| 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 | 65.9 | Low | 60.7 | Low | 248 Ų | 248 | 139.4 Ų | 139.4 | 100% | 1.222 | 84% | 0.842 | S | S | * | * | 0 | 88.9 | 0 | -73.8 | 168.6 | -176 | 0 | 0 | 106 | |||||
| 2 | E | 60.1 | Low | 60.9 | Low | 182 Ų | 182 | 142.7 Ų | 142.7 | 85% | 0.85 | 84% | 0.842 | S | S | * | * | trans | -106.8 | 146 | -176.1 | -67.4 | 160.4 | 92 | 0 | 0 | 109.1 | ||||
| 3 | N | 57 | Low | 60.4 | Low | 154 Ų | 154 | 146.2 Ų | 146.2 | 82% | 0.824 | 85% | 0.845 | S | S | * | * | trans | 141.8 | 149.1 | 154.6 | -85.2 | -50.6 | 0 | 0 | 0 | 110.3 | ||||
| 4 | S | 60.7 | Low | 61.2 | Low | 101 Ų | 101 | 144.4 Ų | 144.4 | 71% | 0.706 | 84% | 0.84 | S | S | * | * | cis | -178.2 | 148.6 | -23 | -100 | 0 | 0 | 0 | 0 | 106 | ||||
| 5 | T | 60 | Low | 61.3 | Low | 127 Ų | 127 | 145.5 Ų | 145.5 | 78% | 0.779 | 84% | 0.842 | S | S | * | * | trans | -49.1 | 142.4 | 172.7 | -61 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 6 | L | 68.7 | Low | 61.7 | Low | 152 Ų | 152 | 144.6 Ų | 144.6 | 80% | 0.796 | 84% | 0.84 | S | S | * | * | trans | -149.6 | 112.7 | 150.3 | -71.8 | -179.5 | 0 | 0 | 0 | 109.8 | ||||
| 7 | H | 62.1 | Low | 61.3 | Low | 168 Ų | 168 | 145.5 Ų | 145.5 | 78% | 0.778 | 83% | 0.834 | S | S | * | * | 93.2 | 124.4 | 93.2 | -85.5 | 79.5 | 0 | 0 | 0 | 115 | |||||
| 8 | G | 49.2 | Very low | 61.2 | Low | 82 Ų | 82 | 144.7 Ų | 144.7 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | -86.7 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 9 | G | 60 | Low | 61 | Low | 80 Ų | 80 | 145.2 Ų | 145.2 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -154.4 | 119.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 10 | S | 61.1 | Low | 60.5 | Low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | trans | -97.4 | 135.7 | 171.5 | 174.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 11 | C | 62.8 | Low | 60.5 | Low | 128 Ų | 128 | 141.3 Ų | 141.3 | 87% | 0.865 | 82% | 0.817 | S | S | * | * | trans | -111.6 | 127.5 | 175.7 | -67 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 12 | Q | 63.5 | Low | 60.2 | Low | 179 Ų | 179 | 135.1 Ų | 135.1 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 153.4 | -179.9 | -93.8 | 98.9 | 37.8 | 0 | 0 | 115.1 | ||
| 13 | Q | 53.5 | Low | 59.8 | Low | 188 Ų | 188 | 131.5 Ų | 131.5 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 147.1 | 155.6 | -62.6 | -171.7 | -64.5 | 0 | 0 | 110.9 | ||
| 14 | P | 72.4 | Confident | 60.1 | Low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 133.3 | 163.5 | 32.1 | -27.7 | 0 | 0 | 0 | 112.3 | ||
| 15 | N | 61.8 | Low | 59.9 | Low | 161 Ų | 161 | 136 Ų | 136 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 122.1 | 169.4 | -158.9 | -0.5 | 0 | 0 | 0 | 107 | ||
| 16 | T | 68 | Low | 60.3 | Low | 132 Ų | 132 | 134.3 Ų | 134.3 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -110.8 | 124.9 | 175.6 | 47.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 17 | Q | 55.1 | Low | 60.3 | Low | 159 Ų | 159 | 133.1 Ų | 133.1 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | trans | -77.8 | 151.9 | -176.1 | -87.1 | -138.5 | 71.1 | 0 | 0 | 113.9 | ||||
| 18 | L | 59.2 | Low | 60.7 | Low | 132 Ų | 132 | 133 Ų | 133 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | trans | 59.6 | 120.6 | 142.3 | -60.2 | 165.5 | 0 | 0 | 0 | 119.4 | ||||
| 19 | D | 57.5 | Low | 61.8 | Low | 153 Ų | 153 | 134.2 Ų | 134.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | -147.5 | 133.1 | 117.2 | -151.7 | -90.4 | 0 | 0 | 0 | 110.6 | |||||
| 20 | T | 52.1 | Low | 62.5 | Low | 123 Ų | 123 | 136 Ų | 136 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -112.4 | 111.7 | -179 | -60 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 21 | A | 60 | Low | 63 | Low | 86 Ų | 86 | 137.5 Ų | 137.5 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | -142.6 | 101.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 22 | S | 58.8 | Low | 63.4 | Low | 119 Ų | 119 | 137.7 Ų | 137.7 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | 80.9 | 124.6 | 83 | -159.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 23 | C | 51.7 | Low | 63.6 | Low | 105 Ų | 105 | 133.2 Ų | 133.2 | 71% | 0.709 | 80% | 0.795 | S | S | * | * | trans | -68.7 | 143.6 | -164.7 | -51 | 0 | 0 | 0 | 0 | 114 | ||||
| 24 | L | 63.7 | Low | 64.4 | Low | 181 Ų | 181 | 133.2 Ų | 133.2 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | trans | -141.7 | 109.3 | 139.3 | -75.5 | -177.8 | 0 | 0 | 0 | 109.6 | ||||
| 25 | L | 56.1 | Low | 63.9 | Low | 169 Ų | 169 | 132.9 Ų | 132.9 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 129.4 | 170 | -76.5 | 148.2 | 0 | 0 | 0 | 109.6 | ||
| 26 | A | 68.8 | Low | 63.7 | Low | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 126.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 27 | P | 69.6 | Low | 63.6 | Low | 127 Ų | 127 | 133.7 Ų | 133.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 135.5 | 177.3 | -17 | 30.5 | 0 | 0 | 0 | 112.3 | ||
| 28 | L | 69.4 | Low | 63.9 | Low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 139.9 | 170 | -69.5 | 166.6 | 0 | 0 | 0 | 110.3 | ||
| 29 | P | 73.9 | Confident | 63.3 | Low | 109 Ų | 109 | 136.5 Ų | 136.5 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -70 | 152.1 | 177.1 | 29.2 | -34.5 | 0 | 0 | 0 | 112 | V31 | P29-V31 PolarHBondContact O-N 3.23Š|
| 30 | P | 74.2 | Confident | 63.1 | Low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 131.7 | 179.1 | 28 | -33.4 | 0 | 0 | 0 | 111.3 | V32 | P30-V32 PolarHBondContact O-N 3.36Š|
| 31 | V | 71.5 | Confident | 63 | Low | 143 Ų | 143 | 140 Ų | 140 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -65.4 | 110.6 | 165.9 | 146.9 | 0 | 0 | 0 | 0 | 108 | P29 | P29-V31 PolarHBondContact O-N 3.23Š| ||
| 32 | V | 70.3 | Confident | 62.6 | Low | 132 Ų | 132 | 140.5 Ų | 140.5 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 122.6 | 167.2 | 177.2 | 0 | 0 | 0 | 0 | 107.3 | P30 E34 | P30-V32 PolarHBondContact O-N 3.36Å; V32-E34 PolarHBondContact O-N 2.79Å |
| 33 | A | 67.4 | Low | 62.1 | Low | 85 Ų | 85 | 140 Ų | 140 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 123.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 34 | E | 70.9 | Confident | 61.6 | Low | 189 Ų | 189 | 141.9 Ų | 141.9 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 124.4 | 172.8 | -170.1 | 173.7 | 96.1 | 0 | 0 | 109.3 | V32 | V32-E34 PolarHBondContact O-N 2.79Š|
| 35 | P | 63.1 | Low | 61 | Low | 113 Ų | 113 | 140.3 Ų | 140.3 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 135.5 | 179.1 | 27.5 | -30.3 | 0 | 0 | 0 | 111.4 | ||
| 36 | Q | 56.5 | Low | 61.1 | Low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 136.9 | 173.7 | -68.7 | -149.7 | -90.5 | 0 | 0 | 111.4 | E38 | Q36-E38 PolarHBondContact O-N 3.23Š|
| 37 | P | 65.7 | Low | 61.1 | Low | 126 Ų | 126 | 138 Ų | 138 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 121.2 | 164.1 | 27.2 | -28.2 | 0 | 0 | 0 | 110.7 | ||
| 38 | E | 61.7 | Low | 60.3 | Low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 153.4 | 170.8 | -97.1 | 170.2 | 64.6 | 0 | 0 | 114 | Q36 | Q36-E38 PolarHBondContact O-N 3.23Š|
| 39 | Q | 46.4 | Very low | 59.6 | Low | 165 Ų | 165 | 135.2 Ų | 135.2 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54 | 129.6 | 175.6 | -67.8 | 166.2 | -66.6 | 0 | 0 | 112 | H41 | Q39-H41 WeakPolarHBondContact CB-NE2 3.24Š|
| 40 | Q | 54.4 | Low | 58.6 | Low | 191 Ų | 191 | 134.5 Ų | 134.5 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -121.2 | 117.9 | 160 | -74 | -171.7 | -24.4 | 0 | 0 | 110.2 | ||||
| 41 | H | 49.8 | Very low | 57.5 | Low | 159 Ų | 159 | 136.5 Ų | 136.5 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -86.8 | 114 | -177.5 | -50.7 | -171.9 | 0 | 0 | 0 | 104.2 | Q39 | Q39-H41 WeakPolarHBondContact CB-NE2 3.24Š| ||
| 42 | A | 51.9 | Low | 57 | Low | 95 Ų | 95 | 134 Ų | 134 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -123.4 | 121.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 43 | C | 47.8 | Very low | 55.9 | Low | 109 Ų | 109 | 134 Ų | 134 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -37.8 | 133.7 | -178 | 41.8 | 0 | 0 | 0 | 0 | 115.7 | D45 | C43-D45 PolarHBondContact O-N 3.27Š| ||
| 44 | T | 41 | Very low | 55 | Low | 145 Ų | 145 | 133.8 Ų | 133.8 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -70.3 | 104.7 | 155.1 | 43.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 45 | D | 51.6 | Low | 54.2 | Low | 148 Ų | 148 | 128.5 Ų | 128.5 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -112.2 | 120.3 | 161.9 | -111.4 | -52.7 | 0 | 0 | 0 | 109 | C43 | C43-D45 PolarHBondContact O-N 3.27Š| ||
| 46 | A | 56.8 | Low | 53.8 | Low | 88 Ų | 88 | 128.1 Ų | 128.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 140.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 47 | P | 70 | Confident | 54 | Low | 122 Ų | 122 | 127.1 Ų | 127.1 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 133.5 | 167.2 | 31.9 | -30.1 | 0 | 0 | 0 | 110.7 | ||
| 48 | P | 51.7 | Low | 53.7 | Low | 108 Ų | 108 | 126.4 Ų | 126.4 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 148.8 | 144.3 | 33.2 | -24.3 | 0 | 0 | 0 | 106.5 | ||
| 49 | T | 55.3 | Low | 53.3 | Low | 127 Ų | 127 | 123 Ų | 123 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | 178.9 | 139.5 | 70.5 | -32.5 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 50 | S | 51.8 | Low | 54.2 | Low | 93 Ų | 93 | 120.4 Ų | 120.4 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | 14.9 | 128.8 | 140.1 | -171 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 51 | L | 51.8 | Low | 54.9 | Low | 159 Ų | 159 | 116.7 Ų | 116.7 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | 174.8 | 124.6 | 105.7 | -103.5 | 112.7 | 0 | 0 | 0 | 112.3 | |||||
| 52 | A | 61.3 | Low | 55.7 | Low | 90 Ų | 90 | 114.5 Ų | 114.5 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | trans | 64.5 | 133.1 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 53 | P | 47.6 | Very low | 56.5 | Low | 131 Ų | 131 | 115.8 Ų | 115.8 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -92.2 | 155.5 | 167.8 | 37.3 | -29.7 | 0 | 0 | 0 | 111.4 | ||||
| 54 | G | 47.3 | Very low | 57.4 | Low | 82 Ų | 82 | 115.1 Ų | 115.1 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | 104.4 | 84.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 55 | A | 54.5 | Low | 58.4 | Low | 77 Ų | 77 | 113 Ų | 113 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | -150.9 | 99.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | M57 | A55-M57 VanDerWaalsContact C-N 3.29Å; A55-M57 HydrophobicContact CB-CE 4.04Å; A55-M57 PolarHBondContact O-N 3.2Å | ||
| 56 | A | 54.3 | Low | 59.4 | Low | 106 Ų | 106 | 110 Ų | 110 | 88% | 0.876 | 76% | 0.757 | S | S | * | * | trans | -67.2 | 91.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | S58 | A56-S58 PolarHBondContact O-N 3.35Š| ||
| 57 | M | 61.7 | Low | 60.3 | Low | 163 Ų | 163 | 110 Ų | 110 | 80% | 0.803 | 74% | 0.744 | S | S | * | * | trans | -79.6 | 107.7 | 167.9 | -69.5 | -69.1 | 127.9 | 0 | 0 | 107.4 | A55 C59 | A55-M57 VanDerWaalsContact C-N 3.29Å; A55-M57 HydrophobicContact CB-CE 4.04Å; A55-M57 PolarHBondContact O-N 3.2Å; M57-C59 PolarHBondContact O-N 3.11Å | ||
| 58 | S | 60 | Low | 60.8 | Low | 112 Ų | 112 | 112.3 Ų | 112.3 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 117.1 | 170 | 164.6 | 0 | 0 | 0 | 0 | 109.6 | A56 | A56-S58 PolarHBondContact O-N 3.35Š|
| 59 | C | 53.3 | Low | 62 | Low | 113 Ų | 113 | 109.6 Ų | 109.6 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 129.1 | 167.1 | -85.8 | 0 | 0 | 0 | 0 | 109.1 | M57 | M57-C59 PolarHBondContact O-N 3.11Š|
| 60 | P | 65.3 | Low | 62.9 | Low | 110 Ų | 110 | 107.4 Ų | 107.4 | 71% | 0.714 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 143.6 | 165.2 | 26.6 | -31.4 | 0 | 0 | 0 | 109.4 | ||
| 61 | P | 67.5 | Low | 64 | Low | 113 Ų | 113 | 109.2 Ų | 109.2 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 146.2 | 176.5 | 26.3 | -33.5 | 0 | 0 | 0 | 110.3 | ||
| 62 | P | 68 | Low | 65.2 | Low | 114 Ų | 114 | 108.6 Ų | 108.6 | 74% | 0.74 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 143.9 | 173.7 | 26.2 | -33.5 | 0 | 0 | 0 | 109.4 | A64 | P62-A64 PolarHBondContact O-N 3.01Š|
| 63 | P | 69 | Low | 65.8 | Low | 121 Ų | 121 | 110.2 Ų | 110.2 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135.5 | 174.2 | 24.5 | -32.7 | 0 | 0 | 0 | 108.7 | A65 | P63-A65 PolarHBondContact O-N 3.33Š|
| 64 | A | 65.4 | Low | 66.8 | Low | 95 Ų | 95 | 109 Ų | 109 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -45.5 | 134.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P62 V66 | P62-A64 PolarHBondContact O-N 3.01Å; A64-V66 PolarHBondContact O-N 3.41Å | ||
| 65 | A | 62.2 | Low | 67.7 | Low | 101 Ų | 101 | 110.3 Ų | 110.3 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | trans | -38.2 | 105.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | P63 D67 | P63-A65 PolarHBondContact O-N 3.33Å; A65-D67 PolarHBondContact O-N 3.34Å | ||
| 66 | V | 72 | Confident | 67.8 | Low | 85 Ų | 85 | 112.6 Ų | 112.6 | 52% | 0.515 | 71% | 0.705 | S | S | . | * | trans | -71.4 | 119.6 | 174.6 | 49.3 | 0 | 0 | 0 | 0 | 106.5 | A64 W68 | A64-V66 PolarHBondContact O-N 3.41Å; V66-W68 HydrophobicContact CB-CE3 4.14Å; V66-W68 HydrophobicContact CB-CH2 4.01Å; V66-W68 HydrophobicContact CB-CZ3 3.65Å; V66-W68 HydrophobicContact CG1-CD2 4.35Å; V66-W68 HydrophobicContact CG1-CE3 3.76Å; V66-W68 HydrophobicContact CG1-CH2 2.89Å; V66-W68 HydrophobicContact CG1-CZ2 3.45Å; V66-W68 VanDerWaalsContact CG1-CZ2 3.45Å; V66-W68 HydrophobicContact CG1-CZ3 3.03Å; V66-W68 HydrophobicContact CG2-CE3 3.77Å; V66-W68 HydrophobicContact CG2-CH2 4.08Å; V66-W68 HydrophobicContact CG2-CZ3 3.28Å; V66-W68 VanDerWaalsContact O-CD2 3.28Å; V66-W68 VanDerWaalsContact O-CE3 3.31Å; V66-W68 PolarHBondContact O-N 3.25Å; V66-W68 VanDerWaalsContact O-N 3.12Å | ||
| 67 | D | 77.2 | Confident | 67.8 | Low | 87 Ų | 87 | 113.3 Ų | 113.3 | 47% | 0.465 | 70% | 0.699 | S | S | . | * | trans | -76.1 | 101.8 | -174 | 173.8 | 28.3 | 0 | 0 | 0 | 109.7 | A65 A69 S70 | A65-D67 PolarHBondContact O-N 3.34Å; D67-A69 PolarHBondContact O-N 3.13Å; D67-A69 VanDerWaalsContact OD1-CB 3.22Å; D67-A69 WeakPolarHBondContact OD1-CB 3.26Å; D67-A69 PolarHBondContact OD1-N 3.07Å; D67-S70 PolarHBondContact O-N 3.43Å; D67-S70 WeakPolarHBondContact OD2-CB 3.5Å; D67-S70 PolarHBondContact OD2-N 2.86Å; D67-S70 PolarHBondContact OD2-OG 3.34Å | ||
| 68 | W | 78.9 | Confident | 67.4 | Low | 171 Ų | 171 | 111.7 Ų | 111.7 | 65% | 0.648 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -61.7 | -24.2 | 176.4 | -51.8 | 153 | 0 | 0 | 0 | 113 | V66 L71 | V66-W68 HydrophobicContact CB-CE3 4.14Å; V66-W68 HydrophobicContact CB-CH2 4.01Å; V66-W68 HydrophobicContact CB-CZ3 3.65Å; V66-W68 HydrophobicContact CG1-CD2 4.35Å; V66-W68 HydrophobicContact CG1-CE3 3.76Å; V66-W68 HydrophobicContact CG1-CH2 2.89Å; V66-W68 HydrophobicContact CG1-CZ2 3.45Å; V66-W68 VanDerWaalsContact CG1-CZ2 3.45Å; V66-W68 HydrophobicContact CG1-CZ3 3.03Å; V66-W68 HydrophobicContact CG2-CE3 3.77Å; V66-W68 HydrophobicContact CG2-CH2 4.08Å; V66-W68 HydrophobicContact CG2-CZ3 3.28Å; V66-W68 VanDerWaalsContact O-CD2 3.28Å; V66-W68 VanDerWaalsContact O-CE3 3.31Å; V66-W68 PolarHBondContact O-N 3.25Å; V66-W68 VanDerWaalsContact O-N 3.12Å; W68-L71 HydrophobicContact CE3-CD1 3.96Å; W68-L71 HydrophobicContact CZ3-CD1 4.16Å; W68-L71 PolarHBondContact O-N 2.85Å |
| 69 | A | 77.2 | Confident | 66.8 | Low | 52 Ų | 52 | 109.6 Ų | 109.6 | 43% | 0.43 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -67.1 | -40.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D67 L71 L72 L73 | D67-A69 PolarHBondContact O-N 3.13Å; D67-A69 VanDerWaalsContact OD1-CB 3.22Å; D67-A69 WeakPolarHBondContact OD1-CB 3.26Å; D67-A69 PolarHBondContact OD1-N 3.07Å; A69-L71 VanDerWaalsContact C-N 3.25Å; A69-L71 PolarHBondContact O-N 2.89Å; A69-L72 PolarHBondContact O-N 2.65Å; A69-L72 VanDerWaalsContact O-N 3.08Å; A69-L73 VanDerWaalsContact O-CD1 3.24Å; A69-L73 WeakPolarHBondContact O-CD1 3.21Å; A69-L73 PolarHBondContact O-N 2.87Å |
| 70 | S | 74.4 | Confident | 66.7 | Low | 80 Ų | 80 | 109.1 Ų | 109.1 | 56% | 0.559 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -64.3 | -27 | 178.3 | -68.4 | 0 | 0 | 0 | 0 | 113.6 | D67 L72 | D67-S70 PolarHBondContact O-N 3.43Å; D67-S70 WeakPolarHBondContact OD2-CB 3.5Å; D67-S70 PolarHBondContact OD2-N 2.86Å; D67-S70 PolarHBondContact OD2-OG 3.34Å; S70-L72 VanDerWaalsContact C-N 3.31Å |
| 71 | L | 75 | Confident | 66 | Low | 131 Ų | 131 | 108.9 Ų | 108.9 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -75.7 | -19.9 | 175.4 | -65.2 | 179.1 | 0 | 0 | 0 | 113.4 | W68 A69 | W68-L71 HydrophobicContact CE3-CD1 3.96Å; W68-L71 HydrophobicContact CZ3-CD1 4.16Å; W68-L71 PolarHBondContact O-N 2.85Å; A69-L71 VanDerWaalsContact C-N 3.25Å; A69-L71 PolarHBondContact O-N 2.89Å |
| 72 | L | 78.2 | Confident | 64.8 | Low | 146 Ų | 146 | 111.9 Ų | 111.9 | 76% | 0.764 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -95.6 | -12 | -179.3 | -65.3 | 174 | 0 | 0 | 0 | 112.9 | A69 S70 | A69-L72 PolarHBondContact O-N 2.65Å; A69-L72 VanDerWaalsContact O-N 3.08Å; S70-L72 VanDerWaalsContact C-N 3.31Å |
| 73 | L | 73.1 | Confident | 64.2 | Low | 124 Ų | 124 | 113.4 Ų | 113.4 | 65% | 0.649 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -82.9 | 122.9 | 175.7 | -93.8 | 75.8 | 0 | 0 | 0 | 110.3 | A69 | A69-L73 VanDerWaalsContact O-CD1 3.24Å; A69-L73 WeakPolarHBondContact O-CD1 3.21Å; A69-L73 PolarHBondContact O-N 2.87Å |
| 74 | P | 68 | Low | 62.7 | Low | 106 Ų | 106 | 111.8 Ų | 111.8 | 69% | 0.688 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 143.4 | 168.1 | 27.5 | -32 | 0 | 0 | 0 | 109.7 | S76 | P74-S76 PolarHBondContact O-N 2.82Š|
| 75 | P | 66.4 | Low | 61.8 | Low | 109 Ų | 109 | 112.9 Ų | 112.9 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 124.4 | 174.8 | 24.5 | -31.6 | 0 | 0 | 0 | 109.7 | T77 | P75-T77 VanDerWaalsContact C-N 3.25Å; P75-T77 PolarHBondContact O-N 2.79Å |
| 76 | S | 57.5 | Low | 60.7 | Low | 126 Ų | 126 | 112.1 Ų | 112.1 | 88% | 0.881 | 72% | 0.724 | S | S | * | * | trans | -63.6 | 82.8 | 174.2 | -36.6 | 0 | 0 | 0 | 0 | 109.8 | P74 | P74-S76 PolarHBondContact O-N 2.82Š| ||
| 77 | T | 52.7 | Low | 59.9 | Low | 121 Ų | 121 | 114.5 Ų | 114.5 | 74% | 0.742 | 74% | 0.738 | S | S | * | * | trans | -94.9 | 113.1 | 166 | 48.1 | 0 | 0 | 0 | 0 | 107.6 | P75 G79 | P75-T77 VanDerWaalsContact C-N 3.25Å; P75-T77 PolarHBondContact O-N 2.79Å; T77-G79 PolarHBondContact O-N 2.98Å | ||
| 78 | S | 53.8 | Low | 58.7 | Low | 129 Ų | 129 | 116.4 Ų | 116.4 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | trans | -60.2 | 111.9 | 168.8 | 44.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 79 | G | 48.1 | Very low | 57.4 | Low | 68 Ų | 68 | 112.6 Ų | 112.6 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | trans | 138.9 | 127.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T77 | T77-G79 PolarHBondContact O-N 2.98Š| ||
| 80 | A | 50.9 | Low | 56.4 | Low | 102 Ų | 102 | 116.4 Ų | 116.4 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 82.7 | 99.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 81 | S | 49.8 | Very low | 55.5 | Low | 105 Ų | 105 | 118.2 Ų | 118.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | 67.5 | 103 | 123.2 | -155.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 82 | E | 44.1 | Very low | 54.5 | Low | 176 Ų | 176 | 118 Ų | 118 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | 39.2 | 94.1 | 131.6 | -42.3 | -74.5 | 101.9 | 0 | 0 | 118.4 | ||||
| 83 | V | 54.7 | Low | 53.3 | Low | 147 Ų | 147 | 116.9 Ų | 116.9 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -151.2 | 114.2 | 139.8 | -84.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 84 | G | 36.7 | Very low | 52.2 | Low | 87 Ų | 87 | 115.7 Ų | 115.7 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -82.8 | 136.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 85 | C | 46.4 | Very low | 51 | Low | 117 Ų | 117 | 115.7 Ų | 115.7 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -134 | 116.8 | 156.3 | 57.1 | 0 | 0 | 0 | 0 | 108.4 | V87 | C85-V87 PolarHBondContact O-N 2.94Š| ||
| 86 | G | 39.9 | Very low | 49.8 | Very low | 86 Ų | 86 | 113.6 Ų | 113.6 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 117.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 87 | V | 55.5 | Low | 49.2 | Very low | 135 Ų | 135 | 113.9 Ų | 113.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 120.2 | 161.6 | -71.1 | 0 | 0 | 0 | 0 | 108.2 | C85 A89 | C85-V87 PolarHBondContact O-N 2.94Å; V87-A89 PolarHBondContact O-N 3.01Å |
| 88 | S | 52.3 | Low | 48.5 | Very low | 126 Ų | 126 | 118.2 Ų | 118.2 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 124.1 | 179.2 | -81.7 | 0 | 0 | 0 | 0 | 111.1 | V90 | S88-V90 PolarHBondContact O-N 3.19Š|
| 89 | A | 51.2 | Low | 47.9 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 116.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V87 T91 | V87-A89 PolarHBondContact O-N 3.01Å; A89-T91 PolarHBondContact O-N 2.83Å |
| 90 | V | 55.9 | Low | 47.4 | Very low | 133 Ų | 133 | 117.7 Ų | 117.7 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | trans | -76.4 | 107.5 | 164.6 | 56.7 | 0 | 0 | 0 | 0 | 108.1 | S88 | S88-V90 PolarHBondContact O-N 3.19Š| ||
| 91 | T | 54.7 | Low | 46.8 | Very low | 117 Ų | 117 | 117.5 Ų | 117.5 | 72% | 0.718 | 82% | 0.82 | S | S | * | * | trans | -91.8 | 103.4 | 173.9 | -25.8 | 0 | 0 | 0 | 0 | 109.2 | A89 V93 | A89-T91 PolarHBondContact O-N 2.83Å; T91-V93 PolarHBondContact O-N 3.16Å | ||
| 92 | T | 54.3 | Low | 46.6 | Very low | 126 Ų | 126 | 119.5 Ų | 119.5 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | -76.5 | 106.5 | 167.5 | -56.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 93 | V | 53.3 | Low | 46.6 | Very low | 124 Ų | 124 | 116.3 Ų | 116.3 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | -91 | 102.7 | 171.6 | -67.3 | 0 | 0 | 0 | 0 | 110.3 | T91 A95 | T91-V93 PolarHBondContact O-N 3.16Å; V93-A95 PolarHBondContact O-N 3.33Å | ||
| 94 | A | 49.3 | Very low | 46.1 | Very low | 98 Ų | 98 | 113.1 Ų | 113.1 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | -78.6 | 91.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | G96 | A94-G96 PolarHBondContact O-N 3.47Å; A94-G96 VanDerWaalsContact O-N 3.13Å | ||
| 95 | A | 43.5 | Very low | 46.5 | Very low | 107 Ų | 107 | 119 Ų | 119 | 88% | 0.884 | 83% | 0.832 | S | S | * | * | trans | -79.1 | 97.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | V93 | V93-A95 PolarHBondContact O-N 3.33Š| ||
| 96 | G | 42.2 | Very low | 46.5 | Very low | 64 Ų | 64 | 117.1 Ų | 117.1 | 66% | 0.66 | 83% | 0.834 | S | S | * | * | trans | -157 | 89.5 | 168 | 0 | 0 | 0 | 0 | 0 | 111.1 | A94 | A94-G96 PolarHBondContact O-N 3.47Å; A94-G96 VanDerWaalsContact O-N 3.13Å | ||
| 97 | S | 43.3 | Very low | 47 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 92% | 0.923 | 83% | 0.827 | S | S | * | * | trans | 173.1 | 145.8 | 142.3 | -81.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 98 | K | 38.5 | Very low | 46.7 | Very low | 213 Ų | 213 | 120.4 Ų | 120.4 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | trans | -74.2 | 143.2 | -174.9 | -64.4 | 173.4 | 174.6 | 174.8 | 0 | 113.3 | ||||
| 99 | A | 40.4 | Very low | 46.6 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 90% | 0.901 | 82% | 0.816 | S | S | * | * | trans | 172.4 | 144.8 | 143.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 100 | G | 38.5 | Very low | 46.5 | Very low | 76 Ų | 76 | 123.9 Ų | 123.9 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | cis | -178.2 | 164.1 | 6.7 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 101 | A | 39.3 | Very low | 45.9 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -45.7 | 152.2 | -167.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 102 | T | 44 | Very low | 45.4 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 91% | 0.908 | 82% | 0.822 | S | S | * | * | -155.1 | 144.7 | 123.9 | 47.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 103 | A | 45.1 | Very low | 45 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 89% | 0.893 | 83% | 0.827 | S | S | * | * | trans | -73.4 | 159.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 104 | G | 43.3 | Very low | 44.4 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -172.4 | 107.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 105 | E | 45.9 | Very low | 43.9 | Very low | 210 Ų | 210 | 125.6 Ų | 125.6 | 98% | 0.981 | 83% | 0.83 | S | S | * | * | trans | -71.9 | 148 | -171.3 | -158.3 | 137 | 100 | 0 | 0 | 113.7 | ||||
| 106 | G | 47.4 | Very low | 43.9 | Very low | 79 Ų | 79 | 130.2 Ų | 130.2 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | trans | 171 | 89.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 107 | D | 49.1 | Very low | 43.8 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 75% | 0.749 | 84% | 0.844 | S | S | * | * | trans | -66.1 | 133.8 | 176.8 | 178.5 | 73.3 | 0 | 0 | 0 | 114 | ||||
| 108 | N | 48.6 | Very low | 43.7 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | trans | -165.6 | 128.9 | 133.5 | -150.2 | -98.7 | 0 | 0 | 0 | 113 | ||||
| 109 | S | 50.8 | Low | 43.5 | Very low | 94 Ų | 94 | 127.9 Ų | 127.9 | 66% | 0.657 | 83% | 0.833 | S | S | * | * | trans | -72.8 | 131.6 | -176 | -72.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 110 | K | 48.8 | Very low | 43.8 | Very low | 195 Ų | 195 | 126 Ų | 126 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -168.2 | 126.4 | 136.5 | -129.4 | -179.8 | 173.7 | 161 | 0 | 115.3 | ||||
| 111 | T | 44.6 | Very low | 44.4 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.724 | 83% | 0.832 | S | S | * | * | trans | 83.6 | 103.9 | 146.6 | -23.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 112 | V | 43.1 | Very low | 45 | Very low | 139 Ų | 139 | 133 Ų | 133 | 84% | 0.842 | 83% | 0.829 | S | S | * | * | trans | -76.9 | 121.6 | 164.5 | -158.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 113 | K | 46.2 | Very low | 45.8 | Very low | 200 Ų | 200 | 135.1 Ų | 135.1 | 87% | 0.87 | 83% | 0.825 | S | S | * | * | trans | -135.9 | 104.6 | 151.9 | -92.5 | -170.5 | 176.6 | 174.8 | 0 | 108.8 | ||||
| 114 | A | 40.5 | Very low | 46.7 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -57.9 | 136 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 115 | G | 39.9 | Very low | 47.8 | Very low | 76 Ų | 76 | 143 Ų | 143 | 78% | 0.784 | 83% | 0.825 | S | S | * | * | trans | 176.2 | 85.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 116 | K | 42.8 | Very low | 49 | Very low | 204 Ų | 204 | 139.9 Ų | 139.9 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | 81.6 | 93.2 | 149.3 | -147.8 | 154.4 | -178.5 | 174.2 | 0 | 117.7 | G118 | K116-G118 PolarHBondContact O-N 3.2Š| ||
| 117 | Q | 40.2 | Very low | 50.5 | Low | 202 Ų | 202 | 141.1 Ų | 141.1 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | trans | -52.8 | 106 | 147.2 | -70.5 | 175.7 | 6.9 | 0 | 0 | 108.8 | ||||
| 118 | G | 40.6 | Very low | 51.9 | Low | 70 Ų | 70 | 138.1 Ų | 138.1 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -101.7 | 88.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | K116 G120 | K116-G118 PolarHBondContact O-N 3.2Å; G118-G120 PolarHBondContact O-N 3.06Å | ||
| 119 | G | 35.4 | Very low | 53.8 | Low | 87 Ų | 87 | 134.9 Ų | 134.9 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -64.4 | 100.6 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 120 | G | 45.3 | Very low | 55.8 | Low | 71 Ų | 71 | 139.4 Ų | 139.4 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | -105.4 | 106 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | G118 G122 | G118-G120 PolarHBondContact O-N 3.06Å; G120-G122 PolarHBondContact O-N 2.83Å | ||
| 121 | R | 51.7 | Low | 58 | Low | 247 Ų | 247 | 134.9 Ų | 134.9 | 93% | 0.932 | 76% | 0.764 | S | S | * | * | trans | -36.7 | 113.6 | 176.6 | -71.4 | 170.4 | 168.2 | 168.4 | -5.5 | 113 | K123 | R121-K123 PolarHBondContact O-N 2.73Š| ||
| 122 | G | 51 | Low | 60.4 | Low | 73 Ų | 73 | 132.4 Ų | 132.4 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | -65.2 | 90.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | G120 N124 | G120-G122 PolarHBondContact O-N 2.83Å; G122-N124 PolarHBondContact O-N 3.04Å | ||
| 123 | K | 62.3 | Low | 63 | Low | 192 Ų | 192 | 129.7 Ų | 129.7 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | trans | -74.7 | 109.3 | 164.1 | -160.6 | 157.7 | 175.8 | 172.8 | 0 | 105.6 | R121 K125 | R121-K123 PolarHBondContact O-N 2.73Å; K123-K125 VanDerWaalsContact C-N 3.28Å; K123-K125 PolarHBondContact O-N 3.08Å | ||
| 124 | N | 62.8 | Low | 65.4 | Low | 160 Ų | 160 | 126.5 Ų | 126.5 | 86% | 0.856 | 72% | 0.721 | S | S | * | * | trans | -50.5 | 89.9 | 179.1 | -71.7 | -23.8 | 0 | 0 | 0 | 110.2 | G122 V126 | G122-N124 PolarHBondContact O-N 3.04Å; N124-V126 PolarHBondContact O-N 3.29Å | ||
| 125 | K | 66.3 | Low | 68.1 | Low | 195 Ų | 195 | 123.7 Ų | 123.7 | 85% | 0.848 | 69% | 0.693 | S | S | * | * | trans | -75.3 | 105.6 | 170.6 | -80.4 | -179.7 | 172.6 | -165.1 | 0 | 105.3 | K123 S127 | K123-K125 VanDerWaalsContact C-N 3.28Å; K123-K125 PolarHBondContact O-N 3.08Å; K125-S127 PolarHBondContact O-N 3.39Å | ||
| 126 | V | 71.7 | Confident | 70.9 | Confident | 143 Ų | 143 | 130.2 Ų | 130.2 | 87% | 0.867 | 69% | 0.694 | S | S | * | * | trans | -51 | 105.5 | 167.4 | 179.7 | 0 | 0 | 0 | 0 | 106.7 | N124 | N124-V126 PolarHBondContact O-N 3.29Š| ||
| 127 | S | 78.3 | Confident | 73.4 | Confident | 106 Ų | 106 | 121.5 Ų | 121.5 | 74% | 0.741 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 132.9 | -179.8 | -177 | 0 | 0 | 0 | 0 | 107.8 | K125 | K125-S127 PolarHBondContact O-N 3.39Š|
| 128 | R | 78.9 | Confident | 76 | Confident | 77 Ų | 77 | 120.2 Ų | 120.2 | 29% | 0.291 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -55 | 140.3 | 176.7 | -68.8 | 174.4 | 79.7 | -144.4 | 6.3 | 109.2 | R130 D174 E194 | R128-R130 PolarHBondContact O-N 2.64Å; R128-D174 IonicContact CZ-OD2 3.61Å; R128-D174 IonicContact NE-OD2 2.72Å; R128-D174 PolarHBondContact NH2-O 3.07Å; R128-D174 IonicContact NH2-OD1 3.57Å; R128-D174 IonicContact NH2-OD2 2.72Å; R128-D174 PolarHBondContact NH2-OD2 2.73Å; R128-E194 HydrophobicContact CB-CG 4.16Å; R128-E194 WeakPolarHBondContact CD-OE1 3.47Å; R128-E194 IonicContact CZ-OE1 2.63Å; R128-E194 IonicContact NE-OE1 3.86Å; R128-E194 IonicContact NH1-OE1 3.92Å; R128-E194 PolarHBondContact NH1-OE1 3.46Å; R128-E194 IonicContact NH1-OE2 3.85Å |
| 129 | P | 88.2 | Confident | 78.5 | Confident | 81 Ų | 81 | 122.1 Ų | 122.1 | 53% | 0.526 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -52.7 | 128.1 | 174 | -25.4 | 33.9 | 0 | 0 | 0 | 109.9 | E194 G195 | P129-E194 WeakPolarHBondContact O-CA 3.41Å; P129-G195 PolarHBondContact O-N 3.44Å |
| 130 | R | 93.6 | Very high | 81.3 | Confident | 189 Ų | 189 | 120.5 Ų | 120.5 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -135.5 | 124.5 | 179.5 | -166.9 | 176.8 | 67.8 | 169.6 | 0.4 | 109.4 | R128 T192 Y193 | R128-R130 PolarHBondContact O-N 2.64Å; R130-T192 HydrophobicContact CG-CG2 3.74Å; R130-Y193 VanDerWaalsContact CA-O 3.31Å; R130-Y193 WeakPolarHBondContact CA-O 3.34Å; R130-Y193 VanDerWaalsContact CG-O 3.3Å; R130-Y193 WeakPolarHBondContact CG-O 3.27Å |
| 131 | F | 95 | Very high | 83.6 | Confident | 101 Ų | 101 | 122.7 Ų | 122.7 | 44% | 0.443 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.6 | 178.3 | 59.3 | -86.4 | 0 | 0 | 0 | 109.9 | F133 T192 Y193 | F131-F133 HydrophobicContact CD2-CD1 4.44Å; F131-F133 HydrophobicContact CE2-CE1 4.38Å; F131-T192 CarbonylContact O-C 3.5Å; F131-T192 WeakPolarHBondContact O-CA 3.49Å; F131-Y193 AromaticContact CD2-CD2 3.82Å; F131-Y193 HydrophobicContact CD2-CD2 3.82Å; F131-Y193 HydrophobicContact CD2-CG 4.15Å; F131-Y193 HydrophobicContact CE1-CG 4.15Å; F131-Y193 HydrophobicContact CE2-CD1 4.25Å; F131-Y193 AromaticContact CE2-CD2 3.22Å; F131-Y193 HydrophobicContact CE2-CD2 3.22Å; F131-Y193 HydrophobicContact CE2-CE2 4.05Å; F131-Y193 AromaticContact CE2-CG 3.36Å; F131-Y193 HydrophobicContact CE2-CG 3.36Å; F131-Y193 AromaticContact CZ-CD1 3.99Å; F131-Y193 HydrophobicContact CZ-CD1 3.99Å; F131-Y193 AromaticContact CZ-CD2 3.79Å; F131-Y193 HydrophobicContact CZ-CD2 3.79Å; F131-Y193 AromaticContact CZ-CG 3.38Å; F131-Y193 HydrophobicContact CZ-CG 3.38Å; F131-Y193 PolarHBondContact N-O 3.35Å; F131-Y193 PolarHBondContact O-N 3.48Å |
| 132 | A | 95.8 | Very high | 85.5 | Confident | 66 Ų | 66 | 113.4 Ų | 113.4 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -139.1 | 143.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T191 T192 | A132-T191 VanDerWaalsContact CA-O 3.25Å; A132-T191 WeakPolarHBondContact CA-O 3.44Å; A132-T192 HydrophobicContact CB-CG2 4.14Å; A132-T192 WeakPolarHBondContact CB-OG1 3.49Å |
| 133 | F | 96.8 | Very high | 87.5 | Confident | 82 Ų | 82 | 115.2 Ų | 115.2 | 36% | 0.36 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141.5 | 161.6 | 175.8 | 57.4 | -96 | 0 | 0 | 0 | 110.5 | F131 T135 V190 T191 Y193 | F131-F133 HydrophobicContact CD2-CD1 4.44Å; F131-F133 HydrophobicContact CE2-CE1 4.38Å; F133-T135 WeakPolarHBondContact CD2-OG1 3.25Å; F133-T135 WeakPolarHBondContact CE2-OG1 3.28Å; F133-V190 WeakPolarHBondContact O-CA 3.35Å; F133-T191 HydrophobicContact CZ-CG2 4.32Å; F133-T191 PolarHBondContact N-O 2.64Å; F133-T191 PolarHBondContact O-N 3.26Å; F133-Y193 HydrophobicContact CD1-CE2 4.43Å; F133-Y193 AromaticContact CE1-CD2 3.8Å; F133-Y193 HydrophobicContact CE1-CD2 3.8Å; F133-Y193 AromaticContact CE1-CE2 3.32Å; F133-Y193 HydrophobicContact CE1-CE2 3.32Å; F133-Y193 HydrophobicContact CZ-CD2 4.45Å; F133-Y193 AromaticContact CZ-CE2 3.55Å; F133-Y193 HydrophobicContact CZ-CE2 3.55Å |
| 134 | Q | 97 | Very high | 89 | Confident | 133 Ų | 133 | 108.2 Ų | 108.2 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.1 | 177.4 | -68 | -176.5 | 31.3 | 0 | 0 | 108.9 | I188 V190 | Q134-I188 HydrophobicContact CB-CG2 3.84Å; Q134-I188 HydrophobicContact CG-CG2 4.05Å; Q134-V190 HydrophobicContact CG-CG2 4.14Å |
| 135 | T | 97.1 | Very high | 90.5 | Very high | 42 Ų | 42 | 101.1 Ų | 101.1 | 26% | 0.258 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133.2 | 175.1 | -53.8 | 0 | 0 | 0 | 0 | 109 | F133 S137 L142 I188 V189 | F133-T135 WeakPolarHBondContact CD2-OG1 3.25Å; F133-T135 WeakPolarHBondContact CE2-OG1 3.28Å; T135-S137 PolarHBondContact O-N 3.25Å; T135-L142 HydrophobicContact CG2-CD1 3.69Å; T135-I188 WeakPolarHBondContact O-CA 3.43Å; T135-V189 PolarHBondContact N-O 3.27Å; T135-V189 PolarHBondContact O-N 2.96Å |
| 136 | R | 97.3 | Very high | 91.9 | Very high | 213 Ų | 213 | 95.1 Ų | 95.1 | 80% | 0.804 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 111.7 | 167.9 | -70.9 | -177.6 | 176.2 | -178.8 | -1 | 108.4 | S187 I188 | R136-S187 CarbonylContact C-O 3.53Å; R136-S187 VanDerWaalsContact CA-O 3.26Å; R136-S187 WeakPolarHBondContact CA-O 3.49Å; R136-I188 HydrophobicContact CG-CG1 4.29Å |
| 137 | S | 95.6 | Very high | 93 | Very high | 22 Ų | 22 | 94.2 Ų | 94.2 | 15% | 0.154 | 46% | 0.462 | C | S | . | . | trans | -158 | 141.2 | -175.7 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | T135 N139 L142 R181 S187 | T135-S137 PolarHBondContact O-N 3.25Å; S137-N139 VanDerWaalsContact C-N 3.32Å; S137-N139 PolarHBondContact OG-N 2.8Å; S137-N139 PolarHBondContact OG-O 2.78Å; S137-L142 WeakPolarHBondContact OG-CD2 3.44Å; S137-R181 PolarHBondContact O-NH1 3.47Å; S137-S187 PolarHBondContact N-O 2.95Å | ||
| 138 | E | 95 | Very high | 93.9 | Very high | 174 Ų | 174 | 91.2 Ų | 91.2 | 81% | 0.813 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -72.6 | -28.2 | 169.8 | -170.3 | 172.1 | -173.1 | 0 | 0 | 111.5 | R181 | E138-R181 PolarHBondContact O-NH2 2.87Š|
| 139 | N | 94.3 | Very high | 94.8 | Very high | 110 Ų | 110 | 95.1 Ų | 95.1 | 59% | 0.588 | 45% | 0.449 | S | S | * | . | trans | -94 | 137.4 | 178.4 | -56.4 | 93.5 | 0 | 0 | 0 | 112.2 | S137 R181 | S137-N139 VanDerWaalsContact C-N 3.32Å; S137-N139 PolarHBondContact OG-N 2.8Å; S137-N139 PolarHBondContact OG-O 2.78Å; N139-R181 VanDerWaalsContact C-NH2 3.32Å | ||
| 140 | D | 93 | Very high | 95.3 | Very high | 54 Ų | 54 | 96 Ų | 96 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -72.3 | -33.9 | 172.9 | -73 | -21 | 0 | 0 | 0 | 112 | V179 R181 | D140-V179 HydrophobicContact CB-CG1 4.12Å; D140-V179 WeakPolarHBondContact O-CG1 3.46Å; D140-R181 IonicContact OD1-CZ 3.08Å; D140-R181 IonicContact OD1-NE 2.82Å; D140-R181 PolarHBondContact OD1-NE 2.94Å; D140-R181 IonicContact OD1-NH2 2.64Å; D140-R181 PolarHBondContact OD1-NH2 2.91Å |
| 141 | I | 93.3 | Very high | 95.5 | Very high | 117 Ų | 117 | 92.1 Ų | 92.1 | 60% | 0.6 | 43% | 0.431 | S | S | * | . | trans | -97.5 | 109.1 | -175.4 | -53.5 | -175.1 | 0 | 0 | 0 | 108.4 | Y166 | I141-Y166 WeakPolarHBondContact CD1-OH 3.44Š| ||
| 142 | L | 92.6 | Very high | 95.7 | Very high | 52 Ų | 52 | 88.6 Ų | 88.6 | 27% | 0.272 | 42% | 0.423 | S | S | . | . | trans | -98.6 | 140.7 | 174.3 | -59.6 | 176.3 | 0 | 0 | 0 | 110.3 | T135 S137 D144 | T135-L142 HydrophobicContact CG2-CD1 3.69Å; S137-L142 WeakPolarHBondContact OG-CD2 3.44Å; L142-D144 PolarHBondContact O-N 2.93Å | ||
| 143 | D | 93 | Very high | 95.8 | Very high | 110 Ų | 110 | 90.8 Ų | 90.8 | 59% | 0.588 | 42% | 0.422 | S | S | * | . | trans | -80.2 | 108.2 | 171.5 | -178.1 | 16 | 0 | 0 | 0 | 109.7 | G145 K203 | D143-G145 PolarHBondContact OD1-N 2.87Å; D143-K203 IonicContact OD2-NZ 3.87Å; D143-K203 PolarHBondContact OD2-NZ 2.95Å | ||
| 144 | D | 92.8 | Very high | 95.9 | Very high | 46 Ų | 46 | 93.2 Ų | 93.2 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | trans | -103.9 | 9.7 | 176.2 | 58.2 | 15.5 | 0 | 0 | 0 | 112 | L142 Y146 W148 K177 Y193 | L142-D144 PolarHBondContact O-N 2.93Å; D144-Y146 PolarHBondContact O-N 2.92Å; D144-Y146 PolarHBondContact OD1-N 2.71Å; D144-W148 VanDerWaalsContact CG-NE1 3.27Å; D144-W148 PolarHBondContact OD1-NE1 2.82Å; D144-W148 PolarHBondContact OD2-NE1 3.25Å; D144-K177 IonicContact OD1-NZ 2.79Å; D144-K177 IonicContact OD2-NZ 3.64Å; D144-K177 PolarHBondContact OD2-NZ 3.06Å; D144-Y193 PolarHBondContact OD2-OH 3.27Å | ||
| 145 | G | 94.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 91.1 Ų | 91.1 | 11% | 0.113 | 44% | 0.438 | C | S | . | . | S | Bend | trans | 74.9 | -1.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D143 C201 E202 | D143-G145 PolarHBondContact OD1-N 2.87Å; G145-C201 VanDerWaalsContact CA-SG 3.55Å; G145-C201 PolarHBondContact O-SG 3.38Å; G145-E202 PolarHBondContact O-N 3.17Å |
| 146 | Y | 96 | Very high | 95.9 | Very high | 69 Ų | 69 | 91 Ų | 91 | 27% | 0.271 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -98.3 | 148.6 | 170.2 | -67.9 | -74.8 | 0 | 0 | 0 | 110.7 | D144 W148 H197 H199 C201 | D144-Y146 PolarHBondContact O-N 2.92Å; D144-Y146 PolarHBondContact OD1-N 2.71Å; Y146-W148 HydrophobicContact CD2-CZ2 4.48Å; Y146-W148 HydrophobicContact CG-CZ2 4.41Å; Y146-W148 PolarHBondContact O-NE1 2.93Å; Y146-H197 AromaticContact CD1-CE1 3.58Å; Y146-H197 AromaticContact CD1-CG 3.81Å; Y146-H197 AromaticContact CD1-ND1 3.52Å; Y146-H197 AromaticContact CD1-NE2 3.9Å; Y146-H197 AromaticContact CD2-CD2 3.98Å; Y146-H197 AromaticContact CD2-NE2 3.73Å; Y146-H197 HydrophobicContact CE1-CB 3.71Å; Y146-H197 AromaticContact CE1-CD2 3.68Å; Y146-H197 AromaticContact CE1-CE1 3.98Å; Y146-H197 AromaticContact CE1-CG 3.38Å; Y146-H197 AromaticContact CE1-ND1 3.58Å; Y146-H197 AromaticContact CE2-CD2 3.65Å; Y146-H197 AromaticContact CE2-NE2 3.9Å; Y146-H197 AromaticContact CG-CE1 3.67Å; Y146-H197 AromaticContact CG-NE2 3.71Å; Y146-H197 AromaticContact CZ-CD2 3.47Å; Y146-H197 VanDerWaalsContact CZ-CD2 3.47Å; Y146-H197 AromaticContact CZ-CG 3.61Å; Y146-H199 AromaticContact CD1-CE1 3.7Å; Y146-C201 HydrophobicContact CE1-CB 4.11Å |
| 147 | R | 95.8 | Very high | 95.8 | Very high | 124 Ų | 124 | 89.5 Ų | 89.5 | 47% | 0.468 | 44% | 0.436 | S | S | . | . | trans | -92.2 | 116.4 | 179.5 | -167.5 | 177.1 | 64.4 | -131.8 | -7.7 | 111.2 | T169 E202 | R147-T169 VanDerWaalsContact CB-OG1 3.27Å; R147-T169 WeakPolarHBondContact CB-OG1 3.4Å; R147-T169 HydrophobicContact CG-CG2 4.14Å; R147-T169 WeakPolarHBondContact CG-OG1 3.29Å; R147-T169 PolarHBondContact NE-OG1 2.63Å; R147-T169 PolarHBondContact NH2-OG1 3.49Å; R147-T169 WeakPolarHBondContact O-CG2 3.22Å; R147-T169 PolarHBondContact O-N 3.42Å; R147-T169 PolarHBondContact O-OG1 2.72Å; R147-E202 IonicContact CZ-OE1 3.12Å; R147-E202 IonicContact CZ-OE2 3.59Å; R147-E202 IonicContact NE-OE2 3.97Å; R147-E202 IonicContact NH1-OE1 2.69Å; R147-E202 PolarHBondContact NH1-OE1 3.19Å; R147-E202 IonicContact NH1-OE2 2.94Å; R147-E202 PolarHBondContact NH1-OE2 2.86Å; R147-E202 IonicContact NH2-OE1 3.25Å; R147-E202 PolarHBondContact NH2-OE1 3.44Å | ||
| 148 | W | 97.4 | Very high | 95.7 | Very high | 42 Ų | 42 | 95.2 Ų | 95.2 | 16% | 0.159 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.2 | -173.8 | -59.8 | 93.1 | 0 | 0 | 0 | 112.7 | D144 Y146 Y166 C168 V175 K177 Y193 H197 | D144-W148 VanDerWaalsContact CG-NE1 3.27Å; D144-W148 PolarHBondContact OD1-NE1 2.82Å; D144-W148 PolarHBondContact OD2-NE1 3.25Å; Y146-W148 HydrophobicContact CD2-CZ2 4.48Å; Y146-W148 HydrophobicContact CG-CZ2 4.41Å; Y146-W148 PolarHBondContact O-NE1 2.93Å; W148-Y166 HydrophobicContact CB-CD1 4.1Å; W148-Y166 HydrophobicContact CB-CG 4.49Å; W148-C168 HydrophobicContact CZ3-CB 4.49Å; W148-V175 HydrophobicContact CH2-CB 4.5Å; W148-V175 HydrophobicContact CH2-CG1 3.76Å; W148-V175 HydrophobicContact CZ3-CG1 4.21Å; W148-K177 HydrophobicContact CD2-CD 3.69Å; W148-K177 HydrophobicContact CD2-CG 4.02Å; W148-K177 VanDerWaalsContact CE2-CE 3.49Å; W148-K177 HydrophobicContact CE3-CB 4.45Å; W148-K177 HydrophobicContact CE3-CD 3.88Å; W148-K177 HydrophobicContact CE3-CG 3.67Å; W148-K177 HydrophobicContact CG-CD 4.31Å; W148-K177 VanDerWaalsContact CG-CE 3.41Å; W148-K177 HydrophobicContact CH2-CB 4.16Å; W148-K177 HydrophobicContact CH2-CD 4Å; W148-K177 HydrophobicContact CH2-CG 4.08Å; W148-K177 HydrophobicContact CZ2-CD 3.84Å; W148-K177 HydrophobicContact CZ2-CG 4.42Å; W148-K177 HydrophobicContact CZ3-CB 3.98Å; W148-K177 HydrophobicContact CZ3-CD 4.02Å; W148-K177 HydrophobicContact CZ3-CG 3.69Å; W148-Y193 AromaticContact CH2-CD1 3.82Å; W148-Y193 HydrophobicContact CH2-CD1 3.82Å; W148-Y193 AromaticContact CH2-CE1 3.73Å; W148-Y193 HydrophobicContact CH2-CE1 3.73Å; W148-Y193 HydrophobicContact CZ2-CD1 4.08Å; W148-Y193 AromaticContact CZ2-CE1 3.52Å; W148-Y193 HydrophobicContact CZ2-CE1 3.52Å; W148-H197 AromaticContact CH2-CE1 3.7Å; W148-H197 AromaticContact CH2-NE2 3.51Å; W148-H197 AromaticContact CZ2-CE1 3.84Å; W148-H197 AromaticContact CZ2-NE2 3.59Å |
| 149 | R | 97.6 | Very high | 95.7 | Very high | 160 Ų | 160 | 89 Ų | 89 | 60% | 0.604 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.5 | 168.9 | -142.2 | 170.4 | 171.7 | 91 | -2.7 | 109.8 | Y151 Y166 R167 T169 | R149-Y151 PolarHBondContact O-N 3.12Å; R149-Y166 WeakPolarHBondContact O-CA 3.48Å; R149-R167 HydrophobicContact CB-CG 4.38Å; R149-R167 PolarHBondContact N-O 2.99Å; R149-R167 PolarHBondContact O-N 2.85Å; R149-T169 HydrophobicContact CB-CG2 3.75Å; R149-T169 HydrophobicContact CG-CG2 4.43Å |
| 150 | K | 98.3 | Very high | 95.7 | Very high | 98 Ų | 98 | 88.2 Ų | 88.2 | 43% | 0.426 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 130.9 | 173.2 | -167.9 | 171.9 | -178.8 | 174 | 0 | 108.9 | S164 Y165 Y166 | K150-S164 PolarHBondContact NZ-OG 2.86Å; K150-Y165 WeakPolarHBondContact CA-O 3.49Å; K150-Y166 HydrophobicContact CB-CD1 3.97Å; K150-Y166 HydrophobicContact CB-CE1 3.82Å; K150-Y166 HydrophobicContact CD-CE1 4.45Å; K150-Y166 HydrophobicContact CG-CD1 4.49Å; K150-Y166 HydrophobicContact CG-CE1 4.17Å |
| 151 | Y | 98 | Very high | 95.8 | Very high | 109 Ų | 109 | 88.6 Ų | 88.6 | 43% | 0.427 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | -12.2 | 178.7 | 73.3 | -98 | 0 | 0 | 0 | 113.3 | R149 Y165 Y166 R167 | R149-Y151 PolarHBondContact O-N 3.12Å; Y151-Y165 WeakPolarHBondContact CD1-O 3.15Å; Y151-Y165 HydrophobicContact CE2-CG 4.43Å; Y151-Y165 VanDerWaalsContact CZ-CB 3.41Å; Y151-Y165 PolarHBondContact N-O 2.96Å; Y151-Y165 WeakPolarHBondContact OH-CD1 3.3Å; Y151-Y166 VanDerWaalsContact CD1-C 3.47Å; Y151-Y166 VanDerWaalsContact CE1-C 3.47Å; Y151-Y166 WeakPolarHBondContact CE1-O 3.13Å; Y151-R167 HydrophobicContact CD1-CB 4.06Å; Y151-R167 HydrophobicContact CD1-CG 4.39Å; Y151-R167 HydrophobicContact CE1-CB 4.47Å |
| 152 | G | 98.2 | Very high | 96 | Very high | 27 Ų | 27 | 85 Ų | 85 | 28% | 0.278 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 168.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y165 | G152-Y165 PolarHBondContact O-N 2.91Å |
| 153 | Q | 98.4 | Very high | 96.3 | Very high | 112 Ų | 112 | 86.4 Ų | 86.4 | 52% | 0.523 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 137 | 173.8 | -177.2 | 172.7 | -64.7 | 0 | 0 | 108.1 | P162 R163 | Q153-P162 HydrophobicContact CG-CB 3.61Å; Q153-P162 HydrophobicContact CG-CG 4.07Å; Q153-R163 CarbonylContact C-O 3.52Å; Q153-R163 VanDerWaalsContact CA-O 3.29Å; Q153-R163 WeakPolarHBondContact CA-O 3.34Å |
| 154 | K | 98.4 | Very high | 96.5 | Very high | 133 Ų | 133 | 81.6 Ų | 81.6 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127.8 | 177.5 | -168.1 | 173.7 | -178.6 | 174.8 | 0 | 109.8 | V156 R163 Y165 | K154-V156 PolarHBondContact O-N 3.27Å; K154-R163 PolarHBondContact N-O 2.91Å; K154-R163 PolarHBondContact O-N 3.36Å; K154-Y165 HydrophobicContact CB-CE2 3.67Å |
| 155 | A | 97.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 81.2 Ų | 81.2 | 74% | 0.736 | 40% | 0.404 | S | S | * | . | trans | -60.7 | 134.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 156 | V | 96.7 | Very high | 97 | Very high | 39 Ų | 39 | 81.5 Ų | 81.5 | 24% | 0.236 | 40% | 0.402 | C | S | . | . | trans | -104.2 | 133.3 | 178.1 | 175.3 | 0 | 0 | 0 | 0 | 109 | K154 T159 R163 | K154-V156 PolarHBondContact O-N 3.27Å; V156-T159 VanDerWaalsContact CB-OG1 3.28Å; V156-T159 WeakPolarHBondContact CB-OG1 3.39Å; V156-T159 HydrophobicContact CG1-CG2 3.9Å; V156-T159 PolarHBondContact O-N 2.58Å; V156-T159 PolarHBondContact O-OG1 2.79Å; V156-R163 HydrophobicContact CG2-CB 3.79Å | ||
| 157 | K | 96.1 | Very high | 97.1 | Very high | 181 Ų | 181 | 83.5 Ų | 83.5 | 79% | 0.787 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 138.7 | -178.9 | -158.3 | -167.2 | 174 | 178.3 | 0 | 109.2 | T159 | K157-T159 VanDerWaalsContact C-N 3.26Å; K157-T159 PolarHBondContact O-N 2.99Å |
| 158 | N | 93.1 | Very high | 97.2 | Very high | 143 Ų | 143 | 78 Ų | 78 | 77% | 0.765 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 20.6 | 177.3 | -51.4 | 92.7 | 0 | 0 | 0 | 114.8 | ||
| 159 | T | 94.1 | Very high | 97.2 | Very high | 42 Ų | 42 | 78 Ų | 78 | 26% | 0.258 | 39% | 0.394 | S | S | . | . | trans | -140.9 | 141.1 | 179.1 | 73 | 0 | 0 | 0 | 0 | 111.2 | V156 K157 F161 A183 | V156-T159 VanDerWaalsContact CB-OG1 3.28Å; V156-T159 WeakPolarHBondContact CB-OG1 3.39Å; V156-T159 HydrophobicContact CG1-CG2 3.9Å; V156-T159 PolarHBondContact O-N 2.58Å; V156-T159 PolarHBondContact O-OG1 2.79Å; K157-T159 VanDerWaalsContact C-N 3.26Å; K157-T159 PolarHBondContact O-N 2.99Å; T159-F161 VanDerWaalsContact C-N 3.27Å; T159-F161 PolarHBondContact OG1-O 3.42Å; T159-A183 HydrophobicContact CG2-CB 3.45Å; T159-A183 VanDerWaalsContact CG2-CB 3.45Å | ||
| 160 | A | 95 | Very high | 97.1 | Very high | 94 Ų | 94 | 72.7 Ų | 72.7 | 78% | 0.777 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -75.1 | -16.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 161 | F | 95.5 | Very high | 96.9 | Very high | 62 Ų | 62 | 75.9 Ų | 75.9 | 27% | 0.272 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -96.9 | 116 | -174.7 | -54.6 | -73.6 | 0 | 0 | 0 | 111.2 | T159 Q180 R181 T186 | T159-F161 VanDerWaalsContact C-N 3.27Å; T159-F161 PolarHBondContact OG1-O 3.42Å; F161-Q180 PolarHBondContact O-NE2 2.97Å; F161-R181 HydrophobicContact CB-CB 3.89Å; F161-R181 HydrophobicContact CD1-CB 4.27Å; F161-R181 HydrophobicContact CD1-CG 4.38Å; F161-R181 HydrophobicContact CD2-CB 4.31Å; F161-R181 HydrophobicContact CD2-CG 4.23Å; F161-R181 HydrophobicContact CG-CB 3.88Å; F161-R181 HydrophobicContact CG-CG 4.15Å; F161-T186 HydrophobicContact CE2-CG2 3.58Å; F161-T186 HydrophobicContact CZ-CG2 3.69Å |
| 162 | P | 97.2 | Very high | 96.8 | Very high | 43 Ų | 43 | 74.4 Ų | 74.4 | 28% | 0.279 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 155.2 | 179.8 | 31.8 | -35.7 | 0 | 0 | 0 | 111.9 | Q153 | Q153-P162 HydrophobicContact CG-CB 3.61Å; Q153-P162 HydrophobicContact CG-CG 4.07Å |
| 163 | R | 97.9 | Very high | 96.8 | Very high | 80 Ų | 80 | 73.9 Ų | 73.9 | 30% | 0.302 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 121.4 | 170.1 | -167.4 | 170 | -61.9 | 171.7 | 4.3 | 110 | Q153 K154 V156 Y165 Q178 Q180 | Q153-R163 CarbonylContact C-O 3.52Å; Q153-R163 VanDerWaalsContact CA-O 3.29Å; Q153-R163 WeakPolarHBondContact CA-O 3.34Å; K154-R163 PolarHBondContact N-O 2.91Å; K154-R163 PolarHBondContact O-N 3.36Å; V156-R163 HydrophobicContact CG2-CB 3.79Å; R163-Y165 HydrophobicContact CB-CE2 4.01Å; R163-Y165 WeakPolarHBondContact CD-OH 3.31Å; R163-Y165 HydrophobicContact CG-CD2 4.42Å; R163-Y165 HydrophobicContact CG-CE2 3.85Å; R163-Q178 HydrophobicContact CG-CB 4.49Å; R163-Q180 HydrophobicContact CG-CB 4.4Å |
| 164 | S | 98.4 | Very high | 96.7 | Very high | 10 Ų | 10 | 72.9 Ų | 72.9 | 7% | 0.07 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 141.3 | 174.4 | -70.2 | 0 | 0 | 0 | 0 | 111.1 | K150 Y166 Q178 V179 | K150-S164 PolarHBondContact NZ-OG 2.86Å; S164-Y166 VanDerWaalsContact CB-CE2 3.46Å; S164-Q178 WeakPolarHBondContact O-CA 3.47Å; S164-V179 PolarHBondContact N-O 3Å; S164-V179 PolarHBondContact O-N 3.41Å |
| 165 | Y | 98.5 | Very high | 96.7 | Very high | 37 Ų | 37 | 66.6 Ų | 66.6 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 131.3 | -178.4 | -65.1 | -100.1 | 0 | 0 | 0 | 111.3 | K150 Y151 G152 K154 R163 Q178 | K150-Y165 WeakPolarHBondContact CA-O 3.49Å; Y151-Y165 WeakPolarHBondContact CD1-O 3.15Å; Y151-Y165 HydrophobicContact CE2-CG 4.43Å; Y151-Y165 VanDerWaalsContact CZ-CB 3.41Å; Y151-Y165 PolarHBondContact N-O 2.96Å; Y151-Y165 WeakPolarHBondContact OH-CD1 3.3Å; G152-Y165 PolarHBondContact O-N 2.91Å; K154-Y165 HydrophobicContact CB-CE2 3.67Å; R163-Y165 HydrophobicContact CB-CE2 4.01Å; R163-Y165 WeakPolarHBondContact CD-OH 3.31Å; R163-Y165 HydrophobicContact CG-CD2 4.42Å; R163-Y165 HydrophobicContact CG-CE2 3.85Å; Y165-Q178 HydrophobicContact CD1-CG 3.72Å; Y165-Q178 HydrophobicContact CE1-CG 3.8Å |
| 166 | Y | 98.5 | Very high | 96.7 | Very high | 18 Ų | 18 | 66.4 Ų | 66.4 | 7% | 0.071 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.8 | -174.6 | -59.3 | -96.5 | 0 | 0 | 0 | 111.6 | I141 W148 R149 K150 Y151 S164 K176 K177 V179 | I141-Y166 WeakPolarHBondContact CD1-OH 3.44Å; W148-Y166 HydrophobicContact CB-CD1 4.1Å; W148-Y166 HydrophobicContact CB-CG 4.49Å; R149-Y166 WeakPolarHBondContact O-CA 3.48Å; K150-Y166 HydrophobicContact CB-CD1 3.97Å; K150-Y166 HydrophobicContact CB-CE1 3.82Å; K150-Y166 HydrophobicContact CD-CE1 4.45Å; K150-Y166 HydrophobicContact CG-CD1 4.49Å; K150-Y166 HydrophobicContact CG-CE1 4.17Å; Y151-Y166 VanDerWaalsContact CD1-C 3.47Å; Y151-Y166 VanDerWaalsContact CE1-C 3.47Å; Y151-Y166 WeakPolarHBondContact CE1-O 3.13Å; S164-Y166 VanDerWaalsContact CB-CE2 3.46Å; Y166-K176 WeakPolarHBondContact O-CA 3.4Å; Y166-K177 HydrophobicContact CD2-CG 4.18Å; Y166-K177 HydrophobicContact CG-CG 4.28Å; Y166-K177 PolarHBondContact N-O 3.15Å; Y166-K177 PolarHBondContact O-N 3.3Å; Y166-V179 HydrophobicContact CD2-CG2 4.05Å; Y166-V179 HydrophobicContact CE2-CB 4.12Å; Y166-V179 HydrophobicContact CE2-CG2 3.77Å |
| 167 | R | 98 | Very high | 96.7 | Very high | 111 Ų | 111 | 65 Ų | 65 | 42% | 0.419 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 148.9 | 171 | 67.6 | -178.2 | -170.7 | -84.3 | 9.4 | 109.5 | R149 Y151 | R149-R167 HydrophobicContact CB-CG 4.38Å; R149-R167 PolarHBondContact N-O 2.99Å; R149-R167 PolarHBondContact O-N 2.85Å; Y151-R167 HydrophobicContact CD1-CB 4.06Å; Y151-R167 HydrophobicContact CD1-CG 4.39Å; Y151-R167 HydrophobicContact CE1-CB 4.47Å |
| 168 | C | 97.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 58.7 Ų | 58.7 | 5% | 0.047 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 144.5 | 168.9 | -168.3 | 0 | 0 | 0 | 0 | 110 | W148 C173 V175 H199 | W148-C168 HydrophobicContact CZ3-CB 4.49Å; C168-C173 HydrophobicContact CB-CB 3.96Å; C168-C173 VanDerWaalsContact CB-SG 3.59Å; C168-C173 VanDerWaalsContact SG-SG 3.68Å; C168-V175 HydrophobicContact CB-CB 4.45Å; C168-V175 PolarHBondContact N-O 3.02Å; C168-H199 PolarHBondContact SG-NE2 2.94Å |
| 169 | T | 97.1 | Very high | 97 | Very high | 44 Ų | 44 | 52.2 Ų | 52.2 | 27% | 0.27 | 27% | 0.269 | S | S | . | . | trans | -86.2 | -13.4 | 177.7 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | R147 R149 H171 | R147-T169 VanDerWaalsContact CB-OG1 3.27Å; R147-T169 WeakPolarHBondContact CB-OG1 3.4Å; R147-T169 HydrophobicContact CG-CG2 4.14Å; R147-T169 WeakPolarHBondContact CG-OG1 3.29Å; R147-T169 PolarHBondContact NE-OG1 2.63Å; R147-T169 PolarHBondContact NH2-OG1 3.49Å; R147-T169 WeakPolarHBondContact O-CG2 3.22Å; R147-T169 PolarHBondContact O-N 3.42Å; R147-T169 PolarHBondContact O-OG1 2.72Å; R149-T169 HydrophobicContact CB-CG2 3.75Å; R149-T169 HydrophobicContact CG-CG2 4.43Å; T169-H171 PolarHBondContact O-N 2.83Å | ||
| 170 | H | 96.8 | Very high | 97.2 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 22% | 0.218 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -68 | 131.7 | 179.4 | -168.4 | -85.7 | 0 | 0 | 0 | 110.4 | T172 C173 H199 | H170-T172 VanDerWaalsContact C-N 3.3Å; H170-T172 PolarHBondContact CE1-OG1 2.99Å; H170-T172 PolarHBondContact ND1-OG1 3.09Å; H170-T172 PolarHBondContact O-N 3.25Å; H170-C173 HydrophobicContact CB-CB 3.77Å; H170-C173 WeakPolarHBondContact O-CB 3.37Å; H170-C173 PolarHBondContact O-N 3.18Å; H170-H199 WeakPolarHBondContact CB-NE2 3.36Å; H170-H199 AromaticContact CD2-CG 3.72Å; H170-H199 AromaticContact CG-CD2 3.51Å; H170-H199 AromaticContact CG-CG 3.58Å; H170-H199 AromaticContact CG-NE2 3.97Å; H170-H199 AromaticContact ND1-CD2 3.77Å; H170-H199 AromaticContact ND1-CG 3.95Å |
| 171 | H | 94.7 | Very high | 97.3 | Very high | 166 Ų | 166 | 47.7 Ų | 47.7 | 77% | 0.769 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -33.9 | -167.1 | 59.4 | -79.7 | 0 | 0 | 0 | 114.4 | T169 | T169-H171 PolarHBondContact O-N 2.83Š|
| 172 | T | 95.6 | Very high | 97.3 | Very high | 77 Ų | 77 | 47.3 Ų | 47.3 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 1.6 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 114.4 | H170 N198 | H170-T172 VanDerWaalsContact C-N 3.3Å; H170-T172 PolarHBondContact CE1-OG1 2.99Å; H170-T172 PolarHBondContact ND1-OG1 3.09Å; H170-T172 PolarHBondContact O-N 3.25Å; T172-N198 PolarHBondContact O-ND2 3.46Å |
| 173 | C | 97 | Very high | 97.2 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 11% | 0.108 | 23% | 0.234 | C | C | . | . | trans | -101.5 | 124.8 | -169.6 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | C168 H170 V175 H197 H199 | C168-C173 HydrophobicContact CB-CB 3.96Å; C168-C173 VanDerWaalsContact CB-SG 3.59Å; C168-C173 VanDerWaalsContact SG-SG 3.68Å; H170-C173 HydrophobicContact CB-CB 3.77Å; H170-C173 WeakPolarHBondContact O-CB 3.37Å; H170-C173 PolarHBondContact O-N 3.18Å; C173-V175 VanDerWaalsContact SG-CG2 3.58Å; C173-H197 PolarHBondContact SG-ND1 2.85Å; C173-H197 VanDerWaalsContact SG-ND1 3.41Å; C173-H199 PolarHBondContact SG-NE2 3.16Å; C173-H199 VanDerWaalsContact SG-NE2 3.38Å | ||
| 174 | D | 96.6 | Very high | 97 | Very high | 91 Ų | 91 | 53.2 Ų | 53.2 | 49% | 0.487 | 26% | 0.261 | S | S | . | . | trans | -103.1 | 11.2 | -176.7 | 74.9 | -25 | 0 | 0 | 0 | 113.4 | R128 | R128-D174 IonicContact CZ-OD2 3.61Å; R128-D174 IonicContact NE-OD2 2.72Å; R128-D174 PolarHBondContact NH2-O 3.07Å; R128-D174 IonicContact NH2-OD1 3.57Å; R128-D174 IonicContact NH2-OD2 2.72Å; R128-D174 PolarHBondContact NH2-OD2 2.73Å | ||
| 175 | V | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | trans | -67.6 | 134.9 | -179.7 | -176.2 | 0 | 0 | 0 | 0 | 110.7 | W148 C168 C173 E194 V196 H197 | W148-V175 HydrophobicContact CH2-CB 4.5Å; W148-V175 HydrophobicContact CH2-CG1 3.76Å; W148-V175 HydrophobicContact CZ3-CG1 4.21Å; C168-V175 HydrophobicContact CB-CB 4.45Å; C168-V175 PolarHBondContact N-O 3.02Å; C173-V175 VanDerWaalsContact SG-CG2 3.58Å; V175-E194 WeakPolarHBondContact CA-O 3.34Å; V175-V196 WeakPolarHBondContact CG2-O 3.41Å; V175-H197 HydrophobicContact CG2-CB 4.45Å | ||
| 176 | K | 97.8 | Very high | 96.7 | Very high | 86 Ų | 86 | 58.9 Ų | 58.9 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.3 | 177.2 | -62.6 | 173 | -172 | 172 | 0 | 109.5 | Y166 Y193 E194 | Y166-K176 WeakPolarHBondContact O-CA 3.4Å; K176-Y193 CarbonylContact O-C 3.56Å; K176-Y193 WeakPolarHBondContact O-CA 3.43Å; K176-E194 PolarHBondContact N-O 2.95Å; K176-E194 PolarHBondContact O-N 3.45Å |
| 177 | K | 97.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.035 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 149.1 | 167.6 | 74.7 | 177.2 | -179.7 | -172.7 | 0 | 112.9 | D144 W148 Y166 T191 T192 Y193 | D144-K177 IonicContact OD1-NZ 2.79Å; D144-K177 IonicContact OD2-NZ 3.64Å; D144-K177 PolarHBondContact OD2-NZ 3.06Å; W148-K177 HydrophobicContact CD2-CD 3.69Å; W148-K177 HydrophobicContact CD2-CG 4.02Å; W148-K177 VanDerWaalsContact CE2-CE 3.49Å; W148-K177 HydrophobicContact CE3-CB 4.45Å; W148-K177 HydrophobicContact CE3-CD 3.88Å; W148-K177 HydrophobicContact CE3-CG 3.67Å; W148-K177 HydrophobicContact CG-CD 4.31Å; W148-K177 VanDerWaalsContact CG-CE 3.41Å; W148-K177 HydrophobicContact CH2-CB 4.16Å; W148-K177 HydrophobicContact CH2-CD 4Å; W148-K177 HydrophobicContact CH2-CG 4.08Å; W148-K177 HydrophobicContact CZ2-CD 3.84Å; W148-K177 HydrophobicContact CZ2-CG 4.42Å; W148-K177 HydrophobicContact CZ3-CB 3.98Å; W148-K177 HydrophobicContact CZ3-CD 4.02Å; W148-K177 HydrophobicContact CZ3-CG 3.69Å; Y166-K177 HydrophobicContact CD2-CG 4.18Å; Y166-K177 HydrophobicContact CG-CG 4.28Å; Y166-K177 PolarHBondContact N-O 3.15Å; Y166-K177 PolarHBondContact O-N 3.3Å; K177-T191 HydrophobicContact CD-CG2 4.29Å; K177-T192 CarbonylContact C-O 3.5Å; K177-T192 WeakPolarHBondContact CA-O 3.4Å; K177-T192 WeakPolarHBondContact CB-O 3.46Å; K177-Y193 HydrophobicContact CB-CD1 3.75Å; K177-Y193 HydrophobicContact CB-CE1 3.91Å; K177-Y193 HydrophobicContact CB-CG 4.16Å; K177-Y193 HydrophobicContact CD-CD1 4.33Å; K177-Y193 HydrophobicContact CD-CE1 3.61Å; K177-Y193 HydrophobicContact CG-CE1 4.36Å |
| 178 | Q | 97.9 | Very high | 96.5 | Very high | 50 Ų | 50 | 56.4 Ų | 56.4 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 135.2 | 174.1 | -54.2 | -178.9 | 8.4 | 0 | 0 | 108.2 | R163 S164 Y165 T191 T192 | R163-Q178 HydrophobicContact CG-CB 4.49Å; S164-Q178 WeakPolarHBondContact O-CA 3.47Å; Y165-Q178 HydrophobicContact CD1-CG 3.72Å; Y165-Q178 HydrophobicContact CE1-CG 3.8Å; Q178-T191 WeakPolarHBondContact O-CA 3.42Å; Q178-T192 PolarHBondContact N-O 2.99Å; Q178-T192 PolarHBondContact O-N 3.15Å |
| 179 | V | 98.1 | Very high | 96.5 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 128.2 | 178.7 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | D140 S164 Y166 V189 T191 | D140-V179 HydrophobicContact CB-CG1 4.12Å; D140-V179 WeakPolarHBondContact O-CG1 3.46Å; S164-V179 PolarHBondContact N-O 3Å; S164-V179 PolarHBondContact O-N 3.41Å; Y166-V179 HydrophobicContact CD2-CG2 4.05Å; Y166-V179 HydrophobicContact CE2-CB 4.12Å; Y166-V179 HydrophobicContact CE2-CG2 3.77Å; V179-V189 HydrophobicContact CG1-CG1 3.65Å; V179-T191 HydrophobicContact CG2-CG2 4.22Å |
| 180 | Q | 97.5 | Very high | 96.5 | Very high | 19 Ų | 19 | 55.5 Ų | 55.5 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 123.1 | -179.9 | 178.3 | 64.2 | 63.9 | 0 | 0 | 110.7 | F161 R163 V190 | F161-Q180 PolarHBondContact O-NE2 2.97Å; R163-Q180 HydrophobicContact CG-CB 4.4Å; Q180-V190 PolarHBondContact N-O 3.36Å; Q180-V190 PolarHBondContact O-N 3.14Å |
| 181 | R | 97.4 | Very high | 96.5 | Very high | 22 Ų | 22 | 53.4 Ų | 53.4 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 136.2 | 166.5 | -170.2 | 169.5 | -63.3 | -91.2 | 1 | 110.9 | S137 E138 N139 D140 F161 T186 I188 | S137-R181 PolarHBondContact O-NH1 3.47Å; E138-R181 PolarHBondContact O-NH2 2.87Å; N139-R181 VanDerWaalsContact C-NH2 3.32Å; D140-R181 IonicContact OD1-CZ 3.08Å; D140-R181 IonicContact OD1-NE 2.82Å; D140-R181 PolarHBondContact OD1-NE 2.94Å; D140-R181 IonicContact OD1-NH2 2.64Å; D140-R181 PolarHBondContact OD1-NH2 2.91Å; F161-R181 HydrophobicContact CB-CB 3.89Å; F161-R181 HydrophobicContact CD1-CB 4.27Å; F161-R181 HydrophobicContact CD1-CG 4.38Å; F161-R181 HydrophobicContact CD2-CB 4.31Å; F161-R181 HydrophobicContact CD2-CG 4.23Å; F161-R181 HydrophobicContact CG-CB 3.88Å; F161-R181 HydrophobicContact CG-CG 4.15Å; R181-T186 WeakPolarHBondContact CD-O 3.45Å; R181-T186 WeakPolarHBondContact CG-O 3.41Å; R181-T186 PolarHBondContact NH1-O 3.48Å; R181-I188 WeakPolarHBondContact CA-O 3.48Å |
| 182 | L | 95.5 | Very high | 96.7 | Very high | 54 Ų | 54 | 46.8 Ų | 46.8 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | trans | -70 | 139.6 | 175.4 | -67.1 | -175.2 | 0 | 0 | 0 | 110.2 | D185 I188 V190 | L182-D185 CarbonylContact O-C 3.44Å; L182-I188 HydrophobicContact CB-CB 4.48Å; L182-I188 HydrophobicContact CD1-CB 3.93Å; L182-I188 HydrophobicContact CD1-CD1 4.38Å; L182-I188 HydrophobicContact CD1-CG2 3.62Å; L182-I188 HydrophobicContact CG-CB 4.27Å; L182-I188 HydrophobicContact CG-CG2 4.06Å; L182-I188 PolarHBondContact N-O 2.95Å; L182-V190 HydrophobicContact CD1-CG2 4.38Å; L182-V190 HydrophobicContact CD2-CG2 3.58Å; L182-V190 HydrophobicContact CG-CG2 3.87Å | ||
| 183 | A | 94.5 | Very high | 96.8 | Very high | 48 Ų | 48 | 43.8 Ų | 43.8 | 40% | 0.397 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -78.4 | -28 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T159 | T159-A183 HydrophobicContact CG2-CB 3.45Å; T159-A183 VanDerWaalsContact CG2-CB 3.45Å |
| 184 | K | 94.1 | Very high | 96.7 | Very high | 199 Ų | 199 | 45.5 Ų | 45.5 | 87% | 0.865 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -72.1 | -48.5 | 176.3 | -65.2 | -174.6 | 178.1 | -176 | 0 | 110.7 | ||
| 185 | D | 95 | Very high | 96.7 | Very high | 85 Ų | 85 | 41.5 Ų | 41.5 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | trans | -120.8 | 96 | -177.9 | -59.9 | -27.6 | 0 | 0 | 0 | 109.2 | L182 S187 I188 | L182-D185 CarbonylContact O-C 3.44Å; D185-S187 PolarHBondContact O-N 3.49Å; D185-S187 VanDerWaalsContact O-N 3.11Å; D185-I188 HydrophobicContact CB-CB 4.37Å; D185-I188 HydrophobicContact CB-CD1 3.83Å; D185-I188 HydrophobicContact CB-CG1 4.02Å; D185-I188 PolarHBondContact O-N 2.72Å | ||
| 186 | T | 95.4 | Very high | 96.6 | Very high | 80 Ų | 80 | 46.5 Ų | 46.5 | 49% | 0.491 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.8 | -177.5 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | F161 R181 I188 | F161-T186 HydrophobicContact CE2-CG2 3.58Å; F161-T186 HydrophobicContact CZ-CG2 3.69Å; R181-T186 WeakPolarHBondContact CD-O 3.45Å; R181-T186 WeakPolarHBondContact CG-O 3.41Å; R181-T186 PolarHBondContact NH1-O 3.48Å; T186-I188 VanDerWaalsContact C-N 3.29Å |
| 187 | S | 95.9 | Very high | 96.5 | Very high | 61 Ų | 61 | 44 Ų | 44 | 43% | 0.427 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.7 | 173.3 | 60.7 | 0 | 0 | 0 | 0 | 113.4 | R136 S137 D185 | R136-S187 CarbonylContact C-O 3.53Å; R136-S187 VanDerWaalsContact CA-O 3.26Å; R136-S187 WeakPolarHBondContact CA-O 3.49Å; S137-S187 PolarHBondContact N-O 2.95Å; D185-S187 PolarHBondContact O-N 3.49Å; D185-S187 VanDerWaalsContact O-N 3.11Å |
| 188 | I | 96.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 48.1 Ų | 48.1 | 9% | 0.087 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.2 | -174.7 | -60 | 178.7 | 0 | 0 | 0 | 110.9 | Q134 T135 R136 R181 L182 D185 T186 | Q134-I188 HydrophobicContact CB-CG2 3.84Å; Q134-I188 HydrophobicContact CG-CG2 4.05Å; T135-I188 WeakPolarHBondContact O-CA 3.43Å; R136-I188 HydrophobicContact CG-CG1 4.29Å; R181-I188 WeakPolarHBondContact CA-O 3.48Å; L182-I188 HydrophobicContact CB-CB 4.48Å; L182-I188 HydrophobicContact CD1-CB 3.93Å; L182-I188 HydrophobicContact CD1-CD1 4.38Å; L182-I188 HydrophobicContact CD1-CG2 3.62Å; L182-I188 HydrophobicContact CG-CB 4.27Å; L182-I188 HydrophobicContact CG-CG2 4.06Å; L182-I188 PolarHBondContact N-O 2.95Å; D185-I188 HydrophobicContact CB-CB 4.37Å; D185-I188 HydrophobicContact CB-CD1 3.83Å; D185-I188 HydrophobicContact CB-CG1 4.02Å; D185-I188 PolarHBondContact O-N 2.72Å; T186-I188 VanDerWaalsContact C-N 3.29Å |
| 189 | V | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 122.4 | 172.5 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | T135 V179 | T135-V189 PolarHBondContact N-O 3.27Å; T135-V189 PolarHBondContact O-N 2.96Å; V179-V189 HydrophobicContact CG1-CG1 3.65Å |
| 190 | V | 97 | Very high | 96 | Very high | 31 Ų | 31 | 50.3 Ų | 50.3 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 120.8 | 172.2 | -175.2 | 0 | 0 | 0 | 0 | 108.4 | F133 Q134 Q180 L182 | F133-V190 WeakPolarHBondContact O-CA 3.35Å; Q134-V190 HydrophobicContact CG-CG2 4.14Å; Q180-V190 PolarHBondContact N-O 3.36Å; Q180-V190 PolarHBondContact O-N 3.14Å; L182-V190 HydrophobicContact CD1-CG2 4.38Å; L182-V190 HydrophobicContact CD2-CG2 3.58Å; L182-V190 HydrophobicContact CG-CG2 3.87Å |
| 191 | T | 97.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 125.8 | 171.2 | -51.7 | 0 | 0 | 0 | 0 | 109.2 | A132 F133 K177 Q178 V179 Y193 | A132-T191 VanDerWaalsContact CA-O 3.25Å; A132-T191 WeakPolarHBondContact CA-O 3.44Å; F133-T191 HydrophobicContact CZ-CG2 4.32Å; F133-T191 PolarHBondContact N-O 2.64Å; F133-T191 PolarHBondContact O-N 3.26Å; K177-T191 HydrophobicContact CD-CG2 4.29Å; Q178-T191 WeakPolarHBondContact O-CA 3.42Å; V179-T191 HydrophobicContact CG2-CG2 4.22Å; T191-Y193 HydrophobicContact CG2-CD2 3.95Å; T191-Y193 HydrophobicContact CG2-CE2 3.23Å |
| 192 | T | 97.4 | Very high | 95.4 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 16% | 0.16 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 127.3 | 177.6 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | R130 F131 A132 K177 Q178 | R130-T192 HydrophobicContact CG-CG2 3.74Å; F131-T192 CarbonylContact O-C 3.5Å; F131-T192 WeakPolarHBondContact O-CA 3.49Å; A132-T192 HydrophobicContact CB-CG2 4.14Å; A132-T192 WeakPolarHBondContact CB-OG1 3.49Å; K177-T192 CarbonylContact C-O 3.5Å; K177-T192 WeakPolarHBondContact CA-O 3.4Å; K177-T192 WeakPolarHBondContact CB-O 3.46Å; Q178-T192 PolarHBondContact N-O 2.99Å; Q178-T192 PolarHBondContact O-N 3.15Å |
| 193 | Y | 97.4 | Very high | 95 | Very high | 14 Ų | 14 | 55 Ų | 55 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 148.8 | 176.9 | -66.7 | -101.6 | 0 | 0 | 0 | 110.5 | R130 F131 F133 D144 W148 K176 K177 T191 | R130-Y193 VanDerWaalsContact CA-O 3.31Å; R130-Y193 WeakPolarHBondContact CA-O 3.34Å; R130-Y193 VanDerWaalsContact CG-O 3.3Å; R130-Y193 WeakPolarHBondContact CG-O 3.27Å; F131-Y193 AromaticContact CD2-CD2 3.82Å; F131-Y193 HydrophobicContact CD2-CD2 3.82Å; F131-Y193 HydrophobicContact CD2-CG 4.15Å; F131-Y193 HydrophobicContact CE1-CG 4.15Å; F131-Y193 HydrophobicContact CE2-CD1 4.25Å; F131-Y193 AromaticContact CE2-CD2 3.22Å; F131-Y193 HydrophobicContact CE2-CD2 3.22Å; F131-Y193 HydrophobicContact CE2-CE2 4.05Å; F131-Y193 AromaticContact CE2-CG 3.36Å; F131-Y193 HydrophobicContact CE2-CG 3.36Å; F131-Y193 AromaticContact CZ-CD1 3.99Å; F131-Y193 HydrophobicContact CZ-CD1 3.99Å; F131-Y193 AromaticContact CZ-CD2 3.79Å; F131-Y193 HydrophobicContact CZ-CD2 3.79Å; F131-Y193 AromaticContact CZ-CG 3.38Å; F131-Y193 HydrophobicContact CZ-CG 3.38Å; F131-Y193 PolarHBondContact N-O 3.35Å; F131-Y193 PolarHBondContact O-N 3.48Å; F133-Y193 HydrophobicContact CD1-CE2 4.43Å; F133-Y193 AromaticContact CE1-CD2 3.8Å; F133-Y193 HydrophobicContact CE1-CD2 3.8Å; F133-Y193 AromaticContact CE1-CE2 3.32Å; F133-Y193 HydrophobicContact CE1-CE2 3.32Å; F133-Y193 HydrophobicContact CZ-CD2 4.45Å; F133-Y193 AromaticContact CZ-CE2 3.55Å; F133-Y193 HydrophobicContact CZ-CE2 3.55Å; D144-Y193 PolarHBondContact OD2-OH 3.27Å; W148-Y193 AromaticContact CH2-CD1 3.82Å; W148-Y193 HydrophobicContact CH2-CD1 3.82Å; W148-Y193 AromaticContact CH2-CE1 3.73Å; W148-Y193 HydrophobicContact CH2-CE1 3.73Å; W148-Y193 HydrophobicContact CZ2-CD1 4.08Å; W148-Y193 AromaticContact CZ2-CE1 3.52Å; W148-Y193 HydrophobicContact CZ2-CE1 3.52Å; K176-Y193 CarbonylContact O-C 3.56Å; K176-Y193 WeakPolarHBondContact O-CA 3.43Å; K177-Y193 HydrophobicContact CB-CD1 3.75Å; K177-Y193 HydrophobicContact CB-CE1 3.91Å; K177-Y193 HydrophobicContact CB-CG 4.16Å; K177-Y193 HydrophobicContact CD-CD1 4.33Å; K177-Y193 HydrophobicContact CD-CE1 3.61Å; K177-Y193 HydrophobicContact CG-CE1 4.36Å; T191-Y193 HydrophobicContact CG2-CD2 3.95Å; T191-Y193 HydrophobicContact CG2-CE2 3.23Å |
| 194 | E | 96.8 | Very high | 94.8 | Very high | 53 Ų | 53 | 57.3 Ų | 57.3 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 122.6 | 178.7 | -170.3 | -170.1 | 157.9 | 0 | 0 | 109.7 | R128 P129 V175 K176 | R128-E194 HydrophobicContact CB-CG 4.16Å; R128-E194 WeakPolarHBondContact CD-OE1 3.47Å; R128-E194 IonicContact CZ-OE1 2.63Å; R128-E194 IonicContact NE-OE1 3.86Å; R128-E194 IonicContact NH1-OE1 3.92Å; R128-E194 PolarHBondContact NH1-OE1 3.46Å; R128-E194 IonicContact NH1-OE2 3.85Å; P129-E194 WeakPolarHBondContact O-CA 3.41Å; V175-E194 WeakPolarHBondContact CA-O 3.34Å; K176-E194 PolarHBondContact N-O 2.95Å; K176-E194 PolarHBondContact O-N 3.45Å |
| 195 | G | 95.5 | Very high | 94.5 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 7% | 0.072 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 98.6 | -175.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.4 | P129 | P129-G195 PolarHBondContact O-N 3.44Š|
| 196 | V | 95.6 | Very high | 94.3 | Very high | 105 Ų | 105 | 54.3 Ų | 54.3 | 64% | 0.636 | 29% | 0.293 | S | S | * | . | trans | -131.4 | 134.5 | 178.9 | -180 | 0 | 0 | 0 | 0 | 108.4 | V175 | V175-V196 WeakPolarHBondContact CG2-O 3.41Š| ||
| 197 | H | 96.4 | Very high | 94.1 | Very high | 33 Ų | 33 | 53.7 Ų | 53.7 | 15% | 0.153 | 30% | 0.296 | C | S | . | . | trans | -68 | 134.1 | 178.1 | -72.8 | -85.7 | 0 | 0 | 0 | 110.3 | Y146 W148 C173 V175 H199 | Y146-H197 AromaticContact CD1-CE1 3.58Å; Y146-H197 AromaticContact CD1-CG 3.81Å; Y146-H197 AromaticContact CD1-ND1 3.52Å; Y146-H197 AromaticContact CD1-NE2 3.9Å; Y146-H197 AromaticContact CD2-CD2 3.98Å; Y146-H197 AromaticContact CD2-NE2 3.73Å; Y146-H197 HydrophobicContact CE1-CB 3.71Å; Y146-H197 AromaticContact CE1-CD2 3.68Å; Y146-H197 AromaticContact CE1-CE1 3.98Å; Y146-H197 AromaticContact CE1-CG 3.38Å; Y146-H197 AromaticContact CE1-ND1 3.58Å; Y146-H197 AromaticContact CE2-CD2 3.65Å; Y146-H197 AromaticContact CE2-NE2 3.9Å; Y146-H197 AromaticContact CG-CE1 3.67Å; Y146-H197 AromaticContact CG-NE2 3.71Å; Y146-H197 AromaticContact CZ-CD2 3.47Å; Y146-H197 VanDerWaalsContact CZ-CD2 3.47Å; Y146-H197 AromaticContact CZ-CG 3.61Å; W148-H197 AromaticContact CH2-CE1 3.7Å; W148-H197 AromaticContact CH2-NE2 3.51Å; W148-H197 AromaticContact CZ2-CE1 3.84Å; W148-H197 AromaticContact CZ2-NE2 3.59Å; C173-H197 PolarHBondContact SG-ND1 2.85Å; C173-H197 VanDerWaalsContact SG-ND1 3.41Å; V175-H197 HydrophobicContact CG2-CB 4.45Å; H197-H199 AromaticContact ND1-CE1 3.72Å; H197-H199 AromaticContact ND1-NE2 3.15Å; H197-H199 PolarHBondContact ND1-NE2 2.85Å; H197-H199 VanDerWaalsContact ND1-NE2 3.15Å | ||
| 198 | N | 95.3 | Very high | 93.9 | Very high | 95 Ų | 95 | 54 Ų | 54 | 51% | 0.508 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -104.2 | 20 | 177.1 | 62.1 | -2.2 | 0 | 0 | 0 | 112.8 | T172 | T172-N198 PolarHBondContact O-ND2 3.46Š|
| 199 | H | 95.1 | Very high | 93.7 | Very high | 20 Ų | 20 | 55.2 Ų | 55.2 | 9% | 0.093 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -143.4 | 153.5 | 179.3 | 63.2 | 90.8 | 0 | 0 | 0 | 108.6 | Y146 C168 H170 C173 H197 | Y146-H199 AromaticContact CD1-CE1 3.7Å; C168-H199 PolarHBondContact SG-NE2 2.94Å; H170-H199 WeakPolarHBondContact CB-NE2 3.36Å; H170-H199 AromaticContact CD2-CG 3.72Å; H170-H199 AromaticContact CG-CD2 3.51Å; H170-H199 AromaticContact CG-CG 3.58Å; H170-H199 AromaticContact CG-NE2 3.97Å; H170-H199 AromaticContact ND1-CD2 3.77Å; H170-H199 AromaticContact ND1-CG 3.95Å; C173-H199 PolarHBondContact SG-NE2 3.16Å; C173-H199 VanDerWaalsContact SG-NE2 3.38Å; H197-H199 AromaticContact ND1-CE1 3.72Å; H197-H199 AromaticContact ND1-NE2 3.15Å; H197-H199 PolarHBondContact ND1-NE2 2.85Å; H197-H199 VanDerWaalsContact ND1-NE2 3.15Å |
| 200 | P | 92.8 | Very high | 93.5 | Very high | 83 Ų | 83 | 59 Ų | 59 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | trans | -65.6 | 156.7 | 178 | 29.5 | -35.8 | 0 | 0 | 0 | 111 | E202 M205 | P200-E202 PolarHBondContact O-N 2.82Å; P200-M205 HydrophobicContact CB-CG 3.54Å; P200-M205 HydrophobicContact CB-SD 3.85Å; P200-M205 HydrophobicContact CG-CG 3.84Å; P200-M205 HydrophobicContact CG-SD 4.26Å | ||
| 201 | C | 93.1 | Very high | 93.4 | Very high | 21 Ų | 21 | 62 Ų | 62 | 14% | 0.142 | 34% | 0.341 | C | S | . | . | trans | -67.3 | 124.2 | 169.3 | 167.6 | 0 | 0 | 0 | 0 | 108.9 | G145 Y146 K203 L204 M205 | G145-C201 VanDerWaalsContact CA-SG 3.55Å; G145-C201 PolarHBondContact O-SG 3.38Å; Y146-C201 HydrophobicContact CE1-CB 4.11Å; C201-K203 PolarHBondContact O-N 3.21Å; C201-L204 HydrophobicContact CB-CB 3.8Å; C201-L204 PolarHBondContact O-N 3.36Å; C201-L204 PolarHBondContact SG-N 2.88Å; C201-M205 WeakPolarHBondContact O-CG 3.27Å; C201-M205 PolarHBondContact O-N 2.91Å | ||
| 202 | E | 88.9 | Confident | 93.2 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 28% | 0.276 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60 | -48 | -175.1 | -62 | -176.5 | 160.2 | 0 | 0 | 110.4 | G145 R147 P200 L204 M205 E206 | G145-E202 PolarHBondContact O-N 3.17Å; R147-E202 IonicContact CZ-OE1 3.12Å; R147-E202 IonicContact CZ-OE2 3.59Å; R147-E202 IonicContact NE-OE2 3.97Å; R147-E202 IonicContact NH1-OE1 2.69Å; R147-E202 PolarHBondContact NH1-OE1 3.19Å; R147-E202 IonicContact NH1-OE2 2.94Å; R147-E202 PolarHBondContact NH1-OE2 2.86Å; R147-E202 IonicContact NH2-OE1 3.25Å; R147-E202 PolarHBondContact NH2-OE1 3.44Å; P200-E202 PolarHBondContact O-N 2.82Å; E202-L204 VanDerWaalsContact C-N 3.32Å; E202-L204 PolarHBondContact O-N 2.92Å; E202-M205 PolarHBondContact O-N 2.93Å; E202-M205 VanDerWaalsContact O-N 3.15Å; E202-E206 WeakPolarHBondContact O-CG 3.49Å; E202-E206 PolarHBondContact O-N 2.98Å |
| 203 | K | 87.2 | Confident | 93 | Very high | 114 Ų | 114 | 71.7 Ų | 71.7 | 50% | 0.496 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.5 | -34.5 | -179.6 | -165.3 | 158.8 | -177.8 | 168.1 | 0 | 113.3 | D143 C201 A207 | D143-K203 IonicContact OD2-NZ 3.87Å; D143-K203 PolarHBondContact OD2-NZ 2.95Å; C201-K203 PolarHBondContact O-N 3.21Å; K203-A207 WeakPolarHBondContact O-CB 3.44Å; K203-A207 PolarHBondContact O-N 3.44Å; K203-A207 VanDerWaalsContact O-N 3.14Å |
| 204 | L | 89.2 | Confident | 92.9 | Very high | 96 Ų | 96 | 76.9 Ų | 76.9 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.1 | -42.3 | 174.5 | -175.7 | 64.4 | 0 | 0 | 0 | 111.1 | C201 E202 E206 A207 L208 | C201-L204 HydrophobicContact CB-CB 3.8Å; C201-L204 PolarHBondContact O-N 3.36Å; C201-L204 PolarHBondContact SG-N 2.88Å; E202-L204 VanDerWaalsContact C-N 3.32Å; E202-L204 PolarHBondContact O-N 2.92Å; L204-E206 VanDerWaalsContact C-N 3.33Å; L204-E206 PolarHBondContact O-N 3.4Å; L204-A207 PolarHBondContact O-N 3.1Å; L204-L208 HydrophobicContact CD1-CD1 3.88Å; L204-L208 HydrophobicContact CD1-CG 4.1Å; L204-L208 HydrophobicContact CD2-CD1 4.44Å; L204-L208 HydrophobicContact CG-CD1 3.81Å; L204-L208 HydrophobicContact CG-CG 4.34Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 VanDerWaalsContact O-CG 3.27Å; L204-L208 WeakPolarHBondContact O-CG 3.39Å; L204-L208 PolarHBondContact O-N 2.93Å |
| 205 | M | 88 | Confident | 92.9 | Very high | 90 Ų | 90 | 79.1 Ų | 79.1 | 44% | 0.443 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 177.3 | -71 | -62.3 | -61.5 | 0 | 0 | 112.1 | P200 C201 E202 L208 S209 | P200-M205 HydrophobicContact CB-CG 3.54Å; P200-M205 HydrophobicContact CB-SD 3.85Å; P200-M205 HydrophobicContact CG-CG 3.84Å; P200-M205 HydrophobicContact CG-SD 4.26Å; C201-M205 WeakPolarHBondContact O-CG 3.27Å; C201-M205 PolarHBondContact O-N 2.91Å; E202-M205 PolarHBondContact O-N 2.93Å; E202-M205 VanDerWaalsContact O-N 3.15Å; M205-L208 PolarHBondContact O-N 3.11Å; M205-S209 WeakPolarHBondContact O-CB 3.42Å; M205-S209 PolarHBondContact O-N 3.42Å |
| 206 | E | 90.5 | Very high | 92.8 | Very high | 131 Ų | 131 | 84.7 Ų | 84.7 | 61% | 0.612 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.9 | -48.4 | 174.9 | -73.3 | 169.8 | -168.1 | 0 | 0 | 111.3 | E202 L204 L208 S209 | E202-E206 WeakPolarHBondContact O-CG 3.49Å; E202-E206 PolarHBondContact O-N 2.98Å; L204-E206 VanDerWaalsContact C-N 3.33Å; L204-E206 PolarHBondContact O-N 3.4Å; E206-L208 PolarHBondContact O-N 2.89Å; E206-S209 PolarHBondContact O-N 2.95Å; E206-S209 PolarHBondContact O-OG 2.94Å |
| 207 | A | 91.4 | Very high | 92.9 | Very high | 67 Ų | 67 | 84.6 Ų | 84.6 | 55% | 0.554 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -66.1 | -35.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K203 L204 P210 | K203-A207 WeakPolarHBondContact O-CB 3.44Å; K203-A207 PolarHBondContact O-N 3.44Å; K203-A207 VanDerWaalsContact O-N 3.14Å; L204-A207 PolarHBondContact O-N 3.1Å; A207-P210 WeakPolarHBondContact O-CD 3.47Å |
| 208 | L | 92.3 | Very high | 92.8 | Very high | 67 Ų | 67 | 86.7 Ų | 86.7 | 35% | 0.351 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -84 | -19.5 | -179.9 | -65.6 | 178.8 | 0 | 0 | 0 | 113.3 | L204 M205 E206 I211 L212 | L204-L208 HydrophobicContact CD1-CD1 3.88Å; L204-L208 HydrophobicContact CD1-CG 4.1Å; L204-L208 HydrophobicContact CD2-CD1 4.44Å; L204-L208 HydrophobicContact CG-CD1 3.81Å; L204-L208 HydrophobicContact CG-CG 4.34Å; L204-L208 WeakPolarHBondContact O-CB 3.33Å; L204-L208 VanDerWaalsContact O-CG 3.27Å; L204-L208 WeakPolarHBondContact O-CG 3.39Å; L204-L208 PolarHBondContact O-N 2.93Å; M205-L208 PolarHBondContact O-N 3.11Å; E206-L208 PolarHBondContact O-N 2.89Å; L208-I211 HydrophobicContact CD2-CD1 4.43Å; L208-I211 PolarHBondContact O-N 2.69Å; L208-I211 VanDerWaalsContact O-N 3.11Å; L208-L212 HydrophobicContact CB-CD1 4.31Å; L208-L212 HydrophobicContact CB-CG 4.48Å; L208-L212 WeakPolarHBondContact O-CG 3.44Å; L208-L212 PolarHBondContact O-N 3.07Å |
| 209 | S | 92.2 | Very high | 92.7 | Very high | 44 Ų | 44 | 85.4 Ų | 85.4 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -54 | -39.6 | -175.9 | 73.2 | 0 | 0 | 0 | 0 | 115 | M205 E206 K213 | M205-S209 WeakPolarHBondContact O-CB 3.42Å; M205-S209 PolarHBondContact O-N 3.42Å; E206-S209 PolarHBondContact O-N 2.95Å; E206-S209 PolarHBondContact O-OG 2.94Å; S209-K213 WeakPolarHBondContact O-CB 3.25Å; S209-K213 VanDerWaalsContact O-CG 3.25Å; S209-K213 WeakPolarHBondContact O-CG 3.48Å; S209-K213 PolarHBondContact O-N 3.21Å; S209-K213 VanDerWaalsContact O-N 3.1Å |
| 210 | P | 94.1 | Very high | 92.6 | Very high | 79 Ų | 79 | 89.6 Ų | 89.6 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69.8 | -40 | 178.7 | -16.7 | 33.4 | 0 | 0 | 0 | 111.5 | A207 K213 Q214 | A207-P210 WeakPolarHBondContact O-CD 3.47Å; P210-K213 PolarHBondContact O-N 3.25Å; P210-Q214 PolarHBondContact O-N 2.88Å |
| 211 | I | 94.5 | Very high | 92.6 | Very high | 95 Ų | 95 | 90.4 Ų | 90.4 | 49% | 0.487 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -46.1 | -179.9 | -60.5 | 172.8 | 0 | 0 | 0 | 109.7 | L208 K213 Q214 L215 | L208-I211 HydrophobicContact CD2-CD1 4.43Å; L208-I211 PolarHBondContact O-N 2.69Å; L208-I211 VanDerWaalsContact O-N 3.11Å; I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 3.2Å; I211-Q214 PolarHBondContact O-N 3.29Å; I211-L215 HydrophobicContact CG2-CD1 4.19Å; I211-L215 WeakPolarHBondContact O-CG 3.4Å; I211-L215 PolarHBondContact O-N 3.48Å |
| 212 | L | 92.8 | Very high | 92.5 | Very high | 89 Ų | 89 | 95.3 Ų | 95.3 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 177.9 | -66.9 | 177.1 | 0 | 0 | 0 | 111.9 | L208 L215 Q216 | L208-L212 HydrophobicContact CB-CD1 4.31Å; L208-L212 HydrophobicContact CB-CG 4.48Å; L208-L212 WeakPolarHBondContact O-CG 3.44Å; L208-L212 PolarHBondContact O-N 3.07Å; L212-L215 PolarHBondContact O-N 2.98Å; L212-Q216 WeakPolarHBondContact O-CB 3.43Å; L212-Q216 PolarHBondContact O-N 3.49Å |
| 213 | K | 94.3 | Very high | 92.4 | Very high | 143 Ų | 143 | 94.6 Ų | 94.6 | 62% | 0.622 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.4 | -42.2 | 173.8 | -75.6 | 171.5 | -178.7 | 173.2 | 0 | 112.1 | S209 P210 I211 Q216 L217 | S209-K213 WeakPolarHBondContact O-CB 3.25Å; S209-K213 VanDerWaalsContact O-CG 3.25Å; S209-K213 WeakPolarHBondContact O-CG 3.48Å; S209-K213 PolarHBondContact O-N 3.21Å; S209-K213 VanDerWaalsContact O-N 3.1Å; P210-K213 PolarHBondContact O-N 3.25Å; I211-K213 VanDerWaalsContact C-N 3.34Å; I211-K213 PolarHBondContact O-N 3.2Å; K213-Q216 PolarHBondContact O-N 2.92Å; K213-L217 WeakPolarHBondContact O-CB 3.49Å; K213-L217 PolarHBondContact O-N 3.46Å |
| 214 | Q | 95.9 | Very high | 92.2 | Very high | 124 Ų | 124 | 92.8 Ų | 92.8 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.9 | -44.5 | 176.9 | -177.9 | 177 | -17.8 | 0 | 0 | 111.4 | P210 I211 Q216 L217 L218 | P210-Q214 PolarHBondContact O-N 2.88Å; I211-Q214 PolarHBondContact O-N 3.29Å; Q214-Q216 VanDerWaalsContact C-N 3.32Å; Q214-Q216 PolarHBondContact O-N 3.4Å; Q214-L217 PolarHBondContact O-N 2.91Å; Q214-L218 HydrophobicContact CG-CD1 4.25Å; Q214-L218 HydrophobicContact CG-CG 4.48Å; Q214-L218 WeakPolarHBondContact O-CG 3.47Å; Q214-L218 PolarHBondContact O-N 3.3Å |
| 215 | L | 96.1 | Very high | 91.9 | Very high | 100 Ų | 100 | 92 Ų | 92 | 52% | 0.524 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 176.2 | -70.9 | 173.3 | 0 | 0 | 0 | 111.8 | I211 L212 L218 S219 | I211-L215 HydrophobicContact CG2-CD1 4.19Å; I211-L215 WeakPolarHBondContact O-CG 3.4Å; I211-L215 PolarHBondContact O-N 3.48Å; L212-L215 PolarHBondContact O-N 2.98Å; L215-L218 PolarHBondContact O-N 3.46Å; L215-S219 WeakPolarHBondContact O-CB 3.33Å; L215-S219 PolarHBondContact O-N 3.27Å |
| 216 | Q | 94.3 | Very high | 91.5 | Very high | 124 Ų | 124 | 93.4 Ų | 93.4 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -44.5 | 173.9 | -175.2 | 176.9 | -10.4 | 0 | 0 | 111.1 | L212 K213 Q214 S219 Q220 | L212-Q216 WeakPolarHBondContact O-CB 3.43Å; L212-Q216 PolarHBondContact O-N 3.49Å; K213-Q216 PolarHBondContact O-N 2.92Å; Q214-Q216 VanDerWaalsContact C-N 3.32Å; Q214-Q216 PolarHBondContact O-N 3.4Å; Q216-S219 WeakPolarHBondContact O-CB 3.5Å; Q216-S219 PolarHBondContact O-N 3.03Å; Q216-Q220 VanDerWaalsContact O-CG 3.29Å; Q216-Q220 WeakPolarHBondContact O-CG 3.38Å; Q216-Q220 PolarHBondContact O-N 3.39Å |
| 217 | L | 95.9 | Very high | 91 | Very high | 102 Ų | 102 | 94.7 Ų | 94.7 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 176.9 | -174.1 | 152.3 | 0 | 0 | 0 | 111.7 | K213 Q214 S219 Q220 L221 | K213-L217 WeakPolarHBondContact O-CB 3.49Å; K213-L217 PolarHBondContact O-N 3.46Å; Q214-L217 PolarHBondContact O-N 2.91Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 3.39Å; L217-Q220 PolarHBondContact O-N 3.21Å; L217-L221 HydrophobicContact CD2-CD1 3.55Å; L217-L221 HydrophobicContact CD2-CG 4.06Å; L217-L221 WeakPolarHBondContact O-CG 3.45Å; L217-L221 PolarHBondContact O-N 2.99Å |
| 218 | L | 95 | Very high | 90.2 | Very high | 78 Ų | 78 | 99.2 Ų | 99.2 | 41% | 0.408 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 176.2 | -69.7 | 173.9 | 0 | 0 | 0 | 111.7 | Q214 L215 Q220 L221 Q222 | Q214-L218 HydrophobicContact CG-CD1 4.25Å; Q214-L218 HydrophobicContact CG-CG 4.48Å; Q214-L218 WeakPolarHBondContact O-CG 3.47Å; Q214-L218 PolarHBondContact O-N 3.3Å; L215-L218 PolarHBondContact O-N 3.46Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; L218-Q220 PolarHBondContact O-N 2.79Å; L218-L221 PolarHBondContact O-N 3.28Å; L218-Q222 WeakPolarHBondContact O-CB 3.3Å; L218-Q222 VanDerWaalsContact O-CG 3.3Å; L218-Q222 WeakPolarHBondContact O-CG 3.49Å; L218-Q222 PolarHBondContact O-N 3.36Å |
| 219 | S | 93.6 | Very high | 89 | Confident | 67 Ų | 67 | 105.8 Ų | 105.8 | 47% | 0.469 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.3 | -40 | 174.9 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | L215 Q216 L217 Q222 S223 | L215-S219 WeakPolarHBondContact O-CB 3.33Å; L215-S219 PolarHBondContact O-N 3.27Å; Q216-S219 WeakPolarHBondContact O-CB 3.5Å; Q216-S219 PolarHBondContact O-N 3.03Å; L217-S219 VanDerWaalsContact C-N 3.33Å; L217-S219 PolarHBondContact O-N 3.39Å; S219-Q222 PolarHBondContact O-N 3.21Å; S219-S223 PolarHBondContact O-N 3.31Å |
| 220 | Q | 93.2 | Very high | 88.8 | Confident | 108 Ų | 108 | 108.9 Ų | 108.9 | 51% | 0.505 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.4 | -37.8 | 175.7 | -63.7 | -66.2 | 3.7 | 0 | 0 | 112.1 | Q216 L217 L218 Q222 S223 C224 | Q216-Q220 VanDerWaalsContact O-CG 3.29Å; Q216-Q220 WeakPolarHBondContact O-CG 3.38Å; Q216-Q220 PolarHBondContact O-N 3.39Å; L217-Q220 PolarHBondContact O-N 3.21Å; L218-Q220 VanDerWaalsContact C-N 3.33Å; L218-Q220 PolarHBondContact O-N 2.79Å; Q220-Q222 VanDerWaalsContact C-N 3.35Å; Q220-S223 PolarHBondContact O-N 3.09Å; Q220-S223 PolarHBondContact O-OG 3.42Å; Q220-C224 PolarHBondContact O-N 3.33Å; Q220-C224 VanDerWaalsContact O-N 3.08Å; Q220-C224 PolarHBondContact O-SG 3.39Å |
| 221 | L | 92.8 | Very high | 88.5 | Confident | 101 Ų | 101 | 110.4 Ų | 110.4 | 53% | 0.529 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.6 | -40.3 | 174.3 | -71 | 177.7 | 0 | 0 | 0 | 111.6 | L217 L218 S223 C224 T225 | L217-L221 HydrophobicContact CD2-CD1 3.55Å; L217-L221 HydrophobicContact CD2-CG 4.06Å; L217-L221 WeakPolarHBondContact O-CG 3.45Å; L217-L221 PolarHBondContact O-N 2.99Å; L218-L221 PolarHBondContact O-N 3.28Å; L221-S223 VanDerWaalsContact C-N 3.35Å; L221-S223 PolarHBondContact O-N 2.93Å; L221-C224 PolarHBondContact O-N 3.41Å; L221-T225 WeakPolarHBondContact O-CG2 3.29Å; L221-T225 PolarHBondContact O-N 3.5Å; L221-T225 PolarHBondContact O-OG1 2.86Å |
| 222 | Q | 89.7 | Confident | 88.2 | Confident | 123 Ų | 123 | 111.3 Ų | 111.3 | 58% | 0.575 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63 | -38.7 | 175.6 | -73.9 | 175.4 | -36 | 0 | 0 | 112.3 | L218 S219 Q220 T225 N226 | L218-Q222 WeakPolarHBondContact O-CB 3.3Å; L218-Q222 VanDerWaalsContact O-CG 3.3Å; L218-Q222 WeakPolarHBondContact O-CG 3.49Å; L218-Q222 PolarHBondContact O-N 3.36Å; S219-Q222 PolarHBondContact O-N 3.21Å; Q220-Q222 VanDerWaalsContact C-N 3.35Å; Q222-T225 WeakPolarHBondContact CA-OG1 3.48Å; Q222-T225 PolarHBondContact O-N 3.31Å; Q222-T225 PolarHBondContact O-OG1 3.19Å; Q222-N226 PolarHBondContact O-N 3.43Å; Q222-N226 VanDerWaalsContact O-N 3.09Å; Q222-N226 PolarHBondContact O-ND2 2.92Å |
| 223 | S | 86.9 | Confident | 87.9 | Confident | 44 Ų | 44 | 112.6 Ų | 112.6 | 31% | 0.308 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.5 | -35.2 | 176.7 | 69.7 | 0 | 0 | 0 | 0 | 112.1 | S219 Q220 L221 Q227 | S219-S223 PolarHBondContact O-N 3.31Å; Q220-S223 PolarHBondContact O-N 3.09Å; Q220-S223 PolarHBondContact O-OG 3.42Å; L221-S223 VanDerWaalsContact C-N 3.35Å; L221-S223 PolarHBondContact O-N 2.93Å; S223-Q227 WeakPolarHBondContact O-CG 3.43Å; S223-Q227 PolarHBondContact O-N 3.43Å; S223-Q227 PolarHBondContact O-NE2 3.36Å |
| 224 | C | 83.5 | Confident | 87.5 | Confident | 76 Ų | 76 | 110.7 Ų | 110.7 | 51% | 0.514 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.6 | -41.1 | 172.5 | -69.9 | 0 | 0 | 0 | 0 | 112.2 | Q220 L221 Q227 | Q220-C224 PolarHBondContact O-N 3.33Å; Q220-C224 VanDerWaalsContact O-N 3.08Å; Q220-C224 PolarHBondContact O-SG 3.39Å; L221-C224 PolarHBondContact O-N 3.41Å; C224-Q227 PolarHBondContact O-N 3.31Å |
| 225 | T | 82.6 | Confident | 87 | Confident | 81 Ų | 81 | 109.8 Ų | 109.8 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.6 | -35.7 | 178.5 | 50.9 | 0 | 0 | 0 | 0 | 113 | L221 Q222 Q227 L228 | L221-T225 WeakPolarHBondContact O-CG2 3.29Å; L221-T225 PolarHBondContact O-N 3.5Å; L221-T225 PolarHBondContact O-OG1 2.86Å; Q222-T225 WeakPolarHBondContact CA-OG1 3.48Å; Q222-T225 PolarHBondContact O-N 3.31Å; Q222-T225 PolarHBondContact O-OG1 3.19Å; T225-Q227 PolarHBondContact O-N 3.08Å; T225-L228 PolarHBondContact O-N 3.33Å |
| 226 | N | 80.6 | Confident | 86.3 | Confident | 119 Ų | 119 | 110.5 Ų | 110.5 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.3 | -16.3 | 177.3 | -75.9 | -60.6 | 0 | 0 | 0 | 113.3 | Q222 | Q222-N226 PolarHBondContact O-N 3.43Å; Q222-N226 VanDerWaalsContact O-N 3.09Å; Q222-N226 PolarHBondContact O-ND2 2.92Å |
| 227 | Q | 78.6 | Confident | 85.7 | Confident | 157 Ų | 157 | 109.5 Ų | 109.5 | 73% | 0.734 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -11.5 | 175.2 | -75.2 | -179.8 | 92.7 | 0 | 0 | 113.5 | S223 C224 T225 | S223-Q227 WeakPolarHBondContact O-CG 3.43Å; S223-Q227 PolarHBondContact O-N 3.43Å; S223-Q227 PolarHBondContact O-NE2 3.36Å; C224-Q227 PolarHBondContact O-N 3.31Å; T225-Q227 PolarHBondContact O-N 3.08Å |
| 228 | L | 76 | Confident | 84.9 | Confident | 163 Ų | 163 | 110.1 Ų | 110.1 | 85% | 0.853 | 59% | 0.591 | S | S | * | * | trans | -102.4 | -6.8 | -177.7 | -150.2 | 78.5 | 0 | 0 | 0 | 113.4 | T225 | T225-L228 PolarHBondContact O-N 3.33Š| ||
| 229 | L | 65.8 | Low | 83.9 | Confident | 204 Ų | 204 | 113 Ų | 113 | 100% | 1.068 | 61% | 0.608 | S | S | * | * | trans | -101.8 | 0 | 175 | -71.8 | 166.6 | 0 | 0 | 0 | 110.1 |
Retrieved 229 of 229 residues in 81.4 ms
(Link to these results)