| 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 | 41.7 | Very low | 35 | Very low | 250 Ų | 250 | 130.5 Ų | 130.5 | 100% | 1.232 | 78% | 0.776 | S | S | * | * | 0 | 111.7 | 0 | -72.5 | 166 | 169.3 | 0 | 0 | 105.7 | |||||
| 2 | G | 31.5 | Very low | 34.9 | Very low | 72 Ų | 72 | 139.6 Ų | 139.6 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | cis | 124.6 | 123.6 | 25.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 3 | N | 32.8 | Very low | 34.7 | Very low | 149 Ų | 149 | 140.5 Ų | 140.5 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | 86.7 | 108.4 | 173.7 | -68.1 | 5.8 | 0 | 0 | 0 | 117.4 | ||||
| 4 | T | 38.4 | Very low | 34.4 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | 72 | 138.9 | 59.9 | 73.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 5 | S | 41.9 | Very low | 34.3 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | cis | -171.5 | 140.1 | 36.8 | -15.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 6 | D | 35.7 | Very low | 34.2 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 60% | 0.599 | 79% | 0.793 | S | S | * | * | 62.9 | 136.8 | 95 | -72.9 | -38.7 | 0 | 0 | 0 | 114.1 | |||||
| 7 | R | 38 | Very low | 34.1 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | cis | 177.9 | 152.8 | 22.4 | -112.1 | 170.4 | -162.2 | 119.1 | 18 | 109.6 | ||||
| 8 | V | 31.9 | Very low | 34 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | 62.1 | 146.2 | 129.3 | 169.9 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 9 | S | 31.1 | Very low | 33.8 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | cis | -179.6 | 158.4 | -10.4 | -84.8 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 10 | G | 30.9 | Very low | 33.6 | Very low | 83 Ų | 83 | 145.5 Ų | 145.5 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | 166.4 | 79 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 11 | D | 31.6 | Very low | 33.5 | Very low | 136 Ų | 136 | 144 Ų | 144 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -69.3 | 145.6 | 173.8 | -159.1 | -9.4 | 0 | 0 | 0 | 112.8 | H13 | D11-H13 IonicContact OD1-ND1 3.12Š| ||
| 12 | R | 33.7 | Very low | 32.7 | Very low | 240 Ų | 240 | 135.9 Ų | 135.9 | 91% | 0.906 | 79% | 0.786 | S | S | * | * | trans | 179 | 97.4 | 142.2 | -99.9 | 171.4 | -169 | -163.2 | 4 | 113.5 | ||||
| 13 | H | 32.7 | Very low | 32.4 | Very low | 152 Ų | 152 | 136 Ų | 136 | 70% | 0.704 | 79% | 0.788 | S | S | * | * | 32.2 | 122 | 123.9 | -86.1 | 67.1 | 0 | 0 | 0 | 121.2 | D11 | D11-H13 IonicContact OD1-ND1 3.12Š| |||
| 14 | G | 30.4 | Very low | 32.2 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -154.1 | 100 | 150.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 15 | K | 32.8 | Very low | 31.8 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 81% | 0.809 | 79% | 0.793 | S | S | * | * | trans | -78.6 | 142.8 | 175.7 | -85.7 | 176.9 | 171.3 | 175.2 | 0 | 111.3 | ||||
| 16 | A | 32.3 | Very low | 31.1 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -157.8 | 124.5 | 136 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 17 | H | 32 | Very low | 30.9 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -68.1 | 135.1 | 172.6 | -106.1 | -110.3 | 0 | 0 | 0 | 110.9 | ||||
| 18 | R | 32.3 | Very low | 30.4 | Very low | 226 Ų | 226 | 143.7 Ų | 143.7 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | 44.1 | 115.2 | 89.5 | -78.7 | -167.4 | 175.5 | -176.4 | -0.5 | 116.6 | |||||
| 19 | T | 30.7 | Very low | 30.4 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 95% | 0.951 | 82% | 0.824 | S | S | * | * | trans | -147.3 | 146.1 | 134.7 | 36.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 20 | D | 29.5 | Very low | 30.5 | Very low | 153 Ų | 153 | 147.2 Ų | 147.2 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -107.4 | 179.3 | -168.2 | 177.6 | 29.3 | 0 | 0 | 0 | 110.8 | ||||
| 21 | S | 31.1 | Very low | 30.5 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | 88 | 133.9 | 166.3 | 70.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 22 | G | 26.4 | Very low | 30.5 | Very low | 81 Ų | 81 | 144.6 Ų | 144.6 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | cis | 142 | 129 | 4.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 23 | G | 25.3 | Very low | 30.5 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 122.3 | 105 | 153.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 24 | S | 27.5 | Very low | 30.6 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | 73.2 | 120.2 | 120.2 | -55.7 | 0 | 0 | 0 | 0 | 126 | |||||
| 25 | H | 29.7 | Very low | 31 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 80% | 0.801 | 83% | 0.825 | S | S | * | * | trans | 70.2 | 120.6 | 132.6 | -80.7 | -72.5 | 0 | 0 | 0 | 125.2 | ||||
| 26 | K | 28.7 | Very low | 30.9 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 81% | 0.809 | 82% | 0.823 | S | S | * | * | 161.5 | 116 | 115.1 | -92.3 | -174.2 | 174.2 | -177.4 | 0 | 111.1 | |||||
| 27 | D | 29.5 | Very low | 31 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | 63.1 | 114.2 | 96.3 | -70.1 | -30.1 | 0 | 0 | 0 | 116.5 | |||||
| 28 | Q | 28.4 | Very low | 31.2 | Very low | 202 Ų | 202 | 141.2 Ų | 141.2 | 94% | 0.944 | 81% | 0.809 | S | S | * | * | -165.7 | 131.7 | 121.3 | -135.1 | 166.7 | 40.2 | 0 | 0 | 114.5 | |||||
| 29 | E | 31.5 | Very low | 31.4 | Very low | 186 Ų | 186 | 137.5 Ų | 137.5 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -68.3 | 157.8 | 171.5 | -81 | 174.1 | 113.3 | 0 | 0 | 115.6 | ||||
| 30 | S | 33.1 | Very low | 32.1 | Very low | 125 Ų | 125 | 137 Ų | 137 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | -168.8 | 140 | 121.6 | 70.3 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 31 | G | 30.7 | Very low | 33.1 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | cis | -179.6 | 132.8 | -1.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 32 | S | 33.3 | Very low | 33.3 | Very low | 93 Ų | 93 | 136 Ų | 136 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -10.8 | 144.6 | 162.5 | -169.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 33 | K | 33.3 | Very low | 33.7 | Very low | 210 Ų | 210 | 138.5 Ų | 138.5 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | -160.4 | 128.9 | 113.9 | -102.9 | 168.5 | -169.9 | -176.5 | 0 | 113.5 | |||||
| 34 | M | 35.1 | Very low | 34.2 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -83.9 | 161.1 | -179.3 | -59 | 162.7 | 168.4 | 0 | 0 | 112.2 | ||||
| 35 | V | 38.4 | Very low | 34.4 | Very low | 142 Ų | 142 | 146 Ų | 146 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | -179.1 | 107.1 | 126.8 | -83.5 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 36 | D | 29.4 | Very low | 34.9 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | 69.8 | 121.8 | 71.5 | -161.9 | 29.4 | 0 | 0 | 0 | 115.4 | |||||
| 37 | S | 34.7 | Very low | 35.2 | Very low | 90 Ų | 90 | 142.9 Ų | 142.9 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | 65 | 139.8 | 148.2 | -77.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 38 | T | 36.7 | Very low | 35.3 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | cis | -167.6 | 146.7 | 19.1 | 30.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 39 | D | 36.9 | Very low | 36.1 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | 8.6 | 144.6 | 126.6 | -73.2 | -24.9 | 0 | 0 | 0 | 118 | |||||
| 40 | D | 44.3 | Very low | 36 | Very low | 143 Ų | 143 | 135.3 Ų | 135.3 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | cis | -169.8 | -157 | 9.4 | -153.4 | -0.2 | 0 | 0 | 0 | 107.3 | ||||
| 41 | P | 50.4 | Low | 36 | Very low | 96 Ų | 96 | 134.6 Ų | 134.6 | 62% | 0.623 | 77% | 0.773 | S | S | * | * | trans | -116.4 | -164.3 | -137.2 | 37.6 | -13.5 | 0 | 0 | 0 | 113.2 | ||||
| 42 | N | 36.4 | Very low | 36 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | 83.4 | 119.5 | 163.4 | -90.8 | -9.3 | 0 | 0 | 0 | 119.1 | ||||
| 43 | V | 33.8 | Very low | 35.9 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | 158.3 | 123.7 | 104.2 | 169 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 44 | F | 36.1 | Very low | 35.9 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -63.8 | 129.1 | 159.8 | -93.8 | -102.6 | 0 | 0 | 0 | 111.5 | ||||
| 45 | N | 31.4 | Very low | 35.9 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | -178.5 | 155 | 125.3 | -107 | -0.4 | 0 | 0 | 0 | 114.8 | |||||
| 46 | T | 41.2 | Very low | 35.9 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | trans | -71.2 | 144.7 | -171.1 | 43.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 47 | H | 33.9 | Very low | 36.5 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | 155.7 | 130.2 | 126.6 | -87.1 | -71.3 | 0 | 0 | 0 | 111.2 | |||||
| 48 | G | 31.6 | Very low | 36.5 | Very low | 74 Ų | 74 | 140.4 Ų | 140.4 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | trans | -80.9 | -158.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 49 | P | 46.8 | Very low | 36.6 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | cis | -128.5 | 177.5 | -5.7 | 33 | -11.8 | 0 | 0 | 0 | 114.9 | ||||
| 50 | E | 28.2 | Very low | 36.5 | Very low | 178 Ų | 178 | 142.8 Ų | 142.8 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | 100.9 | 130.3 | 154.3 | -53.6 | -160.8 | 151.6 | 0 | 0 | 121.8 | ||||
| 51 | S | 32.8 | Very low | 36.5 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 95.3 | 92.9 | 147 | 70.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 52 | K | 31.6 | Very low | 35.8 | Very low | 202 Ų | 202 | 143.5 Ų | 143.5 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | trans | 50.9 | 107.1 | 130.7 | -62 | -175 | 178.2 | -178.5 | 0 | 119.3 | ||||
| 53 | S | 31.3 | Very low | 36.4 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | 169.7 | 91.7 | 106.9 | 46.8 | 0 | 0 | 0 | 0 | 109.9 | G55 | S53-G55 PolarHBondContact O-N 3.14Š| |||
| 54 | S | 32.3 | Very low | 37.2 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | trans | -81.8 | 108.2 | 170 | 39.5 | 0 | 0 | 0 | 0 | 108.9 | D56 | S54-D56 VanDerWaalsContact C-N 3.34Å; S54-D56 PolarHBondContact O-N 2.86Å | ||
| 55 | G | 35.9 | Very low | 37.8 | Very low | 79 Ų | 79 | 142.6 Ų | 142.6 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -82.5 | 81.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S53 | S53-G55 PolarHBondContact O-N 3.14Š| ||
| 56 | D | 37.7 | Very low | 38.8 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | -80.5 | 121.3 | 165.4 | -75 | -32.7 | 0 | 0 | 0 | 108.3 | S54 E58 | S54-D56 VanDerWaalsContact C-N 3.34Å; S54-D56 PolarHBondContact O-N 2.86Å; D56-E58 PolarHBondContact O-N 2.92Å | ||
| 57 | K | 43.2 | Very low | 39.3 | Very low | 210 Ų | 210 | 143.8 Ų | 143.8 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | trans | -70.1 | 88.9 | 164.8 | -75.5 | -176 | 177 | 177.7 | 0 | 107.5 | F59 | K57-F59 PolarHBondContact O-N 3.11Š| ||
| 58 | E | 33.8 | Very low | 39.8 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -60.6 | 119.9 | 167.6 | -162.6 | 165.4 | -169.8 | 0 | 0 | 108.4 | D56 T60 | D56-E58 PolarHBondContact O-N 2.92Å; E58-T60 PolarHBondContact O-N 3.02Å | ||
| 59 | F | 38.8 | Very low | 40.4 | Very low | 205 Ų | 205 | 147.9 Ų | 147.9 | 90% | 0.899 | 81% | 0.812 | S | S | * | * | trans | -60.2 | 105.3 | 165.2 | -118 | -98.7 | 0 | 0 | 0 | 106.3 | K57 P61 | K57-F59 PolarHBondContact O-N 3.11Å; F59-P61 WeakPolarHBondContact O-CD 3.42Å | ||
| 60 | T | 34.8 | Very low | 41 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | -68.7 | 115.4 | 169.1 | 47.5 | 0 | 0 | 0 | 0 | 107.4 | E58 D62 | E58-T60 PolarHBondContact O-N 3.02Å; T60-D62 PolarHBondContact O-N 2.83Å | ||
| 61 | P | 43.3 | Very low | 42.7 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | trans | -61.1 | 134.7 | 163.2 | 26.9 | -30.1 | 0 | 0 | 0 | 107.3 | F59 L63 | F59-P61 WeakPolarHBondContact O-CD 3.42Å; P61-L63 PolarHBondContact O-N 2.88Å; P61-L63 VanDerWaalsContact O-N 3.14Å | ||
| 62 | D | 36.6 | Very low | 45 | Very low | 141 Ų | 141 | 141.5 Ų | 141.5 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -48.4 | 122.3 | 180 | -105.3 | -29.8 | 0 | 0 | 0 | 109.6 | T60 D64 | T60-D62 PolarHBondContact O-N 2.83Å; D62-D64 PolarHBondContact O-N 3.01Å | ||
| 63 | L | 49.8 | Very low | 47.8 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 24.8 | -175.3 | -134.4 | 98.8 | 0 | 0 | 0 | 112.3 | P61 | P61-L63 PolarHBondContact O-N 2.88Å; P61-L63 VanDerWaalsContact O-N 3.14Å |
| 64 | D | 50.6 | Low | 50.6 | Low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -9 | 180 | -78.6 | -19.2 | 0 | 0 | 0 | 112.9 | D62 L66 | D62-D64 PolarHBondContact O-N 3.01Å; D64-L66 VanDerWaalsContact C-N 3.33Å |
| 65 | D | 48.9 | Very low | 53.6 | Low | 157 Ų | 157 | 128.9 Ų | 128.9 | 84% | 0.84 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -86.1 | -1.9 | 177.9 | -103.1 | -21.2 | 0 | 0 | 0 | 114.3 | V67 | D65-V67 PolarHBondContact O-N 3.37Š|
| 66 | L | 51.5 | Low | 56.4 | Low | 160 Ų | 160 | 125.7 Ų | 125.7 | 84% | 0.838 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -94.4 | 77.1 | 174.3 | -161 | 69.5 | 0 | 0 | 0 | 110.2 | D64 | D64-L66 VanDerWaalsContact C-N 3.33Š|
| 67 | V | 51.7 | Low | 59.2 | Low | 125 Ų | 125 | 123.5 Ų | 123.5 | 76% | 0.758 | 67% | 0.67 | S | S | * | * | S | Bend | trans | 152.5 | 95.4 | 145.8 | 167.7 | 0 | 0 | 0 | 0 | 109 | D65 | D65-V67 PolarHBondContact O-N 3.37Š|
| 68 | K | 44.1 | Very low | 61.8 | Low | 186 Ų | 186 | 113.6 Ų | 113.6 | 81% | 0.809 | 63% | 0.627 | S | S | * | * | trans | -166.3 | 74.6 | 143.7 | -103.9 | 169.5 | -169.1 | 178.7 | 0 | 108.8 | G70 | K68-G70 PolarHBondContact O-N 2.83Š| ||
| 69 | T | 45.4 | Very low | 64.8 | Low | 159 Ų | 159 | 112.1 Ų | 112.1 | 98% | 0.975 | 61% | 0.614 | S | S | * | * | trans | -75.9 | 55.2 | 165.7 | 51.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 70 | G | 58 | Low | 67.5 | Low | 43 Ų | 43 | 103.4 Ų | 103.4 | 44% | 0.443 | 58% | 0.575 | S | S | . | * | S | Bend | trans | -122.5 | 162.8 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | K68 Q72 | K68-G70 PolarHBondContact O-N 2.83Å; G70-Q72 PolarHBondContact O-N 3.25Å |
| 71 | P | 64.3 | Low | 70.4 | Confident | 117 Ų | 117 | 100.8 Ų | 100.8 | 76% | 0.76 | 57% | 0.566 | S | S | * | * | trans | -55.4 | 108.3 | 170.4 | -17.6 | 29.6 | 0 | 0 | 0 | 108 | A73 P116 | P71-A73 PolarHBondContact O-N 2.85Å; P71-P116 HydrophobicContact CB-CB 3.74Å | ||
| 72 | Q | 81.4 | Confident | 72.6 | Confident | 114 Ų | 114 | 96.6 Ų | 96.6 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | trans | -69.8 | 106.4 | 179.4 | -172 | 179.4 | 24.7 | 0 | 0 | 106.5 | G70 R74 | G70-Q72 PolarHBondContact O-N 3.25Å; Q72-R74 HydrophobicContact CG-CG 4.43Å | ||
| 73 | A | 89.3 | Confident | 75.2 | Confident | 47 Ų | 47 | 92.9 Ų | 92.9 | 39% | 0.388 | 54% | 0.538 | S | S | . | . | trans | -69.8 | 137.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | P71 D114 L115 | P71-A73 PolarHBondContact O-N 2.85Å; A73-D114 HydrophobicContact CB-CB 3.84Å; A73-L115 WeakPolarHBondContact CA-O 3.31Å | ||
| 74 | R | 90 | Very high | 77.2 | Confident | 40 Ų | 40 | 86.4 Ų | 86.4 | 15% | 0.151 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.4 | -173.3 | -58.9 | -178 | 174.9 | -163.2 | -7.5 | 110.7 | Q72 T76 D114 L115 E117 K154 F157 | Q72-R74 HydrophobicContact CG-CG 4.43Å; R74-T76 PolarHBondContact O-N 2.8Å; R74-T76 VanDerWaalsContact O-N 3.13Å; R74-T76 PolarHBondContact O-OG1 2.9Å; R74-D114 WeakPolarHBondContact O-CA 3.43Å; R74-L115 PolarHBondContact N-O 3.2Å; R74-L115 PolarHBondContact O-N 3.46Å; R74-E117 IonicContact CZ-OE1 3.91Å; R74-E117 IonicContact NE-OE1 4Å; R74-E117 IonicContact NH2-OE1 3.93Å; R74-K154 PolarHBondContact NH1-O 3.48Å; R74-K154 VanDerWaalsContact NH1-O 3.08Å; R74-F157 HydrophobicContact CB-CD1 3.84Å; R74-F157 HydrophobicContact CB-CD2 4.39Å; R74-F157 HydrophobicContact CB-CE1 3.24Å; R74-F157 HydrophobicContact CB-CE2 3.82Å; R74-F157 HydrophobicContact CB-CG 4.37Å; R74-F157 HydrophobicContact CB-CZ 3.21Å; R74-F157 HydrophobicContact CG-CD1 4.4Å; R74-F157 HydrophobicContact CG-CD2 4.45Å; R74-F157 HydrophobicContact CG-CE1 4.2Å; R74-F157 HydrophobicContact CG-CE2 4.19Å; R74-F157 HydrophobicContact CG-CZ 4.07Å |
| 75 | P | 95.6 | Very high | 79.1 | Confident | 80 Ų | 80 | 87.7 Ų | 87.7 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 115.8 | -171.9 | 25.5 | -34.7 | 0 | 0 | 0 | 110.6 | I112 D114 | P75-I112 HydrophobicContact CB-CG2 3.88Å; P75-D114 VanDerWaalsContact CA-OD1 3.31Å; P75-D114 WeakPolarHBondContact CA-OD1 3.38Å |
| 76 | T | 96.4 | Very high | 81.3 | Confident | 13 Ų | 13 | 85.9 Ų | 85.9 | 8% | 0.08 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.6 | -179.2 | -54.5 | 0 | 0 | 0 | 0 | 109.1 | R74 I112 L113 L115 I150 V152 | R74-T76 PolarHBondContact O-N 2.8Å; R74-T76 VanDerWaalsContact O-N 3.13Å; R74-T76 PolarHBondContact O-OG1 2.9Å; T76-I112 WeakPolarHBondContact O-CA 3.49Å; T76-L113 WeakPolarHBondContact CB-O 3.27Å; T76-L113 PolarHBondContact N-O 2.75Å; T76-L113 PolarHBondContact O-N 2.9Å; T76-L115 HydrophobicContact CG2-CD1 4.07Å; T76-I150 HydrophobicContact CG2-CD1 3.43Å; T76-I150 VanDerWaalsContact CG2-CD1 3.43Å; T76-I150 HydrophobicContact CG2-CG1 4.45Å; T76-V152 HydrophobicContact CG2-CG2 4.22Å |
| 77 | V | 96.3 | Very high | 83.5 | Confident | 93 Ų | 93 | 78.5 Ų | 78.5 | 56% | 0.564 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 123.9 | 179 | -176.2 | 0 | 0 | 0 | 0 | 109 | V110 I112 | V77-V110 HydrophobicContact CG1-CG1 3.85Å; V77-I112 HydrophobicContact CG2-CG1 4.33Å |
| 78 | I | 96.7 | Very high | 85.7 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.9 | 170.8 | -54.7 | 176.5 | 0 | 0 | 0 | 108.3 | I89 V110 A111 L113 Y122 F124 | I78-I89 HydrophobicContact CB-CD1 4.18Å; I78-I89 HydrophobicContact CD1-CD1 3.6Å; I78-I89 HydrophobicContact CG1-CD1 4.49Å; I78-I89 HydrophobicContact CG2-CD1 3.57Å; I78-V110 WeakPolarHBondContact O-CA 3.34Å; I78-A111 PolarHBondContact N-O 2.85Å; I78-A111 PolarHBondContact O-N 2.88Å; I78-L113 HydrophobicContact CD1-CD1 3.95Å; I78-Y122 HydrophobicContact CG2-CD2 4.28Å; I78-Y122 HydrophobicContact CG2-CE2 3.82Å; I78-F124 HydrophobicContact CG2-CE1 4.05Å; I78-F124 HydrophobicContact CG2-CZ 3.74Å |
| 79 | R | 96.6 | Very high | 88.3 | Confident | 142 Ų | 142 | 66.8 Ų | 66.8 | 54% | 0.536 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.4 | -174.5 | -178.6 | 170.8 | 67.5 | 158.6 | -5.4 | 110.8 | D108 F109 V110 | R79-D108 WeakPolarHBondContact CD-OD2 3.39Å; R79-D108 HydrophobicContact CG-CB 4.06Å; R79-D108 IonicContact CZ-OD2 3.95Å; R79-D108 IonicContact NH1-OD2 3.96Å; R79-D108 PolarHBondContact NH1-OD2 3.5Å; R79-D108 VanDerWaalsContact NH1-OD2 3.12Å; R79-F109 CarbonylContact C-O 3.55Å; R79-F109 WeakPolarHBondContact CA-O 3.17Å; R79-V110 HydrophobicContact CB-CG2 4.4Å; R79-V110 HydrophobicContact CG-CG2 4.07Å |
| 80 | W | 96.9 | Very high | 90.7 | Very high | 22 Ų | 22 | 59.2 Ų | 59.2 | 8% | 0.083 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 109.1 | 168.1 | 172.6 | -100.6 | 0 | 0 | 0 | 108.3 | G82 G83 V87 L102 F109 F124 V126 L131 D133 | W80-G82 VanDerWaalsContact C-N 3.28Å; W80-G82 VanDerWaalsContact CD1-O 3.31Å; W80-G82 VanDerWaalsContact NE1-C 3.3Å; W80-G82 PolarHBondContact NE1-O 3.49Å; W80-G83 PolarHBondContact NE1-O 2.99Å; W80-G83 VanDerWaalsContact NE1-O 3.11Å; W80-V87 HydrophobicContact CB-CG1 4.37Å; W80-V87 HydrophobicContact CG-CG1 4.19Å; W80-L102 HydrophobicContact CB-CD2 4.14Å; W80-F109 HydrophobicContact CB-CB 4.16Å; W80-F109 AromaticContact CD1-CD2 3.94Å; W80-F109 PolarHBondContact N-O 2.85Å; W80-F109 PolarHBondContact O-N 2.94Å; W80-F124 HydrophobicContact CB-CD1 4.08Å; W80-F124 HydrophobicContact CB-CE1 3.8Å; W80-F124 HydrophobicContact CB-CZ 4.06Å; W80-F124 HydrophobicContact CD2-CD2 4.33Å; W80-F124 HydrophobicContact CD2-CG 4.26Å; W80-F124 HydrophobicContact CE3-CB 4.29Å; W80-F124 HydrophobicContact CE3-CD1 4.34Å; W80-F124 AromaticContact CE3-CD2 3.41Å; W80-F124 HydrophobicContact CE3-CD2 3.41Å; W80-F124 VanDerWaalsContact CE3-CD2 3.41Å; W80-F124 AromaticContact CE3-CE2 3.68Å; W80-F124 HydrophobicContact CE3-CE2 3.68Å; W80-F124 AromaticContact CE3-CG 3.76Å; W80-F124 HydrophobicContact CE3-CG 3.76Å; W80-F124 HydrophobicContact CE3-CZ 4.26Å; W80-F124 HydrophobicContact CG-CD1 4.48Å; W80-F124 AromaticContact CZ3-CD2 3.79Å; W80-F124 HydrophobicContact CZ3-CD2 3.79Å; W80-F124 HydrophobicContact CZ3-CE2 4.31Å; W80-F124 HydrophobicContact CZ3-CG 4.3Å; W80-V126 HydrophobicContact CD2-CG2 4.44Å; W80-V126 HydrophobicContact CZ2-CG2 3.89Å; W80-L131 HydrophobicContact CH2-CB 3.94Å; W80-L131 HydrophobicContact CH2-CD1 4.14Å; W80-L131 HydrophobicContact CZ2-CD1 4.08Å; W80-D133 HydrophobicContact CE3-CB 4.29Å; W80-D133 HydrophobicContact CZ3-CB 4.15Å |
| 81 | A | 94.7 | Very high | 92.5 | Very high | 61 Ų | 61 | 57.2 Ų | 57.2 | 50% | 0.504 | 33% | 0.326 | S | S | . | . | trans | -85.2 | -2.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 82 | G | 90.6 | Very high | 94 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -74 | 167.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | W80 | W80-G82 VanDerWaalsContact C-N 3.28Å; W80-G82 VanDerWaalsContact CD1-O 3.31Å; W80-G82 VanDerWaalsContact NE1-C 3.3Å; W80-G82 PolarHBondContact NE1-O 3.49Å |
| 83 | G | 90.1 | Very high | 94.6 | Very high | 62 Ų | 62 | 50.8 Ų | 50.8 | 64% | 0.639 | 29% | 0.289 | S | S | * | . | trans | -70 | 172.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W80 | W80-G83 PolarHBondContact NE1-O 2.99Å; W80-G83 VanDerWaalsContact NE1-O 3.11Å | ||
| 84 | G | 91.3 | Very high | 94.8 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 21% | 0.206 | 28% | 0.277 | C | S | . | . | trans | 157.1 | 160.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K104 F109 D127 | G84-K104 PolarHBondContact O-NZ 2.84Å; G84-F109 VanDerWaalsContact O-CZ 3.31Å; G84-F109 WeakPolarHBondContact O-CZ 3.5Å; G84-D127 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 85 | K | 92 | Very high | 95 | Very high | 173 Ų | 173 | 54.5 Ų | 54.5 | 75% | 0.752 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -94.7 | -50.3 | 166.2 | -64 | 179.8 | -178.3 | 176.3 | 0 | 110.3 | D127 | K85-D127 WeakPolarHBondContact CA-OD1 3.26Å; K85-D127 WeakPolarHBondContact CB-OD1 3.49Å; K85-D127 PolarHBondContact N-OD1 2.82Å; K85-D127 PolarHBondContact N-OD2 2.96Å; K85-D127 VanDerWaalsContact N-OD2 3.14Å |
| 86 | E | 94.5 | Very high | 94.9 | Very high | 119 Ų | 119 | 55.7 Ų | 55.7 | 56% | 0.556 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -124.6 | 118.3 | 179.8 | -61.5 | -175.6 | 127 | 0 | 0 | 109.4 | Y88 D127 | E86-Y88 HydrophobicContact CB-CE2 3.84Å; E86-D127 PolarHBondContact N-OD1 3.28Å; E86-D127 PolarHBondContact O-N 3.09Å |
| 87 | V | 97.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.2 | -178.5 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | W80 L102 F109 F124 V126 | W80-V87 HydrophobicContact CB-CG1 4.37Å; W80-V87 HydrophobicContact CG-CG1 4.19Å; V87-L102 HydrophobicContact CB-CB 4.41Å; V87-L102 HydrophobicContact CG1-CB 4.33Å; V87-L102 HydrophobicContact CG1-CD1 4.39Å; V87-L102 HydrophobicContact CG1-CD2 3.92Å; V87-L102 HydrophobicContact CG1-CG 4.43Å; V87-L102 PolarHBondContact O-N 2.82Å; V87-F109 HydrophobicContact CB-CB 4.2Å; V87-F109 HydrophobicContact CB-CD1 3.64Å; V87-F109 HydrophobicContact CB-CD2 4.44Å; V87-F109 HydrophobicContact CB-CE1 4.02Å; V87-F109 HydrophobicContact CB-CG 3.86Å; V87-F109 HydrophobicContact CG1-CB 4.24Å; V87-F109 HydrophobicContact CG1-CG 4.39Å; V87-F109 HydrophobicContact CG2-CB 4.39Å; V87-F109 HydrophobicContact CG2-CD1 3.63Å; V87-F109 HydrophobicContact CG2-CD2 3.75Å; V87-F109 HydrophobicContact CG2-CE1 3.64Å; V87-F109 HydrophobicContact CG2-CE2 3.77Å; V87-F109 HydrophobicContact CG2-CG 3.67Å; V87-F109 HydrophobicContact CG2-CZ 3.71Å; V87-F124 HydrophobicContact CG1-CD1 4.25Å; V87-V126 HydrophobicContact CG1-CG2 4.07Å; V87-V126 HydrophobicContact CG2-CG1 4.17Å; V87-V126 HydrophobicContact CG2-CG2 4.21Å |
| 88 | Y | 97.9 | Very high | 94.4 | Very high | 63 Ų | 63 | 59.8 Ų | 59.8 | 25% | 0.247 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 162.8 | 174.6 | -51.9 | -100.4 | 0 | 0 | 0 | 110.9 | E86 K99 I100 P101 F124 F125 | E86-Y88 HydrophobicContact CB-CE2 3.84Å; Y88-K99 HydrophobicContact CD1-CB 3.94Å; Y88-K99 HydrophobicContact CG-CB 4.01Å; Y88-I100 CarbonylContact C-O 3.38Å; Y88-I100 WeakPolarHBondContact CA-O 3.35Å; Y88-I100 WeakPolarHBondContact CB-O 3.31Å; Y88-P101 HydrophobicContact CD1-CB 3.87Å; Y88-P101 HydrophobicContact CE1-CB 3.86Å; Y88-F124 CarbonylContact O-C 2.92Å; Y88-F124 WeakPolarHBondContact O-CA 3.44Å; Y88-F125 HydrophobicContact CD2-CD1 4.03Å; Y88-F125 PolarHBondContact N-O 2.8Å; Y88-F125 PolarHBondContact O-N 3.08Å |
| 89 | I | 97.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 144 | 172.8 | -172.1 | 169.9 | 0 | 0 | 0 | 110.9 | I78 F93 I100 L102 L113 Y122 F124 | I78-I89 HydrophobicContact CB-CD1 4.18Å; I78-I89 HydrophobicContact CD1-CD1 3.6Å; I78-I89 HydrophobicContact CG1-CD1 4.49Å; I78-I89 HydrophobicContact CG2-CD1 3.57Å; I89-F93 HydrophobicContact CD1-CZ 4.41Å; I89-F93 HydrophobicContact CG1-CZ 4.31Å; I89-I100 HydrophobicContact CG2-CB 3.9Å; I89-I100 PolarHBondContact N-O 3.12Å; I89-I100 PolarHBondContact O-N 2.96Å; I89-L102 HydrophobicContact CB-CD1 3.69Å; I89-L102 HydrophobicContact CG2-CD1 3.51Å; I89-L113 HydrophobicContact CG2-CD1 4.42Å; I89-Y122 HydrophobicContact CD1-CD2 3.56Å; I89-Y122 HydrophobicContact CD1-CE2 4.31Å; I89-Y122 HydrophobicContact CD1-CG 4.06Å; I89-Y122 HydrophobicContact CG1-CD2 4.17Å; I89-F124 HydrophobicContact CB-CD1 4.39Å; I89-F124 HydrophobicContact CD1-CE1 4.15Å |
| 90 | A | 97.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 154.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | W96 Y122 K123 W130 | A90-W96 HydrophobicContact CB-CE3 4.19Å; A90-W96 WeakPolarHBondContact O-CZ3 3.35Å; A90-Y122 CarbonylContact O-C 3.6Å; A90-Y122 VanDerWaalsContact O-CA 3.32Å; A90-Y122 WeakPolarHBondContact O-CA 3.45Å; A90-K123 PolarHBondContact N-O 2.96Å; A90-K123 VanDerWaalsContact N-O 3.12Å; A90-K123 PolarHBondContact O-N 2.83Å; A90-W130 HydrophobicContact CB-CH2 3.86Å; A90-W130 HydrophobicContact CB-CZ3 4.19Å |
| 91 | G | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | -173.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | F93 N94 N95 W96 Q121 | G91-F93 PolarHBondContact O-N 2.66Å; G91-N94 PolarHBondContact N-OD1 3.12Å; G91-N94 VanDerWaalsContact N-OD1 3.08Å; G91-N94 PolarHBondContact O-N 2.87Å; G91-N94 PolarHBondContact O-OD1 2.91Å; G91-N95 PolarHBondContact O-N 2.81Å; G91-W96 PolarHBondContact O-N 2.94Å; G91-Q121 CarbonylContact C-O 3.54Å; G91-Q121 WeakPolarHBondContact CA-O 3.38Å |
| 92 | S | 95.1 | Very high | 94.5 | Very high | 42 Ų | 42 | 60.4 Ų | 60.4 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -58.2 | -36.4 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | N94 N95 H120 Q121 | S92-N94 PolarHBondContact O-N 2.85Å; S92-N94 VanDerWaalsContact O-N 3.16Å; S92-N95 PolarHBondContact O-N 2.76Å; S92-N95 VanDerWaalsContact O-N 3.11Å; S92-H120 WeakPolarHBondContact OG-CA 3.34Å; S92-Q121 PolarHBondContact N-O 3.33Å; S92-Q121 PolarHBondContact OG-N 3.31Å; S92-Q121 VanDerWaalsContact OG-N 3.09Å; S92-Q121 PolarHBondContact OG-O 3.23Å |
| 93 | F | 93.9 | Very high | 94.8 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 24% | 0.237 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -63.1 | -19.8 | -179.3 | 54.5 | -101.3 | 0 | 0 | 0 | 114.4 | I89 G91 I100 L113 L115 H120 | I89-F93 HydrophobicContact CD1-CZ 4.41Å; I89-F93 HydrophobicContact CG1-CZ 4.31Å; G91-F93 PolarHBondContact O-N 2.66Å; F93-I100 HydrophobicContact CE2-CD1 3.83Å; F93-L113 HydrophobicContact CD2-CD1 4.33Å; F93-L113 HydrophobicContact CE1-CD1 4.15Å; F93-L113 HydrophobicContact CE2-CD1 3.6Å; F93-L113 HydrophobicContact CZ-CD1 3.48Å; F93-L113 VanDerWaalsContact CZ-CD1 3.48Å; F93-L115 HydrophobicContact CB-CD2 3.57Å; F93-L115 HydrophobicContact CD1-CD1 4.49Å; F93-L115 HydrophobicContact CD1-CD2 3.7Å; F93-L115 HydrophobicContact CD2-CD2 4.28Å; F93-L115 HydrophobicContact CE1-CD2 4.48Å; F93-L115 HydrophobicContact CG-CD2 3.58Å; F93-H120 HydrophobicContact CD1-CB 4.45Å |
| 94 | N | 93.1 | Very high | 95 | Very high | 25 Ų | 25 | 68.7 Ų | 68.7 | 13% | 0.134 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -122.3 | 23 | 174.6 | 74.9 | -4.3 | 0 | 0 | 0 | 112.8 | G91 S92 W96 S97 N98 | G91-N94 PolarHBondContact N-OD1 3.12Å; G91-N94 VanDerWaalsContact N-OD1 3.08Å; G91-N94 PolarHBondContact O-N 2.87Å; G91-N94 PolarHBondContact O-OD1 2.91Å; S92-N94 PolarHBondContact O-N 2.85Å; S92-N94 VanDerWaalsContact O-N 3.16Å; N94-W96 PolarHBondContact O-N 2.86Å; N94-W96 VanDerWaalsContact O-N 3.09Å; N94-W96 PolarHBondContact OD1-N 3.48Å; N94-S97 WeakPolarHBondContact O-CB 3.32Å; N94-S97 PolarHBondContact O-N 3.09Å; N94-S97 PolarHBondContact O-OG 3.42Å; N94-N98 PolarHBondContact ND2-O 2.85Å |
| 95 | N | 93.9 | Very high | 95 | Very high | 140 Ų | 140 | 71 Ų | 71 | 75% | 0.749 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 29.9 | -178.3 | -61.7 | -44.8 | 0 | 0 | 0 | 113.6 | G91 S92 S97 | G91-N95 PolarHBondContact O-N 2.81Å; S92-N95 PolarHBondContact O-N 2.76Å; S92-N95 VanDerWaalsContact O-N 3.11Å; N95-S97 PolarHBondContact O-N 3.04Å |
| 96 | W | 93.7 | Very high | 94.7 | Very high | 105 Ų | 105 | 71.4 Ų | 71.4 | 40% | 0.398 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 17.3 | -176 | -55.2 | 89.8 | 0 | 0 | 0 | 114.6 | A90 G91 N94 Q121 K123 N147 | A90-W96 HydrophobicContact CB-CE3 4.19Å; A90-W96 WeakPolarHBondContact O-CZ3 3.35Å; G91-W96 PolarHBondContact O-N 2.94Å; N94-W96 PolarHBondContact O-N 2.86Å; N94-W96 VanDerWaalsContact O-N 3.09Å; N94-W96 PolarHBondContact OD1-N 3.48Å; W96-Q121 HydrophobicContact CZ2-CB 3.97Å; W96-K123 HydrophobicContact CH2-CB 4.14Å; W96-K123 HydrophobicContact CZ3-CB 3.76Å; W96-N147 HydrophobicContact CH2-CB 4.24Å; W96-N147 WeakPolarHBondContact CH2-ND2 3.4Å; W96-N147 WeakPolarHBondContact CZ2-ND2 3.26Å |
| 97 | S | 89.8 | Confident | 94.4 | Very high | 79 Ų | 79 | 72.2 Ų | 72.2 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | trans | -84 | -39.7 | -167.8 | 61.6 | 0 | 0 | 0 | 0 | 113.1 | N94 N95 | N94-S97 WeakPolarHBondContact O-CB 3.32Å; N94-S97 PolarHBondContact O-N 3.09Å; N94-S97 PolarHBondContact O-OG 3.42Å; N95-S97 PolarHBondContact O-N 3.04Å | ||
| 98 | N | 93.3 | Very high | 94.2 | Very high | 114 Ų | 114 | 73.8 Ų | 73.8 | 61% | 0.61 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -124 | 150.4 | -175.6 | -67.7 | -36 | 0 | 0 | 0 | 110.9 | N94 | N94-N98 PolarHBondContact ND2-O 2.85Š|
| 99 | K | 95.8 | Very high | 94.1 | Very high | 92 Ų | 92 | 71.2 Ų | 71.2 | 40% | 0.4 | 37% | 0.372 | S | S | . | . | trans | -96.5 | 113.8 | 173.6 | -69.8 | -178.7 | -173 | 177.3 | 0 | 108.9 | Y88 F125 | Y88-K99 HydrophobicContact CD1-CB 3.94Å; Y88-K99 HydrophobicContact CG-CB 4.01Å; K99-F125 HydrophobicContact CD-CB 4.29Å; K99-F125 HydrophobicContact CD-CD1 3.85Å; K99-F125 HydrophobicContact CD-CE1 4.36Å; K99-F125 HydrophobicContact CD-CG 4.03Å; K99-F125 VanDerWaalsContact NZ-CD1 3.29Å; K99-F125 VanDerWaalsContact NZ-CE2 3.25Å | ||
| 100 | I | 97.1 | Very high | 94.1 | Very high | 50 Ų | 50 | 73.1 Ų | 73.1 | 26% | 0.256 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 122 | 178 | -54.9 | 177.4 | 0 | 0 | 0 | 107.9 | Y88 I89 F93 L113 | Y88-I100 CarbonylContact C-O 3.38Å; Y88-I100 WeakPolarHBondContact CA-O 3.35Å; Y88-I100 WeakPolarHBondContact CB-O 3.31Å; I89-I100 HydrophobicContact CG2-CB 3.9Å; I89-I100 PolarHBondContact N-O 3.12Å; I89-I100 PolarHBondContact O-N 2.96Å; F93-I100 HydrophobicContact CE2-CD1 3.83Å; I100-L113 HydrophobicContact CD1-CD1 4.29Å; I100-L113 HydrophobicContact CD1-CD2 3.97Å; I100-L113 HydrophobicContact CG2-CD2 4.33Å |
| 101 | P | 97 | Very high | 94 | Very high | 84 Ų | 84 | 73.3 Ų | 73.3 | 55% | 0.545 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 139 | 178.9 | 28.2 | -33.6 | 0 | 0 | 0 | 111.1 | Y88 | Y88-P101 HydrophobicContact CD1-CB 3.87Å; Y88-P101 HydrophobicContact CE1-CB 3.86Å |
| 102 | L | 97.5 | Very high | 94 | Very high | 14 Ų | 14 | 78.9 Ų | 78.9 | 7% | 0.073 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 144.6 | 171.9 | -83.7 | 67.7 | 0 | 0 | 0 | 110.6 | W80 V87 I89 F109 A111 F124 | W80-L102 HydrophobicContact CB-CD2 4.14Å; V87-L102 HydrophobicContact CB-CB 4.41Å; V87-L102 HydrophobicContact CG1-CB 4.33Å; V87-L102 HydrophobicContact CG1-CD1 4.39Å; V87-L102 HydrophobicContact CG1-CD2 3.92Å; V87-L102 HydrophobicContact CG1-CG 4.43Å; V87-L102 PolarHBondContact O-N 2.82Å; I89-L102 HydrophobicContact CB-CD1 3.69Å; I89-L102 HydrophobicContact CG2-CD1 3.51Å; L102-F109 HydrophobicContact CB-CB 3.82Å; L102-F109 HydrophobicContact CB-CD1 4.35Å; L102-F109 HydrophobicContact CD2-CB 3.8Å; L102-F109 HydrophobicContact CG-CB 4.45Å; L102-A111 HydrophobicContact CD1-CB 4.35Å; L102-A111 HydrophobicContact CG-CB 4.02Å; L102-F124 HydrophobicContact CD2-CD1 4.21Å; L102-F124 HydrophobicContact CD2-CE1 3.82Å |
| 103 | N | 96.3 | Very high | 94 | Very high | 128 Ų | 128 | 78 Ų | 78 | 68% | 0.684 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 123.3 | 174.2 | -68.5 | -48.1 | 0 | 0 | 0 | 109.8 | F109 V110 | N103-F109 WeakPolarHBondContact O-CA 3.45Å; N103-V110 PolarHBondContact N-O 2.86Å; N103-V110 PolarHBondContact O-N 2.93Å |
| 104 | K | 95.1 | Very high | 94.1 | Very high | 134 Ų | 134 | 80.7 Ų | 80.7 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 122 | 177.5 | -173.5 | 169.6 | -174.1 | 165.2 | 0 | 110.8 | G84 F109 | G84-K104 PolarHBondContact O-NZ 2.84Å; K104-F109 HydrophobicContact CB-CD1 3.83Å; K104-F109 HydrophobicContact CB-CE1 3.55Å; K104-F109 HydrophobicContact CB-CZ 4.19Å; K104-F109 HydrophobicContact CD-CE1 3.72Å; K104-F109 HydrophobicContact CD-CE2 4.39Å; K104-F109 HydrophobicContact CD-CZ 3.54Å; K104-F109 HydrophobicContact CG-CD1 4.17Å; K104-F109 HydrophobicContact CG-CE1 3.65Å; K104-F109 HydrophobicContact CG-CE2 4.32Å; K104-F109 HydrophobicContact CG-CZ 3.73Å |
| 105 | S | 89.4 | Confident | 94.2 | Very high | 69 Ų | 69 | 79.5 Ų | 79.5 | 48% | 0.483 | 42% | 0.417 | S | S | . | . | trans | -95.7 | -167.3 | 163.8 | -170.1 | 0 | 0 | 0 | 0 | 109.9 | D108 | S105-D108 WeakPolarHBondContact CA-O 3.27Å; S105-D108 VanDerWaalsContact CB-O 3.27Å; S105-D108 WeakPolarHBondContact CB-O 3.4Å; S105-D108 PolarHBondContact N-O 2.98Å | ||
| 106 | H | 85.7 | Confident | 94.3 | Very high | 181 Ų | 181 | 74.9 Ų | 74.9 | 84% | 0.838 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -63.4 | -48.2 | -179.6 | -67.7 | 81.9 | 0 | 0 | 0 | 112 | ||
| 107 | N | 88.1 | Confident | 94.3 | Very high | 135 Ų | 135 | 73.5 Ų | 73.5 | 72% | 0.722 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -115.5 | -22.6 | -179 | -74 | 2.1 | 0 | 0 | 0 | 113.9 | ||
| 108 | D | 93.5 | Very high | 94.5 | Very high | 39 Ų | 39 | 71.3 Ų | 71.3 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | trans | -121.9 | 154.3 | -168.8 | -58.9 | -17.2 | 0 | 0 | 0 | 111.1 | R79 S105 V110 | R79-D108 WeakPolarHBondContact CD-OD2 3.39Å; R79-D108 HydrophobicContact CG-CB 4.06Å; R79-D108 IonicContact CZ-OD2 3.95Å; R79-D108 IonicContact NH1-OD2 3.96Å; R79-D108 PolarHBondContact NH1-OD2 3.5Å; R79-D108 VanDerWaalsContact NH1-OD2 3.12Å; S105-D108 WeakPolarHBondContact CA-O 3.27Å; S105-D108 VanDerWaalsContact CB-O 3.27Å; S105-D108 WeakPolarHBondContact CB-O 3.4Å; S105-D108 PolarHBondContact N-O 2.98Å; D108-V110 HydrophobicContact CB-CG2 4.35Å | ||
| 109 | F | 97.1 | Very high | 94.7 | Very high | 8 Ų | 8 | 72.3 Ų | 72.3 | 4% | 0.035 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.5 | 166.4 | -70.9 | -99.1 | 0 | 0 | 0 | 108.7 | R79 W80 G84 V87 L102 N103 K104 | R79-F109 CarbonylContact C-O 3.55Å; R79-F109 WeakPolarHBondContact CA-O 3.17Å; W80-F109 HydrophobicContact CB-CB 4.16Å; W80-F109 AromaticContact CD1-CD2 3.94Å; W80-F109 PolarHBondContact N-O 2.85Å; W80-F109 PolarHBondContact O-N 2.94Å; G84-F109 VanDerWaalsContact O-CZ 3.31Å; G84-F109 WeakPolarHBondContact O-CZ 3.5Å; V87-F109 HydrophobicContact CB-CB 4.2Å; V87-F109 HydrophobicContact CB-CD1 3.64Å; V87-F109 HydrophobicContact CB-CD2 4.44Å; V87-F109 HydrophobicContact CB-CE1 4.02Å; V87-F109 HydrophobicContact CB-CG 3.86Å; V87-F109 HydrophobicContact CG1-CB 4.24Å; V87-F109 HydrophobicContact CG1-CG 4.39Å; V87-F109 HydrophobicContact CG2-CB 4.39Å; V87-F109 HydrophobicContact CG2-CD1 3.63Å; V87-F109 HydrophobicContact CG2-CD2 3.75Å; V87-F109 HydrophobicContact CG2-CE1 3.64Å; V87-F109 HydrophobicContact CG2-CE2 3.77Å; V87-F109 HydrophobicContact CG2-CG 3.67Å; V87-F109 HydrophobicContact CG2-CZ 3.71Å; L102-F109 HydrophobicContact CB-CB 3.82Å; L102-F109 HydrophobicContact CB-CD1 4.35Å; L102-F109 HydrophobicContact CD2-CB 3.8Å; L102-F109 HydrophobicContact CG-CB 4.45Å; N103-F109 WeakPolarHBondContact O-CA 3.45Å; K104-F109 HydrophobicContact CB-CD1 3.83Å; K104-F109 HydrophobicContact CB-CE1 3.55Å; K104-F109 HydrophobicContact CB-CZ 4.19Å; K104-F109 HydrophobicContact CD-CE1 3.72Å; K104-F109 HydrophobicContact CD-CE2 4.39Å; K104-F109 HydrophobicContact CD-CZ 3.54Å; K104-F109 HydrophobicContact CG-CD1 4.17Å; K104-F109 HydrophobicContact CG-CE1 3.65Å; K104-F109 HydrophobicContact CG-CE2 4.32Å; K104-F109 HydrophobicContact CG-CZ 3.73Å |
| 110 | V | 96.8 | Very high | 94.7 | Very high | 41 Ų | 41 | 68.7 Ų | 68.7 | 25% | 0.248 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 141.2 | -173.3 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | V77 I78 R79 N103 D108 | V77-V110 HydrophobicContact CG1-CG1 3.85Å; I78-V110 WeakPolarHBondContact O-CA 3.34Å; R79-V110 HydrophobicContact CB-CG2 4.4Å; R79-V110 HydrophobicContact CG-CG2 4.07Å; N103-V110 PolarHBondContact N-O 2.86Å; N103-V110 PolarHBondContact O-N 2.93Å; D108-V110 HydrophobicContact CB-CG2 4.35Å |
| 111 | A | 95.9 | Very high | 94.7 | Very high | 6 Ų | 6 | 69.1 Ų | 69.1 | 5% | 0.05 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 143 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | I78 L102 L113 | I78-A111 PolarHBondContact N-O 2.85Å; I78-A111 PolarHBondContact O-N 2.88Å; L102-A111 HydrophobicContact CD1-CB 4.35Å; L102-A111 HydrophobicContact CG-CB 4.02Å; A111-L113 HydrophobicContact CB-CD2 4.43Å; A111-L113 HydrophobicContact CB-CG 4.4Å |
| 112 | I | 96.3 | Very high | 94.7 | Very high | 116 Ų | 116 | 65.4 Ų | 65.4 | 60% | 0.595 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 116.7 | 169.6 | -55.4 | 179.5 | 0 | 0 | 0 | 106 | P75 T76 V77 | P75-I112 HydrophobicContact CB-CG2 3.88Å; T76-I112 WeakPolarHBondContact O-CA 3.49Å; V77-I112 HydrophobicContact CG2-CG1 4.33Å |
| 113 | L | 95.7 | Very high | 94.7 | Very high | 24 Ų | 24 | 66.1 Ų | 66.1 | 13% | 0.126 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.7 | -177.8 | -58.5 | -179 | 0 | 0 | 0 | 109.3 | T76 I78 I89 F93 I100 A111 L115 | T76-L113 WeakPolarHBondContact CB-O 3.27Å; T76-L113 PolarHBondContact N-O 2.75Å; T76-L113 PolarHBondContact O-N 2.9Å; I78-L113 HydrophobicContact CD1-CD1 3.95Å; I89-L113 HydrophobicContact CG2-CD1 4.42Å; F93-L113 HydrophobicContact CD2-CD1 4.33Å; F93-L113 HydrophobicContact CE1-CD1 4.15Å; F93-L113 HydrophobicContact CE2-CD1 3.6Å; F93-L113 HydrophobicContact CZ-CD1 3.48Å; F93-L113 VanDerWaalsContact CZ-CD1 3.48Å; I100-L113 HydrophobicContact CD1-CD1 4.29Å; I100-L113 HydrophobicContact CD1-CD2 3.97Å; I100-L113 HydrophobicContact CG2-CD2 4.33Å; A111-L113 HydrophobicContact CB-CD2 4.43Å; A111-L113 HydrophobicContact CB-CG 4.4Å; L113-L115 HydrophobicContact CB-CD2 4.09Å; L113-L115 HydrophobicContact CB-CG 4.24Å; L113-L115 PolarHBondContact O-N 2.81Å |
| 114 | D | 95.3 | Very high | 94.8 | Very high | 110 Ų | 110 | 60 Ų | 60 | 59% | 0.588 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 107.8 | 171.9 | -67.2 | -33.2 | 0 | 0 | 0 | 109.1 | A73 R74 P75 | A73-D114 HydrophobicContact CB-CB 3.84Å; R74-D114 WeakPolarHBondContact O-CA 3.43Å; P75-D114 VanDerWaalsContact CA-OD1 3.31Å; P75-D114 WeakPolarHBondContact CA-OD1 3.38Å |
| 115 | L | 95.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 134.9 | -179.1 | -59.2 | -174.7 | 0 | 0 | 0 | 110 | A73 R74 T76 F93 L113 H120 I150 V152 | A73-L115 WeakPolarHBondContact CA-O 3.31Å; R74-L115 PolarHBondContact N-O 3.2Å; R74-L115 PolarHBondContact O-N 3.46Å; T76-L115 HydrophobicContact CG2-CD1 4.07Å; F93-L115 HydrophobicContact CB-CD2 3.57Å; F93-L115 HydrophobicContact CD1-CD1 4.49Å; F93-L115 HydrophobicContact CD1-CD2 3.7Å; F93-L115 HydrophobicContact CD2-CD2 4.28Å; F93-L115 HydrophobicContact CE1-CD2 4.48Å; F93-L115 HydrophobicContact CG-CD2 3.58Å; L113-L115 HydrophobicContact CB-CD2 4.09Å; L113-L115 HydrophobicContact CB-CG 4.24Å; L113-L115 PolarHBondContact O-N 2.81Å; L115-H120 HydrophobicContact CD1-CB 4.42Å; L115-I150 HydrophobicContact CD1-CG2 4.35Å; L115-V152 HydrophobicContact CB-CG2 4.16Å; L115-V152 HydrophobicContact CD1-CG2 4.35Å |
| 116 | P | 94.7 | Very high | 95.3 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | trans | -67.9 | 159.2 | 170.9 | 30.9 | -34.3 | 0 | 0 | 0 | 110.4 | P71 H120 | P71-P116 HydrophobicContact CB-CB 3.74Å; P116-H120 PolarHBondContact O-NE2 2.87Å | ||
| 117 | E | 94.3 | Very high | 95.8 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 36% | 0.36 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -55.5 | 142.1 | 173.7 | -67.4 | 167.3 | -149.2 | 0 | 0 | 112.1 | R74 V152 K154 | R74-E117 IonicContact CZ-OE1 3.91Å; R74-E117 IonicContact NE-OE1 4Å; R74-E117 IonicContact NH2-OE1 3.93Å; E117-V152 WeakPolarHBondContact CA-O 3.43Å; E117-K154 HydrophobicContact CG-CG 4.28Å; E117-K154 WeakPolarHBondContact OE1-CE 3.33Å; E117-K154 WeakPolarHBondContact OE1-CG 3.22Å; E117-K154 WeakPolarHBondContact OE2-CE 3.46Å; E117-K154 WeakPolarHBondContact OE2-CG 3.1Å |
| 118 | G | 94.9 | Very high | 96.1 | Very high | 32 Ų | 32 | 43.8 Ų | 43.8 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 126.8 | -168.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V152 | G118-V152 PolarHBondContact N-O 2.92Å; G118-V152 PolarHBondContact O-N 2.7Å |
| 119 | E | 96.4 | Very high | 96.2 | Very high | 135 Ų | 135 | 48.2 Ų | 48.2 | 63% | 0.631 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 128.8 | -178.4 | -73.7 | -176.1 | 179.6 | 0 | 0 | 111.4 | L149 I150 T151 | E119-L149 HydrophobicContact CB-CD1 3.96Å; E119-L149 HydrophobicContact CG-CD1 4.33Å; E119-I150 WeakPolarHBondContact CA-O 3.34Å; E119-T151 HydrophobicContact CG-CG2 4.38Å |
| 120 | H | 96.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 53.1 Ų | 53.1 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.7 | 177.3 | -60.8 | -80.4 | 0 | 0 | 0 | 110.6 | S92 F93 L115 P116 I150 | S92-H120 WeakPolarHBondContact OG-CA 3.34Å; F93-H120 HydrophobicContact CD1-CB 4.45Å; L115-H120 HydrophobicContact CD1-CB 4.42Å; P116-H120 PolarHBondContact O-NE2 2.87Å; H120-I150 HydrophobicContact CB-CG2 3.85Å; H120-I150 PolarHBondContact N-O 3.03Å; H120-I150 PolarHBondContact O-N 3.3Å |
| 121 | Q | 97.1 | Very high | 96.1 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 137.8 | 173.3 | -64.4 | -175.3 | 22.7 | 0 | 0 | 109.5 | G91 S92 W96 V139 N147 N148 L149 | G91-Q121 CarbonylContact C-O 3.54Å; G91-Q121 WeakPolarHBondContact CA-O 3.38Å; S92-Q121 PolarHBondContact N-O 3.33Å; S92-Q121 PolarHBondContact OG-N 3.31Å; S92-Q121 VanDerWaalsContact OG-N 3.09Å; S92-Q121 PolarHBondContact OG-O 3.23Å; W96-Q121 HydrophobicContact CZ2-CB 3.97Å; Q121-V139 VanDerWaalsContact CD-CG1 3.49Å; Q121-V139 HydrophobicContact CG-CG1 3.71Å; Q121-N147 HydrophobicContact CB-CB 4.29Å; Q121-N147 PolarHBondContact OE1-ND2 2.88Å; Q121-N148 CarbonylContact C-O 3.56Å; Q121-N148 VanDerWaalsContact CA-O 3.29Å; Q121-N148 WeakPolarHBondContact CA-O 3.2Å; Q121-L149 HydrophobicContact CG-CD1 4.18Å |
| 122 | Y | 97.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.02 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 164.1 | 178.8 | 69.2 | -83.8 | 0 | 0 | 0 | 112.1 | I78 I89 A90 F124 N148 I150 | I78-Y122 HydrophobicContact CG2-CD2 4.28Å; I78-Y122 HydrophobicContact CG2-CE2 3.82Å; I89-Y122 HydrophobicContact CD1-CD2 3.56Å; I89-Y122 HydrophobicContact CD1-CE2 4.31Å; I89-Y122 HydrophobicContact CD1-CG 4.06Å; I89-Y122 HydrophobicContact CG1-CD2 4.17Å; A90-Y122 CarbonylContact O-C 3.6Å; A90-Y122 VanDerWaalsContact O-CA 3.32Å; A90-Y122 WeakPolarHBondContact O-CA 3.45Å; Y122-F124 HydrophobicContact CD2-CE2 4.15Å; Y122-F124 HydrophobicContact CD2-CZ 4.21Å; Y122-F124 HydrophobicContact CE2-CD2 4.43Å; Y122-F124 AromaticContact CE2-CE2 3.55Å; Y122-F124 HydrophobicContact CE2-CE2 3.55Å; Y122-F124 AromaticContact CE2-CZ 3.65Å; Y122-F124 HydrophobicContact CE2-CZ 3.65Å; Y122-N148 HydrophobicContact CD1-CB 3.9Å; Y122-N148 HydrophobicContact CD2-CB 4.01Å; Y122-N148 HydrophobicContact CE1-CB 3.42Å; Y122-N148 VanDerWaalsContact CE1-CB 3.42Å; Y122-N148 HydrophobicContact CE2-CB 3.56Å; Y122-N148 HydrophobicContact CG-CB 4.18Å; Y122-N148 PolarHBondContact N-O 2.84Å; Y122-N148 PolarHBondContact O-N 2.76Å; Y122-I150 HydrophobicContact CD1-CB 4.46Å; Y122-I150 HydrophobicContact CD1-CG2 3.99Å; Y122-I150 HydrophobicContact CE1-CB 3.93Å; Y122-I150 HydrophobicContact CE1-CG2 3.94Å |
| 123 | K | 97.2 | Very high | 96.2 | Very high | 30 Ų | 30 | 52.2 Ų | 52.2 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 147.3 | 176.8 | -157.9 | 168.7 | -171 | 161.6 | 0 | 111.2 | A90 W96 W130 L131 I146 | A90-K123 PolarHBondContact N-O 2.96Å; A90-K123 VanDerWaalsContact N-O 3.12Å; A90-K123 PolarHBondContact O-N 2.83Å; W96-K123 HydrophobicContact CH2-CB 4.14Å; W96-K123 HydrophobicContact CZ3-CB 3.76Å; K123-W130 HydrophobicContact CB-CE3 3.95Å; K123-W130 HydrophobicContact CB-CZ3 4.09Å; K123-W130 HydrophobicContact CD-CB 4.18Å; K123-W130 HydrophobicContact CD-CE3 4.03Å; K123-W130 HydrophobicContact CG-CE3 3.88Å; K123-L131 WeakPolarHBondContact CG-O 3.32Å; K123-I146 WeakPolarHBondContact CE-O 3.31Å; K123-I146 PolarHBondContact NZ-O 3.29Å |
| 124 | F | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 142.5 | 177.5 | -62 | -78.6 | 0 | 0 | 0 | 111.2 | I78 W80 V87 Y88 I89 L102 Y122 V126 W130 L131 D133 | I78-F124 HydrophobicContact CG2-CE1 4.05Å; I78-F124 HydrophobicContact CG2-CZ 3.74Å; W80-F124 HydrophobicContact CB-CD1 4.08Å; W80-F124 HydrophobicContact CB-CE1 3.8Å; W80-F124 HydrophobicContact CB-CZ 4.06Å; W80-F124 HydrophobicContact CD2-CD2 4.33Å; W80-F124 HydrophobicContact CD2-CG 4.26Å; W80-F124 HydrophobicContact CE3-CB 4.29Å; W80-F124 HydrophobicContact CE3-CD1 4.34Å; W80-F124 AromaticContact CE3-CD2 3.41Å; W80-F124 HydrophobicContact CE3-CD2 3.41Å; W80-F124 VanDerWaalsContact CE3-CD2 3.41Å; W80-F124 AromaticContact CE3-CE2 3.68Å; W80-F124 HydrophobicContact CE3-CE2 3.68Å; W80-F124 AromaticContact CE3-CG 3.76Å; W80-F124 HydrophobicContact CE3-CG 3.76Å; W80-F124 HydrophobicContact CE3-CZ 4.26Å; W80-F124 HydrophobicContact CG-CD1 4.48Å; W80-F124 AromaticContact CZ3-CD2 3.79Å; W80-F124 HydrophobicContact CZ3-CD2 3.79Å; W80-F124 HydrophobicContact CZ3-CE2 4.31Å; W80-F124 HydrophobicContact CZ3-CG 4.3Å; V87-F124 HydrophobicContact CG1-CD1 4.25Å; Y88-F124 CarbonylContact O-C 2.92Å; Y88-F124 WeakPolarHBondContact O-CA 3.44Å; I89-F124 HydrophobicContact CB-CD1 4.39Å; I89-F124 HydrophobicContact CD1-CE1 4.15Å; L102-F124 HydrophobicContact CD2-CD1 4.21Å; L102-F124 HydrophobicContact CD2-CE1 3.82Å; Y122-F124 HydrophobicContact CD2-CE2 4.15Å; Y122-F124 HydrophobicContact CD2-CZ 4.21Å; Y122-F124 HydrophobicContact CE2-CD2 4.43Å; Y122-F124 AromaticContact CE2-CE2 3.55Å; Y122-F124 HydrophobicContact CE2-CE2 3.55Å; Y122-F124 AromaticContact CE2-CZ 3.65Å; Y122-F124 HydrophobicContact CE2-CZ 3.65Å; F124-V126 HydrophobicContact CB-CG2 4.05Å; F124-W130 CarbonylContact O-C 3.4Å; F124-W130 WeakPolarHBondContact O-CA 3.29Å; F124-L131 PolarHBondContact N-O 3.11Å; F124-L131 PolarHBondContact O-N 3.09Å; F124-D133 HydrophobicContact CE2-CB 4.06Å |
| 125 | F | 97.5 | Very high | 96.2 | Very high | 33 Ų | 33 | 55.5 Ų | 55.5 | 15% | 0.145 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 102.8 | 169.3 | -172.3 | -98.7 | 0 | 0 | 0 | 108.2 | Y88 K99 G128 Q129 W130 | Y88-F125 HydrophobicContact CD2-CD1 4.03Å; Y88-F125 PolarHBondContact N-O 2.8Å; Y88-F125 PolarHBondContact O-N 3.08Å; K99-F125 HydrophobicContact CD-CB 4.29Å; K99-F125 HydrophobicContact CD-CD1 3.85Å; K99-F125 HydrophobicContact CD-CE1 4.36Å; K99-F125 HydrophobicContact CD-CG 4.03Å; K99-F125 VanDerWaalsContact NZ-CD1 3.29Å; K99-F125 VanDerWaalsContact NZ-CE2 3.25Å; F125-G128 VanDerWaalsContact CE2-C 3.43Å; F125-G128 VanDerWaalsContact CE2-O 3.26Å; F125-G128 WeakPolarHBondContact CE2-O 3.28Å; F125-G128 WeakPolarHBondContact CZ-O 3.25Å; F125-Q129 CarbonylContact C-O 3.52Å; F125-Q129 WeakPolarHBondContact CA-O 3.46Å; F125-W130 HydrophobicContact CB-CD2 4.37Å; F125-W130 HydrophobicContact CB-CE3 4.03Å; F125-W130 HydrophobicContact CB-CH2 4.27Å; F125-W130 HydrophobicContact CB-CZ3 3.98Å; F125-W130 AromaticContact CD2-CD1 3.97Å; F125-W130 AromaticContact CD2-CD2 3.72Å; F125-W130 HydrophobicContact CD2-CD2 3.72Å; F125-W130 AromaticContact CD2-CE2 3.61Å; F125-W130 HydrophobicContact CD2-CE3 4.25Å; F125-W130 AromaticContact CD2-CG 3.97Å; F125-W130 HydrophobicContact CD2-CG 3.97Å; F125-W130 HydrophobicContact CD2-CZ2 4.08Å; F125-W130 AromaticContact CD2-NE1 3.76Å; F125-W130 AromaticContact CE2-NE1 3.96Å |
| 126 | V | 97.3 | Very high | 96.2 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.9 | -172.4 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | W80 V87 F124 G128 Q129 L131 | W80-V126 HydrophobicContact CD2-CG2 4.44Å; W80-V126 HydrophobicContact CZ2-CG2 3.89Å; V87-V126 HydrophobicContact CG1-CG2 4.07Å; V87-V126 HydrophobicContact CG2-CG1 4.17Å; V87-V126 HydrophobicContact CG2-CG2 4.21Å; F124-V126 HydrophobicContact CB-CG2 4.05Å; V126-G128 PolarHBondContact O-N 2.95Å; V126-Q129 PolarHBondContact N-O 2.86Å; V126-Q129 PolarHBondContact O-N 2.96Å; V126-L131 HydrophobicContact CB-CD1 3.91Å; V126-L131 HydrophobicContact CG1-CD1 4.43Å; V126-L131 HydrophobicContact CG2-CD1 4.1Å |
| 127 | D | 95.8 | Very high | 96.3 | Very high | 85 Ų | 85 | 61.2 Ų | 61.2 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 37.8 | 175 | -63.3 | -20.1 | 0 | 0 | 0 | 114.2 | G84 K85 E86 | G84-D127 WeakPolarHBondContact CA-OD2 3.5Å; K85-D127 WeakPolarHBondContact CA-OD1 3.26Å; K85-D127 WeakPolarHBondContact CB-OD1 3.49Å; K85-D127 PolarHBondContact N-OD1 2.82Å; K85-D127 PolarHBondContact N-OD2 2.96Å; K85-D127 VanDerWaalsContact N-OD2 3.14Å; E86-D127 PolarHBondContact N-OD1 3.28Å; E86-D127 PolarHBondContact O-N 3.09Å |
| 128 | G | 94.9 | Very high | 96.5 | Very high | 50 Ų | 50 | 61.1 Ų | 61.1 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -4.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | F125 V126 | F125-G128 VanDerWaalsContact CE2-C 3.43Å; F125-G128 VanDerWaalsContact CE2-O 3.26Å; F125-G128 WeakPolarHBondContact CE2-O 3.28Å; F125-G128 WeakPolarHBondContact CZ-O 3.25Å; V126-G128 PolarHBondContact O-N 2.95Å |
| 129 | Q | 95.9 | Very high | 96.6 | Very high | 131 Ų | 131 | 61.7 Ų | 61.7 | 61% | 0.612 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.5 | -174 | -60.8 | -171.2 | -5.3 | 0 | 0 | 112.7 | F125 V126 | F125-Q129 CarbonylContact C-O 3.52Å; F125-Q129 WeakPolarHBondContact CA-O 3.46Å; V126-Q129 PolarHBondContact N-O 2.86Å; V126-Q129 PolarHBondContact O-N 2.96Å |
| 130 | W | 96.1 | Very high | 96.5 | Very high | 112 Ų | 112 | 59.7 Ų | 59.7 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 114.2 | 175.1 | -74.6 | 107.4 | 0 | 0 | 0 | 110.9 | A90 K123 F124 F125 | A90-W130 HydrophobicContact CB-CH2 3.86Å; A90-W130 HydrophobicContact CB-CZ3 4.19Å; K123-W130 HydrophobicContact CB-CE3 3.95Å; K123-W130 HydrophobicContact CB-CZ3 4.09Å; K123-W130 HydrophobicContact CD-CB 4.18Å; K123-W130 HydrophobicContact CD-CE3 4.03Å; K123-W130 HydrophobicContact CG-CE3 3.88Å; F124-W130 CarbonylContact O-C 3.4Å; F124-W130 WeakPolarHBondContact O-CA 3.29Å; F125-W130 HydrophobicContact CB-CD2 4.37Å; F125-W130 HydrophobicContact CB-CE3 4.03Å; F125-W130 HydrophobicContact CB-CH2 4.27Å; F125-W130 HydrophobicContact CB-CZ3 3.98Å; F125-W130 AromaticContact CD2-CD1 3.97Å; F125-W130 AromaticContact CD2-CD2 3.72Å; F125-W130 HydrophobicContact CD2-CD2 3.72Å; F125-W130 AromaticContact CD2-CE2 3.61Å; F125-W130 HydrophobicContact CD2-CE3 4.25Å; F125-W130 AromaticContact CD2-CG 3.97Å; F125-W130 HydrophobicContact CD2-CG 3.97Å; F125-W130 HydrophobicContact CD2-CZ2 4.08Å; F125-W130 AromaticContact CD2-NE1 3.76Å; F125-W130 AromaticContact CE2-NE1 3.96Å |
| 131 | L | 96.6 | Very high | 96.2 | Very high | 61 Ų | 61 | 60.7 Ų | 60.7 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 158.1 | -178.7 | -58.4 | 179.9 | 0 | 0 | 0 | 110.8 | W80 K123 F124 V126 | W80-L131 HydrophobicContact CH2-CB 3.94Å; W80-L131 HydrophobicContact CH2-CD1 4.14Å; W80-L131 HydrophobicContact CZ2-CD1 4.08Å; K123-L131 WeakPolarHBondContact CG-O 3.32Å; F124-L131 PolarHBondContact N-O 3.11Å; F124-L131 PolarHBondContact O-N 3.09Å; V126-L131 HydrophobicContact CB-CD1 3.91Å; V126-L131 HydrophobicContact CG1-CD1 4.43Å; V126-L131 HydrophobicContact CG2-CD1 4.1Å |
| 132 | H | 96.5 | Very high | 95.7 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | trans | -120.1 | 155.2 | 170.4 | 69.5 | -82.7 | 0 | 0 | 0 | 108.4 | P134 N148 | H132-P134 WeakPolarHBondContact O-CD 3.02Å; H132-N148 VanDerWaalsContact CA-OD1 3.27Å; H132-N148 WeakPolarHBondContact CA-OD1 3.16Å; H132-N148 VanDerWaalsContact CB-OD1 3.31Å; H132-N148 WeakPolarHBondContact CB-OD1 3.48Å | ||
| 133 | D | 96.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 75 Ų | 75 | 8% | 0.08 | 41% | 0.413 | C | S | . | . | trans | -81 | 120.4 | 173.6 | -166.5 | -26.1 | 0 | 0 | 0 | 109.7 | W80 F124 S135 E136 N148 | W80-D133 HydrophobicContact CE3-CB 4.29Å; W80-D133 HydrophobicContact CZ3-CB 4.15Å; F124-D133 HydrophobicContact CE2-CB 4.06Å; D133-S135 VanDerWaalsContact C-N 3.31Å; D133-S135 PolarHBondContact O-N 3.13Å; D133-S135 PolarHBondContact OD1-N 3.22Å; D133-S135 PolarHBondContact OD1-OG 2.8Å; D133-E136 HydrophobicContact CB-CB 4.28Å; D133-E136 HydrophobicContact CB-CG 4.12Å; D133-N148 PolarHBondContact N-OD1 2.96Å; D133-N148 PolarHBondContact O-ND2 3.16Å | ||
| 134 | P | 95.3 | Very high | 94.8 | Very high | 113 Ų | 113 | 76.1 Ų | 76.1 | 73% | 0.734 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -14.7 | 179.1 | 30.9 | -36.5 | 0 | 0 | 0 | 114.4 | H132 | H132-P134 WeakPolarHBondContact O-CD 3.02Š|
| 135 | S | 95.1 | Very high | 94.6 | Very high | 91 Ų | 91 | 79 Ų | 79 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -15.6 | 175.9 | 64.6 | 0 | 0 | 0 | 0 | 113.4 | D133 | D133-S135 VanDerWaalsContact C-N 3.31Å; D133-S135 PolarHBondContact O-N 3.13Å; D133-S135 PolarHBondContact OD1-N 3.22Å; D133-S135 PolarHBondContact OD1-OG 2.8Å |
| 136 | E | 96.5 | Very high | 94.5 | Very high | 85 Ų | 85 | 80.7 Ų | 80.7 | 40% | 0.397 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -100.9 | 153.4 | -177.1 | -64.4 | -60.1 | 141.2 | 0 | 0 | 111.5 | D133 | D133-E136 HydrophobicContact CB-CB 4.28Å; D133-E136 HydrophobicContact CB-CG 4.12Å |
| 137 | P | 96.8 | Very high | 94.5 | Very high | 78 Ų | 78 | 80.5 Ų | 80.5 | 51% | 0.506 | 46% | 0.46 | S | S | . | . | trans | -54.6 | 144.2 | 175.2 | -25 | 34.6 | 0 | 0 | 0 | 112.6 | N148 L149 | P137-N148 CarbonylContact O-C 3.53Å; P137-N148 VanDerWaalsContact O-CA 3.28Å; P137-N148 WeakPolarHBondContact O-CA 3.45Å; P137-N148 PolarHBondContact O-ND2 3.01Å; P137-L149 PolarHBondContact O-N 2.94Å | ||
| 138 | V | 97.4 | Very high | 94.6 | Very high | 75 Ų | 75 | 76.5 Ų | 76.5 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 151 | 179.9 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | I146 N147 N148 | V138-I146 HydrophobicContact CB-CG2 3.92Å; V138-I146 HydrophobicContact CG1-CG2 4.12Å; V138-I146 HydrophobicContact CG2-CG2 4.35Å; V138-N147 CarbonylContact C-O 3.47Å; V138-N147 VanDerWaalsContact CA-O 3.25Å; V138-N147 WeakPolarHBondContact CA-O 3.46Å; V138-N147 WeakPolarHBondContact CB-O 3.43Å; V138-N148 WeakPolarHBondContact CG1-ND2 3.21Å |
| 139 | V | 97 | Very high | 94.7 | Very high | 43 Ų | 43 | 75.7 Ų | 75.7 | 26% | 0.261 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.8 | 172.4 | 65.1 | 0 | 0 | 0 | 0 | 109.9 | Q121 N147 L149 | Q121-V139 VanDerWaalsContact CD-CG1 3.49Å; Q121-V139 HydrophobicContact CG-CG1 3.71Å; V139-N147 PolarHBondContact N-O 2.92Å; V139-N147 PolarHBondContact O-N 2.81Å; V139-L149 HydrophobicContact CG1-CB 4.28Å |
| 140 | T | 96.1 | Very high | 94.7 | Very high | 94 Ų | 94 | 71 Ų | 71 | 58% | 0.577 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 119.3 | 175 | -56.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 141 | S | 89.3 | Confident | 94.7 | Very high | 37 Ų | 37 | 68.7 Ų | 68.7 | 26% | 0.259 | 40% | 0.399 | S | S | . | . | trans | -68.8 | 161.6 | 176.2 | -174.2 | 0 | 0 | 0 | 0 | 111.6 | L143 G144 T145 | S141-L143 PolarHBondContact O-N 3.16Å; S141-L143 VanDerWaalsContact O-N 3.09Å; S141-G144 WeakPolarHBondContact O-CA 3.46Å; S141-G144 PolarHBondContact O-N 3.42Å; S141-T145 WeakPolarHBondContact CB-O 3.49Å; S141-T145 WeakPolarHBondContact CB-OG1 3.39Å; S141-T145 PolarHBondContact N-O 3.29Å | ||
| 142 | Q | 85.8 | Confident | 94.6 | Very high | 206 Ų | 206 | 66 Ų | 66 | 96% | 0.963 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.3 | 177.6 | -61.5 | 176.7 | 15.4 | 0 | 0 | 113 | G144 | Q142-G144 VanDerWaalsContact C-N 3.27Å; Q142-G144 PolarHBondContact O-N 3.37Å |
| 143 | L | 87.2 | Confident | 94.4 | Very high | 158 Ų | 158 | 67.5 Ų | 67.5 | 83% | 0.827 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 5.7 | 176.7 | -60.2 | 174.8 | 0 | 0 | 0 | 113.3 | S141 T145 | S141-L143 PolarHBondContact O-N 3.16Å; S141-L143 VanDerWaalsContact O-N 3.09Å; L143-T145 VanDerWaalsContact C-N 3.33Å; L143-T145 PolarHBondContact O-N 3.09Å |
| 144 | G | 89.4 | Confident | 94.1 | Very high | 55 Ų | 55 | 73.2 Ų | 73.2 | 57% | 0.567 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 80.8 | 5.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S141 Q142 | S141-G144 WeakPolarHBondContact O-CA 3.46Å; S141-G144 PolarHBondContact O-N 3.42Å; Q142-G144 VanDerWaalsContact C-N 3.27Å; Q142-G144 PolarHBondContact O-N 3.37Å |
| 145 | T | 92.8 | Very high | 93.7 | Very high | 61 Ų | 61 | 68.8 Ų | 68.8 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | trans | -82.5 | 130.1 | 177.5 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | S141 L143 | S141-T145 WeakPolarHBondContact CB-O 3.49Å; S141-T145 WeakPolarHBondContact CB-OG1 3.39Å; S141-T145 PolarHBondContact N-O 3.29Å; L143-T145 VanDerWaalsContact C-N 3.33Å; L143-T145 PolarHBondContact O-N 3.09Å | ||
| 146 | I | 96.4 | Very high | 93.5 | Very high | 67 Ų | 67 | 67.9 Ų | 67.9 | 34% | 0.344 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 125.3 | 172.8 | -56.2 | 173.1 | 0 | 0 | 0 | 109 | K123 V138 | K123-I146 WeakPolarHBondContact CE-O 3.31Å; K123-I146 PolarHBondContact NZ-O 3.29Å; V138-I146 HydrophobicContact CB-CG2 3.92Å; V138-I146 HydrophobicContact CG1-CG2 4.12Å; V138-I146 HydrophobicContact CG2-CG2 4.35Å |
| 147 | N | 97.3 | Very high | 93 | Very high | 7 Ų | 7 | 66.9 Ų | 66.9 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150.8 | 177.1 | -62.8 | -23.8 | 0 | 0 | 0 | 109.1 | W96 Q121 V138 V139 | W96-N147 HydrophobicContact CH2-CB 4.24Å; W96-N147 WeakPolarHBondContact CH2-ND2 3.4Å; W96-N147 WeakPolarHBondContact CZ2-ND2 3.26Å; Q121-N147 HydrophobicContact CB-CB 4.29Å; Q121-N147 PolarHBondContact OE1-ND2 2.88Å; V138-N147 CarbonylContact C-O 3.47Å; V138-N147 VanDerWaalsContact CA-O 3.25Å; V138-N147 WeakPolarHBondContact CA-O 3.46Å; V138-N147 WeakPolarHBondContact CB-O 3.43Å; V139-N147 PolarHBondContact N-O 2.92Å; V139-N147 PolarHBondContact O-N 2.81Å |
| 148 | N | 97.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 152.2 | 167.2 | -69.4 | 107.6 | 0 | 0 | 0 | 110.4 | Q121 Y122 H132 D133 P137 V138 | Q121-N148 CarbonylContact C-O 3.56Å; Q121-N148 VanDerWaalsContact CA-O 3.29Å; Q121-N148 WeakPolarHBondContact CA-O 3.2Å; Y122-N148 HydrophobicContact CD1-CB 3.9Å; Y122-N148 HydrophobicContact CD2-CB 4.01Å; Y122-N148 HydrophobicContact CE1-CB 3.42Å; Y122-N148 VanDerWaalsContact CE1-CB 3.42Å; Y122-N148 HydrophobicContact CE2-CB 3.56Å; Y122-N148 HydrophobicContact CG-CB 4.18Å; Y122-N148 PolarHBondContact N-O 2.84Å; Y122-N148 PolarHBondContact O-N 2.76Å; H132-N148 VanDerWaalsContact CA-OD1 3.27Å; H132-N148 WeakPolarHBondContact CA-OD1 3.16Å; H132-N148 VanDerWaalsContact CB-OD1 3.31Å; H132-N148 WeakPolarHBondContact CB-OD1 3.48Å; D133-N148 PolarHBondContact N-OD1 2.96Å; D133-N148 PolarHBondContact O-ND2 3.16Å; P137-N148 CarbonylContact O-C 3.53Å; P137-N148 VanDerWaalsContact O-CA 3.28Å; P137-N148 WeakPolarHBondContact O-CA 3.45Å; P137-N148 PolarHBondContact O-ND2 3.01Å; V138-N148 WeakPolarHBondContact CG1-ND2 3.21Å |
| 149 | L | 97.4 | Very high | 92.4 | Very high | 33 Ų | 33 | 69.8 Ų | 69.8 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.1 | 178.6 | -178.7 | 67.1 | 0 | 0 | 0 | 109 | E119 Q121 P137 V139 | E119-L149 HydrophobicContact CB-CD1 3.96Å; E119-L149 HydrophobicContact CG-CD1 4.33Å; Q121-L149 HydrophobicContact CG-CD1 4.18Å; P137-L149 PolarHBondContact O-N 2.94Å; V139-L149 HydrophobicContact CG1-CB 4.28Å |
| 150 | I | 96.5 | Very high | 92.1 | Very high | 34 Ų | 34 | 76 Ų | 76 | 17% | 0.174 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.6 | 170.3 | -173.2 | 163 | 0 | 0 | 0 | 109.4 | T76 L115 E119 H120 Y122 | T76-I150 HydrophobicContact CG2-CD1 3.43Å; T76-I150 VanDerWaalsContact CG2-CD1 3.43Å; T76-I150 HydrophobicContact CG2-CG1 4.45Å; L115-I150 HydrophobicContact CD1-CG2 4.35Å; E119-I150 WeakPolarHBondContact CA-O 3.34Å; H120-I150 HydrophobicContact CB-CG2 3.85Å; H120-I150 PolarHBondContact N-O 3.03Å; H120-I150 PolarHBondContact O-N 3.3Å; Y122-I150 HydrophobicContact CD1-CB 4.46Å; Y122-I150 HydrophobicContact CD1-CG2 3.99Å; Y122-I150 HydrophobicContact CE1-CB 3.93Å; Y122-I150 HydrophobicContact CE1-CG2 3.94Å |
| 151 | T | 95.8 | Very high | 91.9 | Very high | 62 Ų | 62 | 75 Ų | 75 | 38% | 0.38 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.3 | 176.5 | -54.3 | 0 | 0 | 0 | 0 | 108.5 | E119 K153 | E119-T151 HydrophobicContact CG-CG2 4.38Å; T151-K153 HydrophobicContact CG2-CG 4.06Å |
| 152 | V | 95.1 | Very high | 92 | Very high | 6 Ų | 6 | 74.3 Ų | 74.3 | 4% | 0.036 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 113.3 | 177.7 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | T76 L115 E117 G118 F157 | T76-V152 HydrophobicContact CG2-CG2 4.22Å; L115-V152 HydrophobicContact CB-CG2 4.16Å; L115-V152 HydrophobicContact CD1-CG2 4.35Å; E117-V152 WeakPolarHBondContact CA-O 3.43Å; G118-V152 PolarHBondContact N-O 2.92Å; G118-V152 PolarHBondContact O-N 2.7Å; V152-F157 HydrophobicContact CG1-CE2 3.6Å; V152-F157 HydrophobicContact CG1-CZ 3.7Å |
| 153 | K | 92.2 | Very high | 92.2 | Very high | 98 Ų | 98 | 69.3 Ų | 69.3 | 43% | 0.426 | 37% | 0.368 | S | S | . | . | trans | -108.5 | 160.6 | 179.7 | -58.8 | 175.1 | -175.2 | 165.4 | 0 | 110.9 | T151 S155 D156 F157 | T151-K153 HydrophobicContact CG2-CG 4.06Å; K153-S155 VanDerWaalsContact C-N 3.27Å; K153-S155 WeakPolarHBondContact CB-OG 3.31Å; K153-S155 PolarHBondContact O-N 3.48Å; K153-D156 WeakPolarHBondContact CB-OD2 3.3Å; K153-D156 PolarHBondContact N-OD2 3.08Å; K153-D156 PolarHBondContact O-N 3.32Å; K153-F157 VanDerWaalsContact O-CD2 3.22Å; K153-F157 WeakPolarHBondContact O-CD2 3.41Å; K153-F157 WeakPolarHBondContact O-CE2 3.35Å | ||
| 154 | K | 89.2 | Confident | 92.2 | Very high | 134 Ų | 134 | 67.5 Ų | 67.5 | 58% | 0.583 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -57.8 | -41 | 172.4 | -72.7 | -176.2 | -177.2 | -171.1 | 0 | 112.9 | R74 E117 D156 F157 | R74-K154 PolarHBondContact NH1-O 3.48Å; R74-K154 VanDerWaalsContact NH1-O 3.08Å; E117-K154 HydrophobicContact CG-CG 4.28Å; E117-K154 WeakPolarHBondContact OE1-CE 3.33Å; E117-K154 WeakPolarHBondContact OE1-CG 3.22Å; E117-K154 WeakPolarHBondContact OE2-CE 3.46Å; E117-K154 WeakPolarHBondContact OE2-CG 3.1Å; K154-D156 PolarHBondContact O-N 3.05Å; K154-F157 PolarHBondContact O-N 3.32Å |
| 155 | S | 88 | Confident | 92.1 | Very high | 21 Ų | 21 | 66.9 Ų | 66.9 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -59.3 | -27.6 | -177.9 | 48.5 | 0 | 0 | 0 | 0 | 113.2 | K153 F157 E158 A162 | K153-S155 VanDerWaalsContact C-N 3.27Å; K153-S155 WeakPolarHBondContact CB-OG 3.31Å; K153-S155 PolarHBondContact O-N 3.48Å; S155-F157 PolarHBondContact O-N 3.33Å; S155-F157 VanDerWaalsContact O-N 3.08Å; S155-E158 PolarHBondContact O-N 3.4Å; S155-E158 VanDerWaalsContact O-O 3.13Å; S155-A162 WeakPolarHBondContact O-CB 3.35Å; S155-A162 PolarHBondContact O-N 3.19Å; S155-A162 VanDerWaalsContact O-N 3.12Å |
| 156 | D | 88.9 | Confident | 91.9 | Very high | 72 Ų | 72 | 68.2 Ų | 68.2 | 39% | 0.385 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -72.3 | -8.1 | -171.2 | -51.6 | -18.6 | 0 | 0 | 0 | 112.7 | K153 K154 | K153-D156 WeakPolarHBondContact CB-OD2 3.3Å; K153-D156 PolarHBondContact N-OD2 3.08Å; K153-D156 PolarHBondContact O-N 3.32Å; K154-D156 PolarHBondContact O-N 3.05Å |
| 157 | F | 87.6 | Confident | 91.4 | Very high | 63 Ų | 63 | 67.4 Ų | 67.4 | 28% | 0.276 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -113 | -18.8 | -175.4 | -58.1 | -85.2 | 0 | 0 | 0 | 113.2 | R74 V152 K153 K154 S155 | R74-F157 HydrophobicContact CB-CD1 3.84Å; R74-F157 HydrophobicContact CB-CD2 4.39Å; R74-F157 HydrophobicContact CB-CE1 3.24Å; R74-F157 HydrophobicContact CB-CE2 3.82Å; R74-F157 HydrophobicContact CB-CG 4.37Å; R74-F157 HydrophobicContact CB-CZ 3.21Å; R74-F157 HydrophobicContact CG-CD1 4.4Å; R74-F157 HydrophobicContact CG-CD2 4.45Å; R74-F157 HydrophobicContact CG-CE1 4.2Å; R74-F157 HydrophobicContact CG-CE2 4.19Å; R74-F157 HydrophobicContact CG-CZ 4.07Å; V152-F157 HydrophobicContact CG1-CE2 3.6Å; V152-F157 HydrophobicContact CG1-CZ 3.7Å; K153-F157 VanDerWaalsContact O-CD2 3.22Å; K153-F157 WeakPolarHBondContact O-CD2 3.41Å; K153-F157 WeakPolarHBondContact O-CE2 3.35Å; K154-F157 PolarHBondContact O-N 3.32Å; S155-F157 PolarHBondContact O-N 3.33Å; S155-F157 VanDerWaalsContact O-N 3.08Å |
| 158 | E | 90.9 | Very high | 90.7 | Very high | 114 Ų | 114 | 72 Ų | 72 | 53% | 0.533 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -93.9 | 113.8 | 170.5 | -69.1 | -56.4 | 148 | 0 | 0 | 108.2 | S155 F160 D161 A162 | S155-E158 PolarHBondContact O-N 3.4Å; S155-E158 VanDerWaalsContact O-O 3.13Å; E158-F160 PolarHBondContact O-N 3.03Å; E158-F160 VanDerWaalsContact O-N 3.14Å; E158-D161 HydrophobicContact CB-CB 3.98Å; E158-D161 PolarHBondContact O-N 3.4Å; E158-A162 PolarHBondContact O-N 3.06Å |
| 159 | V | 90.7 | Very high | 89.9 | Confident | 100 Ų | 100 | 79.1 Ų | 79.1 | 61% | 0.606 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -55.8 | -39.7 | -169.8 | 176.8 | 0 | 0 | 0 | 0 | 112.1 | L163 | V159-L163 HydrophobicContact CG1-CD1 3.95Å; V159-L163 HydrophobicContact CG1-CG 4.46Å; V159-L163 WeakPolarHBondContact O-CB 3.47Å; V159-L163 WeakPolarHBondContact O-CG 3.48Å; V159-L163 PolarHBondContact O-N 3.06Å |
| 160 | F | 90.8 | Very high | 88.6 | Confident | 173 Ų | 173 | 83.1 Ų | 83.1 | 76% | 0.759 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -70.2 | -37.6 | 179.2 | -64.5 | -65.3 | 0 | 0 | 0 | 112.6 | E158 Q164 | E158-F160 PolarHBondContact O-N 3.03Å; E158-F160 VanDerWaalsContact O-N 3.14Å; F160-Q164 WeakPolarHBondContact O-CB 3.26Å; F160-Q164 PolarHBondContact O-N 3.1Å |
| 161 | D | 90.8 | Very high | 86.8 | Confident | 75 Ų | 75 | 82.7 Ų | 82.7 | 40% | 0.401 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -71.1 | -42.7 | 179.1 | -66.2 | -8.4 | 0 | 0 | 0 | 110.5 | E158 Q164 V165 | E158-D161 HydrophobicContact CB-CB 3.98Å; E158-D161 PolarHBondContact O-N 3.4Å; D161-Q164 WeakPolarHBondContact O-CB 3.39Å; D161-Q164 PolarHBondContact O-N 3.31Å; D161-V165 WeakPolarHBondContact O-CG2 3.36Å; D161-V165 PolarHBondContact O-N 3.31Å |
| 162 | A | 91.1 | Very high | 84.8 | Confident | 21 Ų | 21 | 86.4 Ų | 86.4 | 17% | 0.174 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -58.6 | -50.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S155 E158 Q164 V165 D166 | S155-A162 WeakPolarHBondContact O-CB 3.35Å; S155-A162 PolarHBondContact O-N 3.19Å; S155-A162 VanDerWaalsContact O-N 3.12Å; E158-A162 PolarHBondContact O-N 3.06Å; A162-Q164 VanDerWaalsContact C-N 3.27Å; A162-Q164 PolarHBondContact O-N 2.95Å; A162-V165 PolarHBondContact O-N 2.95Å; A162-D166 PolarHBondContact O-N 3.32Å |
| 163 | L | 90.4 | Very high | 82.8 | Confident | 102 Ų | 102 | 90.2 Ų | 90.2 | 53% | 0.534 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 177.4 | -73.1 | 173.5 | 0 | 0 | 0 | 112.4 | V159 S167 | V159-L163 HydrophobicContact CG1-CD1 3.95Å; V159-L163 HydrophobicContact CG1-CG 4.46Å; V159-L163 WeakPolarHBondContact O-CB 3.47Å; V159-L163 WeakPolarHBondContact O-CG 3.48Å; V159-L163 PolarHBondContact O-N 3.06Å; L163-S167 VanDerWaalsContact O-CB 3.26Å; L163-S167 WeakPolarHBondContact O-CB 3.45Å; L163-S167 PolarHBondContact O-N 2.93Å; L163-S167 PolarHBondContact O-OG 3.31Å |
| 164 | Q | 88.3 | Confident | 80.9 | Confident | 119 Ų | 119 | 88.6 Ų | 88.6 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.7 | -46.6 | 175.8 | -175.3 | 175.7 | 18.5 | 0 | 0 | 111.1 | F160 D161 A162 S167 L168 | F160-Q164 WeakPolarHBondContact O-CB 3.26Å; F160-Q164 PolarHBondContact O-N 3.1Å; D161-Q164 WeakPolarHBondContact O-CB 3.39Å; D161-Q164 PolarHBondContact O-N 3.31Å; A162-Q164 VanDerWaalsContact C-N 3.27Å; A162-Q164 PolarHBondContact O-N 2.95Å; Q164-S167 PolarHBondContact O-N 3.2Å; Q164-S167 PolarHBondContact O-OG 2.97Å; Q164-L168 WeakPolarHBondContact O-CG 3.44Å; Q164-L168 PolarHBondContact O-N 3.04Å |
| 165 | V | 87.2 | Confident | 79.2 | Confident | 43 Ų | 43 | 86.4 Ų | 86.4 | 26% | 0.261 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 177.2 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | D161 A162 S167 L168 E169 | D161-V165 WeakPolarHBondContact O-CG2 3.36Å; D161-V165 PolarHBondContact O-N 3.31Å; A162-V165 PolarHBondContact O-N 2.95Å; V165-S167 VanDerWaalsContact C-N 3.27Å; V165-S167 PolarHBondContact O-N 3.23Å; V165-L168 WeakPolarHBondContact O-CB 3.2Å; V165-L168 PolarHBondContact O-N 2.9Å; V165-E169 PolarHBondContact O-N 3.32Å; V165-E169 VanDerWaalsContact O-N 3.1Å |
| 166 | D | 87.3 | Confident | 77.5 | Confident | 88 Ų | 88 | 92.3 Ų | 92.3 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.5 | -38.1 | 178.8 | -70.5 | -7.5 | 0 | 0 | 0 | 111.9 | A162 L168 E169 C170 | A162-D166 PolarHBondContact O-N 3.32Å; D166-L168 VanDerWaalsContact C-N 3.28Å; D166-L168 PolarHBondContact O-N 3.12Å; D166-E169 PolarHBondContact O-N 3.41Å; D166-C170 WeakPolarHBondContact O-CB 3.21Å; D166-C170 PolarHBondContact O-N 3.08Å; D166-C170 PolarHBondContact O-SG 3.41Å |
| 167 | S | 86.7 | Confident | 75.8 | Confident | 50 Ų | 50 | 94.4 Ų | 94.4 | 35% | 0.35 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.7 | -33.4 | 177.7 | 75.9 | 0 | 0 | 0 | 0 | 112.5 | L163 Q164 V165 S171 | L163-S167 VanDerWaalsContact O-CB 3.26Å; L163-S167 WeakPolarHBondContact O-CB 3.45Å; L163-S167 PolarHBondContact O-N 2.93Å; L163-S167 PolarHBondContact O-OG 3.31Å; Q164-S167 PolarHBondContact O-N 3.2Å; Q164-S167 PolarHBondContact O-OG 2.97Å; V165-S167 VanDerWaalsContact C-N 3.27Å; V165-S167 PolarHBondContact O-N 3.23Å; S167-S171 VanDerWaalsContact O-CB 3.3Å; S167-S171 WeakPolarHBondContact O-CB 3.22Å; S167-S171 PolarHBondContact O-OG 3.45Å |
| 168 | L | 83.4 | Confident | 74.3 | Confident | 105 Ų | 105 | 93.9 Ų | 93.9 | 55% | 0.55 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -75.9 | -32.8 | 177.3 | -66.1 | 172 | 0 | 0 | 0 | 112.1 | Q164 V165 D166 S171 T173 | Q164-L168 WeakPolarHBondContact O-CG 3.44Å; Q164-L168 PolarHBondContact O-N 3.04Å; V165-L168 WeakPolarHBondContact O-CB 3.2Å; V165-L168 PolarHBondContact O-N 2.9Å; D166-L168 VanDerWaalsContact C-N 3.28Å; D166-L168 PolarHBondContact O-N 3.12Å; L168-S171 WeakPolarHBondContact CA-OG 3.12Å; L168-S171 PolarHBondContact O-OG 3.24Å; L168-T173 HydrophobicContact CD2-CG2 4.08Å |
| 169 | E | 80.1 | Confident | 73.2 | Confident | 148 Ų | 148 | 94.1 Ų | 94.1 | 69% | 0.692 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.6 | -30.2 | 175.5 | -68 | -169.4 | 174.9 | 0 | 0 | 112.3 | V165 D166 S171 | V165-E169 PolarHBondContact O-N 3.32Å; V165-E169 VanDerWaalsContact O-N 3.1Å; D166-E169 PolarHBondContact O-N 3.41Å; E169-S171 VanDerWaalsContact C-N 3.27Å; E169-S171 PolarHBondContact O-N 3.38Å |
| 170 | C | 70.4 | Confident | 72.3 | Confident | 117 Ų | 117 | 92.4 Ų | 92.4 | 79% | 0.791 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -0.6 | 178 | -69.3 | 0 | 0 | 0 | 0 | 114.5 | D166 | D166-C170 WeakPolarHBondContact O-CB 3.21Å; D166-C170 PolarHBondContact O-N 3.08Å; D166-C170 PolarHBondContact O-SG 3.41Å |
| 171 | S | 57.1 | Low | 71.3 | Confident | 26 Ų | 26 | 87.5 Ų | 87.5 | 18% | 0.182 | 51% | 0.514 | C | S | . | . | trans | -129.9 | 121.1 | -166.8 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | S167 L168 E169 T173 | S167-S171 VanDerWaalsContact O-CB 3.3Å; S167-S171 WeakPolarHBondContact O-CB 3.22Å; S167-S171 PolarHBondContact O-OG 3.45Å; L168-S171 WeakPolarHBondContact CA-OG 3.12Å; L168-S171 PolarHBondContact O-OG 3.24Å; E169-S171 VanDerWaalsContact C-N 3.27Å; E169-S171 PolarHBondContact O-N 3.38Å; S171-T173 VanDerWaalsContact CB-N 3.33Å; S171-T173 PolarHBondContact O-N 3.14Å; S171-T173 WeakPolarHBondContact OG-CG2 3.05Å | ||
| 172 | D | 53.9 | Low | 70.5 | Confident | 139 Ų | 139 | 85.7 Ų | 85.7 | 74% | 0.743 | 51% | 0.513 | S | S | * | . | 11.5 | 51.3 | 61.9 | -123.2 | 4.4 | 0 | 0 | 0 | 113.6 | S174 | D172-S174 PolarHBondContact O-N 3.08Š| |||
| 173 | T | 54.2 | Low | 70.2 | Confident | 86 Ų | 86 | 90.9 Ų | 90.9 | 53% | 0.528 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -63.2 | -1.3 | -176.9 | 39.9 | 0 | 0 | 0 | 0 | 114 | L168 S171 D175 | L168-T173 HydrophobicContact CD2-CG2 4.08Å; S171-T173 VanDerWaalsContact CB-N 3.33Å; S171-T173 PolarHBondContact O-N 3.14Å; S171-T173 WeakPolarHBondContact OG-CG2 3.05Å; T173-D175 PolarHBondContact O-N 2.87Å |
| 174 | S | 52.8 | Low | 69.9 | Low | 65 Ų | 65 | 95.4 Ų | 95.4 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -66.7 | -20.1 | 178.4 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | D172 | D172-S174 PolarHBondContact O-N 3.08Š|
| 175 | D | 52 | Low | 69.8 | Low | 88 Ų | 88 | 93 Ų | 93 | 47% | 0.471 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -102.3 | -7.8 | -162.3 | -69.7 | 6.3 | 0 | 0 | 0 | 114.9 | T173 P181 | T173-D175 PolarHBondContact O-N 2.87Å; D175-P181 HydrophobicContact CB-CG 4.18Å; D175-P181 WeakPolarHBondContact OD1-CB 3.2Å |
| 176 | L | 52.9 | Low | 69.9 | Low | 144 Ų | 144 | 100.6 Ų | 100.6 | 75% | 0.754 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -106.2 | -9.9 | -174.1 | -61.3 | -176.8 | 0 | 0 | 0 | 114.9 | ||
| 177 | S | 53 | Low | 70 | Confident | 117 Ų | 117 | 105.3 Ų | 105.3 | 82% | 0.818 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -94.7 | -18.7 | -176.3 | -165.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 178 | S | 55.8 | Low | 69.9 | Low | 52 Ų | 52 | 111.3 Ų | 111.3 | 36% | 0.364 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -155 | 133.7 | 170.6 | 53.6 | 0 | 0 | 0 | 0 | 109.8 | P180 P181 | S178-P180 CarbonylContact C-O 3.53Å; S178-P180 CarbonylContact O-C 3.59Å; S178-P180 PolarHBondContact OG-O 2.9Å; S178-P180 VanDerWaalsContact OG-O 3.11Å; S178-P181 WeakPolarHBondContact O-CA 2.83Å; S178-P181 VanDerWaalsContact O-N 3.08Å |
| 179 | S | 67.9 | Low | 69.9 | Low | 119 Ų | 119 | 113.7 Ų | 113.7 | 83% | 0.832 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -96.6 | 117.8 | 158.1 | -175.1 | 0 | 0 | 0 | 0 | 106.8 | ||
| 180 | P | 72.5 | Confident | 70 | Confident | 63 Ų | 63 | 113.2 Ų | 113.2 | 41% | 0.409 | 64% | 0.641 | S | S | . | * | S | Bend | cis | -78.1 | 152.3 | 4.4 | 30.7 | -32.3 | 0 | 0 | 0 | 113.9 | S178 Y184 | S178-P180 CarbonylContact C-O 3.53Å; S178-P180 CarbonylContact O-C 3.59Å; S178-P180 PolarHBondContact OG-O 2.9Å; S178-P180 VanDerWaalsContact OG-O 3.11Å; P180-Y184 HydrophobicContact CG-CE1 4.19Å |
| 181 | P | 69.8 | Low | 70.3 | Confident | 70 Ų | 70 | 113.3 Ų | 113.3 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -58.4 | 138.9 | 171.7 | -24.8 | 34.4 | 0 | 0 | 0 | 111.8 | D175 S178 | D175-P181 HydrophobicContact CB-CG 4.18Å; D175-P181 WeakPolarHBondContact OD1-CB 3.2Å; S178-P181 WeakPolarHBondContact O-CA 2.83Å; S178-P181 VanDerWaalsContact O-N 3.08Å |
| 182 | G | 74.5 | Confident | 71.2 | Confident | 37 Ų | 37 | 119.6 Ų | 119.6 | 38% | 0.381 | 65% | 0.648 | S | S | . | * | S | Bend | trans | 85.2 | 173.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 183 | P | 83.1 | Confident | 71.9 | Confident | 131 Ų | 131 | 116.9 Ų | 116.9 | 85% | 0.851 | 64% | 0.638 | S | S | * | * | trans | -70.4 | 148.7 | 179.9 | 29.8 | -34.4 | 0 | 0 | 0 | 111.4 | G185 | P183-G185 PolarHBondContact O-N 3.29Š| ||
| 184 | Y | 85.2 | Confident | 72.7 | Confident | 197 Ų | 197 | 120.3 Ų | 120.3 | 77% | 0.773 | 65% | 0.648 | S | S | * | * | trans | -64.4 | 121.2 | 168.1 | -71.3 | -87.2 | 0 | 0 | 0 | 109.9 | P180 | P180-Y184 HydrophobicContact CG-CE1 4.19Š| ||
| 185 | G | 85.8 | Confident | 73.4 | Confident | 68 Ų | 68 | 121.1 Ų | 121.1 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | trans | -116.5 | 161.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P183 | P183-G185 PolarHBondContact O-N 3.29Š| ||
| 186 | Q | 90.4 | Very high | 73.8 | Confident | 203 Ų | 203 | 121.6 Ų | 121.6 | 95% | 0.949 | 64% | 0.644 | S | S | * | * | trans | -102.5 | 1.4 | 169.1 | -65.4 | -177 | -7.5 | 0 | 0 | 112.1 | Q188 | Q186-Q188 PolarHBondContact O-N 2.99Š| ||
| 187 | E | 87.6 | Confident | 74 | Confident | 186 Ų | 186 | 123.7 Ų | 123.7 | 87% | 0.869 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -64.8 | 131.3 | 179.4 | -62 | -170.6 | 171.5 | 0 | 0 | 109.7 | Y189 | E187-Y189 PolarHBondContact O-N 2.6Š|
| 188 | Q | 84.9 | Confident | 74.9 | Confident | 177 Ų | 177 | 127.8 Ų | 127.8 | 83% | 0.827 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 128.9 | 175.8 | -177.4 | 178.6 | -28.6 | 0 | 0 | 108.7 | Q186 I190 | Q186-Q188 PolarHBondContact O-N 2.99Å; Q188-I190 PolarHBondContact O-N 3.07Å; Q188-I190 VanDerWaalsContact O-N 3.14Å |
| 189 | Y | 83.2 | Confident | 76.2 | Confident | 154 Ų | 154 | 129.4 Ų | 129.4 | 60% | 0.604 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 119.7 | 173.7 | -179.1 | -105.7 | 0 | 0 | 0 | 110.3 | E187 E195 | E187-Y189 PolarHBondContact O-N 2.6Å; Y189-E195 PolarHBondContact OH-OE1 3.17Å; Y189-E195 PolarHBondContact OH-OE2 3.22Å |
| 190 | I | 82.6 | Confident | 77.2 | Confident | 138 Ų | 138 | 129.1 Ų | 129.1 | 71% | 0.708 | 66% | 0.662 | S | S | * | * | trans | -89.9 | 109.7 | 175.6 | -58.4 | 174.1 | 0 | 0 | 0 | 107.1 | Q188 R192 | Q188-I190 PolarHBondContact O-N 3.07Å; Q188-I190 VanDerWaalsContact O-N 3.14Å; I190-R192 PolarHBondContact O-N 3.21Å | ||
| 191 | F | 76.6 | Confident | 78.2 | Confident | 120 Ų | 120 | 132 Ų | 132 | 53% | 0.526 | 68% | 0.681 | S | S | . | * | trans | -58.8 | 123 | 177.6 | -177 | -84.5 | 0 | 0 | 0 | 110.8 | H196 | F191-H196 AromaticContact CE1-CE1 3.26Å; F191-H196 WeakPolarHBondContact CE1-CE1 2.91Å; F191-H196 AromaticContact CE1-ND1 3.21Å; F191-H196 WeakPolarHBondContact CE1-ND1 3.4Å; F191-H196 AromaticContact CZ-CE1 3.62Å; F191-H196 AromaticContact CZ-ND1 3.2Å; F191-H196 WeakPolarHBondContact CZ-ND1 3.38Å | ||
| 192 | R | 76.8 | Confident | 79.4 | Confident | 158 Ų | 158 | 136.3 Ų | 136.3 | 60% | 0.596 | 70% | 0.699 | S | S | * | * | trans | -94.1 | 131 | 175.8 | -59.9 | -178.4 | 173.4 | 156.6 | -1.3 | 110.3 | I190 E194 E195 | I190-R192 PolarHBondContact O-N 3.21Å; R192-E194 PolarHBondContact O-N 3.12Å; R192-E194 VanDerWaalsContact O-N 3.09Å; R192-E195 HydrophobicContact CB-CG 3.99Å; R192-E195 WeakPolarHBondContact CB-OE2 3.36Å; R192-E195 PolarHBondContact N-OE2 3.3Å; R192-E195 WeakPolarHBondContact O-CB 2.89Å; R192-E195 PolarHBondContact O-N 3.36Å | ||
| 193 | P | 68.4 | Low | 80.5 | Confident | 81 Ų | 81 | 139.2 Ų | 139.2 | 53% | 0.526 | 71% | 0.705 | S | S | . | * | G | 310 helix | trans | -56.6 | -23.8 | 176.9 | -24 | 33.7 | 0 | 0 | 0 | 114.1 | E195 H196 | P193-E195 VanDerWaalsContact C-N 3.3Å; P193-H196 WeakPolarHBondContact O-CB 3.47Å; P193-H196 PolarHBondContact O-CD2 3.43Å; P193-H196 PolarHBondContact O-ND1 3.16Å |
| 194 | E | 71.3 | Confident | 81.2 | Confident | 159 Ų | 159 | 136 Ų | 136 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -74.9 | -18.2 | 177.1 | -59.8 | 71.3 | -151.9 | 0 | 0 | 113 | R192 H196 | R192-E194 PolarHBondContact O-N 3.12Å; R192-E194 VanDerWaalsContact O-N 3.09Å; E194-H196 PolarHBondContact O-N 3.12Å |
| 195 | E | 67.9 | Low | 81.8 | Confident | 82 Ų | 82 | 130.7 Ų | 130.7 | 38% | 0.383 | 67% | 0.673 | S | S | . | * | G | 310 helix | trans | -84.7 | 14.4 | 177 | -63.8 | 166.4 | 149.8 | 0 | 0 | 112.2 | Y189 R192 P193 | Y189-E195 PolarHBondContact OH-OE1 3.17Å; Y189-E195 PolarHBondContact OH-OE2 3.22Å; R192-E195 HydrophobicContact CB-CG 3.99Å; R192-E195 WeakPolarHBondContact CB-OE2 3.36Å; R192-E195 PolarHBondContact N-OE2 3.3Å; R192-E195 WeakPolarHBondContact O-CB 2.89Å; R192-E195 PolarHBondContact O-N 3.36Å; P193-E195 VanDerWaalsContact C-N 3.3Å |
| 196 | H | 59.3 | Low | 82.3 | Confident | 98 Ų | 98 | 131.5 Ų | 131.5 | 45% | 0.454 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.2 | 130.7 | -171 | -99.5 | 11 | 0 | 0 | 0 | 114.8 | F191 P193 E194 | F191-H196 AromaticContact CE1-CE1 3.26Å; F191-H196 WeakPolarHBondContact CE1-CE1 2.91Å; F191-H196 AromaticContact CE1-ND1 3.21Å; F191-H196 WeakPolarHBondContact CE1-ND1 3.4Å; F191-H196 AromaticContact CZ-CE1 3.62Å; F191-H196 AromaticContact CZ-ND1 3.2Å; F191-H196 WeakPolarHBondContact CZ-ND1 3.38Å; P193-H196 WeakPolarHBondContact O-CB 3.47Å; P193-H196 PolarHBondContact O-CD2 3.43Å; P193-H196 PolarHBondContact O-ND1 3.16Å; E194-H196 PolarHBondContact O-N 3.12Å |
| 197 | F | 56.9 | Low | 82.6 | Confident | 187 Ų | 187 | 123.2 Ų | 123.2 | 82% | 0.82 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.7 | 34.7 | 159 | -50.7 | -69.2 | 0 | 0 | 0 | 120.6 | ||
| 198 | K | 72.3 | Confident | 83.1 | Confident | 203 Ų | 203 | 120 Ų | 120 | 88% | 0.883 | 61% | 0.609 | S | S | * | * | trans | -91.3 | 105.5 | 155.1 | -64.3 | -169.2 | -176.7 | -179.4 | 0 | 108.9 | ||||
| 199 | A | 83.3 | Confident | 83.5 | Confident | 86 Ų | 86 | 116.2 Ų | 116.2 | 71% | 0.711 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 146.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 200 | P | 88.8 | Confident | 84 | Confident | 113 Ų | 113 | 110.4 Ų | 110.4 | 73% | 0.734 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 147.8 | 175.6 | 25.2 | -34.1 | 0 | 0 | 0 | 109.7 | I202 | P200-I202 PolarHBondContact O-N 3.11Š|
| 201 | P | 92.9 | Very high | 84.7 | Confident | 124 Ų | 124 | 104.2 Ų | 104.2 | 81% | 0.805 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 142.4 | 179.8 | 25.2 | -33.8 | 0 | 0 | 0 | 110.4 | L203 | P201-L203 PolarHBondContact O-N 3.39Š|
| 202 | I | 96.5 | Very high | 85.6 | Confident | 161 Ų | 161 | 101.6 Ų | 101.6 | 83% | 0.826 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -63 | 136.7 | 175.9 | -59.4 | 170.3 | 0 | 0 | 0 | 108.6 | P200 P204 | P200-I202 PolarHBondContact O-N 3.11Å; I202-P204 VanDerWaalsContact O-CD 3.31Å; I202-P204 WeakPolarHBondContact O-CD 2.97Å |
| 203 | L | 96.6 | Very high | 86.4 | Confident | 98 Ų | 98 | 100 Ų | 100 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 121.4 | 177.1 | 179.1 | 66.8 | 0 | 0 | 0 | 110.5 | P201 L207 L208 | P201-L203 PolarHBondContact O-N 3.39Å; L203-L207 HydrophobicContact CD1-CB 4.3Å; L203-L207 HydrophobicContact CD1-CD1 3.93Å; L203-L208 HydrophobicContact CD2-CD2 3.7Å; L203-L208 HydrophobicContact CD2-CG 4.2Å |
| 204 | P | 97.5 | Very high | 87.6 | Confident | 62 Ų | 62 | 100.8 Ų | 100.8 | 40% | 0.403 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 127.3 | 175 | -24.2 | 34.9 | 0 | 0 | 0 | 110.7 | I202 H206 L207 | I202-P204 VanDerWaalsContact O-CD 3.31Å; I202-P204 WeakPolarHBondContact O-CD 2.97Å; P204-H206 PolarHBondContact O-N 2.92Å; P204-L207 PolarHBondContact O-N 2.69Å |
| 205 | P | 97.4 | Very high | 88.5 | Confident | 86 Ų | 86 | 101.2 Ų | 101.2 | 56% | 0.558 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -63.9 | -19 | -174.4 | 24.9 | -35 | 0 | 0 | 0 | 113.4 | L207 L208 | P205-L207 PolarHBondContact O-N 2.99Å; P205-L208 WeakPolarHBondContact O-CB 3.48Å; P205-L208 PolarHBondContact O-N 3.27Å; P205-L208 VanDerWaalsContact O-N 3.08Å |
| 206 | H | 97.3 | Very high | 89.6 | Confident | 85 Ų | 85 | 100.2 Ų | 100.2 | 39% | 0.394 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -58.7 | -33.2 | 174 | -60.8 | 94.6 | 0 | 0 | 0 | 112.8 | P204 L208 Q209 | P204-H206 PolarHBondContact O-N 2.92Å; H206-L208 PolarHBondContact O-N 3.3Å; H206-Q209 PolarHBondContact O-N 3.11Å |
| 207 | L | 97.2 | Very high | 91 | Very high | 29 Ų | 29 | 100.5 Ų | 100.5 | 15% | 0.152 | 54% | 0.541 | C | S | . | . | G | 310 helix | trans | -73.3 | -11.4 | 178.7 | -59.8 | -175.9 | 0 | 0 | 0 | 112.9 | L203 P204 P205 Q209 M232 H235 Y237 | L203-L207 HydrophobicContact CD1-CB 4.3Å; L203-L207 HydrophobicContact CD1-CD1 3.93Å; P204-L207 PolarHBondContact O-N 2.69Å; P205-L207 PolarHBondContact O-N 2.99Å; L207-Q209 VanDerWaalsContact C-N 3.34Å; L207-M232 HydrophobicContact CD2-CB 4.43Å; L207-H235 HydrophobicContact CD2-CB 4.43Å; L207-Y237 WeakPolarHBondContact O-CE1 3.44Å; L207-Y237 PolarHBondContact O-OH 3.14Å |
| 208 | L | 96.6 | Very high | 92.6 | Very high | 118 Ų | 118 | 98.7 Ų | 98.7 | 62% | 0.618 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -83.7 | -12.6 | 174.3 | -59.1 | 174.3 | 0 | 0 | 0 | 112.3 | L203 P205 H206 V210 | L203-L208 HydrophobicContact CD2-CD2 3.7Å; L203-L208 HydrophobicContact CD2-CG 4.2Å; P205-L208 WeakPolarHBondContact O-CB 3.48Å; P205-L208 PolarHBondContact O-N 3.27Å; P205-L208 VanDerWaalsContact O-N 3.08Å; H206-L208 PolarHBondContact O-N 3.3Å; L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 3.42Å; L208-V210 VanDerWaalsContact O-N 3.07Å |
| 209 | Q | 93.9 | Very high | 93.6 | Very high | 98 Ų | 98 | 93.8 Ų | 93.8 | 46% | 0.458 | 54% | 0.536 | S | S | . | . | trans | -86.7 | 65.6 | -176.7 | -61.2 | -175.8 | 4.9 | 0 | 0 | 112.2 | H206 L207 I211 M232 | H206-Q209 PolarHBondContact O-N 3.11Å; L207-Q209 VanDerWaalsContact C-N 3.34Å; Q209-I211 PolarHBondContact O-N 3.33Å; Q209-M232 WeakPolarHBondContact O-CE 3.45Å | ||
| 210 | V | 94.8 | Very high | 94 | Very high | 33 Ų | 33 | 92 Ų | 92 | 20% | 0.2 | 52% | 0.519 | C | S | . | . | trans | -58.6 | 119.9 | -175.9 | -171 | 0 | 0 | 0 | 0 | 111.8 | L208 L212 N213 Y237 | L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 3.42Å; L208-V210 VanDerWaalsContact O-N 3.07Å; V210-L212 VanDerWaalsContact C-N 3.31Å; V210-L212 HydrophobicContact CG1-CB 4.37Å; V210-L212 PolarHBondContact O-N 3.14Å; V210-N213 HydrophobicContact CB-CB 4.11Å; V210-N213 HydrophobicContact CG1-CB 4.45Å; V210-N213 PolarHBondContact O-N 3.33Å; V210-N213 VanDerWaalsContact O-N 3.17Å; V210-Y237 HydrophobicContact CB-CD1 4.41Å; V210-Y237 HydrophobicContact CB-CE1 4.39Å; V210-Y237 HydrophobicContact CG1-CD1 4.02Å; V210-Y237 HydrophobicContact CG1-CE1 4.41Å; V210-Y237 HydrophobicContact CG1-CG 4.41Å; V210-Y237 HydrophobicContact CG2-CD1 3.78Å; V210-Y237 HydrophobicContact CG2-CE1 3.76Å | ||
| 211 | I | 95.6 | Very high | 94.3 | Very high | 7 Ų | 7 | 91.1 Ų | 91.1 | 4% | 0.036 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -63.5 | -34.6 | -177.2 | -171.3 | 166.2 | 0 | 0 | 0 | 113.1 | Q209 N213 K214 L225 P226 P228 M232 | Q209-I211 PolarHBondContact O-N 3.33Å; I211-N213 VanDerWaalsContact C-N 3.26Å; I211-N213 PolarHBondContact O-N 3.41Å; I211-K214 PolarHBondContact O-N 3.17Å; I211-L225 HydrophobicContact CD1-CB 4.02Å; I211-L225 HydrophobicContact CD1-CD1 4.44Å; I211-L225 HydrophobicContact CG1-CB 4.32Å; I211-P226 HydrophobicContact CD1-CG 4.34Å; I211-P226 VanDerWaalsContact CD1-O 3.24Å; I211-P226 WeakPolarHBondContact CD1-O 3.4Å; I211-P226 HydrophobicContact CG1-CG 4.06Å; I211-P228 HydrophobicContact CD1-CB 3.96Å; I211-M232 HydrophobicContact CB-CE 4.42Å; I211-M232 HydrophobicContact CB-SD 4.3Å |
| 212 | L | 95.8 | Very high | 94.3 | Very high | 66 Ų | 66 | 90.9 Ų | 90.9 | 35% | 0.346 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -74.7 | -14 | 179.3 | -64.9 | 175.9 | 0 | 0 | 0 | 113.5 | V210 L225 T260 L262 | V210-L212 VanDerWaalsContact C-N 3.31Å; V210-L212 HydrophobicContact CG1-CB 4.37Å; V210-L212 PolarHBondContact O-N 3.14Å; L212-L225 HydrophobicContact CD2-CD1 3.91Å; L212-L225 HydrophobicContact CD2-CD2 4.23Å; L212-T260 HydrophobicContact CD1-CG2 3.99Å; L212-T260 HydrophobicContact CD2-CG2 3.91Å; L212-T260 HydrophobicContact CG-CG2 4.03Å; L212-L262 HydrophobicContact CD1-CD1 3.95Å; L212-L262 HydrophobicContact CD1-CD2 4.36Å; L212-L262 HydrophobicContact CD1-CG 4.23Å; L212-L262 HydrophobicContact CD2-CD1 4.34Å |
| 213 | N | 95 | Very high | 94.2 | Very high | 123 Ų | 123 | 87.1 Ų | 87.1 | 66% | 0.658 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -93.4 | 2.3 | 175.9 | -66.1 | -3.9 | 0 | 0 | 0 | 112.2 | V210 I211 | V210-N213 HydrophobicContact CB-CB 4.11Å; V210-N213 HydrophobicContact CG1-CB 4.45Å; V210-N213 PolarHBondContact O-N 3.33Å; V210-N213 VanDerWaalsContact O-N 3.17Å; I211-N213 VanDerWaalsContact C-N 3.26Å; I211-N213 PolarHBondContact O-N 3.41Å |
| 214 | K | 92.1 | Very high | 94.2 | Very high | 99 Ų | 99 | 87.3 Ų | 87.3 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -90.5 | 130.1 | 177.3 | -64.7 | -174.8 | 178.9 | -177.1 | 0 | 109.4 | I211 P226 | I211-K214 PolarHBondContact O-N 3.17Å; K214-P226 HydrophobicContact CD-CG 4.29Å |
| 215 | D | 91.3 | Very high | 94.1 | Very high | 168 Ų | 168 | 87.7 Ų | 87.7 | 90% | 0.898 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -67 | 134.8 | 172.1 | -62.8 | -48.8 | 0 | 0 | 0 | 110.5 | ||
| 216 | T | 90.6 | Very high | 94 | Very high | 60 Ų | 60 | 86.2 Ų | 86.2 | 37% | 0.368 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -98.3 | 156.4 | 171.5 | 55 | 0 | 0 | 0 | 0 | 109.9 | V218 | T216-V218 PolarHBondContact O-N 2.99Š|
| 217 | N | 88.9 | Confident | 93.9 | Very high | 105 Ų | 105 | 89.5 Ų | 89.5 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 132.5 | 179.1 | -171.4 | -17.3 | 0 | 0 | 0 | 109.6 | S219 C220 | N217-S219 VanDerWaalsContact CG-OG 3.31Å; N217-S219 PolarHBondContact ND2-OG 3.01Å; N217-S219 PolarHBondContact O-N 3.36Å; N217-S219 PolarHBondContact OD1-N 3.4Å; N217-S219 PolarHBondContact OD1-OG 2.96Å; N217-C220 PolarHBondContact O-N 2.96Å; N217-C220 PolarHBondContact O-SG 2.99Å |
| 218 | V | 90 | Very high | 93.9 | Very high | 148 Ų | 148 | 88.8 Ų | 88.8 | 90% | 0.897 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -17.9 | 178.4 | -63.4 | 0 | 0 | 0 | 0 | 114 | T216 | T216-V218 PolarHBondContact O-N 2.99Š|
| 219 | S | 93.3 | Very high | 94 | Very high | 100 Ų | 100 | 86 Ų | 86 | 70% | 0.699 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -12.8 | 177.7 | 69.9 | 0 | 0 | 0 | 0 | 114.9 | N217 | N217-S219 VanDerWaalsContact CG-OG 3.31Å; N217-S219 PolarHBondContact ND2-OG 3.01Å; N217-S219 PolarHBondContact O-N 3.36Å; N217-S219 PolarHBondContact OD1-N 3.4Å; N217-S219 PolarHBondContact OD1-OG 2.96Å |
| 220 | C | 91.8 | Very high | 94.1 | Very high | 50 Ų | 50 | 87.6 Ų | 87.6 | 34% | 0.338 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -97.3 | 163.6 | -179.4 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | N217 | N217-C220 PolarHBondContact O-N 2.96Å; N217-C220 PolarHBondContact O-SG 2.99Å |
| 221 | D | 94.5 | Very high | 94.3 | Very high | 94 Ų | 94 | 88.8 Ų | 88.8 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | trans | -57.7 | 129.1 | 174.4 | 177.7 | -18.4 | 0 | 0 | 0 | 110.5 | A223 L224 | D221-A223 PolarHBondContact O-N 3.31Å; D221-A223 VanDerWaalsContact O-N 3.13Å; D221-A223 WeakPolarHBondContact OD1-CB 3.36Å; D221-A223 PolarHBondContact OD1-N 3.2Å; D221-L224 HydrophobicContact CB-CD1 3.83Å; D221-L224 HydrophobicContact CB-CG 3.9Å; D221-L224 WeakPolarHBondContact O-CB 3.5Å; D221-L224 PolarHBondContact O-N 3.36Å | ||
| 222 | P | 93.6 | Very high | 94.3 | Very high | 118 Ų | 118 | 88.8 Ų | 88.8 | 77% | 0.766 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.4 | 179.4 | -25.7 | 34.5 | 0 | 0 | 0 | 115.5 | L224 | P222-L224 VanDerWaalsContact C-N 3.31Š|
| 223 | A | 94.6 | Very high | 94.4 | Very high | 83 Ų | 83 | 86.3 Ų | 86.3 | 69% | 0.686 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -11 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D221 | D221-A223 PolarHBondContact O-N 3.31Å; D221-A223 VanDerWaalsContact O-N 3.13Å; D221-A223 WeakPolarHBondContact OD1-CB 3.36Å; D221-A223 PolarHBondContact OD1-N 3.2Å |
| 224 | L | 95.6 | Very high | 94.6 | Very high | 102 Ų | 102 | 86.1 Ų | 86.1 | 53% | 0.534 | 49% | 0.487 | S | S | . | . | trans | -83.3 | 132.7 | 178.9 | -65.3 | 176.1 | 0 | 0 | 0 | 111.1 | D221 P222 | D221-L224 HydrophobicContact CB-CD1 3.83Å; D221-L224 HydrophobicContact CB-CG 3.9Å; D221-L224 WeakPolarHBondContact O-CB 3.5Å; D221-L224 PolarHBondContact O-N 3.36Å; P222-L224 VanDerWaalsContact C-N 3.31Å | ||
| 225 | L | 96.1 | Very high | 94.9 | Very high | 70 Ų | 70 | 85 Ų | 85 | 37% | 0.366 | 48% | 0.484 | S | S | . | . | trans | -114.9 | 154.5 | 173.8 | -65.9 | 175.5 | 0 | 0 | 0 | 109.7 | I211 L212 T260 | I211-L225 HydrophobicContact CD1-CB 4.02Å; I211-L225 HydrophobicContact CD1-CD1 4.44Å; I211-L225 HydrophobicContact CG1-CB 4.32Å; L212-L225 HydrophobicContact CD2-CD1 3.91Å; L212-L225 HydrophobicContact CD2-CD2 4.23Å; L225-T260 HydrophobicContact CD1-CG2 4.32Å; L225-T260 WeakPolarHBondContact CD1-OG1 3.18Å | ||
| 226 | P | 95.3 | Very high | 95.2 | Very high | 55 Ų | 55 | 82.7 Ų | 82.7 | 36% | 0.357 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 164.7 | 172.7 | 28.2 | -35.4 | 0 | 0 | 0 | 111.5 | I211 K214 P228 | I211-P226 HydrophobicContact CD1-CG 4.34Å; I211-P226 VanDerWaalsContact CD1-O 3.24Å; I211-P226 WeakPolarHBondContact CD1-O 3.4Å; I211-P226 HydrophobicContact CG1-CG 4.06Å; K214-P226 HydrophobicContact CD-CG 4.29Å; P226-P228 WeakPolarHBondContact O-CD 3.38Å |
| 227 | E | 96.1 | Very high | 95.5 | Very high | 154 Ų | 154 | 81.3 Ų | 81.3 | 72% | 0.72 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 125 | 176.3 | -172.7 | 172.1 | -174.6 | 0 | 0 | 111.1 | Y258 | E227-Y258 HydrophobicContact CG-CD2 4.49Å; E227-Y258 HydrophobicContact CG-CE2 3.91Å |
| 228 | P | 97.2 | Very high | 95.9 | Very high | 13 Ų | 13 | 79.6 Ų | 79.6 | 8% | 0.084 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 153.2 | 177.7 | 31 | -35.1 | 0 | 0 | 0 | 111.8 | I211 P226 M232 L233 T251 Y258 | I211-P228 HydrophobicContact CD1-CB 3.96Å; P226-P228 WeakPolarHBondContact O-CD 3.38Å; P228-M232 HydrophobicContact CB-CG 4.22Å; P228-M232 HydrophobicContact CB-SD 3.72Å; P228-L233 HydrophobicContact CB-CD2 4.15Å; P228-L233 HydrophobicContact CG-CD2 3.92Å; P228-T251 HydrophobicContact CB-CG2 4.34Å; P228-T251 HydrophobicContact CG-CG2 4.09Å; P228-Y258 HydrophobicContact CG-CD1 3.69Å; P228-Y258 HydrophobicContact CG-CD2 3.95Å; P228-Y258 HydrophobicContact CG-CE1 4.18Å; P228-Y258 HydrophobicContact CG-CE2 4.4Å; P228-Y258 HydrophobicContact CG-CG 3.54Å |
| 229 | N | 97.1 | Very high | 96.2 | Very high | 61 Ų | 61 | 77.6 Ų | 77.6 | 33% | 0.326 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 137.5 | 166.6 | -170.9 | -33.9 | 0 | 0 | 0 | 109.6 | V231 M232 | N229-V231 PolarHBondContact O-N 3.42Å; N229-V231 VanDerWaalsContact O-N 3.11Å; N229-V231 PolarHBondContact OD1-N 3.14Å; N229-V231 VanDerWaalsContact OD1-N 3.16Å; N229-M232 HydrophobicContact CB-CG 4.4Å; N229-M232 WeakPolarHBondContact O-CG 3.44Å; N229-M232 PolarHBondContact O-N 2.76Å; N229-M232 VanDerWaalsContact O-N 3.12Å |
| 230 | H | 97.6 | Very high | 96.4 | Very high | 130 Ų | 130 | 77.6 Ų | 77.6 | 60% | 0.602 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -57 | -29.4 | -179.5 | 69.7 | -85.2 | 0 | 0 | 0 | 113.5 | M232 L233 | H230-M232 VanDerWaalsContact C-N 3.32Å; H230-M232 PolarHBondContact O-N 3.16Å; H230-L233 WeakPolarHBondContact O-CB 3.24Å; H230-L233 WeakPolarHBondContact O-CG 3.46Å; H230-L233 PolarHBondContact O-N 3.41Å |
| 231 | V | 97.9 | Very high | 96.6 | Very high | 58 Ų | 58 | 79.7 Ų | 79.7 | 35% | 0.352 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -69.4 | -25.5 | -179.3 | -179.2 | 0 | 0 | 0 | 0 | 112.9 | N229 H235 | N229-V231 PolarHBondContact O-N 3.42Å; N229-V231 VanDerWaalsContact O-N 3.11Å; N229-V231 PolarHBondContact OD1-N 3.14Å; N229-V231 VanDerWaalsContact OD1-N 3.16Å; V231-H235 PolarHBondContact O-CD2 3.26Å; V231-H235 PolarHBondContact O-NE2 3.1Å; V231-H235 VanDerWaalsContact O-NE2 3.17Å |
| 232 | M | 96.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 82.5 Ų | 82.5 | 3% | 0.034 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -87.3 | -6.9 | 179.7 | 61.7 | 146.2 | 44.5 | 0 | 0 | 113.9 | L207 Q209 I211 P228 N229 H230 H235 | L207-M232 HydrophobicContact CD2-CB 4.43Å; Q209-M232 WeakPolarHBondContact O-CE 3.45Å; I211-M232 HydrophobicContact CB-CE 4.42Å; I211-M232 HydrophobicContact CB-SD 4.3Å; P228-M232 HydrophobicContact CB-CG 4.22Å; P228-M232 HydrophobicContact CB-SD 3.72Å; N229-M232 HydrophobicContact CB-CG 4.4Å; N229-M232 WeakPolarHBondContact O-CG 3.44Å; N229-M232 PolarHBondContact O-N 2.76Å; N229-M232 VanDerWaalsContact O-N 3.12Å; H230-M232 VanDerWaalsContact C-N 3.32Å; H230-M232 PolarHBondContact O-N 3.16Å; M232-H235 PolarHBondContact O-N 2.83Å |
| 233 | L | 97.6 | Very high | 96.7 | Very high | 14 Ų | 14 | 84.7 Ų | 84.7 | 7% | 0.073 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 147.4 | 178.8 | -57.7 | 177.9 | 0 | 0 | 0 | 110 | P228 H230 H235 T251 R253 Y258 | P228-L233 HydrophobicContact CB-CD2 4.15Å; P228-L233 HydrophobicContact CG-CD2 3.92Å; H230-L233 WeakPolarHBondContact O-CB 3.24Å; H230-L233 WeakPolarHBondContact O-CG 3.46Å; H230-L233 PolarHBondContact O-N 3.41Å; L233-H235 PolarHBondContact O-CD2 2.88Å; L233-H235 PolarHBondContact O-N 2.83Å; L233-H235 VanDerWaalsContact O-N 3.14Å; L233-T251 WeakPolarHBondContact CA-O 3.47Å; L233-T251 HydrophobicContact CD2-CG2 3.51Å; L233-R253 HydrophobicContact CD1-CB 4.14Å; L233-Y258 HydrophobicContact CD1-CD1 4.08Å; L233-Y258 HydrophobicContact CD1-CE1 3.83Å; L233-Y258 HydrophobicContact CD2-CD1 4.01Å; L233-Y258 HydrophobicContact CD2-CE1 4.47Å |
| 234 | N | 97.8 | Very high | 96.7 | Very high | 119 Ų | 119 | 82.8 Ų | 82.8 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 5.8 | -177.3 | -44.7 | -38.6 | 0 | 0 | 0 | 115.1 | T251 H252 | N234-T251 PolarHBondContact N-O 3.21Å; N234-H252 PolarHBondContact OD1-CD2 2.86Å; N234-H252 VanDerWaalsContact OD1-CD2 3.29Å |
| 235 | H | 98.2 | Very high | 96.8 | Very high | 76 Ų | 76 | 80.2 Ų | 80.2 | 35% | 0.352 | 44% | 0.439 | S | S | . | . | trans | -86.8 | 137.1 | 169.8 | -70.8 | -89.9 | 0 | 0 | 0 | 111.2 | L207 V231 M232 L233 Y237 | L207-H235 HydrophobicContact CD2-CB 4.43Å; V231-H235 PolarHBondContact O-CD2 3.26Å; V231-H235 PolarHBondContact O-NE2 3.1Å; V231-H235 VanDerWaalsContact O-NE2 3.17Å; M232-H235 PolarHBondContact O-N 2.83Å; L233-H235 PolarHBondContact O-CD2 2.88Å; L233-H235 PolarHBondContact O-N 2.83Å; L233-H235 VanDerWaalsContact O-N 3.14Å; H235-Y237 HydrophobicContact CB-CE2 4.2Å | ||
| 236 | L | 98.1 | Very high | 96.8 | Very high | 119 Ų | 119 | 79.8 Ų | 79.8 | 62% | 0.623 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.4 | 178 | -171.3 | 72 | 0 | 0 | 0 | 110.5 | L248 | L236-L248 HydrophobicContact CD1-CB 4.16Å; L236-L248 HydrophobicContact CD1-CD2 4.44Å; L236-L248 HydrophobicContact CD2-CD2 4.27Å |
| 237 | Y | 97.9 | Very high | 97 | Very high | 32 Ų | 32 | 78.2 Ų | 78.2 | 13% | 0.125 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.8 | 168.6 | -63.3 | -89.4 | 0 | 0 | 0 | 109 | L207 V210 H235 L248 S249 | L207-Y237 WeakPolarHBondContact O-CE1 3.44Å; L207-Y237 PolarHBondContact O-OH 3.14Å; V210-Y237 HydrophobicContact CB-CD1 4.41Å; V210-Y237 HydrophobicContact CB-CE1 4.39Å; V210-Y237 HydrophobicContact CG1-CD1 4.02Å; V210-Y237 HydrophobicContact CG1-CE1 4.41Å; V210-Y237 HydrophobicContact CG1-CG 4.41Å; V210-Y237 HydrophobicContact CG2-CD1 3.78Å; V210-Y237 HydrophobicContact CG2-CE1 3.76Å; H235-Y237 HydrophobicContact CB-CE2 4.2Å; Y237-L248 CarbonylContact O-C 3.58Å; Y237-S249 WeakPolarHBondContact CB-OG 3.43Å; Y237-S249 PolarHBondContact N-O 3.34Å; Y237-S249 PolarHBondContact O-N 3.03Å; Y237-S249 PolarHBondContact O-OG 3.29Å |
| 238 | A | 97.4 | Very high | 97 | Very high | 68 Ų | 68 | 72.9 Ų | 72.9 | 56% | 0.562 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V247 L248 | A238-V247 WeakPolarHBondContact CA-O 3.46Å; A238-L248 HydrophobicContact CB-CD2 3.66Å |
| 239 | L | 96.4 | Very high | 97.1 | Very high | 106 Ų | 106 | 72.9 Ų | 72.9 | 56% | 0.555 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 153.8 | 164.3 | -67 | 175.1 | 0 | 0 | 0 | 109.8 | I241 V247 | L239-I241 PolarHBondContact O-N 2.84Å; L239-V247 HydrophobicContact CB-CB 4.26Å; L239-V247 HydrophobicContact CD1-CB 4.27Å; L239-V247 HydrophobicContact CD1-CG1 4.25Å; L239-V247 PolarHBondContact N-O 2.91Å; L239-V247 VanDerWaalsContact N-O 3.1Å |
| 240 | S | 96.6 | Very high | 97.1 | Very high | 101 Ų | 101 | 70.7 Ų | 70.7 | 71% | 0.706 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 131.4 | 168.4 | -54.1 | 0 | 0 | 0 | 0 | 109.7 | K242 | S240-K242 PolarHBondContact O-N 3.13Š|
| 241 | I | 96 | Very high | 97.2 | Very high | 93 Ų | 93 | 64.5 Ų | 64.5 | 48% | 0.477 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 132 | 179.7 | -63.8 | 158.3 | 0 | 0 | 0 | 109.5 | L239 M246 I267 | L239-I241 PolarHBondContact O-N 2.84Å; I241-M246 HydrophobicContact CD1-CE 4.27Å; I241-M246 HydrophobicContact CG1-CB 4.37Å; I241-M246 HydrophobicContact CG1-CG 4.41Å; I241-I267 HydrophobicContact CB-CD1 4.28Å; I241-I267 HydrophobicContact CD1-CD1 3.47Å; I241-I267 VanDerWaalsContact CD1-CD1 3.47Å; I241-I267 HydrophobicContact CG1-CD1 3.79Å; I241-I267 HydrophobicContact CG2-CD1 3.48Å; I241-I267 VanDerWaalsContact CG2-CD1 3.48Å |
| 242 | K | 94.8 | Very high | 97.2 | Very high | 154 Ų | 154 | 66 Ų | 66 | 67% | 0.67 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -138.7 | 144.1 | 175.5 | -68.3 | -177 | -178.5 | -179.5 | 0 | 109.2 | S240 G244 V245 | S240-K242 PolarHBondContact O-N 3.13Å; K242-G244 PolarHBondContact O-N 2.91Å; K242-G244 VanDerWaalsContact O-N 3.12Å; K242-V245 PolarHBondContact N-O 2.99Å; K242-V245 PolarHBondContact O-N 3.05Å |
| 243 | D | 95 | Very high | 97.3 | Very high | 164 Ų | 164 | 71.7 Ų | 71.7 | 88% | 0.877 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 35.2 | 175.6 | -52.1 | -41.6 | 0 | 0 | 0 | 114.5 | V245 | D243-V245 PolarHBondContact O-N 3.33Š|
| 244 | G | 95.2 | Very high | 97.3 | Very high | 42 Ų | 42 | 78.4 Ų | 78.4 | 43% | 0.433 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 11.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K242 P266 I267 | K242-G244 PolarHBondContact O-N 2.91Å; K242-G244 VanDerWaalsContact O-N 3.12Å; G244-P266 WeakPolarHBondContact O-CA 3.46Å; G244-I267 PolarHBondContact O-N 3.08Å |
| 245 | V | 97.3 | Very high | 97.2 | Very high | 48 Ų | 48 | 80.8 Ų | 80.8 | 29% | 0.291 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.1 | 179.8 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | K242 D243 V247 Y264 | K242-V245 PolarHBondContact N-O 2.99Å; K242-V245 PolarHBondContact O-N 3.05Å; D243-V245 PolarHBondContact O-N 3.33Å; V245-V247 HydrophobicContact CG1-CG2 4.44Å; V245-Y264 HydrophobicContact CG1-CD1 4.1Å |
| 246 | M | 97.1 | Very high | 97.2 | Very high | 61 Ų | 61 | 86.3 Ų | 86.3 | 30% | 0.3 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 134 | 168.3 | -173.4 | -175.8 | -66.1 | 0 | 0 | 109.8 | I241 L248 Y264 K265 I267 | I241-M246 HydrophobicContact CD1-CE 4.27Å; I241-M246 HydrophobicContact CG1-CB 4.37Å; I241-M246 HydrophobicContact CG1-CG 4.41Å; M246-L248 HydrophobicContact CG-CD2 4.04Å; M246-L248 HydrophobicContact CG-CG 4.02Å; M246-L248 HydrophobicContact SD-CD1 3.87Å; M246-L248 HydrophobicContact SD-CD2 3.94Å; M246-L248 HydrophobicContact SD-CG 3.91Å; M246-Y264 WeakPolarHBondContact O-CA 3.48Å; M246-K265 PolarHBondContact N-O 3.46Å; M246-K265 PolarHBondContact O-N 3.27Å; M246-I267 HydrophobicContact CB-CD1 4.07Å; M246-I267 HydrophobicContact CB-CG1 4.07Å; M246-I267 HydrophobicContact CE-CD1 4.12Å; M246-I267 HydrophobicContact CE-CG1 4.45Å |
| 247 | V | 98 | Very high | 97.2 | Very high | 22 Ų | 22 | 88.1 Ų | 88.1 | 13% | 0.133 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 116.6 | 174.6 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | A238 L239 V245 L263 Y264 | A238-V247 WeakPolarHBondContact CA-O 3.46Å; L239-V247 HydrophobicContact CB-CB 4.26Å; L239-V247 HydrophobicContact CD1-CB 4.27Å; L239-V247 HydrophobicContact CD1-CG1 4.25Å; L239-V247 PolarHBondContact N-O 2.91Å; L239-V247 VanDerWaalsContact N-O 3.1Å; V245-V247 HydrophobicContact CG1-CG2 4.44Å; V247-L263 WeakPolarHBondContact CA-O 3.46Å; V247-Y264 HydrophobicContact CB-CD1 4.41Å; V247-Y264 HydrophobicContact CB-CE1 4.26Å; V247-Y264 HydrophobicContact CG1-CD1 4.2Å; V247-Y264 HydrophobicContact CG1-CD2 4.41Å; V247-Y264 HydrophobicContact CG1-CE1 3.82Å; V247-Y264 HydrophobicContact CG1-CE2 4.04Å; V247-Y264 HydrophobicContact CG1-CG 4.47Å; V247-Y264 HydrophobicContact CG2-CD1 3.47Å; V247-Y264 VanDerWaalsContact CG2-CD1 3.47Å; V247-Y264 HydrophobicContact CG2-CE1 3.39Å; V247-Y264 HydrophobicContact CG2-CG 4.31Å |
| 248 | L | 97.9 | Very high | 97.2 | Very high | 43 Ų | 43 | 89.8 Ų | 89.8 | 23% | 0.225 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 148.2 | 178.7 | -62 | -178.9 | 0 | 0 | 0 | 109.9 | L236 Y237 A238 M246 L262 L263 | L236-L248 HydrophobicContact CD1-CB 4.16Å; L236-L248 HydrophobicContact CD1-CD2 4.44Å; L236-L248 HydrophobicContact CD2-CD2 4.27Å; Y237-L248 CarbonylContact O-C 3.58Å; A238-L248 HydrophobicContact CB-CD2 3.66Å; M246-L248 HydrophobicContact CG-CD2 4.04Å; M246-L248 HydrophobicContact CG-CG 4.02Å; M246-L248 HydrophobicContact SD-CD1 3.87Å; M246-L248 HydrophobicContact SD-CD2 3.94Å; M246-L248 HydrophobicContact SD-CG 3.91Å; L248-L262 CarbonylContact O-C 3.56Å; L248-L262 WeakPolarHBondContact O-CA 3.45Å; L248-L263 PolarHBondContact N-O 3.42Å; L248-L263 PolarHBondContact O-N 3.42Å |
| 249 | S | 98.1 | Very high | 97.3 | Very high | 13 Ų | 13 | 90.1 Ų | 90.1 | 9% | 0.091 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 150.5 | 175.2 | 66.4 | 0 | 0 | 0 | 0 | 112.1 | Y237 S261 | Y237-S249 WeakPolarHBondContact CB-OG 3.43Å; Y237-S249 PolarHBondContact N-O 3.34Å; Y237-S249 PolarHBondContact O-N 3.03Å; Y237-S249 PolarHBondContact O-OG 3.29Å; S249-S261 WeakPolarHBondContact CA-O 3.49Å; S249-S261 WeakPolarHBondContact CB-O 3.38Å |
| 250 | A | 98.3 | Very high | 97.4 | Very high | 14 Ų | 14 | 86.4 Ų | 86.4 | 12% | 0.116 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 146.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T260 S261 | A250-T260 WeakPolarHBondContact O-CA 3.37Å; A250-S261 PolarHBondContact N-O 2.95Å; A250-S261 PolarHBondContact O-N 2.8Å |
| 251 | T | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 84.8 Ų | 84.8 | 1% | 0.006 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123.2 | 175.1 | -52.3 | 0 | 0 | 0 | 0 | 109.7 | P228 L233 N234 V259 T260 | P228-T251 HydrophobicContact CB-CG2 4.34Å; P228-T251 HydrophobicContact CG-CG2 4.09Å; L233-T251 WeakPolarHBondContact CA-O 3.47Å; L233-T251 HydrophobicContact CD2-CG2 3.51Å; N234-T251 PolarHBondContact N-O 3.21Å; T251-V259 WeakPolarHBondContact CA-O 3.4Å; T251-T260 WeakPolarHBondContact CG2-OG1 3.45Å; T251-T260 PolarHBondContact OG1-OG1 2.91Å |
| 252 | H | 98.4 | Very high | 97.5 | Very high | 90 Ų | 90 | 84.3 Ų | 84.3 | 42% | 0.417 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 148.7 | 178.9 | -62.6 | 95.3 | 0 | 0 | 0 | 110.8 | N234 Y258 V259 | N234-H252 PolarHBondContact OD1-CD2 2.86Å; N234-H252 VanDerWaalsContact OD1-CD2 3.29Å; H252-Y258 WeakPolarHBondContact O-CA 3.2Å; H252-V259 PolarHBondContact N-O 2.94Å; H252-V259 PolarHBondContact O-N 2.85Å |
| 253 | R | 98.3 | Very high | 97.7 | Very high | 126 Ų | 126 | 81.7 Ų | 81.7 | 48% | 0.475 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.7 | 172.7 | -175.5 | -175.8 | -66.6 | -127.6 | -3.3 | 109.7 | L233 K255 K257 Y258 | L233-R253 HydrophobicContact CD1-CB 4.14Å; R253-K255 WeakPolarHBondContact CD-O 3.4Å; R253-K255 WeakPolarHBondContact CG-O 3.42Å; R253-K257 CarbonylContact C-O 3.55Å; R253-K257 WeakPolarHBondContact CA-O 3.33Å; R253-Y258 HydrophobicContact CB-CD1 4.19Å; R253-Y258 HydrophobicContact CB-CE1 4.31Å; R253-Y258 HydrophobicContact CG-CD1 4.27Å; R253-Y258 HydrophobicContact CG-CE1 4.09Å; R253-Y258 PolarHBondContact NH2-OH 2.94Å |
| 254 | Y | 97.8 | Very high | 97.8 | Very high | 155 Ų | 155 | 81 Ų | 81 | 61% | 0.608 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 109.5 | 167.4 | 179.8 | -107.3 | 0 | 0 | 0 | 109.3 | K256 K257 | Y254-K256 PolarHBondContact O-N 2.96Å; Y254-K256 VanDerWaalsContact O-N 3.08Å; Y254-K257 PolarHBondContact N-O 3.32Å; Y254-K257 PolarHBondContact O-N 3.12Å |
| 255 | K | 96.8 | Very high | 97.9 | Very high | 169 Ų | 169 | 85.2 Ų | 85.2 | 74% | 0.735 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | -111.7 | -170.3 | -56.5 | -178.7 | 178.9 | -176.9 | 0 | 110.8 | R253 | R253-K255 WeakPolarHBondContact CD-O 3.4Å; R253-K255 WeakPolarHBondContact CG-O 3.42Å |
| 256 | K | 97.7 | Very high | 97.9 | Very high | 192 Ų | 192 | 87.8 Ų | 87.8 | 84% | 0.835 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 10 | 178.3 | -61.4 | -172.8 | 178.2 | -177 | 0 | 113.3 | Y254 | Y254-K256 PolarHBondContact O-N 2.96Å; Y254-K256 VanDerWaalsContact O-N 3.08Å |
| 257 | K | 97.8 | Very high | 97.6 | Very high | 156 Ų | 156 | 92.1 Ų | 92.1 | 68% | 0.678 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 159 | -179.9 | -61.7 | -169.8 | 177.7 | -170 | 0 | 110.6 | R253 Y254 | R253-K257 CarbonylContact C-O 3.55Å; R253-K257 WeakPolarHBondContact CA-O 3.33Å; Y254-K257 PolarHBondContact N-O 3.32Å; Y254-K257 PolarHBondContact O-N 3.12Å |
| 258 | Y | 98.4 | Very high | 97.6 | Very high | 67 Ų | 67 | 95.7 Ų | 95.7 | 26% | 0.263 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.6 | 178 | -51.4 | -78.9 | 0 | 0 | 0 | 109.8 | E227 P228 L233 H252 R253 | E227-Y258 HydrophobicContact CG-CD2 4.49Å; E227-Y258 HydrophobicContact CG-CE2 3.91Å; P228-Y258 HydrophobicContact CG-CD1 3.69Å; P228-Y258 HydrophobicContact CG-CD2 3.95Å; P228-Y258 HydrophobicContact CG-CE1 4.18Å; P228-Y258 HydrophobicContact CG-CE2 4.4Å; P228-Y258 HydrophobicContact CG-CG 3.54Å; L233-Y258 HydrophobicContact CD1-CD1 4.08Å; L233-Y258 HydrophobicContact CD1-CE1 3.83Å; L233-Y258 HydrophobicContact CD2-CD1 4.01Å; L233-Y258 HydrophobicContact CD2-CE1 4.47Å; H252-Y258 WeakPolarHBondContact O-CA 3.2Å; R253-Y258 HydrophobicContact CB-CD1 4.19Å; R253-Y258 HydrophobicContact CB-CE1 4.31Å; R253-Y258 HydrophobicContact CG-CD1 4.27Å; R253-Y258 HydrophobicContact CG-CE1 4.09Å; R253-Y258 PolarHBondContact NH2-OH 2.94Å |
| 259 | V | 98.3 | Very high | 97.5 | Very high | 76 Ų | 76 | 98.4 Ų | 98.4 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 123.1 | 177.8 | -177.7 | 0 | 0 | 0 | 0 | 108.2 | T251 H252 | T251-V259 WeakPolarHBondContact CA-O 3.4Å; H252-V259 PolarHBondContact N-O 2.94Å; H252-V259 PolarHBondContact O-N 2.85Å |
| 260 | T | 98.4 | Very high | 97.5 | Very high | 28 Ų | 28 | 103.2 Ų | 103.2 | 17% | 0.172 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 109 | 170.6 | -56.5 | 0 | 0 | 0 | 0 | 108.2 | L212 L225 A250 T251 L262 | L212-T260 HydrophobicContact CD1-CG2 3.99Å; L212-T260 HydrophobicContact CD2-CG2 3.91Å; L212-T260 HydrophobicContact CG-CG2 4.03Å; L225-T260 HydrophobicContact CD1-CG2 4.32Å; L225-T260 WeakPolarHBondContact CD1-OG1 3.18Å; A250-T260 WeakPolarHBondContact O-CA 3.37Å; T251-T260 WeakPolarHBondContact CG2-OG1 3.45Å; T251-T260 PolarHBondContact OG1-OG1 2.91Å; T260-L262 HydrophobicContact CG2-CD1 4.2Å |
| 261 | S | 98 | Very high | 97.4 | Very high | 66 Ų | 66 | 108.4 Ų | 108.4 | 46% | 0.462 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136.9 | 179.5 | -59 | 0 | 0 | 0 | 0 | 109.8 | S249 A250 | S249-S261 WeakPolarHBondContact CA-O 3.49Å; S249-S261 WeakPolarHBondContact CB-O 3.38Å; A250-S261 PolarHBondContact N-O 2.95Å; A250-S261 PolarHBondContact O-N 2.8Å |
| 262 | L | 98.3 | Very high | 97.4 | Very high | 83 Ų | 83 | 115.1 Ų | 115.1 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134 | 173.1 | -74 | 72.7 | 0 | 0 | 0 | 108.8 | L212 L248 T260 Y264 | L212-L262 HydrophobicContact CD1-CD1 3.95Å; L212-L262 HydrophobicContact CD1-CD2 4.36Å; L212-L262 HydrophobicContact CD1-CG 4.23Å; L212-L262 HydrophobicContact CD2-CD1 4.34Å; L248-L262 CarbonylContact O-C 3.56Å; L248-L262 WeakPolarHBondContact O-CA 3.45Å; T260-L262 HydrophobicContact CG2-CD1 4.2Å; L262-Y264 HydrophobicContact CB-CE2 4.18Å; L262-Y264 HydrophobicContact CD2-CE2 4.41Å |
| 263 | L | 97.9 | Very high | 97.3 | Very high | 100 Ų | 100 | 116.8 Ų | 116.8 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.5 | 175.7 | 175.9 | 65.6 | 0 | 0 | 0 | 109.3 | V247 L248 | V247-L263 WeakPolarHBondContact CA-O 3.46Å; L248-L263 PolarHBondContact N-O 3.42Å; L248-L263 PolarHBondContact O-N 3.42Å |
| 264 | Y | 97.9 | Very high | 97.2 | Very high | 148 Ų | 148 | 116.1 Ų | 116.1 | 58% | 0.58 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 120 | 170.6 | -69.1 | -103.3 | 0 | 0 | 0 | 108.3 | V245 M246 V247 L262 | V245-Y264 HydrophobicContact CG1-CD1 4.1Å; M246-Y264 WeakPolarHBondContact O-CA 3.48Å; V247-Y264 HydrophobicContact CB-CD1 4.41Å; V247-Y264 HydrophobicContact CB-CE1 4.26Å; V247-Y264 HydrophobicContact CG1-CD1 4.2Å; V247-Y264 HydrophobicContact CG1-CD2 4.41Å; V247-Y264 HydrophobicContact CG1-CE1 3.82Å; V247-Y264 HydrophobicContact CG1-CE2 4.04Å; V247-Y264 HydrophobicContact CG1-CG 4.47Å; V247-Y264 HydrophobicContact CG2-CD1 3.47Å; V247-Y264 VanDerWaalsContact CG2-CD1 3.47Å; V247-Y264 HydrophobicContact CG2-CE1 3.39Å; V247-Y264 HydrophobicContact CG2-CG 4.31Å; L262-Y264 HydrophobicContact CB-CE2 4.18Å; L262-Y264 HydrophobicContact CD2-CE2 4.41Å |
| 265 | K | 97.3 | Very high | 97.2 | Very high | 132 Ų | 132 | 113.2 Ų | 113.2 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.8 | 123.6 | -177.5 | -173.8 | 179.5 | 174.5 | 179 | 0 | 110.6 | M246 | M246-K265 PolarHBondContact N-O 3.46Å; M246-K265 PolarHBondContact O-N 3.27Å |
| 266 | P | 96.2 | Very high | 97.2 | Very high | 102 Ų | 102 | 108.5 Ų | 108.5 | 66% | 0.662 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | 148.9 | 170.5 | -21 | 33 | 0 | 0 | 0 | 111.8 | G244 | G244-P266 WeakPolarHBondContact O-CA 3.46Å |
| 267 | I | 90.6 | Very high | 97.2 | Very high | 152 Ų | 152 | 100.9 Ų | 100.9 | 78% | 0.779 | 51% | 0.508 | S | S | * | . | trans | -100.7 | 0 | 177.2 | -53.3 | -178.4 | 0 | 0 | 0 | 110.3 | I241 G244 M246 | I241-I267 HydrophobicContact CB-CD1 4.28Å; I241-I267 HydrophobicContact CD1-CD1 3.47Å; I241-I267 VanDerWaalsContact CD1-CD1 3.47Å; I241-I267 HydrophobicContact CG1-CD1 3.79Å; I241-I267 HydrophobicContact CG2-CD1 3.48Å; I241-I267 VanDerWaalsContact CG2-CD1 3.48Å; G244-I267 PolarHBondContact O-N 3.08Å; M246-I267 HydrophobicContact CB-CD1 4.07Å; M246-I267 HydrophobicContact CB-CG1 4.07Å; M246-I267 HydrophobicContact CE-CD1 4.12Å; M246-I267 HydrophobicContact CE-CG1 4.45Å |
Retrieved 267 of 267 residues in 152.2 ms
(Link to these results)