContact O-CG1 3.25Å; G605-I615 PolarHBondContact O-N 3Å; V607-I615 HydrophobicContact CB-CD1 4.29Å; V607-I615 HydrophobicContact CB-CG1 4.26Å; V607-I615 HydrophobicContact CG1-CG1 4Å; I615-E617 HydrophobicContact CG2-CG 4.43Å; I615-E617 PolarHBondContact O-N 3.43Å | ||
| 616 | N | 82.6 | Confident | 84.3 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | trans | -67.8 | 92.3 | 177.5 | -171.2 | -79.1 | 0 | 0 | 0 | 111.7 | D614 C618 E619 D631 | D614-N616 PolarHBondContact O-N 2.94Å; N616-C618 PolarHBondContact O-N 3.41Å; N616-C618 WeakPolarHBondContact OD1-CB 3.04Å; N616-C618 PolarHBondContact OD1-N 2.82Å; N616-E619 HydrophobicContact CB-CG 4.26Å; N616-E619 PolarHBondContact O-N 2.89Å; N616-E619 PolarHBondContact OD1-N 3.45Å; N616-D631 VanDerWaalsContact CA-OD1 3.27Å; N616-D631 WeakPolarHBondContact CA-OD1 3.35Å; N616-D631 WeakPolarHBondContact CA-OD2 3.34Å; N616-D631 PolarHBondContact ND2-OD1 3.21Å; N616-D631 PolarHBondContact ND2-OD2 2.04Å | ||
| 617 | E | 84.2 | Confident | 84.2 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 22% | 0.22 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -69.8 | -17.5 | -179.6 | -72.7 | 126.3 | -178.4 | 0 | 0 | 112.2 | I615 E619 S620 D631 G635 Y636 | I615-E617 HydrophobicContact CG2-CG 4.43Å; I615-E617 PolarHBondContact O-N 3.43Å; E617-E619 VanDerWaalsContact C-N 3.29Å; E617-E619 PolarHBondContact O-N 3.23Å; E617-S620 WeakPolarHBondContact O-CB 3.29Å; E617-S620 PolarHBondContact O-N 3.2Å; E617-S620 PolarHBondContact O-OG 3.29Å; E617-D631 PolarHBondContact N-OD1 3.18Å; E617-D631 VanDerWaalsContact N-OD1 3.16Å; E617-G635 WeakPolarHBondContact OE2-CA 3.31Å; E617-G635 PolarHBondContact OE2-N 2.85Å; E617-Y636 HydrophobicContact CB-CD1 3.96Å |
| 618 | C | 83.9 | Confident | 84.2 | Confident | 19 Ų | 19 | 70.3 Ų | 70.3 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -65 | -23.1 | 172.3 | -73.8 | 0 | 0 | 0 | 0 | 114.6 | N616 S620 N621 C629 I630 D631 | N616-C618 PolarHBondContact O-N 3.41Å; N616-C618 WeakPolarHBondContact OD1-CB 3.04Å; N616-C618 PolarHBondContact OD1-N 2.82Å; C618-S620 PolarHBondContact O-N 2.85Å; C618-N621 PolarHBondContact O-N 2.85Å; C618-C629 WeakPolarHBondContact CA-SG 3.48Å; C618-C629 HydrophobicContact CB-CB 3.75Å; C618-C629 WeakPolarHBondContact CB-SG 3.04Å; C618-C629 WeakPolarHBondContact SG-CB 3.47Å; C618-C629 CovalentContact SG-SG 2.04Å; C618-C629 PolarHBondContact SG-SG 3.25Å; C618-I630 VanDerWaalsContact SG-C 3.52Å; C618-D631 PolarHBondContact N-OD1 2.81Å; C618-D631 PolarHBondContact SG-N 3.45Å |
| 619 | E | 83.8 | Confident | 84.4 | Confident | 161 Ų | 161 | 70.6 Ų | 70.6 | 75% | 0.752 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -58.7 | -29.9 | 173.3 | -72 | -156.2 | 152.3 | 0 | 0 | 112.3 | N616 E617 N621 | N616-E619 HydrophobicContact CB-CG 4.26Å; N616-E619 PolarHBondContact O-N 2.89Å; N616-E619 PolarHBondContact OD1-N 3.45Å; E617-E619 VanDerWaalsContact C-N 3.29Å; E617-E619 PolarHBondContact O-N 3.23Å; E619-N621 PolarHBondContact O-N 3.45Å; E619-N621 VanDerWaalsContact O-N 3.12Å; E619-N621 PolarHBondContact O-ND2 3.48Å |
| 620 | S | 81.4 | Confident | 84.4 | Confident | 90 Ų | 90 | 66.5 Ų | 66.5 | 63% | 0.629 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -68.9 | -5.7 | 176 | 73.8 | 0 | 0 | 0 | 0 | 114.2 | E617 C618 P622 | E617-S620 WeakPolarHBondContact O-CB 3.29Å; E617-S620 PolarHBondContact O-N 3.2Å; E617-S620 PolarHBondContact O-OG 3.29Å; C618-S620 PolarHBondContact O-N 2.85Å; S620-P622 WeakPolarHBondContact OG-CD 3.45Å |
| 621 | N | 81.1 | Confident | 84.1 | Confident | 128 Ų | 128 | 65.4 Ų | 65.4 | 68% | 0.684 | 37% | 0.37 | S | S | * | . | trans | 51.8 | 54.8 | -173.8 | -70.1 | -102.5 | 0 | 0 | 0 | 113 | C618 E619 C623 | C618-N621 PolarHBondContact O-N 2.85Å; E619-N621 PolarHBondContact O-N 3.45Å; E619-N621 VanDerWaalsContact O-N 3.12Å; E619-N621 PolarHBondContact O-ND2 3.48Å; N621-C623 VanDerWaalsContact C-N 3.28Å; N621-C623 PolarHBondContact O-N 3.2Å | ||
| 622 | P | 84.1 | Confident | 83.7 | Confident | 14 Ų | 14 | 69.9 Ų | 69.9 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | trans | -73.3 | -17.7 | -172.2 | 31.9 | -35.9 | 0 | 0 | 0 | 113.5 | S620 H624 Y636 S648 | S620-P622 WeakPolarHBondContact OG-CD 3.45Å; P622-H624 PolarHBondContact O-N 3.23Å; P622-Y636 HydrophobicContact CB-CD1 4.3Å; P622-Y636 HydrophobicContact CB-CD2 4.14Å; P622-Y636 HydrophobicContact CB-CE1 3.85Å; P622-Y636 HydrophobicContact CB-CE2 3.68Å; P622-Y636 HydrophobicContact CB-CG 4.44Å; P622-Y636 HydrophobicContact CG-CD1 3.89Å; P622-Y636 HydrophobicContact CG-CD2 3.63Å; P622-Y636 HydrophobicContact CG-CE1 3.97Å; P622-Y636 HydrophobicContact CG-CE2 3.72Å; P622-Y636 HydrophobicContact CG-CG 3.73Å; P622-S648 VanDerWaalsContact O-CB 3.24Å; P622-S648 WeakPolarHBondContact O-CB 3.03Å | ||
| 623 | C | 85.7 | Confident | 83.1 | Confident | 19 Ų | 19 | 69.7 Ų | 69.7 | 13% | 0.128 | 40% | 0.399 | C | S | . | . | trans | -82.8 | 112.9 | -178.9 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | N621 G627 C629 C638 | N621-C623 VanDerWaalsContact C-N 3.28Å; N621-C623 PolarHBondContact O-N 3.2Å; C623-G627 WeakPolarHBondContact CB-O 3.12Å; C623-C629 HydrophobicContact CB-CB 4.45Å; C623-C629 WeakPolarHBondContact SG-CA 3.04Å; C623-C629 WeakPolarHBondContact SG-CB 3.06Å; C623-C629 VanDerWaalsContact SG-SG 3.6Å; C623-C638 WeakPolarHBondContact CA-SG 3.06Å; C623-C638 HydrophobicContact CB-CB 3.79Å; C623-C638 WeakPolarHBondContact CB-SG 3.49Å; C623-C638 WeakPolarHBondContact SG-CA 3.43Å; C623-C638 WeakPolarHBondContact SG-CB 3.44Å; C623-C638 CovalentContact SG-SG 2.03Å; C623-C638 PolarHBondContact SG-SG 3.14Å | ||
| 624 | H | 83.1 | Confident | 82.5 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 45% | 0.449 | 40% | 0.401 | S | S | . | . | trans | -81 | 170.7 | 179.3 | -59.3 | -42.9 | 0 | 0 | 0 | 112.7 | P622 G626 G627 S648 | P622-H624 PolarHBondContact O-N 3.23Å; H624-G626 PolarHBondContact O-N 3.22Å; H624-G627 PolarHBondContact O-N 3Å; H624-S648 WeakPolarHBondContact CB-O 3.02Å; H624-S648 PolarHBondContact N-O 3.33Å | ||
| 625 | H | 81.6 | Confident | 82.3 | Confident | 106 Ų | 106 | 68.8 Ų | 68.8 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 22.4 | 173.8 | -51.3 | 111 | 0 | 0 | 0 | 116.2 | W644 C649 | H625-W644 HydrophobicContact CB-CD2 4.32Å; H625-W644 AromaticContact CD2-CH2 3.89Å; H625-W644 AromaticContact CD2-CZ2 3.99Å; H625-W644 AromaticContact CE1-CE3 3.92Å; H625-W644 AromaticContact CE1-CH2 3.47Å; H625-W644 VanDerWaalsContact CE1-CH2 3.47Å; H625-W644 WeakPolarHBondContact CE1-CH2 3.37Å; H625-W644 AromaticContact CE1-CZ3 3.29Å; H625-W644 WeakPolarHBondContact CE1-CZ3 3.22Å; H625-W644 AromaticContact CG-CH2 3.93Å; H625-W644 AromaticContact CG-CZ2 3.93Å; H625-W644 AromaticContact ND1-CD2 3.92Å; H625-W644 AromaticContact ND1-CE3 3.49Å; H625-W644 AromaticContact ND1-CH2 3.68Å; H625-W644 AromaticContact ND1-CZ3 3.36Å; H625-W644 WeakPolarHBondContact ND1-CZ3 3.48Å; H625-W644 AromaticContact NE2-CH2 3.62Å; H625-W644 AromaticContact NE2-CZ3 3.94Å; H625-C649 PolarHBondContact ND1-O 2.8Å |
| 626 | G | 79.1 | Confident | 82.4 | Confident | 69 Ų | 69 | 69.7 Ų | 69.7 | 71% | 0.711 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 18.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | H624 | H624-G626 PolarHBondContact O-N 3.22Š|
| 627 | G | 84.2 | Confident | 82.5 | Confident | 13 Ų | 13 | 68.8 Ų | 68.8 | 13% | 0.134 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 143 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C623 H624 H639 | C623-G627 WeakPolarHBondContact CB-O 3.12Å; H624-G627 PolarHBondContact O-N 3Å; G627-H639 CarbonylContact C-O 3.52Å; G627-H639 VanDerWaalsContact CA-O 3.25Å; G627-H639 WeakPolarHBondContact CA-O 3.43Å |
| 628 | T | 86.2 | Confident | 82.7 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 56% | 0.564 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 123.3 | 177.2 | -57.4 | 0 | 0 | 0 | 0 | 109.6 | H639 | T628-H639 PolarHBondContact N-O 2.69Å; T628-H639 PolarHBondContact O-N 3.16Å |
| 629 | C | 88.2 | Confident | 82.8 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 25% | 0.25 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 133.2 | 176.4 | -159.6 | 0 | 0 | 0 | 0 | 111 | C618 C623 | C618-C629 WeakPolarHBondContact CA-SG 3.48Å; C618-C629 HydrophobicContact CB-CB 3.75Å; C618-C629 WeakPolarHBondContact CB-SG 3.04Å; C618-C629 WeakPolarHBondContact SG-CB 3.47Å; C618-C629 CovalentContact SG-SG 2.04Å; C618-C629 PolarHBondContact SG-SG 3.25Å; C623-C629 HydrophobicContact CB-CB 4.45Å; C623-C629 WeakPolarHBondContact SG-CA 3.04Å; C623-C629 WeakPolarHBondContact SG-CB 3.06Å; C623-C629 VanDerWaalsContact SG-SG 3.6Å |
| 630 | I | 84.6 | Confident | 82.9 | Confident | 77 Ų | 77 | 65.9 Ų | 65.9 | 40% | 0.395 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 125 | 166.4 | -61.2 | -170.3 | 0 | 0 | 0 | 108.4 | C618 T637 H639 | C618-I630 VanDerWaalsContact SG-C 3.52Å; I630-T637 PolarHBondContact N-O 2.95Å; I630-T637 PolarHBondContact O-N 2.84Å; I630-H639 VanDerWaalsContact CD1-CD2 3.48Å; I630-H639 WeakPolarHBondContact CD1-CD2 3.42Å |
| 631 | D | 82.6 | Confident | 82.9 | Confident | 55 Ų | 55 | 64 Ų | 64 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 143.7 | 180 | -147.6 | 48.5 | 0 | 0 | 0 | 111.3 | N616 E617 C618 | N616-D631 VanDerWaalsContact CA-OD1 3.27Å; N616-D631 WeakPolarHBondContact CA-OD1 3.35Å; N616-D631 WeakPolarHBondContact CA-OD2 3.34Å; N616-D631 PolarHBondContact ND2-OD1 3.21Å; N616-D631 PolarHBondContact ND2-OD2 2.04Å; E617-D631 PolarHBondContact N-OD1 3.18Å; E617-D631 VanDerWaalsContact N-OD1 3.16Å; C618-D631 PolarHBondContact N-OD1 2.81Å; C618-D631 PolarHBondContact SG-N 3.45Å |
| 632 | Q | 79.9 | Confident | 82.8 | Confident | 95 Ų | 95 | 66.6 Ų | 66.6 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 160 | 177.5 | -52.8 | 179 | -19 | 0 | 0 | 109.4 | N634 G635 T637 | Q632-N634 PolarHBondContact O-N 2.03Å; Q632-G635 CarbonylContact C-O 3.44Å; Q632-G635 VanDerWaalsContact C-O 3.29Å; Q632-G635 VanDerWaalsContact CA-O 3.24Å; Q632-G635 WeakPolarHBondContact CA-O 3.02Å; Q632-G635 WeakPolarHBondContact CB-O 3.38Å; Q632-G635 PolarHBondContact N-O 3.16Å; Q632-G635 PolarHBondContact O-N 3.46Å; Q632-T637 PolarHBondContact NE2-OG1 2.04Å; Q632-T637 PolarHBondContact OE1-OG1 3.4Å |
| 633 | S | 75.7 | Confident | 82.4 | Confident | 83 Ų | 83 | 67.7 Ų | 67.7 | 58% | 0.58 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 110.3 | 179.4 | 53.9 | 0 | 0 | 0 | 0 | 111.3 | Y606 | Y606-S633 VanDerWaalsContact OH-CB 3.25Å; Y606-S633 WeakPolarHBondContact OH-CB 3.04Å |
| 634 | N | 72.6 | Confident | 82.2 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 46% | 0.455 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 54.6 | -173.8 | 177.8 | 87.4 | 0 | 0 | 0 | 112 | S604 G605 Q632 | S604-N634 WeakPolarHBondContact CB-OD1 3.31Å; S604-N634 PolarHBondContact O-OD1 2.83Å; G605-N634 PolarHBondContact N-OD1 3.25Å; Q632-N634 PolarHBondContact O-N 2.03Å |
| 635 | G | 80.3 | Confident | 82.1 | Confident | 22 Ų | 22 | 68.3 Ų | 68.3 | 23% | 0.227 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.7 | 161.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | E617 Q632 | E617-G635 WeakPolarHBondContact OE2-CA 3.31Å; E617-G635 PolarHBondContact OE2-N 2.85Å; Q632-G635 CarbonylContact C-O 3.44Å; Q632-G635 VanDerWaalsContact C-O 3.29Å; Q632-G635 VanDerWaalsContact CA-O 3.24Å; Q632-G635 WeakPolarHBondContact CA-O 3.02Å; Q632-G635 WeakPolarHBondContact CB-O 3.38Å; Q632-G635 PolarHBondContact N-O 3.16Å; Q632-G635 PolarHBondContact O-N 3.46Å |
| 636 | Y | 85.3 | Confident | 82.1 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 156.7 | 170.7 | 63.9 | -88.4 | 0 | 0 | 0 | 111.6 | E617 P622 | E617-Y636 HydrophobicContact CB-CD1 3.96Å; P622-Y636 HydrophobicContact CB-CD1 4.3Å; P622-Y636 HydrophobicContact CB-CD2 4.14Å; P622-Y636 HydrophobicContact CB-CE1 3.85Å; P622-Y636 HydrophobicContact CB-CE2 3.68Å; P622-Y636 HydrophobicContact CB-CG 4.44Å; P622-Y636 HydrophobicContact CG-CD1 3.89Å; P622-Y636 HydrophobicContact CG-CD2 3.63Å; P622-Y636 HydrophobicContact CG-CE1 3.97Å; P622-Y636 HydrophobicContact CG-CE2 3.72Å; P622-Y636 HydrophobicContact CG-CG 3.73Å |
| 637 | T | 85.6 | Confident | 82.2 | Confident | 49 Ų | 49 | 65.6 Ų | 65.6 | 30% | 0.301 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.3 | 168.1 | -76.4 | 0 | 0 | 0 | 0 | 109.8 | I630 Q632 | I630-T637 PolarHBondContact N-O 2.95Å; I630-T637 PolarHBondContact O-N 2.84Å; Q632-T637 PolarHBondContact NE2-OG1 2.04Å; Q632-T637 PolarHBondContact OE1-OG1 3.4Å |
| 638 | C | 87 | Confident | 82.2 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 10% | 0.095 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.1 | 172.8 | -62.8 | 0 | 0 | 0 | 0 | 112 | C623 P647 C649 | C623-C638 WeakPolarHBondContact CA-SG 3.06Å; C623-C638 HydrophobicContact CB-CB 3.79Å; C623-C638 WeakPolarHBondContact CB-SG 3.49Å; C623-C638 WeakPolarHBondContact SG-CA 3.43Å; C623-C638 WeakPolarHBondContact SG-CB 3.44Å; C623-C638 CovalentContact SG-SG 2.03Å; C623-C638 PolarHBondContact SG-SG 3.14Å; C638-P647 WeakPolarHBondContact CB-O 3.49Å; C638-P647 PolarHBondContact SG-O 2.87Å; C638-C649 WeakPolarHBondContact CB-SG 3.32Å |
| 639 | H | 87.4 | Confident | 82.2 | Confident | 111 Ų | 111 | 61.4 Ų | 61.4 | 51% | 0.514 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 106.3 | 166 | -74.8 | -34.6 | 0 | 0 | 0 | 110.4 | G627 T628 I630 | G627-H639 CarbonylContact C-O 3.52Å; G627-H639 VanDerWaalsContact CA-O 3.25Å; G627-H639 WeakPolarHBondContact CA-O 3.43Å; T628-H639 PolarHBondContact N-O 2.69Å; T628-H639 PolarHBondContact O-N 3.16Å; I630-H639 VanDerWaalsContact CD1-CD2 3.48Å; I630-H639 WeakPolarHBondContact CD1-CD2 3.42Å |
| 640 | C | 84.8 | Confident | 82 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 28% | 0.284 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 145.1 | -172.5 | -53 | 0 | 0 | 0 | 0 | 113.7 | W644 C649 | C640-W644 HydrophobicContact CB-CB 4.2Å; C640-W644 VanDerWaalsContact CB-O 3.26Å; C640-W644 WeakPolarHBondContact CB-O 3.36Å; C640-C649 WeakPolarHBondContact CA-SG 3.39Å; C640-C649 HydrophobicContact CB-CB 3.73Å; C640-C649 WeakPolarHBondContact CB-SG 3.23Å; C640-C649 WeakPolarHBondContact SG-CA 3.49Å; C640-C649 WeakPolarHBondContact SG-CB 3.37Å; C640-C649 CovalentContact SG-SG 2.04Å; C640-C649 PolarHBondContact SG-SG 2.04Å |
| 641 | P | 82.6 | Confident | 81.8 | Confident | 51 Ų | 51 | 63.7 Ų | 63.7 | 33% | 0.331 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 155.5 | 171.1 | 29.6 | -34 | 0 | 0 | 0 | 111.7 | G643 W644 | P641-G643 PolarHBondContact O-N 2.87Å; P641-W644 HydrophobicContact CG-CG 4.48Å; P641-W644 PolarHBondContact O-N 3.16Å |
| 642 | L | 77.6 | Confident | 81.4 | Confident | 182 Ų | 182 | 65.7 Ų | 65.7 | 95% | 0.953 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 123.9 | -176.5 | -65.9 | 172.2 | 0 | 0 | 0 | 112.3 | ||
| 643 | G | 75.8 | Confident | 80.9 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 38% | 0.381 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.3 | -20.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | P641 L653 | P641-G643 PolarHBondContact O-N 2.87Å; G643-L653 PolarHBondContact O-N 3.37Å |
| 644 | W | 82.2 | Confident | 80.2 | Confident | 72 Ų | 72 | 69 Ų | 69 | 27% | 0.273 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 143.1 | 178.4 | -62.5 | 87.6 | 0 | 0 | 0 | 112 | H625 C640 P641 C649 I651 H652 | H625-W644 HydrophobicContact CB-CD2 4.32Å; H625-W644 AromaticContact CD2-CH2 3.89Å; H625-W644 AromaticContact CD2-CZ2 3.99Å; H625-W644 AromaticContact CE1-CE3 3.92Å; H625-W644 AromaticContact CE1-CH2 3.47Å; H625-W644 VanDerWaalsContact CE1-CH2 3.47Å; H625-W644 WeakPolarHBondContact CE1-CH2 3.37Å; H625-W644 AromaticContact CE1-CZ3 3.29Å; H625-W644 WeakPolarHBondContact CE1-CZ3 3.22Å; H625-W644 AromaticContact CG-CH2 3.93Å; H625-W644 AromaticContact CG-CZ2 3.93Å; H625-W644 AromaticContact ND1-CD2 3.92Å; H625-W644 AromaticContact ND1-CE3 3.49Å; H625-W644 AromaticContact ND1-CH2 3.68Å; H625-W644 AromaticContact ND1-CZ3 3.36Å; H625-W644 WeakPolarHBondContact ND1-CZ3 3.48Å; H625-W644 AromaticContact NE2-CH2 3.62Å; H625-W644 AromaticContact NE2-CZ3 3.94Å; C640-W644 HydrophobicContact CB-CB 4.2Å; C640-W644 VanDerWaalsContact CB-O 3.26Å; C640-W644 WeakPolarHBondContact CB-O 3.36Å; P641-W644 HydrophobicContact CG-CG 4.48Å; P641-W644 PolarHBondContact O-N 3.16Å; W644-C649 HydrophobicContact CB-CB 4.47Å; W644-C649 VanDerWaalsContact CE3-O 3.29Å; W644-I651 CarbonylContact C-O 3.57Å; W644-I651 WeakPolarHBondContact CA-O 3.31Å; W644-H652 HydrophobicContact CD2-CB 4.37Å; W644-H652 AromaticContact CE2-CD2 3.96Å; W644-H652 HydrophobicContact CE3-CB 4Å; W644-H652 HydrophobicContact CH2-CB 4.12Å; W644-H652 HydrophobicContact CZ2-CB 4.46Å; W644-H652 HydrophobicContact CZ3-CB 3.86Å |
| 645 | V | 80.7 | Confident | 79.2 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 34% | 0.339 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | -177.2 | 175.2 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | E650 I651 L653 | V645-E650 PolarHBondContact O-N 2.03Å; V645-I651 HydrophobicContact CG2-CB 3.98Å; V645-I651 HydrophobicContact CG2-CG2 4.22Å; V645-I651 PolarHBondContact N-O 2.04Å; V645-I651 WeakPolarHBondContact O-CA 3.31Å; V645-I651 WeakPolarHBondContact O-CB 3.26Å; V645-I651 PolarHBondContact O-N 3.35Å; V645-L653 HydrophobicContact CG1-CD1 3.69Å; V645-L653 HydrophobicContact CG1-CG 4.07Å; V645-L653 HydrophobicContact CG2-CD1 4.31Å; V645-L653 HydrophobicContact CG2-CD2 3.83Å; V645-L653 HydrophobicContact CG2-CG 3.81Å |
| 646 | G | 82.1 | Confident | 77 | Confident | 25 Ų | 25 | 84 Ų | 84 | 26% | 0.258 | 43% | 0.426 | S | S | . | . | S | Bend | trans | 96.9 | 158.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S648 C649 E650 | G646-S648 PolarHBondContact O-N 3.35Å; G646-C649 PolarHBondContact O-N 3.36Å; G646-E650 VanDerWaalsContact CA-OE2 3.27Å; G646-E650 WeakPolarHBondContact CA-OE2 3.25Å |
| 647 | P | 81.4 | Confident | 75.2 | Confident | 93 Ų | 93 | 85.7 Ų | 85.7 | 60% | 0.604 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.1 | -175.4 | 23.3 | -36 | 0 | 0 | 0 | 114.1 | C638 E650 | C638-P647 WeakPolarHBondContact CB-O 3.49Å; C638-P647 PolarHBondContact SG-O 2.87Å; P647-E650 VanDerWaalsContact CD-OE1 3.3Å; P647-E650 WeakPolarHBondContact CD-OE1 3.21Å |
| 648 | S | 84.5 | Confident | 72.6 | Confident | 18 Ų | 18 | 87.8 Ų | 87.8 | 13% | 0.126 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 17 | 178.8 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | P622 H624 G646 E650 | P622-S648 VanDerWaalsContact O-CB 3.24Å; P622-S648 WeakPolarHBondContact O-CB 3.03Å; H624-S648 WeakPolarHBondContact CB-O 3.02Å; H624-S648 PolarHBondContact N-O 3.33Å; G646-S648 PolarHBondContact O-N 3.35Å; S648-E650 VanDerWaalsContact C-N 3.27Å; S648-E650 PolarHBondContact N-OE2 3.04Å; S648-E650 PolarHBondContact O-N 3.02Å; S648-E650 PolarHBondContact OG-OE2 3.37Å |
| 649 | C | 85.6 | Confident | 70.3 | Confident | 0 Ų | 0 | 95.9 Ų | 95.9 | 0% | 0 | 51% | 0.506 | C | S | . | . | S | Bend | trans | 59 | 36.7 | -176 | -50.4 | 0 | 0 | 0 | 0 | 113.5 | H625 C638 C640 W644 G646 | H625-C649 PolarHBondContact ND1-O 2.8Å; C638-C649 WeakPolarHBondContact CB-SG 3.32Å; C640-C649 WeakPolarHBondContact CA-SG 3.39Å; C640-C649 HydrophobicContact CB-CB 3.73Å; C640-C649 WeakPolarHBondContact CB-SG 3.23Å; C640-C649 WeakPolarHBondContact SG-CA 3.49Å; C640-C649 WeakPolarHBondContact SG-CB 3.37Å; C640-C649 CovalentContact SG-SG 2.04Å; C640-C649 PolarHBondContact SG-SG 2.04Å; W644-C649 HydrophobicContact CB-CB 4.47Å; W644-C649 VanDerWaalsContact CE3-O 3.29Å; G646-C649 PolarHBondContact O-N 3.36Å |
| 650 | E | 84.3 | Confident | 68 | Low | 76 Ų | 76 | 96.5 Ų | 96.5 | 36% | 0.355 | 52% | 0.518 | S | S | . | . | trans | -93.2 | -18 | -174.1 | 77.9 | -75.1 | -164.2 | 0 | 0 | 113.8 | V645 G646 P647 S648 | V645-E650 PolarHBondContact O-N 2.03Å; G646-E650 VanDerWaalsContact CA-OE2 3.27Å; G646-E650 WeakPolarHBondContact CA-OE2 3.25Å; P647-E650 VanDerWaalsContact CD-OE1 3.3Å; P647-E650 WeakPolarHBondContact CD-OE1 3.21Å; S648-E650 VanDerWaalsContact C-N 3.27Å; S648-E650 PolarHBondContact N-OE2 3.04Å; S648-E650 PolarHBondContact O-N 3.02Å; S648-E650 PolarHBondContact OG-OE2 3.37Å | ||
| 651 | I | 79.3 | Confident | 66 | Low | 86 Ų | 86 | 103.5 Ų | 103.5 | 44% | 0.441 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 117.6 | -173.9 | -47.2 | 177.5 | 0 | 0 | 0 | 110.6 | W644 V645 | W644-I651 CarbonylContact C-O 3.57Å; W644-I651 WeakPolarHBondContact CA-O 3.31Å; V645-I651 HydrophobicContact CG2-CB 3.98Å; V645-I651 HydrophobicContact CG2-CG2 4.22Å; V645-I651 PolarHBondContact N-O 2.04Å; V645-I651 WeakPolarHBondContact O-CA 3.31Å; V645-I651 WeakPolarHBondContact O-CB 3.26Å; V645-I651 PolarHBondContact O-N 3.35Å |
| 652 | H | 74.6 | Confident | 63.8 | Low | 96 Ų | 96 | 108.9 Ų | 108.9 | 44% | 0.444 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.6 | 172.9 | -176.8 | -73.5 | 0 | 0 | 0 | 111.3 | W644 Q654 | W644-H652 HydrophobicContact CD2-CB 4.37Å; W644-H652 AromaticContact CE2-CD2 3.96Å; W644-H652 HydrophobicContact CE3-CB 4Å; W644-H652 HydrophobicContact CH2-CB 4.12Å; W644-H652 HydrophobicContact CZ2-CB 4.46Å; W644-H652 HydrophobicContact CZ3-CB 3.86Å; H652-Q654 PolarHBondContact O-N 2.04Å |
| 653 | L | 70.4 | Confident | 62.3 | Low | 75 Ų | 75 | 106.4 Ų | 106.4 | 39% | 0.393 | 57% | 0.565 | S | S | . | * | trans | -70.9 | 115.3 | -174.9 | -77.1 | 175.1 | 0 | 0 | 0 | 113.3 | G643 V645 | G643-L653 PolarHBondContact O-N 3.37Å; V645-L653 HydrophobicContact CG1-CD1 3.69Å; V645-L653 HydrophobicContact CG1-CG 4.07Å; V645-L653 HydrophobicContact CG2-CD1 4.31Å; V645-L653 HydrophobicContact CG2-CD2 3.83Å; V645-L653 HydrophobicContact CG2-CG 3.81Å | ||
| 654 | Q | 59.6 | Low | 60.8 | Low | 172 Ų | 172 | 113.3 Ų | 113.3 | 80% | 0.804 | 59% | 0.592 | S | S | * | * | trans | -124.2 | 109.5 | 164.5 | -62.6 | -169.9 | 10.2 | 0 | 0 | 109.5 | H652 | H652-Q654 PolarHBondContact O-N 2.04Š| ||
| 655 | W | 52.7 | Low | 59.3 | Low | 220 Ų | 220 | 115.7 Ų | 115.7 | 83% | 0.833 | 62% | 0.615 | S | S | * | * | trans | -87.6 | 129.6 | -171.3 | -76.3 | 83.4 | 0 | 0 | 0 | 113.2 | ||||
| 656 | K | 34 | Very low | 57.3 | Low | 202 Ų | 202 | 121 Ų | 121 | 88% | 0.878 | 64% | 0.641 | S | S | * | * | trans | -150 | 111.2 | 168 | -150.1 | 175.4 | -172.5 | -179.9 | 0 | 109.6 | ||||
| 657 | P | 48.2 | Very low | 55.3 | Low | 123 Ų | 123 | 128 Ų | 128 | 80% | 0.799 | 67% | 0.669 | S | S | * | * | trans | -97.9 | 127 | -164.7 | 34.6 | -33.7 | 0 | 0 | 0 | 114.9 | ||||
| 658 | A | 30.3 | Very low | 54 | Low | 92 Ų | 92 | 128.1 Ų | 128.1 | 76% | 0.76 | 67% | 0.67 | S | S | * | * | trans | 179.4 | 147.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 659 | H | 38.3 | Very low | 52.9 | Low | 184 Ų | 184 | 137.9 Ų | 137.9 | 85% | 0.852 | 70% | 0.704 | S | S | * | * | cis | -153.6 | 158.8 | -14.2 | -131 | -84.8 | 0 | 0 | 0 | 107.5 | ||||
| 660 | T | 39 | Very low | 51.6 | Low | 124 Ų | 124 | 144.9 Ų | 144.9 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | trans | -108.7 | 136.6 | 176.3 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 661 | E | 42.5 | Very low | 50.5 | Low | 190 Ų | 190 | 144.7 Ų | 144.7 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | -163.8 | 135.8 | 136.6 | -76.7 | -141.5 | 134.8 | 0 | 0 | 109.3 | ||||
| 662 | D | 37.7 | Very low | 49.8 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 88% | 0.877 | 75% | 0.749 | S | S | * | * | -178 | 132 | 121.9 | -118.8 | -28.9 | 0 | 0 | 0 | 110.4 | |||||
| 663 | T | 46.2 | Very low | 49.3 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | -112.5 | 118.5 | -178.1 | 55.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 664 | L | 43.3 | Very low | 49.1 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 95% | 0.948 | 77% | 0.772 | S | S | * | * | trans | -104 | 99.3 | -175.8 | -161 | 76.1 | 0 | 0 | 0 | 113 | ||||
| 665 | T | 50 | Low | 49.5 | Very low | 123 Ų | 123 | 148.4 Ų | 148.4 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -101.6 | 104.9 | 173.3 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 666 | N | 38.7 | Very low | 50.6 | Low | 167 Ų | 167 | 142.1 Ų | 142.1 | 89% | 0.893 | 74% | 0.741 | S | S | * | * | trans | -167.7 | 142.2 | 150.6 | -115 | -74.2 | 0 | 0 | 0 | 112 | ||||
| 667 | M | 39.8 | Very low | 52.6 | Low | 172 Ų | 172 | 134.1 Ų | 134.1 | 85% | 0.847 | 72% | 0.716 | S | S | * | * | trans | -140 | 122 | 178.6 | -161.4 | -175.7 | -150.4 | 0 | 0 | 110 | ||||
| 668 | P | 54.3 | Low | 53.8 | Low | 95 Ų | 95 | 131.1 Ų | 131.1 | 62% | 0.617 | 70% | 0.702 | S | S | * | * | trans | -86 | 146.1 | -168.9 | 32.5 | -35.2 | 0 | 0 | 0 | 113.9 | H670 | P668-H670 PolarHBondContact O-N 2.91Š| ||
| 669 | R | 61.2 | Low | 56.2 | Low | 224 Ų | 224 | 132.4 Ų | 132.4 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 8.2 | -173.9 | -62.5 | -179.6 | 178.9 | 170.5 | -0.7 | 116.4 | ||
| 670 | H | 60.3 | Low | 58.3 | Low | 147 Ų | 147 | 127.4 Ų | 127.4 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.9 | -29.7 | -173.4 | -77.8 | 122.5 | 0 | 0 | 0 | 114.6 | P668 L672 Y673 | P668-H670 PolarHBondContact O-N 2.91Å; H670-L672 VanDerWaalsContact C-N 3.29Å; H670-L672 PolarHBondContact O-N 3.39Å; H670-Y673 PolarHBondContact O-N 3.4Å |
| 671 | S | 60.6 | Low | 60.3 | Low | 72 Ų | 72 | 125.8 Ų | 125.8 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -61.1 | -35.3 | -179.3 | 49.7 | 0 | 0 | 0 | 0 | 113.3 | Y673 I674 I675 | S671-Y673 PolarHBondContact O-N 2.82Å; S671-I674 PolarHBondContact O-N 3.34Å; S671-I675 WeakPolarHBondContact O-CG1 3.39Å; S671-I675 PolarHBondContact O-N 2.79Å |
| 672 | L | 63.2 | Low | 62 | Low | 105 Ų | 105 | 119.4 Ų | 119.4 | 55% | 0.55 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -61.6 | -41.4 | -177 | -171.4 | 67.1 | 0 | 0 | 0 | 112.7 | H670 I676 | H670-L672 VanDerWaalsContact C-N 3.29Å; H670-L672 PolarHBondContact O-N 3.39Å; L672-I676 HydrophobicContact CG-CD1 4.19Å; L672-I676 WeakPolarHBondContact O-CG1 3.42Å; L672-I676 PolarHBondContact O-N 2.66Å |
| 673 | Y | 64.8 | Low | 64.3 | Low | 169 Ų | 169 | 118.4 Ų | 118.4 | 66% | 0.663 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.7 | -34.2 | -179 | -69.9 | -77.1 | 0 | 0 | 0 | 112.8 | H670 S671 I676 G677 | H670-Y673 PolarHBondContact O-N 3.4Å; S671-Y673 PolarHBondContact O-N 2.82Å; Y673-I676 PolarHBondContact O-N 2.83Å; Y673-G677 PolarHBondContact O-N 3.22Å |
| 674 | I | 67.3 | Low | 66 | Low | 129 Ų | 129 | 116.1 Ų | 116.1 | 66% | 0.662 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68 | -41.1 | 177.6 | -63.6 | 179.5 | 0 | 0 | 0 | 110.6 | S671 G677 A678 | S671-I674 PolarHBondContact O-N 3.34Å; I674-G677 PolarHBondContact O-N 2.92Å; I674-A678 PolarHBondContact O-N 2.98Å |
| 675 | I | 68 | Low | 67.8 | Low | 103 Ų | 103 | 112.1 Ų | 112.1 | 53% | 0.528 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.6 | -44.6 | 176.8 | -65.1 | 164.8 | 0 | 0 | 0 | 110.9 | S671 A678 L679 | S671-I675 WeakPolarHBondContact O-CG1 3.39Å; S671-I675 PolarHBondContact O-N 2.79Å; I675-A678 PolarHBondContact O-N 2.86Å; I675-L679 HydrophobicContact CG2-CD1 4.35Å; I675-L679 WeakPolarHBondContact O-CG 3.27Å; I675-L679 PolarHBondContact O-N 2.88Å |
| 676 | I | 74.8 | Confident | 69.3 | Low | 88 Ų | 88 | 112.8 Ų | 112.8 | 45% | 0.451 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.8 | -43.2 | 177.4 | -66.4 | 166.4 | 0 | 0 | 0 | 110.9 | L672 Y673 A678 L679 C680 | L672-I676 HydrophobicContact CG-CD1 4.19Å; L672-I676 WeakPolarHBondContact O-CG1 3.42Å; L672-I676 PolarHBondContact O-N 2.66Å; Y673-I676 PolarHBondContact O-N 2.83Å; I676-A678 PolarHBondContact O-N 2.75Å; I676-L679 PolarHBondContact O-N 2.96Å; I676-C680 PolarHBondContact O-N 3.08Å; I676-C680 PolarHBondContact O-SG 2.64Å |
| 677 | G | 75.2 | Confident | 71.4 | Confident | 35 Ų | 35 | 108.7 Ų | 108.7 | 36% | 0.361 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60 | -44.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y673 I674 L679 C680 V681 | Y673-G677 PolarHBondContact O-N 3.22Å; I674-G677 PolarHBondContact O-N 2.92Å; G677-L679 PolarHBondContact O-N 2.93Å; G677-C680 PolarHBondContact O-N 2.97Å; G677-V681 PolarHBondContact O-N 2.79Å |
| 678 | A | 74.8 | Confident | 73.3 | Confident | 60 Ų | 60 | 104.8 Ų | 104.8 | 50% | 0.496 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62 | -41.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I674 I675 I676 V681 A682 | I674-A678 PolarHBondContact O-N 2.98Å; I675-A678 PolarHBondContact O-N 2.86Å; I676-A678 PolarHBondContact O-N 2.75Å; A678-V681 PolarHBondContact O-N 3.22Å; A678-A682 PolarHBondContact O-N 3.2Å; A678-A682 VanDerWaalsContact O-N 3.07Å |
| 679 | L | 79.9 | Confident | 74.5 | Confident | 119 Ų | 119 | 105.9 Ų | 105.9 | 62% | 0.623 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.9 | -39.3 | 178.5 | -69.2 | 170.4 | 0 | 0 | 0 | 112.3 | I675 I676 G677 A682 F683 | I675-L679 HydrophobicContact CG2-CD1 4.35Å; I675-L679 WeakPolarHBondContact O-CG 3.27Å; I675-L679 PolarHBondContact O-N 2.88Å; I676-L679 PolarHBondContact O-N 2.96Å; G677-L679 PolarHBondContact O-N 2.93Å; L679-A682 PolarHBondContact O-N 2.87Å; L679-F683 PolarHBondContact O-N 3.01Å; L679-F683 VanDerWaalsContact O-N 3.12Å |
| 680 | C | 82.3 | Confident | 75.3 | Confident | 79 Ų | 79 | 100.3 Ų | 100.3 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.7 | -69.1 | 0 | 0 | 0 | 0 | 112.5 | I676 G677 F683 V684 | I676-C680 PolarHBondContact O-N 3.08Å; I676-C680 PolarHBondContact O-SG 2.64Å; G677-C680 PolarHBondContact O-N 2.97Å; C680-F683 PolarHBondContact O-N 3.35Å; C680-V684 WeakPolarHBondContact O-CG2 3.4Å; C680-V684 PolarHBondContact O-N 3.11Å |
| 681 | V | 82.3 | Confident | 76.1 | Confident | 90 Ų | 90 | 97.8 Ų | 97.8 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | G677 A678 F683 V684 L685 | G677-V681 PolarHBondContact O-N 2.79Å; A678-V681 PolarHBondContact O-N 3.22Å; V681-F683 VanDerWaalsContact C-N 3.32Å; V681-F683 PolarHBondContact O-N 3.01Å; V681-V684 PolarHBondContact O-N 3.39Å; V681-L685 HydrophobicContact CG1-CD1 4.08Å; V681-L685 WeakPolarHBondContact O-CG 3.42Å; V681-L685 PolarHBondContact O-N 2.92Å; V681-L685 VanDerWaalsContact O-N 3.09Å |
| 682 | A | 77.2 | Confident | 76.9 | Confident | 55 Ų | 55 | 98.5 Ų | 98.5 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.4 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A678 L679 L685 M686 | A678-A682 PolarHBondContact O-N 3.2Å; A678-A682 VanDerWaalsContact O-N 3.07Å; L679-A682 PolarHBondContact O-N 2.87Å; A682-L685 PolarHBondContact O-N 3.46Å; A682-M686 PolarHBondContact O-N 2.86Å; A682-M686 VanDerWaalsContact O-N 3.08Å |
| 683 | F | 85.3 | Confident | 77.4 | Confident | 144 Ų | 144 | 95 Ų | 95 | 63% | 0.632 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 178 | -171.3 | -100 | 0 | 0 | 0 | 112.7 | L679 C680 V681 M686 L687 | L679-F683 PolarHBondContact O-N 3.01Å; L679-F683 VanDerWaalsContact O-N 3.12Å; C680-F683 PolarHBondContact O-N 3.35Å; V681-F683 VanDerWaalsContact C-N 3.32Å; V681-F683 PolarHBondContact O-N 3.01Å; F683-M686 PolarHBondContact O-N 3.39Å; F683-L687 HydrophobicContact CD1-CD1 4.14Å; F683-L687 HydrophobicContact CE1-CD1 3.66Å; F683-L687 HydrophobicContact CZ-CD1 4.28Å; F683-L687 PolarHBondContact O-N 2.89Å; F683-L687 VanDerWaalsContact O-N 3.13Å |
| 684 | V | 83.9 | Confident | 77.8 | Confident | 82 Ų | 82 | 91.9 Ų | 91.9 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | C680 V681 L687 I688 | C680-V684 WeakPolarHBondContact O-CG2 3.4Å; C680-V684 PolarHBondContact O-N 3.11Å; V681-V684 PolarHBondContact O-N 3.39Å; V684-L687 WeakPolarHBondContact O-CB 3.31Å; V684-L687 PolarHBondContact O-N 2.83Å; V684-I688 HydrophobicContact CG1-CD1 3.97Å; V684-I688 WeakPolarHBondContact O-CG1 3.09Å; V684-I688 PolarHBondContact O-N 3.28Å |
| 685 | L | 80.2 | Confident | 77.7 | Confident | 97 Ų | 97 | 89.6 Ų | 89.6 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 177.6 | -70.3 | 171.9 | 0 | 0 | 0 | 112.4 | V681 A682 L687 I688 I689 | V681-L685 HydrophobicContact CG1-CD1 4.08Å; V681-L685 WeakPolarHBondContact O-CG 3.42Å; V681-L685 PolarHBondContact O-N 2.92Å; V681-L685 VanDerWaalsContact O-N 3.09Å; A682-L685 PolarHBondContact O-N 3.46Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L685-L687 PolarHBondContact O-N 3.1Å; L685-I688 PolarHBondContact O-N 3.48Å; L685-I689 WeakPolarHBondContact O-CG1 3.41Å; L685-I689 PolarHBondContact O-N 3.05Å |
| 686 | M | 80.9 | Confident | 77.6 | Confident | 136 Ų | 136 | 93.7 Ų | 93.7 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -58.9 | -42.9 | 172.7 | -83.9 | -69 | -165.9 | 0 | 0 | 112.4 | A682 F683 I689 L690 | A682-M686 PolarHBondContact O-N 2.86Å; A682-M686 VanDerWaalsContact O-N 3.08Å; F683-M686 PolarHBondContact O-N 3.39Å; M686-I689 PolarHBondContact O-N 3.25Å; M686-L690 WeakPolarHBondContact O-CB 3.14Å; M686-L690 PolarHBondContact O-N 2.88Å |
| 687 | L | 82.3 | Confident | 77 | Confident | 81 Ų | 81 | 94.9 Ų | 94.9 | 42% | 0.424 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -42 | 176.4 | -104.1 | 163.3 | 0 | 0 | 0 | 112.5 | F683 V684 L685 L690 I691 | F683-L687 HydrophobicContact CD1-CD1 4.14Å; F683-L687 HydrophobicContact CE1-CD1 3.66Å; F683-L687 HydrophobicContact CZ-CD1 4.28Å; F683-L687 PolarHBondContact O-N 2.89Å; F683-L687 VanDerWaalsContact O-N 3.13Å; V684-L687 WeakPolarHBondContact O-CB 3.31Å; V684-L687 PolarHBondContact O-N 2.83Å; L685-L687 VanDerWaalsContact C-N 3.34Å; L685-L687 PolarHBondContact O-N 3.1Å; L687-L690 PolarHBondContact O-N 2.95Å; L687-I691 HydrophobicContact CD2-CD1 4.49Å; L687-I691 WeakPolarHBondContact O-CD1 3.37Å; L687-I691 VanDerWaalsContact O-CG1 3.27Å; L687-I691 WeakPolarHBondContact O-CG1 3.44Å; L687-I691 PolarHBondContact O-N 2.83Å |
| 688 | I | 80.3 | Confident | 76.2 | Confident | 91 Ų | 91 | 96.5 Ų | 96.5 | 47% | 0.467 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 177.4 | -67.6 | 165.4 | 0 | 0 | 0 | 110.9 | V684 L685 L690 I691 V692 | V684-I688 HydrophobicContact CG1-CD1 3.97Å; V684-I688 WeakPolarHBondContact O-CG1 3.09Å; V684-I688 PolarHBondContact O-N 3.28Å; L685-I688 PolarHBondContact O-N 3.48Å; I688-L690 VanDerWaalsContact C-N 3.34Å; I688-L690 PolarHBondContact O-N 2.85Å; I688-I691 PolarHBondContact O-N 3.12Å; I688-V692 WeakPolarHBondContact O-CG2 3.46Å; I688-V692 PolarHBondContact O-N 2.88Å |
| 689 | I | 79.2 | Confident | 75.3 | Confident | 118 Ų | 118 | 103.8 Ų | 103.8 | 61% | 0.605 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.3 | -43 | 177.5 | -67.9 | 165.8 | 0 | 0 | 0 | 110.8 | L685 M686 V692 G693 | L685-I689 WeakPolarHBondContact O-CG1 3.41Å; L685-I689 PolarHBondContact O-N 3.05Å; M686-I689 PolarHBondContact O-N 3.25Å; I689-V692 PolarHBondContact O-N 3.11Å; I689-G693 PolarHBondContact O-N 3.02Å |
| 690 | L | 78 | Confident | 74.1 | Confident | 106 Ų | 106 | 104.2 Ų | 104.2 | 56% | 0.555 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64 | -42.2 | 178.7 | -174.5 | 146.1 | 0 | 0 | 0 | 112.1 | M686 L687 I688 G693 I694 | M686-L690 WeakPolarHBondContact O-CB 3.14Å; M686-L690 PolarHBondContact O-N 2.88Å; L687-L690 PolarHBondContact O-N 2.95Å; I688-L690 VanDerWaalsContact C-N 3.34Å; I688-L690 PolarHBondContact O-N 2.85Å; L690-G693 PolarHBondContact O-N 3.16Å; L690-I694 HydrophobicContact CD2-CD1 3.68Å; L690-I694 HydrophobicContact CG-CD1 4.45Å; L690-I694 WeakPolarHBondContact O-CG1 3.36Å; L690-I694 PolarHBondContact O-N 2.75Å; L690-I694 VanDerWaalsContact O-N 3.08Å |
| 691 | I | 78.2 | Confident | 72.6 | Confident | 95 Ų | 95 | 108 Ų | 108 | 49% | 0.487 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.7 | -44.8 | 175.9 | -68.7 | 163.9 | 0 | 0 | 0 | 111.1 | L687 I688 G693 I694 C695 | L687-I691 HydrophobicContact CD2-CD1 4.49Å; L687-I691 WeakPolarHBondContact O-CD1 3.37Å; L687-I691 VanDerWaalsContact O-CG1 3.27Å; L687-I691 WeakPolarHBondContact O-CG1 3.44Å; L687-I691 PolarHBondContact O-N 2.83Å; I688-I691 PolarHBondContact O-N 3.12Å; I691-G693 VanDerWaalsContact C-N 3.32Å; I691-G693 PolarHBondContact O-N 2.97Å; I691-I694 PolarHBondContact O-N 2.74Å; I691-C695 PolarHBondContact O-N 2.92Å; I691-C695 VanDerWaalsContact O-N 3.07Å; I691-C695 PolarHBondContact O-SG 3.35Å; I691-C695 VanDerWaalsContact O-SG 3.41Å |
| 692 | V | 77.7 | Confident | 70.9 | Confident | 87 Ų | 87 | 113.9 Ų | 113.9 | 53% | 0.527 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.6 | -37 | 177.2 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | I688 I689 C695 R696 | I688-V692 WeakPolarHBondContact O-CG2 3.46Å; I688-V692 PolarHBondContact O-N 2.88Å; I689-V692 PolarHBondContact O-N 3.11Å; V692-C695 PolarHBondContact O-N 2.7Å; V692-R696 PolarHBondContact O-N 2.78Å |
| 693 | G | 73.9 | Confident | 69.3 | Low | 31 Ų | 31 | 120.3 Ų | 120.3 | 32% | 0.32 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.7 | -49 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I689 L690 I691 C695 R696 I697 | I689-G693 PolarHBondContact O-N 3.02Å; L690-G693 PolarHBondContact O-N 3.16Å; I691-G693 VanDerWaalsContact C-N 3.32Å; I691-G693 PolarHBondContact O-N 2.97Å; G693-C695 VanDerWaalsContact C-N 3.33Å; G693-C695 PolarHBondContact O-N 2.84Å; G693-R696 WeakPolarHBondContact O-CB 3.4Å; G693-R696 PolarHBondContact O-N 3.22Å; G693-R696 VanDerWaalsContact O-N 3.08Å; G693-I697 WeakPolarHBondContact O-CG1 3.29Å; G693-I697 PolarHBondContact O-N 2.87Å; G693-I697 VanDerWaalsContact O-N 3.08Å |
| 694 | I | 73.1 | Confident | 67.3 | Low | 104 Ų | 104 | 116.9 Ų | 116.9 | 53% | 0.533 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -60.9 | -42.1 | 177.3 | -68 | 169.6 | 0 | 0 | 0 | 111 | L690 I691 R696 I697 S698 | L690-I694 HydrophobicContact CD2-CD1 3.68Å; L690-I694 HydrophobicContact CG-CD1 4.45Å; L690-I694 WeakPolarHBondContact O-CG1 3.36Å; L690-I694 PolarHBondContact O-N 2.75Å; L690-I694 VanDerWaalsContact O-N 3.08Å; I691-I694 PolarHBondContact O-N 2.74Å; I694-R696 VanDerWaalsContact C-N 3.28Å; I694-R696 PolarHBondContact O-N 3.29Å; I694-I697 PolarHBondContact O-N 3.42Å; I694-S698 PolarHBondContact O-N 2.95Å; I694-S698 PolarHBondContact O-OG 2.75Å |
| 695 | C | 64.1 | Low | 65.5 | Low | 80 Ų | 80 | 118.3 Ų | 118.3 | 54% | 0.541 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -69.4 | -19.1 | 175.6 | -69.8 | 0 | 0 | 0 | 0 | 114.5 | I691 V692 G693 | I691-C695 PolarHBondContact O-N 2.92Å; I691-C695 VanDerWaalsContact O-N 3.07Å; I691-C695 PolarHBondContact O-SG 3.35Å; I691-C695 VanDerWaalsContact O-SG 3.41Å; V692-C695 PolarHBondContact O-N 2.7Å; G693-C695 VanDerWaalsContact C-N 3.33Å; G693-C695 PolarHBondContact O-N 2.84Å |
| 696 | R | 66.2 | Low | 63.7 | Low | 189 Ų | 189 | 119.1 Ų | 119.1 | 71% | 0.713 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -80.7 | -39.5 | 172.5 | -104.3 | -74.2 | -173.2 | 163.3 | 2.2 | 111.9 | V692 G693 I694 | V692-R696 PolarHBondContact O-N 2.78Å; G693-R696 WeakPolarHBondContact O-CB 3.4Å; G693-R696 PolarHBondContact O-N 3.22Å; G693-R696 VanDerWaalsContact O-N 3.08Å; I694-R696 VanDerWaalsContact C-N 3.28Å; I694-R696 PolarHBondContact O-N 3.29Å |
| 697 | I | 61.3 | Low | 61.5 | Low | 113 Ų | 113 | 124 Ų | 124 | 58% | 0.579 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.9 | -46.5 | -178.4 | -68.6 | 166.4 | 0 | 0 | 0 | 110.7 | G693 I694 R699 I700 | G693-I697 WeakPolarHBondContact O-CG1 3.29Å; G693-I697 PolarHBondContact O-N 2.87Å; G693-I697 VanDerWaalsContact O-N 3.08Å; I694-I697 PolarHBondContact O-N 3.42Å; I697-R699 PolarHBondContact O-N 2.94Å; I697-I700 PolarHBondContact O-N 3.26Å |
| 698 | S | 59.7 | Low | 59.3 | Low | 70 Ų | 70 | 129.5 Ų | 129.5 | 49% | 0.49 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66 | -8.8 | -177.9 | 57.9 | 0 | 0 | 0 | 0 | 115.4 | I694 | I694-S698 PolarHBondContact O-N 2.95Å; I694-S698 PolarHBondContact O-OG 2.75Å |
| 699 | R | 55.8 | Low | 57.1 | Low | 212 Ų | 212 | 128.7 Ų | 128.7 | 80% | 0.8 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -18.7 | 169.6 | -89 | -160.3 | 179.4 | -157.4 | 2.8 | 114.5 | I697 | I697-R699 PolarHBondContact O-N 2.94Š|
| 700 | I | 54.8 | Low | 54.8 | Low | 129 Ų | 129 | 133.4 Ų | 133.4 | 66% | 0.662 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -34 | -170.6 | -63.5 | 175.3 | 0 | 0 | 0 | 111.3 | I697 Y702 | I697-I700 PolarHBondContact O-N 3.26Å; I700-Y702 VanDerWaalsContact C-N 3.33Å; I700-Y702 PolarHBondContact O-N 3.11Å |
| 701 | E | 49.3 | Very low | 52.5 | Low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -75.4 | -19.2 | -178.8 | -63.9 | -178.8 | 129.4 | 0 | 0 | 113.4 | Q703 G704 | E701-Q703 PolarHBondContact O-N 3.05Å; E701-G704 PolarHBondContact O-N 3.39Å |
| 702 | Y | 47.4 | Very low | 50.6 | Low | 213 Ų | 213 | 139.2 Ų | 139.2 | 84% | 0.835 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -82.6 | 0.2 | -173.4 | -117 | -78.9 | 0 | 0 | 0 | 116.1 | I700 | I700-Y702 VanDerWaalsContact C-N 3.33Å; I700-Y702 PolarHBondContact O-N 3.11Å |
| 703 | Q | 42.8 | Very low | 48.3 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 89% | 0.888 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -115.1 | 3.3 | 169.2 | -66.4 | -161.6 | -68.5 | 0 | 0 | 113.6 | E701 | E701-Q703 PolarHBondContact O-N 3.05Š|
| 704 | G | 44.3 | Very low | 46.3 | Very low | 72 Ų | 72 | 151.6 Ų | 151.6 | 74% | 0.742 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -82 | -6.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | E701 | E701-G704 PolarHBondContact O-N 3.39Š|
| 705 | S | 46 | Very low | 44.2 | Very low | 111 Ų | 111 | 153.5 Ų | 153.5 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -148.8 | 74.8 | -169 | -178.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 706 | S | 42.8 | Very low | 42.4 | Very low | 114 Ų | 114 | 155.2 Ų | 155.2 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -162.5 | 138.7 | 141.8 | 45.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 707 | R | 34.9 | Very low | 40.7 | Very low | 240 Ų | 240 | 157.7 Ų | 157.7 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | trans | 67.7 | 100.3 | 172.4 | -69.2 | -173.9 | 167.3 | -179.1 | -6.4 | 118.5 | ||||
| 708 | H | 34.6 | Very low | 39.2 | Very low | 196 Ų | 196 | 156.6 Ų | 156.6 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | -112.1 | 169.8 | 126.7 | -134.3 | -98.7 | 0 | 0 | 0 | 108.6 | |||||
| 709 | A | 35.7 | Very low | 38 | Very low | 74 Ų | 74 | 160.5 Ų | 160.5 | 61% | 0.612 | 78% | 0.784 | S | S | * | * | trans | 75.6 | 148.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 710 | Y | 30.4 | Very low | 36.8 | Very low | 216 Ų | 216 | 157.8 Ų | 157.8 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | trans | 64.5 | 125.7 | -166.1 | -59.5 | -85.3 | 0 | 0 | 0 | 113.9 | ||||
| 711 | Q | 30.3 | Very low | 35.6 | Very low | 159 Ų | 159 | 156.5 Ų | 156.5 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | cis | -152.4 | 134 | 14.5 | -160.1 | 145.9 | -31.2 | 0 | 0 | 113.6 | ||||
| 712 | E | 36.9 | Very low | 35.1 | Very low | 165 Ų | 165 | 157 Ų | 157 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | trans | -100 | 160.1 | 152.5 | -69.7 | -166.1 | 142.6 | 0 | 0 | 109.2 | ||||
| 713 | F | 30.8 | Very low | 34.2 | Very low | 156 Ų | 156 | 156 Ų | 156 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | trans | 59.3 | 121.1 | -178.6 | -59.3 | -93.4 | 0 | 0 | 0 | 113.8 | ||||
| 714 | Y | 30 | Very low | 33.7 | Very low | 222 Ų | 222 | 151.9 Ų | 151.9 | 87% | 0.871 | 78% | 0.782 | S | S | * | * | cis | -146.1 | 169.3 | 44.9 | -119.9 | -91.6 | 0 | 0 | 0 | 113.7 | ||||
| 715 | N | 30.3 | Very low | 33.1 | Very low | 144 Ų | 144 | 156.9 Ų | 156.9 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -104.4 | 167.8 | 179.3 | -132.4 | -23.5 | 0 | 0 | 0 | 112.3 | ||||
| 716 | C | 27.1 | Very low | 32.5 | Very low | 115 Ų | 115 | 155.6 Ų | 155.6 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | 83 | 147.7 | 164.9 | -59.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 717 | R | 29 | Very low | 31.8 | Very low | 241 Ų | 241 | 158.4 Ų | 158.4 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | 66.3 | 135.3 | 177.3 | -86 | -180 | 156 | 85.4 | 0.5 | 117.1 | ||||
| 718 | S | 30.2 | Very low | 31.6 | Very low | 91 Ų | 91 | 151.1 Ų | 151.1 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | cis | -172.9 | 158.9 | -17.7 | 42.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 719 | I | 33.9 | Very low | 31.3 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | 28.1 | 121.8 | 137.7 | -61.4 | 168.2 | 0 | 0 | 0 | 115.8 | ||||
| 720 | D | 30.5 | Very low | 31.2 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | cis | -162.1 | -167.3 | 31.6 | -144.1 | -32.4 | 0 | 0 | 0 | 112.6 | ||||
| 721 | S | 31.1 | Very low | 31.1 | Very low | 102 Ų | 102 | 152.5 Ų | 152.5 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | 89.2 | 126.7 | 149.5 | -163.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 722 | E | 39 | Very low | 31.2 | Very low | 171 Ų | 171 | 153 Ų | 153 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -47.9 | 137 | 157.4 | -46.5 | 171.7 | 125.5 | 0 | 0 | 112.2 | ||||
| 723 | F | 28.3 | Very low | 30.9 | Very low | 190 Ų | 190 | 148.8 Ų | 148.8 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | -173 | 172.5 | 117.8 | -129.3 | -107.2 | 0 | 0 | 0 | 113.2 | |||||
| 724 | S | 31.4 | Very low | 30.9 | Very low | 104 Ų | 104 | 152.6 Ų | 152.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 73.9 | 56 | 158.5 | -56.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 725 | N | 31.7 | Very low | 31 | Very low | 177 Ų | 177 | 152.3 Ų | 152.3 | 95% | 0.947 | 80% | 0.801 | S | S | * | * | trans | -103.8 | 79.4 | 153.2 | -125.4 | -15.3 | 0 | 0 | 0 | 109.9 | ||||
| 726 | A | 33.3 | Very low | 31 | Very low | 84 Ų | 84 | 148.3 Ų | 148.3 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | trans | -158.6 | 112.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 727 | I | 28.5 | Very low | 31.2 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | trans | 163.9 | 154 | 141.9 | -87.3 | 158.2 | 0 | 0 | 0 | 109.3 | ||||
| 728 | A | 30.3 | Very low | 31.4 | Very low | 87 Ų | 87 | 150.1 Ų | 150.1 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | 69.6 | 68.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 729 | S | 28.5 | Very low | 31.4 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | 57.9 | 94.2 | 51.1 | -160 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 730 | I | 34.3 | Very low | 31.3 | Very low | 151 Ų | 151 | 155 Ų | 155 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | -78.1 | 140.7 | -179 | -64.3 | 162.2 | 0 | 0 | 0 | 110.7 | ||||
| 731 | R | 28.9 | Very low | 31.4 | Very low | 241 Ų | 241 | 153.8 Ų | 153.8 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -89.9 | 109.7 | 162.6 | -164.2 | 179.3 | -67 | -162.7 | 3 | 111.1 | ||||
| 732 | H | 30.9 | Very low | 31.3 | Very low | 169 Ų | 169 | 153 Ų | 153 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | -35.5 | 162.6 | 171.5 | -59 | -67.8 | 0 | 0 | 0 | 118.4 | ||||
| 733 | A | 30.4 | Very low | 30.8 | Very low | 77 Ų | 77 | 152.6 Ų | 152.6 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | cis | 175.6 | -174.1 | -18.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 734 | R | 30.7 | Very low | 31 | Very low | 236 Ų | 236 | 153.7 Ų | 153.7 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | 86.2 | 134.8 | 169.6 | -50.7 | 169.7 | -176.6 | -178.6 | 1.3 | 113 | ||||
| 735 | F | 33.8 | Very low | 30.9 | Very low | 215 Ų | 215 | 154.9 Ų | 154.9 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | cis | -109.4 | 165.3 | 12.8 | -66.8 | -102.5 | 0 | 0 | 0 | 113 | ||||
| 736 | G | 29.2 | Very low | 30.8 | Very low | 61 Ų | 61 | 151.5 Ų | 151.5 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | cis | 162.4 | 24.4 | -8.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 737 | K | 32.1 | Very low | 30.8 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | trans | -170.8 | 119.9 | 160.4 | -98.8 | 141.2 | -173.2 | -177 | 0 | 109.3 | ||||
| 738 | K | 32.7 | Very low | 31.1 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | 71.1 | 126.2 | 88.6 | -75.2 | -168 | 177 | -172 | 0 | 113.8 | |||||
| 739 | S | 30 | Very low | 31.1 | Very low | 101 Ų | 101 | 153.3 Ų | 153.3 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | cis | -167 | 138.7 | 1 | 46.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 740 | R | 32 | Very low | 31.2 | Very low | 245 Ų | 245 | 151.4 Ų | 151.4 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | 68.6 | 130 | 157.8 | -67.6 | -173.5 | 177.8 | -168.1 | -1.4 | 118.7 | ||||
| 741 | P | 32.6 | Very low | 31.1 | Very low | 129 Ų | 129 | 155 Ų | 155 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 161.3 | 168.1 | 37.1 | -34.3 | 0 | 0 | 0 | 111.8 | ||
| 742 | A | 29 | Very low | 31.2 | Very low | 86 Ų | 86 | 151.7 Ų | 151.7 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 126.5 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y744 | A742-Y744 HydrophobicContact CB-CD2 4.37Å; A742-Y744 HydrophobicContact CB-CE2 4.48Å |
| 743 | M | 28.9 | Very low | 31.3 | Very low | 161 Ų | 161 | 151.2 Ų | 151.2 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 127.9 | 168.6 | 169.8 | -178.5 | 171.1 | 0 | 0 | 107.7 | ||
| 744 | Y | 31.9 | Very low | 31.3 | Very low | 213 Ų | 213 | 158.5 Ų | 158.5 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -141.5 | 132.1 | 166.2 | -88.7 | -74.4 | 0 | 0 | 0 | 109.5 | A742 | A742-Y744 HydrophobicContact CB-CD2 4.37Å; A742-Y744 HydrophobicContact CB-CE2 4.48Å | ||
| 745 | D | 28.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | -66.8 | 132.9 | 172.8 | -59.5 | -77.2 | 0 | 0 | 0 | 110.4 | T747 | D745-T747 PolarHBondContact O-N 3.05Š| ||
| 746 | A | 30.5 | Very low | 31.6 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | -82.8 | 89.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 747 | T | 33.4 | Very low | 32.2 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | trans | -61.1 | 146.5 | 168.9 | 49.8 | 0 | 0 | 0 | 0 | 110.3 | D745 I749 | D745-T747 PolarHBondContact O-N 3.05Å; T747-I749 PolarHBondContact O-N 3.28Å | ||
| 748 | P | 33.6 | Very low | 32.2 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -60 | 124.5 | 173.9 | 26.7 | -33.9 | 0 | 0 | 0 | 109.6 | A750 | P748-A750 PolarHBondContact O-N 2.79Š| ||
| 749 | I | 31.5 | Very low | 32.2 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -75.9 | 107.7 | 177.5 | -64.2 | 168.3 | 0 | 0 | 0 | 107.7 | T747 | T747-I749 PolarHBondContact O-N 3.28Š| ||
| 750 | A | 29.6 | Very low | 32.6 | Very low | 82 Ų | 82 | 151.4 Ų | 151.4 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | -69.8 | 137.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | P748 E752 | P748-A750 PolarHBondContact O-N 2.79Å; A750-E752 PolarHBondContact O-N 2.95Å | ||
| 751 | Y | 32.6 | Very low | 32.5 | Very low | 227 Ų | 227 | 147.5 Ų | 147.5 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -82.3 | 106.8 | 166 | -86.3 | -99 | 0 | 0 | 0 | 108.2 | ||||
| 752 | E | 31.4 | Very low | 32.7 | Very low | 172 Ų | 172 | 147.5 Ų | 147.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -84.5 | 163.9 | 163.2 | -70.8 | -169.6 | 145.8 | 0 | 0 | 110.8 | A750 | A750-E752 PolarHBondContact O-N 2.95Š| ||
| 753 | D | 32.6 | Very low | 32.8 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -61.6 | 146.4 | -165.3 | -61.7 | -76 | 0 | 0 | 0 | 115.6 | ||||
| 754 | Y | 30.7 | Very low | 33 | Very low | 230 Ų | 230 | 149 Ų | 149 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | -118.2 | 115.5 | 157.4 | -99.5 | -94.3 | 0 | 0 | 0 | 110.4 | ||||
| 755 | S | 31.7 | Very low | 33.2 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -68.7 | 141.6 | 175.1 | -172.6 | 0 | 0 | 0 | 0 | 111.1 | D757 | S755-D757 PolarHBondContact O-N 3.27Å; S755-D757 VanDerWaalsContact O-N 3.15Å | ||
| 756 | P | 39.5 | Very low | 33.4 | Very low | 121 Ų | 121 | 149.6 Ų | 149.6 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -88.8 | 81.6 | -168.9 | 35.3 | -36.9 | 0 | 0 | 0 | 113.6 | ||||
| 757 | D | 41 | Very low | 33.9 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -142.6 | 78.4 | 168.8 | -96.7 | -48.3 | 0 | 0 | 0 | 111.9 | S755 | S755-D757 PolarHBondContact O-N 3.27Å; S755-D757 VanDerWaalsContact O-N 3.15Å | ||
| 758 | D | 31.7 | Very low | 34 | Very low | 169 Ų | 169 | 154.7 Ų | 154.7 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | trans | -164.8 | 162.4 | 132.2 | -127.4 | -34.1 | 0 | 0 | 0 | 113.2 | ||||
| 759 | K | 33.8 | Very low | 34.5 | Very low | 188 Ų | 188 | 155.6 Ų | 155.6 | 82% | 0.817 | 81% | 0.811 | S | S | * | * | trans | -93.8 | 152.8 | -174.8 | -81 | 174.1 | -179.1 | 168.4 | 0 | 113.7 | ||||
| 760 | P | 36.8 | Very low | 34.6 | Very low | 122 Ų | 122 | 160.2 Ų | 160.2 | 79% | 0.792 | 84% | 0.835 | S | S | * | * | trans | -73.2 | 133.9 | -168.6 | 28.6 | -35.9 | 0 | 0 | 0 | 113.6 | ||||
| 761 | L | 30.2 | Very low | 34.9 | Very low | 163 Ų | 163 | 164.1 Ų | 164.1 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | trans | -109.2 | 111 | 166.8 | -101.5 | 162.6 | 0 | 0 | 0 | 109.8 | T763 | L761-T763 PolarHBondContact O-N 3.37Š| ||
| 762 | V | 36.5 | Very low | 35 | Very low | 128 Ų | 128 | 160.8 Ų | 160.8 | 78% | 0.776 | 84% | 0.841 | S | S | * | * | trans | -72.6 | 122.2 | 177.3 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 763 | T | 31.9 | Very low | 35.2 | Very low | 123 Ų | 123 | 160.2 Ų | 160.2 | 76% | 0.755 | 84% | 0.843 | S | S | * | * | trans | -126.5 | 129.7 | 168.4 | 49.2 | 0 | 0 | 0 | 0 | 111 | L761 | L761-T763 PolarHBondContact O-N 3.37Š| ||
| 764 | L | 34.1 | Very low | 35.4 | Very low | 155 Ų | 155 | 160.2 Ų | 160.2 | 81% | 0.812 | 84% | 0.842 | S | S | * | * | trans | -74.9 | 127.7 | -177.3 | -75.5 | 66.8 | 0 | 0 | 0 | 110.2 | K766 | L764-K766 PolarHBondContact O-N 3.03Š| ||
| 765 | I | 34.5 | Very low | 35.6 | Very low | 169 Ų | 169 | 155.9 Ų | 155.9 | 87% | 0.867 | 84% | 0.838 | S | S | * | * | trans | -75.1 | 111.7 | 158.6 | -62.9 | -179.7 | 0 | 0 | 0 | 107.6 | ||||
| 766 | K | 32.8 | Very low | 35.9 | Very low | 188 Ų | 188 | 159.3 Ų | 159.3 | 82% | 0.817 | 85% | 0.846 | S | S | * | * | trans | -93.3 | 111.6 | 178.7 | -176.7 | 176.9 | -176.2 | 174.2 | 0 | 108.9 | L764 K768 | L764-K766 PolarHBondContact O-N 3.03Å; K766-K768 PolarHBondContact O-N 3.21Å | ||
| 767 | T | 42.9 | Very low | 35.7 | Very low | 132 Ų | 132 | 162.1 Ų | 162.1 | 81% | 0.81 | 85% | 0.85 | S | S | * | * | trans | -57.9 | 136.2 | 170.9 | 48.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 768 | K | 35.6 | Very low | 35.2 | Very low | 187 Ų | 187 | 162.8 Ų | 162.8 | 81% | 0.813 | 85% | 0.853 | S | S | * | * | trans | -148.1 | 134.6 | 162 | -171.3 | 176.9 | 178 | -172 | 0 | 109.6 | K766 | K766-K768 PolarHBondContact O-N 3.21Š| ||
| 769 | D | 42.3 | Very low | 35.5 | Very low | 146 Ų | 146 | 162.3 Ų | 162.3 | 78% | 0.781 | 85% | 0.848 | S | S | * | * | trans | -71.5 | 143.9 | -175.2 | -30.8 | -98 | 0 | 0 | 0 | 112.3 | ||||
| 770 | L | 35 | Very low | 35.7 | Very low | 246 Ų | 246 | 159.9 Ų | 159.9 | 100% | 1.288 | 85% | 0.851 | S | S | * | * | trans | -163.1 | 0 | 141.6 | -112.8 | 168.5 | 0 | 0 | 0 | 110.8 |
Retrieved 770 of 770 residues in 101.9 ms
(Link to these results)