| 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 | 42.5 | Very low | 49.3 | Very low | 227 Ų | 227 | 161 Ų | 161 | 100% | 1.118 | 85% | 0.851 | S | S | * | * | 0 | 136 | 0 | -56.6 | -170.9 | -165.9 | 0 | 0 | 107.3 | |||||
| 2 | Q | 42.5 | Very low | 49.1 | Very low | 156 Ų | 156 | 160.9 Ų | 160.9 | 73% | 0.729 | 85% | 0.85 | S | S | * | * | cis | -133.5 | 137.4 | -17.6 | -74.5 | 111.7 | -24.1 | 0 | 0 | 105.6 | ||||
| 3 | A | 50.9 | Low | 49.1 | Very low | 112 Ų | 112 | 161.8 Ų | 161.8 | 93% | 0.926 | 85% | 0.847 | S | S | * | * | 55.2 | 40.2 | 63.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 4 | A | 56.3 | Low | 49.1 | Very low | 86 Ų | 86 | 157.8 Ų | 157.8 | 71% | 0.711 | 84% | 0.835 | S | S | * | * | trans | -150.1 | 4.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 5 | C | 50.9 | Low | 49 | Very low | 120 Ų | 120 | 156.4 Ų | 156.4 | 81% | 0.811 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -108 | 2.8 | -164 | -146.2 | 0 | 0 | 0 | 0 | 116.6 | ||
| 6 | W | 48.7 | Very low | 48.5 | Very low | 248 Ų | 248 | 153.6 Ų | 153.6 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -111.1 | 4.3 | -171.6 | -80.7 | 24.3 | 0 | 0 | 0 | 115.3 | ||
| 7 | Y | 47 | Very low | 47.8 | Very low | 212 Ų | 212 | 157.9 Ų | 157.9 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -102.8 | 0.7 | -174.5 | -103.4 | -80.9 | 0 | 0 | 0 | 116 | ||
| 8 | V | 49.7 | Very low | 47.2 | Very low | 129 Ų | 129 | 157.8 Ų | 157.8 | 78% | 0.782 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -98.6 | -11.9 | -173.5 | -176.9 | 0 | 0 | 0 | 0 | 113.2 | L10 | V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.01Å |
| 9 | L | 47.6 | Very low | 46.5 | Very low | 178 Ų | 178 | 155.9 Ų | 155.9 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 13.8 | -176 | -112.3 | 148.2 | 0 | 0 | 0 | 114.6 | ||
| 10 | L | 52.5 | Low | 45.9 | Very low | 150 Ų | 150 | 154.2 Ų | 154.2 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | 10.8 | -172.2 | -114.8 | 165.3 | 0 | 0 | 0 | 114.8 | V8 | V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.01Å |
| 11 | L | 53.7 | Low | 45.2 | Very low | 153 Ų | 153 | 152.3 Ų | 152.3 | 80% | 0.801 | 82% | 0.818 | S | S | * | * | trans | -140.4 | 75.9 | -178.6 | -71.7 | 174.8 | 0 | 0 | 0 | 112.2 | ||||
| 12 | L | 46.5 | Very low | 44.7 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | 178 | 124.9 | 166.1 | -90.1 | 149 | 0 | 0 | 0 | 103.9 | ||||
| 13 | Q | 50 | Low | 44.3 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | cis | -151.4 | 176.1 | 16.3 | -100.5 | -167.9 | -36.2 | 0 | 0 | 112.2 | ||||
| 14 | P | 49 | Very low | 43.1 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -109.6 | -176.9 | -149.6 | 43.2 | -39.2 | 0 | 0 | 0 | 117.1 | ||||
| 15 | T | 47.2 | Very low | 41.9 | Very low | 137 Ų | 137 | 147 Ų | 147 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | -48.7 | 119 | 168.9 | 49.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 16 | V | 41.1 | Very low | 40.9 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 67% | 0.673 | 79% | 0.791 | S | S | * | * | trans | -150.8 | 126.2 | 150.5 | -155.8 | 0 | 0 | 0 | 0 | 104 | ||||
| 17 | Y | 36.7 | Very low | 39.9 | Very low | 227 Ų | 227 | 141.4 Ų | 141.4 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | -156.7 | 156.5 | 61.4 | -91.7 | -91.5 | 0 | 0 | 0 | 112.3 | |||||
| 18 | L | 36.6 | Very low | 38.9 | Very low | 156 Ų | 156 | 135.4 Ų | 135.4 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -140.3 | 141.7 | 179 | -128.2 | 175.8 | 0 | 0 | 0 | 108.7 | ||||
| 19 | V | 34.6 | Very low | 37.9 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | 67.4 | 135.9 | 170.5 | -158.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 20 | T | 34.3 | Very low | 37 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | cis | -152.2 | 172.2 | 42.4 | -29.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 21 | C | 31.8 | Very low | 35.8 | Very low | 114 Ų | 114 | 137 Ų | 137 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | cis | -146.4 | 170.3 | 17.6 | -39.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 22 | A | 31.4 | Very low | 34.5 | Very low | 83 Ų | 83 | 135.9 Ų | 135.9 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | -89.5 | 179 | 147.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 23 | N | 33 | Very low | 33.6 | Very low | 142 Ų | 142 | 137 Ų | 137 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | cis | 177.2 | -177.1 | 46.1 | -148.3 | -3.3 | 0 | 0 | 0 | 111 | ||||
| 24 | L | 26.3 | Very low | 32.5 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | 74.6 | 143.2 | 172.5 | -79.2 | 71.6 | 0 | 0 | 0 | 117.4 | ||||
| 25 | T | 31 | Very low | 31.4 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 64% | 0.638 | 80% | 0.8 | S | S | * | * | cis | 162.1 | 129.7 | -34 | 37.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 26 | N | 29.8 | Very low | 30.2 | Very low | 168 Ų | 168 | 135.3 Ų | 135.3 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 143.8 | 139.5 | 156 | -78.1 | -19.5 | 0 | 0 | 0 | 108.1 | ||||
| 27 | G | 27.2 | Very low | 29.5 | Very low | 81 Ų | 81 | 136.2 Ų | 136.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | cis | 126.4 | 86 | 13.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 28 | G | 26.5 | Very low | 28.9 | Very low | 86 Ų | 86 | 130 Ų | 130 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -169.5 | 113.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 29 | K | 28 | Very low | 28.5 | Very low | 201 Ų | 201 | 131.5 Ų | 131.5 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -114.8 | 130.4 | 179.4 | -175.5 | -173 | -176.3 | -172.1 | 0 | 107.7 | ||||
| 30 | S | 29.1 | Very low | 28.2 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -152.4 | 153.6 | 164.6 | -164.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 31 | E | 27.8 | Very low | 27.8 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -103.9 | 161.5 | -163 | -59.1 | -178.2 | 110.7 | 0 | 0 | 114 | ||||
| 32 | L | 26.1 | Very low | 27.6 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | trans | 48.6 | 107.7 | 134.3 | -173.1 | 73.4 | 0 | 0 | 0 | 119.3 | K34 | L32-K34 HydrophobicContact CD1-CG 4.09Š| ||
| 33 | L | 28.5 | Very low | 27.4 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | -137.4 | 141.9 | 129.7 | -83.3 | -175.2 | 0 | 0 | 0 | 111.2 | |||||
| 34 | K | 26.1 | Very low | 27.2 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -96.4 | 146 | -176.4 | -73 | 174.1 | 174.5 | 172.8 | 0 | 112.1 | L32 | L32-K34 HydrophobicContact CD1-CG 4.09Š| ||
| 35 | S | 25.7 | Very low | 27.3 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -159.7 | 142.9 | 150.1 | -172.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 36 | G | 23.7 | Very low | 27.1 | Very low | 63 Ų | 63 | 145 Ų | 145 | 65% | 0.649 | 81% | 0.812 | S | S | * | * | cis | 152.3 | 101.4 | -2.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 37 | S | 25.3 | Very low | 26.9 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | 71.2 | 152 | 176.2 | -126.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 38 | S | 25.1 | Very low | 26.9 | Very low | 96 Ų | 96 | 148.1 Ų | 148.1 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | cis | -157.5 | 172.1 | 9.2 | 52 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 39 | K | 27.8 | Very low | 27 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | trans | 106.9 | 90.7 | 169.4 | -64.1 | 176.9 | -179.6 | 178.1 | 0 | 114.9 | ||||
| 40 | S | 28.1 | Very low | 27.4 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | 94.1 | 89.9 | 67.8 | 67.3 | 0 | 0 | 0 | 0 | 112.5 | L42 | S40-L42 PolarHBondContact O-N 3.06Š| |||
| 41 | T | 26.3 | Very low | 27.8 | Very low | 132 Ų | 132 | 145.9 Ų | 145.9 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -69.4 | 121.1 | 169.5 | -54.7 | 0 | 0 | 0 | 0 | 110.5 | K43 | T41-K43 HydrophobicContact CG2-CG 4.49Š| ||
| 42 | L | 26.7 | Very low | 28.4 | Very low | 145 Ų | 145 | 146 Ų | 146 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -129.7 | 116.9 | 158.7 | -170.5 | 67.4 | 0 | 0 | 0 | 109.2 | S40 | S40-L42 PolarHBondContact O-N 3.06Š| ||
| 43 | K | 28.2 | Very low | 28.9 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | trans | -78.9 | 124.4 | 176.2 | -61.8 | 173.7 | 178.8 | 178.2 | 0 | 108.4 | T41 | T41-K43 HydrophobicContact CG2-CG 4.49Š| ||
| 44 | H | 28.2 | Very low | 29.4 | Very low | 156 Ų | 156 | 144 Ų | 144 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | -106.3 | 115.1 | 160.5 | -92.1 | -81.7 | 0 | 0 | 0 | 110 | ||||
| 45 | I | 28.9 | Very low | 30.3 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | -73.9 | 120.5 | 170 | -64.7 | 159.5 | 0 | 0 | 0 | 107 | T47 | I45-T47 HydrophobicContact CG2-CG2 4.27Š| ||
| 46 | W | 26.2 | Very low | 31 | Very low | 245 Ų | 245 | 142.1 Ų | 142.1 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | trans | -123.8 | 104.5 | 161.5 | -99.1 | 58.6 | 0 | 0 | 0 | 108.1 | ||||
| 47 | T | 25.7 | Very low | 32.1 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 74% | 0.736 | 80% | 0.804 | S | S | * | * | trans | -79.1 | 133.7 | 173 | 37 | 0 | 0 | 0 | 0 | 110.7 | I45 | I45-T47 HydrophobicContact CG2-CG2 4.27Š| ||
| 48 | E | 26.9 | Very low | 33 | Very low | 196 Ų | 196 | 152.3 Ų | 152.3 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -59.2 | 126.9 | 168.3 | -175.2 | 175.4 | -149.9 | 0 | 0 | 111.3 | ||||
| 49 | S | 29.2 | Very low | 33.8 | Very low | 107 Ų | 107 | 156.2 Ų | 156.2 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -155.9 | 84.3 | 166.7 | -150.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 50 | G | 35.5 | Very low | 34.3 | Very low | 78 Ų | 78 | 152.2 Ų | 152.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -80.5 | 113.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 51 | K | 37.7 | Very low | 34.7 | Very low | 180 Ų | 180 | 156.1 Ų | 156.1 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -143.5 | 128.7 | 161.4 | -69.3 | -166.8 | 178.9 | -179.3 | 0 | 110 | ||||
| 52 | D | 39.7 | Very low | 35.1 | Very low | 167 Ų | 167 | 155.6 Ų | 155.6 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -64.6 | 139.1 | -179.2 | -51.7 | -80.2 | 0 | 0 | 0 | 111.9 | ||||
| 53 | L | 36.7 | Very low | 35.4 | Very low | 170 Ų | 170 | 158.3 Ų | 158.3 | 89% | 0.89 | 82% | 0.82 | S | S | * | * | trans | -115.8 | 105.3 | 172.6 | -70.4 | 176.3 | 0 | 0 | 0 | 109.6 | ||||
| 54 | S | 39.5 | Very low | 35.6 | Very low | 101 Ų | 101 | 161.9 Ų | 161.9 | 71% | 0.706 | 83% | 0.829 | S | S | * | * | trans | -80.2 | 139.2 | 179 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | S56 | S54-S56 VanDerWaalsContact C-N 3.31Å; S54-S56 PolarHBondContact O-N 3.42Å | ||
| 55 | I | 44.5 | Very low | 35.8 | Very low | 176 Ų | 176 | 157.9 Ų | 157.9 | 90% | 0.903 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -77.7 | 78.4 | 179.1 | -53.7 | 171.7 | 0 | 0 | 0 | 108.9 | ||
| 56 | S | 41.4 | Very low | 35.9 | Very low | 101 Ų | 101 | 160.2 Ų | 160.2 | 71% | 0.706 | 83% | 0.834 | S | S | * | * | trans | -150.9 | 16.8 | -176.6 | -49.3 | 0 | 0 | 0 | 0 | 115.6 | S54 | S54-S56 VanDerWaalsContact C-N 3.31Å; S54-S56 PolarHBondContact O-N 3.42Å | ||
| 57 | R | 46.7 | Very low | 36.6 | Very low | 238 Ų | 238 | 156.1 Ų | 156.1 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | trans | -136.1 | 24.9 | -170 | -119 | 177.3 | -171.9 | 155.7 | 3.2 | 116.7 | ||||
| 58 | L | 43.2 | Very low | 36.9 | Very low | 168 Ų | 168 | 158.5 Ų | 158.5 | 88% | 0.88 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -116 | 16.5 | -168.9 | -111.5 | 164.6 | 0 | 0 | 0 | 116.2 | ||
| 59 | L | 41.8 | Very low | 37.4 | Very low | 179 Ų | 179 | 156.7 Ų | 156.7 | 94% | 0.937 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -140.4 | 53 | 178.6 | -75.7 | 177.6 | 0 | 0 | 0 | 113.8 | ||
| 60 | S | 38.3 | Very low | 37.7 | Very low | 103 Ų | 103 | 158.4 Ų | 158.4 | 72% | 0.72 | 84% | 0.836 | S | S | * | * | trans | -155.4 | 53.9 | 172.1 | 67 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 61 | Q | 38 | Very low | 37.9 | Very low | 193 Ų | 193 | 161.6 Ų | 161.6 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -159.9 | 72.1 | 168 | -118.8 | 169.9 | 24 | 0 | 0 | 112.8 | ||||
| 62 | T | 35.2 | Very low | 37.9 | Very low | 121 Ų | 121 | 160.2 Ų | 160.2 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | trans | -135.2 | 113.9 | 167.2 | 39.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 63 | F | 32.9 | Very low | 37.7 | Very low | 201 Ų | 201 | 158 Ų | 158 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | 52.2 | 97.9 | 161.9 | -56.2 | -75.8 | 0 | 0 | 0 | 119.6 | G65 | F63-G65 PolarHBondContact O-N 3Š| ||
| 64 | R | 31.9 | Very low | 37.7 | Very low | 257 Ų | 257 | 157 Ų | 157 | 97% | 0.97 | 82% | 0.818 | S | S | * | * | trans | -82.6 | 96.4 | 141.4 | -76.3 | -172.5 | -175.4 | -93.7 | 2.6 | 108.3 | ||||
| 65 | G | 31.7 | Very low | 37.5 | Very low | 71 Ų | 71 | 161.7 Ų | 161.7 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 150.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F63 | F63-G65 PolarHBondContact O-N 3Š|
| 66 | K | 32.1 | Very low | 37 | Very low | 192 Ų | 192 | 163.7 Ų | 163.7 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 144 | 178.8 | -165.3 | 171.7 | -177.8 | 176.9 | 0 | 109.7 | ||
| 67 | E | 40.1 | Very low | 36.9 | Very low | 159 Ų | 159 | 165.5 Ų | 165.5 | 74% | 0.743 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 148 | -167.8 | -52.9 | 100.9 | -101.5 | 0 | 0 | 116.4 | ||
| 68 | N | 32.9 | Very low | 36.7 | Very low | 170 Ų | 170 | 160.2 Ų | 160.2 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -168.8 | 141.5 | 137 | -89.6 | -29.3 | 0 | 0 | 0 | 110.1 | ||||
| 69 | D | 36.2 | Very low | 36.8 | Very low | 159 Ų | 159 | 157.3 Ų | 157.3 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -65.2 | 149.1 | -171.8 | -80.8 | -50.7 | 0 | 0 | 0 | 115.5 | ||||
| 70 | T | 35.4 | Very low | 37.4 | Very low | 143 Ų | 143 | 156.9 Ų | 156.9 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | -158.4 | 138.4 | 127 | 1.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 71 | D | 39.8 | Very low | 37.9 | Very low | 144 Ų | 144 | 157.5 Ų | 157.5 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -55.1 | 139 | -174.4 | 179.5 | 29.3 | 0 | 0 | 0 | 115.5 | ||||
| 72 | L | 37.9 | Very low | 38.5 | Very low | 151 Ų | 151 | 158 Ų | 158 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -161.1 | 85.1 | 167.5 | -122.3 | 159.4 | 0 | 0 | 0 | 110.1 | L74 | L72-L74 PolarHBondContact O-N 3.02Š| ||
| 73 | D | 35 | Very low | 39.7 | Very low | 122 Ų | 122 | 154.5 Ų | 154.5 | 65% | 0.652 | 78% | 0.776 | S | S | * | * | trans | -61.1 | 90.6 | 176.9 | -177.8 | 30.5 | 0 | 0 | 0 | 112.4 | R75 | D73-R75 PolarHBondContact O-N 2.57Š| ||
| 74 | L | 36.3 | Very low | 41.1 | Very low | 147 Ų | 147 | 152.1 Ų | 152.1 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -86.7 | 89.8 | 166.7 | -93.2 | 162.1 | 0 | 0 | 0 | 109.3 | L72 Y76 | L72-L74 PolarHBondContact O-N 3.02Å; L74-Y76 PolarHBondContact O-N 3.06Å | ||
| 75 | R | 35.5 | Very low | 42.7 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | -50.4 | 111.8 | 170.2 | -77.1 | -171.4 | 170.1 | -160.9 | -4 | 110.8 | D73 D77 | D73-R75 PolarHBondContact O-N 2.57Å; R75-D77 PolarHBondContact O-N 2.99Å | ||
| 76 | Y | 34 | Very low | 44 | Very low | 219 Ų | 219 | 147.5 Ų | 147.5 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | trans | -81 | 92.4 | 170.8 | -130.1 | -91.2 | 0 | 0 | 0 | 107.9 | L74 T78 | L74-Y76 PolarHBondContact O-N 3.06Å; Y76-T78 PolarHBondContact O-N 3.48Å | ||
| 77 | D | 40.9 | Very low | 45.5 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -64 | 118 | 169.1 | -80.7 | -34.8 | 0 | 0 | 0 | 108.7 | R75 P79 | R75-D77 PolarHBondContact O-N 2.99Å; D77-P79 WeakPolarHBondContact O-CD 3.39Å |
| 78 | T | 41 | Very low | 46.7 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 122.4 | 176.8 | -51.2 | 0 | 0 | 0 | 0 | 108.7 | Y76 E80 | Y76-T78 PolarHBondContact O-N 3.48Å; T78-E80 PolarHBondContact O-N 3.05Å; T78-E80 VanDerWaalsContact O-N 3.14Å |
| 79 | P | 46.7 | Very low | 48.1 | Very low | 108 Ų | 108 | 139.3 Ų | 139.3 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 118.2 | 178.4 | -18.3 | 31.1 | 0 | 0 | 0 | 110.3 | D77 | D77-P79 WeakPolarHBondContact O-CD 3.39Š|
| 80 | E | 53.3 | Low | 49.4 | Very low | 169 Ų | 169 | 140.7 Ų | 140.7 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 137.3 | 165.6 | -75.6 | -83.6 | 137.2 | 0 | 0 | 109.8 | T78 Y82 | T78-E80 PolarHBondContact O-N 3.05Å; T78-E80 VanDerWaalsContact O-N 3.14Å; E80-Y82 PolarHBondContact O-N 2.6Å; E80-Y82 VanDerWaalsContact O-N 3.13Å |
| 81 | P | 48.9 | Very low | 50.4 | Low | 117 Ų | 117 | 137.4 Ų | 137.4 | 76% | 0.76 | 67% | 0.669 | S | S | * | * | trans | -67 | 115.3 | 176.5 | 27.8 | -32.5 | 0 | 0 | 0 | 109.5 | S83 | P81-S83 PolarHBondContact O-N 3.04Š| ||
| 82 | Y | 49.8 | Very low | 51.1 | Low | 202 Ų | 202 | 138.5 Ų | 138.5 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | trans | -47.6 | 133.5 | 176.1 | -81.7 | -94.5 | 0 | 0 | 0 | 111.7 | E80 | E80-Y82 PolarHBondContact O-N 2.6Å; E80-Y82 VanDerWaalsContact O-N 3.13Å | ||
| 83 | S | 62.2 | Low | 51.5 | Low | 48 Ų | 48 | 137.6 Ų | 137.6 | 34% | 0.336 | 66% | 0.658 | S | S | . | * | trans | -67.5 | 141.4 | 172.4 | 88.2 | 0 | 0 | 0 | 0 | 109.9 | P81 Q85 D86 | P81-S83 PolarHBondContact O-N 3.04Å; S83-Q85 PolarHBondContact O-N 2.92Å; S83-D86 WeakPolarHBondContact CB-OD2 3.46Å; S83-D86 PolarHBondContact O-N 2.73Å; S83-D86 VanDerWaalsContact OG-CG 3.28Å; S83-D86 PolarHBondContact OG-N 2.83Å; S83-D86 PolarHBondContact OG-OD2 2.04Å | ||
| 84 | E | 61.3 | Low | 52.3 | Low | 151 Ų | 151 | 135.6 Ų | 135.6 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.2 | -28.5 | 175.6 | -67.8 | -168.2 | 145.9 | 0 | 0 | 111.3 | L87 W88 | E84-L87 PolarHBondContact O-N 3.34Å; E84-W88 PolarHBondContact O-N 3.4Å; E84-W88 VanDerWaalsContact O-N 3.1Å |
| 85 | Q | 65.1 | Low | 52.9 | Low | 134 Ų | 134 | 133.6 Ų | 133.6 | 63% | 0.626 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -54.5 | -52.3 | 172.7 | -95 | 74.5 | 15.3 | 0 | 0 | 112.6 | S83 L87 W88 D89 | S83-Q85 PolarHBondContact O-N 2.92Å; Q85-L87 PolarHBondContact O-N 2.74Å; Q85-W88 PolarHBondContact O-N 2.96Å; Q85-W88 VanDerWaalsContact O-N 3.13Å; Q85-D89 PolarHBondContact O-N 3.04Å |
| 86 | D | 60.2 | Low | 53.6 | Low | 98 Ų | 98 | 131 Ų | 131 | 52% | 0.524 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -61.2 | -34.1 | -177.1 | -64.8 | -59.7 | 0 | 0 | 0 | 112.2 | S83 W90 | S83-D86 WeakPolarHBondContact CB-OD2 3.46Å; S83-D86 PolarHBondContact O-N 2.73Å; S83-D86 VanDerWaalsContact OG-CG 3.28Å; S83-D86 PolarHBondContact OG-N 2.83Å; S83-D86 PolarHBondContact OG-OD2 2.04Å; D86-W90 WeakPolarHBondContact O-CB 3.33Å; D86-W90 PolarHBondContact O-N 2.8Å |
| 87 | L | 63.5 | Low | 54.2 | Low | 104 Ų | 104 | 128.2 Ų | 128.2 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -70.9 | -40.2 | 178.8 | -155.9 | 154.7 | 0 | 0 | 0 | 111.3 | E84 Q85 L91 | E84-L87 PolarHBondContact O-N 3.34Å; Q85-L87 PolarHBondContact O-N 2.74Å; L87-L91 HydrophobicContact CD2-CD1 3.92Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.91Å |
| 88 | W | 64 | Low | 54.1 | Low | 157 Ų | 157 | 128 Ų | 128 | 60% | 0.595 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70.1 | -34 | 173.5 | -73.6 | 117.1 | 0 | 0 | 0 | 113.4 | E84 Q85 L91 R92 | E84-W88 PolarHBondContact O-N 3.4Å; E84-W88 VanDerWaalsContact O-N 3.1Å; Q85-W88 PolarHBondContact O-N 2.96Å; Q85-W88 VanDerWaalsContact O-N 3.13Å; W88-L91 HydrophobicContact CE3-CD1 3.79Å; W88-L91 HydrophobicContact CZ3-CD1 3.87Å; W88-L91 PolarHBondContact O-N 3.3Å; W88-R92 WeakPolarHBondContact O-CB 3.19Å; W88-R92 PolarHBondContact O-N 3.32Å |
| 89 | D | 62.2 | Low | 54.1 | Low | 87 Ų | 87 | 130 Ų | 130 | 47% | 0.465 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -75.7 | -34.4 | 178.3 | -72.6 | -19.6 | 0 | 0 | 0 | 112 | Q85 R92 N93 | Q85-D89 PolarHBondContact O-N 3.04Å; D89-R92 PolarHBondContact O-N 3.26Å; D89-R92 IonicContact OD1-NE 3.86Å; D89-R92 IonicContact OD1-NH2 3.79Å; D89-N93 WeakPolarHBondContact O-CB 3.21Å; D89-N93 PolarHBondContact O-N 2.85Å |
| 90 | W | 63.4 | Low | 53.7 | Low | 188 Ų | 188 | 130.7 Ų | 130.7 | 71% | 0.712 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -61.6 | -44.4 | 168.7 | -170.5 | 87.4 | 0 | 0 | 0 | 112.3 | D86 R92 N93 S94 | D86-W90 WeakPolarHBondContact O-CB 3.33Å; D86-W90 PolarHBondContact O-N 2.8Å; W90-R92 VanDerWaalsContact C-N 3.33Å; W90-R92 PolarHBondContact O-N 2.81Å; W90-N93 PolarHBondContact O-N 2.9Å; W90-S94 PolarHBondContact O-N 2.97Å |
| 91 | L | 57.5 | Low | 53.3 | Low | 75 Ų | 75 | 131.9 Ų | 131.9 | 39% | 0.393 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -61.3 | -40.2 | 175.2 | -76.8 | 168.7 | 0 | 0 | 0 | 112.1 | L87 W88 S94 | L87-L91 HydrophobicContact CD2-CD1 3.92Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.91Å; W88-L91 HydrophobicContact CE3-CD1 3.79Å; W88-L91 HydrophobicContact CZ3-CD1 3.87Å; W88-L91 PolarHBondContact O-N 3.3Å; L91-S94 PolarHBondContact O-N 2.85Å |
| 92 | R | 54.3 | Low | 53.1 | Low | 167 Ų | 167 | 132.4 Ų | 132.4 | 63% | 0.63 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.7 | -39.1 | -179.9 | -156.2 | -178.5 | -50.3 | -147.2 | 6 | 112.4 | W88 D89 W90 S94 T95 | W88-R92 WeakPolarHBondContact O-CB 3.19Å; W88-R92 PolarHBondContact O-N 3.32Å; D89-R92 PolarHBondContact O-N 3.26Å; D89-R92 IonicContact OD1-NE 3.86Å; D89-R92 IonicContact OD1-NH2 3.79Å; W90-R92 VanDerWaalsContact C-N 3.33Å; W90-R92 PolarHBondContact O-N 2.81Å; R92-S94 VanDerWaalsContact C-N 3.27Å; R92-S94 PolarHBondContact O-N 3.01Å; R92-T95 PolarHBondContact O-N 2.85Å; R92-T95 PolarHBondContact O-OG1 2.85Å |
| 93 | N | 47 | Very low | 52.8 | Low | 131 Ų | 131 | 133.4 Ų | 133.4 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.2 | -24.8 | 177.9 | -148.7 | 10.8 | 0 | 0 | 0 | 112.3 | D89 W90 T95 | D89-N93 WeakPolarHBondContact O-CB 3.21Å; D89-N93 PolarHBondContact O-N 2.85Å; W90-N93 PolarHBondContact O-N 2.9Å; N93-T95 VanDerWaalsContact C-N 3.32Å; N93-T95 PolarHBondContact O-N 3.02Å |
| 94 | S | 50.7 | Low | 52.1 | Low | 80 Ų | 80 | 135.4 Ų | 135.4 | 56% | 0.559 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -13.1 | 175.8 | -162.8 | 0 | 0 | 0 | 0 | 114.2 | W90 L91 R92 | W90-S94 PolarHBondContact O-N 2.97Å; L91-S94 PolarHBondContact O-N 2.85Å; R92-S94 VanDerWaalsContact C-N 3.27Å; R92-S94 PolarHBondContact O-N 3.01Å |
| 95 | T | 49.1 | Very low | 51.3 | Low | 106 Ų | 106 | 137.8 Ų | 137.8 | 65% | 0.65 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -89.9 | -17.7 | -178.4 | 32.3 | 0 | 0 | 0 | 0 | 115.9 | R92 N93 | R92-T95 PolarHBondContact O-N 2.85Å; R92-T95 PolarHBondContact O-OG1 2.85Å; N93-T95 VanDerWaalsContact C-N 3.32Å; N93-T95 PolarHBondContact O-N 3.02Å |
| 96 | D | 50.4 | Low | 50.5 | Low | 145 Ų | 145 | 142.4 Ų | 142.4 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -109.3 | 6.8 | -166.1 | -140.1 | 13.6 | 0 | 0 | 0 | 115.6 | ||
| 97 | L | 45.8 | Very low | 50.5 | Low | 160 Ų | 160 | 147 Ų | 147 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | trans | -122.8 | 34.6 | 171.4 | -72.1 | 178.3 | 0 | 0 | 0 | 112.8 | E99 | L97-E99 PolarHBondContact O-N 2.89Å; L97-E99 VanDerWaalsContact O-N 3.09Å | ||
| 98 | Q | 39.3 | Very low | 49.7 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 63% | 0.631 | 71% | 0.711 | S | S | * | * | trans | -82.1 | 84.6 | 169.6 | -163.3 | 164.4 | 121.3 | 0 | 0 | 110.5 | ||||
| 99 | E | 42 | Very low | 49.3 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | trans | -41.7 | 140.5 | 157.1 | -102.1 | -169.1 | 146 | 0 | 0 | 109.6 | L97 R101 | L97-E99 PolarHBondContact O-N 2.89Å; L97-E99 VanDerWaalsContact O-N 3.09Å; E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 2.89Å | ||
| 100 | P | 38.4 | Very low | 49.1 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | trans | -65.9 | 92.3 | -175.9 | 26.9 | -34.3 | 0 | 0 | 0 | 110.1 | P102 | P100-P102 VanDerWaalsContact O-N 3.1Š| ||
| 101 | R | 44.2 | Very low | 48.5 | Very low | 194 Ų | 194 | 147 Ų | 147 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | trans | -43.4 | 120.4 | 175.8 | -75.1 | 179.2 | 170.3 | 176.2 | -2.1 | 108.1 | E99 R103 | E99-R101 VanDerWaalsContact C-N 3.31Å; E99-R101 PolarHBondContact O-N 2.89Å; R101-R103 PolarHBondContact O-N 2.89Å | ||
| 102 | P | 44 | Very low | 48.2 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 83% | 0.831 | 75% | 0.749 | S | S | * | * | trans | -60.3 | 104.7 | -178.3 | 22.4 | -32.2 | 0 | 0 | 0 | 107.9 | P100 A104 | P100-P102 VanDerWaalsContact O-N 3.1Å; P102-A104 PolarHBondContact O-N 2.92Å | ||
| 103 | R | 43.4 | Very low | 48 | Very low | 223 Ų | 223 | 146 Ų | 146 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | trans | -46.7 | 108.5 | -174.6 | -177 | -177.2 | -165.9 | 167 | 6.1 | 108 | R101 K105 | R101-R103 PolarHBondContact O-N 2.89Å; R103-K105 PolarHBondContact O-N 2.89Å | ||
| 104 | A | 49 | Very low | 48.1 | Very low | 90 Ų | 90 | 148.9 Ų | 148.9 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | -47.7 | 111.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | P102 R106 | P102-A104 PolarHBondContact O-N 2.92Å; A104-R106 PolarHBondContact O-N 2.85Å | ||
| 105 | K | 43.7 | Very low | 47.9 | Very low | 202 Ų | 202 | 155 Ų | 155 | 88% | 0.878 | 78% | 0.779 | S | S | * | * | trans | -55.5 | 111.7 | -175.2 | -84 | -178.2 | 176.5 | 174.9 | 0 | 106.2 | R103 R107 | R103-K105 PolarHBondContact O-N 2.89Å; K105-R107 PolarHBondContact O-N 3.5Å | ||
| 106 | R | 49.1 | Very low | 48.2 | Very low | 230 Ų | 230 | 156.5 Ų | 156.5 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -50.9 | 116.8 | 176.8 | -81.7 | -178.9 | 170.4 | 172 | -4.2 | 106.3 | A104 | A104-R106 PolarHBondContact O-N 2.85Š| ||
| 107 | R | 59.4 | Low | 48.6 | Very low | 194 Ų | 194 | 155.7 Ų | 155.7 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | -48.3 | 139.1 | 173.7 | -63.5 | 179.5 | 178.2 | -149.6 | -7.8 | 107.3 | K105 I109 | K105-R107 PolarHBondContact O-N 3.5Å; R107-I109 PolarHBondContact O-N 3.29Å | ||
| 108 | P | 47.1 | Very low | 49.2 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | -54.3 | 115.1 | 169.8 | -21 | 31.7 | 0 | 0 | 0 | 107.5 | V110 | P108-V110 VanDerWaalsContact C-N 3.32Å; P108-V110 PolarHBondContact O-N 3.48Å | ||
| 109 | I | 54.8 | Low | 50.6 | Low | 147 Ų | 147 | 144.4 Ų | 144.4 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | trans | -66.4 | 100.8 | 175.1 | -71 | 172.8 | 0 | 0 | 0 | 105.8 | R107 K111 | R107-I109 PolarHBondContact O-N 3.29Å; I109-K111 VanDerWaalsContact C-N 3.3Å; I109-K111 PolarHBondContact O-N 3.41Å | ||
| 110 | V | 58.5 | Low | 51.7 | Low | 83 Ų | 83 | 139 Ų | 139 | 50% | 0.503 | 70% | 0.699 | S | S | . | * | trans | -64.9 | 98.4 | 167.7 | -179.3 | 0 | 0 | 0 | 0 | 105.5 | P108 T112 Y261 | P108-V110 VanDerWaalsContact C-N 3.32Å; P108-V110 PolarHBondContact O-N 3.48Å; V110-T112 PolarHBondContact O-N 2.76Å; V110-Y261 HydrophobicContact CG2-CE2 4.2Å | ||
| 111 | K | 50 | Low | 53.2 | Low | 185 Ų | 185 | 134.5 Ų | 134.5 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | trans | -56.6 | 102.3 | -174.4 | -67.5 | -178.7 | 178.7 | 179.6 | 0 | 109.9 | I109 G113 | I109-K111 VanDerWaalsContact C-N 3.3Å; I109-K111 PolarHBondContact O-N 3.41Å; K111-G113 PolarHBondContact O-N 3.09Å | ||
| 112 | T | 52 | Low | 54.6 | Low | 147 Ų | 147 | 126.4 Ų | 126.4 | 90% | 0.902 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 112.1 | 165.3 | 24.1 | 0 | 0 | 0 | 0 | 108.2 | V110 | V110-T112 PolarHBondContact O-N 2.76Š|
| 113 | G | 49.3 | Very low | 56.6 | Low | 74 Ų | 74 | 126.6 Ų | 126.6 | 76% | 0.763 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.8 | -12.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | K111 | K111-G113 PolarHBondContact O-N 3.09Š|
| 114 | K | 49.1 | Very low | 59 | Low | 193 Ų | 193 | 117.1 Ų | 117.1 | 84% | 0.839 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -139.2 | 149.7 | 166.6 | -62.9 | -170 | 179.3 | -172.6 | 0 | 109 | K116 | K114-K116 PolarHBondContact O-N 2.77Å; K114-K116 VanDerWaalsContact O-N 3.09Å |
| 115 | F | 48 | Very low | 61.2 | Low | 208 Ų | 208 | 118.9 Ų | 118.9 | 91% | 0.912 | 60% | 0.595 | S | S | * | * | trans | -23.6 | 106.3 | -176.9 | -127.4 | -101.1 | 0 | 0 | 0 | 113 | K117 | F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 2.71Å | ||
| 116 | K | 54.8 | Low | 63.7 | Low | 137 Ų | 137 | 110 Ų | 110 | 60% | 0.596 | 56% | 0.559 | S | S | * | * | trans | -68.7 | 93.8 | -179.7 | -177.9 | -175 | 178.1 | -179.4 | 0 | 108.1 | K114 M118 Y261 | K114-K116 PolarHBondContact O-N 2.77Å; K114-K116 VanDerWaalsContact O-N 3.09Å; K116-M118 WeakPolarHBondContact O-CG 3.4Å; K116-M118 PolarHBondContact O-N 2.86Å; K116-Y261 WeakPolarHBondContact CE-OH 3.3Å | ||
| 117 | K | 58.8 | Low | 66 | Low | 129 Ų | 129 | 103 Ų | 103 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | trans | -54.1 | 108.6 | 171.2 | -165.4 | -163.6 | 176 | -154.3 | 0 | 107.2 | F115 F119 G120 W121 | F115-K117 VanDerWaalsContact C-N 3.34Å; F115-K117 PolarHBondContact O-N 2.71Å; K117-F119 WeakPolarHBondContact CD-O 3.07Å; K117-F119 WeakPolarHBondContact CE-O 3.07Å; K117-F119 VanDerWaalsContact CG-O 3.32Å; K117-F119 WeakPolarHBondContact CG-O 3.47Å; K117-F119 PolarHBondContact NZ-O 2.87Å; K117-F119 PolarHBondContact O-N 2.9Å; K117-G120 PolarHBondContact NZ-O 2.95Å; K117-W121 PolarHBondContact NZ-O 2.85Å | ||
| 118 | M | 59 | Low | 67.7 | Low | 47 Ų | 47 | 94.7 Ų | 94.7 | 23% | 0.232 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -77 | -14.5 | -169.9 | -62.6 | -175.9 | -56.7 | 0 | 0 | 113.1 | K116 D143 K233 | K116-M118 WeakPolarHBondContact O-CG 3.4Å; K116-M118 PolarHBondContact O-N 2.86Å; M118-D143 HydrophobicContact CE-CB 4.41Å; M118-D143 VanDerWaalsContact CE-CG 3.44Å; M118-D143 WeakPolarHBondContact CE-OD2 3.42Å; M118-K233 VanDerWaalsContact CE-NZ 3.28Å; M118-K233 VanDerWaalsContact SD-CE 3.52Å; M118-K233 PolarHBondContact SD-NZ 3.34Å |
| 119 | F | 67.8 | Low | 70.1 | Confident | 10 Ų | 10 | 96.2 Ų | 96.2 | 4% | 0.044 | 50% | 0.503 | C | S | . | . | trans | -120.2 | 128.5 | 177.7 | -59.5 | -75.2 | 0 | 0 | 0 | 109.2 | K117 I141 F149 F235 D258 | K117-F119 WeakPolarHBondContact CD-O 3.07Å; K117-F119 WeakPolarHBondContact CE-O 3.07Å; K117-F119 VanDerWaalsContact CG-O 3.32Å; K117-F119 WeakPolarHBondContact CG-O 3.47Å; K117-F119 PolarHBondContact NZ-O 2.87Å; K117-F119 PolarHBondContact O-N 2.9Å; F119-I141 HydrophobicContact CB-CD1 4.28Å; F119-I141 HydrophobicContact CB-CG2 4.47Å; F119-I141 HydrophobicContact CD1-CD1 3.5Å; F119-I141 VanDerWaalsContact CD1-CD1 3.5Å; F119-I141 HydrophobicContact CD2-CD1 3.6Å; F119-I141 HydrophobicContact CD2-CG1 4.03Å; F119-I141 HydrophobicContact CE1-CD1 3.54Å; F119-I141 HydrophobicContact CE2-CD1 3.66Å; F119-I141 HydrophobicContact CE2-CG1 4.09Å; F119-I141 HydrophobicContact CG-CD1 3.51Å; F119-I141 HydrophobicContact CG-CG1 4.33Å; F119-I141 HydrophobicContact CZ-CD1 3.62Å; F119-I141 HydrophobicContact CZ-CG1 4.44Å; F119-F149 HydrophobicContact CE1-CD2 4.3Å; F119-F149 HydrophobicContact CE1-CE1 4.38Å; F119-F149 AromaticContact CE1-CE2 3.94Å; F119-F149 HydrophobicContact CE1-CE2 3.94Å; F119-F149 AromaticContact CE1-CZ 3.97Å; F119-F149 HydrophobicContact CE1-CZ 3.97Å; F119-F149 HydrophobicContact CE2-CB 4.13Å; F119-F149 HydrophobicContact CE2-CD1 4.32Å; F119-F149 HydrophobicContact CE2-CD2 4.02Å; F119-F149 HydrophobicContact CE2-CE2 4.48Å; F119-F149 AromaticContact CE2-CG 3.9Å; F119-F149 HydrophobicContact CE2-CG 3.9Å; F119-F149 HydrophobicContact CZ-CB 4.28Å; F119-F149 AromaticContact CZ-CD1 3.67Å; F119-F149 HydrophobicContact CZ-CD1 3.67Å; F119-F149 AromaticContact CZ-CD2 3.54Å; F119-F149 HydrophobicContact CZ-CD2 3.54Å; F119-F149 AromaticContact CZ-CE1 3.74Å; F119-F149 HydrophobicContact CZ-CE1 3.74Å; F119-F149 AromaticContact CZ-CE2 3.59Å; F119-F149 HydrophobicContact CZ-CE2 3.59Å; F119-F149 AromaticContact CZ-CG 3.55Å; F119-F149 HydrophobicContact CZ-CG 3.55Å; F119-F149 AromaticContact CZ-CZ 3.68Å; F119-F149 HydrophobicContact CZ-CZ 3.68Å; F119-F235 HydrophobicContact CD1-CE2 4.5Å; F119-F235 HydrophobicContact CE1-CD2 4.49Å; F119-F235 AromaticContact CE1-CE2 3.43Å; F119-F235 HydrophobicContact CE1-CE2 3.43Å; F119-F235 VanDerWaalsContact CE1-CE2 3.43Å; F119-F235 AromaticContact CE1-CZ 3.59Å; F119-F235 HydrophobicContact CE1-CZ 3.59Å; F119-F235 HydrophobicContact CE2-CZ 4.16Å; F119-F235 HydrophobicContact CZ-CE1 4.11Å; F119-F235 AromaticContact CZ-CE2 3.61Å; F119-F235 HydrophobicContact CZ-CE2 3.61Å; F119-F235 AromaticContact CZ-CZ 3.22Å; F119-F235 HydrophobicContact CZ-CZ 3.22Å; F119-D258 WeakPolarHBondContact CA-OD2 3.25Å | ||
| 120 | G | 64.3 | Low | 72 | Confident | 56 Ų | 56 | 90.6 Ų | 90.6 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -68.1 | -39.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K117 D258 | K117-G120 PolarHBondContact NZ-O 2.95Å; G120-D258 WeakPolarHBondContact CA-OD1 3.43Å; G120-D258 VanDerWaalsContact N-CG 3.35Å; G120-D258 PolarHBondContact N-OD1 2.89Å; G120-D258 PolarHBondContact N-OD2 3.31Å; G120-D258 VanDerWaalsContact N-OD2 3.14Å |
| 121 | W | 70.8 | Confident | 73.6 | Confident | 26 Ų | 26 | 93.1 Ų | 93.1 | 10% | 0.098 | 49% | 0.491 | C | S | . | . | trans | -79 | 164.7 | 174.9 | 54.3 | -61 | 0 | 0 | 0 | 112.2 | K117 F124 I141 V151 I238 I240 P257 D258 | K117-W121 PolarHBondContact NZ-O 2.85Å; W121-F124 HydrophobicContact CE3-CB 4.42Å; W121-F124 HydrophobicContact CZ3-CB 4.5Å; W121-I141 HydrophobicContact CH2-CD1 4.15Å; W121-I141 HydrophobicContact CZ2-CD1 3.92Å; W121-V151 HydrophobicContact CH2-CG1 4.42Å; W121-I238 HydrophobicContact CH2-CD1 4.09Å; W121-I238 HydrophobicContact CZ2-CD1 3.73Å; W121-I238 HydrophobicContact CZ2-CG1 4Å; W121-I240 HydrophobicContact CH2-CD1 4.31Å; W121-I240 HydrophobicContact CZ3-CD1 3.98Å; W121-P257 HydrophobicContact CB-CB 4.04Å; W121-P257 VanDerWaalsContact CD1-CB 3.48Å; W121-P257 HydrophobicContact CD2-CB 4.09Å; W121-P257 HydrophobicContact CD2-CG 3.94Å; W121-P257 HydrophobicContact CE3-CG 4.4Å; W121-P257 HydrophobicContact CG-CB 3.64Å; W121-P257 HydrophobicContact CG-CG 4.03Å; W121-D258 VanDerWaalsContact CD1-CG 3.41Å; W121-D258 PolarHBondContact NE1-OD2 2.98Å | ||
| 122 | G | 72.9 | Confident | 75.6 | Confident | 25 Ų | 25 | 88.6 Ų | 88.6 | 26% | 0.258 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -138.7 | -61.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I141 | G122-I141 PolarHBondContact O-N 2.9Š|
| 123 | D | 87.7 | Confident | 77.6 | Confident | 131 Ų | 131 | 81.8 Ų | 81.8 | 70% | 0.701 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.2 | 172.4 | -54.3 | -55.3 | 0 | 0 | 0 | 109.3 | G139 | D123-G139 CarbonylContact C-O 3.6Å; D123-G139 WeakPolarHBondContact CA-O 3.49Å |
| 124 | F | 93.1 | Very high | 79.9 | Confident | 25 Ų | 25 | 81.1 Ų | 81.1 | 11% | 0.11 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 142 | 174 | 173.1 | -101.2 | 0 | 0 | 0 | 109.5 | W121 I137 T138 G139 F153 I240 I242 V255 | W121-F124 HydrophobicContact CE3-CB 4.42Å; W121-F124 HydrophobicContact CZ3-CB 4.5Å; F124-I137 HydrophobicContact CD1-CG2 4.27Å; F124-I137 HydrophobicContact CE1-CG2 3.99Å; F124-T138 CarbonylContact O-C 3.56Å; F124-T138 WeakPolarHBondContact O-CA 3.35Å; F124-G139 PolarHBondContact N-O 2.92Å; F124-G139 PolarHBondContact O-N 2.82Å; F124-F153 HydrophobicContact CD1-CE1 4.36Å; F124-I240 HydrophobicContact CB-CD1 4.09Å; F124-I240 HydrophobicContact CD1-CD1 3.77Å; F124-I240 HydrophobicContact CD2-CD1 3.52Å; F124-I240 HydrophobicContact CE1-CD1 4.04Å; F124-I240 HydrophobicContact CE1-CG2 4.23Å; F124-I240 HydrophobicContact CE2-CD1 3.82Å; F124-I240 HydrophobicContact CG-CD1 3.49Å; F124-I240 VanDerWaalsContact CG-CD1 3.49Å; F124-I240 HydrophobicContact CZ-CD1 4.06Å; F124-I240 HydrophobicContact CZ-CG2 4.39Å; F124-I242 HydrophobicContact CE1-CD1 4.21Å; F124-I242 HydrophobicContact CZ-CD1 3.93Å; F124-V255 HydrophobicContact CE2-CB 4.47Å; F124-V255 HydrophobicContact CE2-CG1 4.32Å; F124-V255 HydrophobicContact CE2-CG2 4.44Å |
| 125 | H | 94.6 | Very high | 82.2 | Confident | 126 Ų | 126 | 72 Ų | 72 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 135.3 | 177.9 | -175.9 | 80 | 0 | 0 | 0 | 110.1 | I137 | H125-I137 WeakPolarHBondContact CA-O 3.43Å |
| 126 | S | 96.3 | Very high | 84.5 | Confident | 16 Ų | 16 | 65 Ų | 65 | 11% | 0.112 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 140.1 | 171.6 | -178.2 | 0 | 0 | 0 | 0 | 110.5 | I137 | S126-I137 PolarHBondContact N-O 2.84Å; S126-I137 PolarHBondContact O-N 2.86Å |
| 127 | N | 96.7 | Very high | 86.6 | Confident | 83 Ų | 83 | 58.4 Ų | 58.4 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 127.8 | 170.2 | 179.2 | -120 | 0 | 0 | 0 | 109.4 | N134 L135 L136 | N127-N134 PolarHBondContact ND2-OD1 3.49Å; N127-L135 WeakPolarHBondContact CA-O 3.37Å; N127-L135 PolarHBondContact ND2-O 2.86Å; N127-L136 HydrophobicContact CB-CD1 4.05Å |
| 128 | I | 97 | Very high | 88.4 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 10% | 0.103 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.1 | 176 | -60.5 | 158 | 0 | 0 | 0 | 106.3 | L135 I242 F244 L251 | I128-L135 HydrophobicContact CB-CB 4.49Å; I128-L135 HydrophobicContact CD1-CD2 4.32Å; I128-L135 PolarHBondContact N-O 2.82Å; I128-L135 PolarHBondContact O-N 2.79Å; I128-I242 HydrophobicContact CD1-CG2 3.8Å; I128-F244 HydrophobicContact CB-CD2 3.98Å; I128-F244 HydrophobicContact CB-CE2 4.16Å; I128-F244 HydrophobicContact CD1-CB 4.44Å; I128-F244 HydrophobicContact CG2-CB 4.37Å; I128-F244 HydrophobicContact CG2-CD1 4.05Å; I128-F244 HydrophobicContact CG2-CD2 3.55Å; I128-F244 HydrophobicContact CG2-CE1 4.19Å; I128-F244 HydrophobicContact CG2-CE2 3.68Å; I128-F244 HydrophobicContact CG2-CG 3.74Å; I128-F244 HydrophobicContact CG2-CZ 4Å; I128-L251 HydrophobicContact CD1-CD2 3.92Å |
| 129 | K | 96.4 | Very high | 90.1 | Very high | 153 Ų | 153 | 53.1 Ų | 53.1 | 67% | 0.665 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 127.4 | -171.8 | -175.3 | -179 | 177.2 | -173.2 | 0 | 111.2 | N134 | K129-N134 HydrophobicContact CG-CB 4.26Å |
| 130 | T | 95.1 | Very high | 91.3 | Very high | 29 Ų | 29 | 58.1 Ų | 58.1 | 18% | 0.178 | 32% | 0.315 | C | S | . | . | trans | -118.6 | -170.6 | 169.8 | 72.8 | 0 | 0 | 0 | 0 | 110.1 | K132 L133 F244 D248 Y249 | T130-K132 VanDerWaalsContact C-N 3.34Å; T130-K132 PolarHBondContact OG1-N 2.89Å; T130-L133 PolarHBondContact N-O 2.84Å; T130-L133 PolarHBondContact OG1-N 3.06Å; T130-L133 PolarHBondContact OG1-O 2.84Å; T130-F244 HydrophobicContact CG2-CE1 3.56Å; T130-F244 HydrophobicContact CG2-CZ 3.7Å; T130-D248 WeakPolarHBondContact CB-OD1 3.18Å; T130-D248 WeakPolarHBondContact CB-OD2 3.17Å; T130-D248 VanDerWaalsContact OG1-CG 3.29Å; T130-D248 PolarHBondContact OG1-OD1 3.33Å; T130-D248 PolarHBondContact OG1-OD2 2.92Å; T130-D248 VanDerWaalsContact OG1-OD2 3.05Å; T130-Y249 HydrophobicContact CG2-CD2 3.92Å; T130-Y249 HydrophobicContact CG2-CG 4.34Å | ||
| 131 | V | 91.5 | Very high | 92.6 | Very high | 136 Ų | 136 | 56.5 Ų | 56.5 | 82% | 0.824 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -75.2 | -31.1 | 174.1 | -179 | 0 | 0 | 0 | 0 | 110.2 | D248 | V131-D248 PolarHBondContact N-OD2 3.14Š|
| 132 | K | 91.8 | Very high | 93.5 | Very high | 90 Ų | 90 | 57.6 Ų | 57.6 | 39% | 0.391 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -98.5 | -21.4 | -174.9 | -61.3 | -64.4 | -175.9 | 177.7 | 0 | 114.7 | T130 G159 Q160 S246 T247 D248 | T130-K132 VanDerWaalsContact C-N 3.34Å; T130-K132 PolarHBondContact OG1-N 2.89Å; K132-G159 CarbonylContact O-C 3.19Å; K132-G159 WeakPolarHBondContact O-CA 3.36Å; K132-Q160 PolarHBondContact O-N 3.3Å; K132-S246 WeakPolarHBondContact CB-OG 3.39Å; K132-T247 WeakPolarHBondContact CB-OG1 3.28Å; K132-T247 WeakPolarHBondContact CG-OG1 3.34Å; K132-D248 HydrophobicContact CB-CB 4.44Å; K132-D248 HydrophobicContact CG-CB 3.93Å; K132-D248 WeakPolarHBondContact CG-OD2 3.02Å; K132-D248 PolarHBondContact N-OD2 2.89Å |
| 133 | L | 94.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 135 | -179.1 | -176.8 | 64.7 | 0 | 0 | 0 | 112.3 | T130 V163 F244 S246 | T130-L133 PolarHBondContact N-O 2.84Å; T130-L133 PolarHBondContact OG1-N 3.06Å; T130-L133 PolarHBondContact OG1-O 2.84Å; L133-V163 HydrophobicContact CD2-CG1 3.87Å; L133-F244 HydrophobicContact CB-CE2 4.12Å; L133-F244 HydrophobicContact CB-CZ 3.7Å; L133-F244 HydrophobicContact CD2-CD2 4.09Å; L133-F244 HydrophobicContact CD2-CE1 4.27Å; L133-F244 HydrophobicContact CD2-CE2 3.62Å; L133-F244 HydrophobicContact CD2-CZ 3.72Å; L133-F244 HydrophobicContact CG-CE2 3.68Å; L133-F244 HydrophobicContact CG-CZ 3.78Å; L133-S246 WeakPolarHBondContact CB-OG 3.48Å |
| 134 | N | 96.8 | Very high | 94.4 | Very high | 61 Ų | 61 | 57 Ų | 57 | 33% | 0.326 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 135.4 | 169.2 | -176.8 | 28.3 | 0 | 0 | 0 | 109 | N127 K129 S157 T158 | N127-N134 PolarHBondContact ND2-OD1 3.49Å; K129-N134 HydrophobicContact CG-CB 4.26Å; N134-S157 CarbonylContact O-C 3.47Å; N134-S157 WeakPolarHBondContact O-CA 3.28Å; N134-T158 PolarHBondContact N-O 2.86Å; N134-T158 PolarHBondContact O-N 3.18Å |
| 135 | L | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 126.5 | 177.7 | 173.5 | 60.3 | 0 | 0 | 0 | 109.6 | N127 I128 I137 H155 V163 I242 F244 | N127-L135 WeakPolarHBondContact CA-O 3.37Å; N127-L135 PolarHBondContact ND2-O 2.86Å; I128-L135 HydrophobicContact CB-CB 4.49Å; I128-L135 HydrophobicContact CD1-CD2 4.32Å; I128-L135 PolarHBondContact N-O 2.82Å; I128-L135 PolarHBondContact O-N 2.79Å; L135-I137 HydrophobicContact CD1-CG1 3.98Å; L135-I137 HydrophobicContact CD2-CD1 3.93Å; L135-I137 HydrophobicContact CD2-CG1 4.27Å; L135-I137 HydrophobicContact CG-CD1 4.14Å; L135-I137 HydrophobicContact CG-CG1 3.96Å; L135-H155 HydrophobicContact CD1-CB 4.09Å; L135-V163 HydrophobicContact CB-CG1 4.38Å; L135-V163 HydrophobicContact CD1-CB 4.13Å; L135-V163 HydrophobicContact CD1-CG1 4.12Å; L135-V163 HydrophobicContact CD1-CG2 4.14Å; L135-V163 HydrophobicContact CD2-CB 3.99Å; L135-V163 HydrophobicContact CD2-CG1 3.8Å; L135-V163 HydrophobicContact CG-CG1 4.32Å; L135-I242 HydrophobicContact CD2-CG2 4.26Å; L135-F244 HydrophobicContact CB-CD2 3.88Å; L135-F244 HydrophobicContact CB-CE2 3.88Å; L135-F244 HydrophobicContact CD2-CD2 3.85Å |
| 136 | L | 97.9 | Very high | 93.8 | Very high | 61 Ų | 61 | 58.5 Ų | 58.5 | 32% | 0.319 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 122.8 | 173.9 | -173 | 68.8 | 0 | 0 | 0 | 109.1 | N127 H155 N156 | N127-L136 HydrophobicContact CB-CD1 4.05Å; L136-H155 CarbonylContact O-C 3.6Å; L136-H155 WeakPolarHBondContact O-CA 3.17Å; L136-N156 PolarHBondContact N-O 2.87Å; L136-N156 PolarHBondContact O-N 2.81Å |
| 137 | I | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.1 | -179.9 | -55.1 | 161.3 | 0 | 0 | 0 | 108.9 | F124 H125 S126 L135 F153 H155 V165 I242 | F124-I137 HydrophobicContact CD1-CG2 4.27Å; F124-I137 HydrophobicContact CE1-CG2 3.99Å; H125-I137 WeakPolarHBondContact CA-O 3.43Å; S126-I137 PolarHBondContact N-O 2.84Å; S126-I137 PolarHBondContact O-N 2.86Å; L135-I137 HydrophobicContact CD1-CG1 3.98Å; L135-I137 HydrophobicContact CD2-CD1 3.93Å; L135-I137 HydrophobicContact CD2-CG1 4.27Å; L135-I137 HydrophobicContact CG-CD1 4.14Å; L135-I137 HydrophobicContact CG-CG1 3.96Å; I137-F153 HydrophobicContact CG2-CD1 4.3Å; I137-H155 HydrophobicContact CB-CB 4.42Å; I137-H155 HydrophobicContact CG1-CB 3.89Å; I137-V165 HydrophobicContact CD1-CG2 3.55Å; I137-V165 HydrophobicContact CG1-CG2 3.89Å; I137-V165 HydrophobicContact CG2-CG1 4.32Å; I137-V165 HydrophobicContact CG2-CG2 4.29Å; I137-I242 HydrophobicContact CD1-CB 4.47Å; I137-I242 HydrophobicContact CD1-CD1 3.65Å; I137-I242 HydrophobicContact CD1-CG1 3.87Å; I137-I242 HydrophobicContact CD1-CG2 3.73Å |
| 138 | T | 96.9 | Very high | 93 | Very high | 61 Ų | 61 | 56 Ų | 56 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.9 | 163.8 | 57.1 | 0 | 0 | 0 | 0 | 109.7 | F124 F153 R154 | F124-T138 CarbonylContact O-C 3.56Å; F124-T138 WeakPolarHBondContact O-CA 3.35Å; T138-F153 WeakPolarHBondContact O-CA 3.42Å; T138-R154 PolarHBondContact N-O 2.82Å; T138-R154 PolarHBondContact O-N 2.73Å |
| 139 | G | 95.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D123 F124 Y152 | D123-G139 CarbonylContact C-O 3.6Å; D123-G139 WeakPolarHBondContact CA-O 3.49Å; F124-G139 PolarHBondContact N-O 2.92Å; F124-G139 PolarHBondContact O-N 2.82Å; G139-Y152 CarbonylContact C-O 3.38Å; G139-Y152 VanDerWaalsContact CA-O 3.24Å; G139-Y152 WeakPolarHBondContact CA-O 3.44Å |
| 140 | K | 93.3 | Very high | 92.6 | Very high | 115 Ų | 115 | 47.9 Ų | 47.9 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 136.3 | 173.4 | 179.3 | 173 | 179.3 | 176.5 | 0 | 110.6 | V142 V151 Y152 | K140-V142 HydrophobicContact CG-CG2 4.49Å; K140-V151 WeakPolarHBondContact O-CA 3.5Å; K140-Y152 PolarHBondContact N-O 2.99Å; K140-Y152 PolarHBondContact O-N 3.17Å |
| 141 | I | 90.9 | Very high | 92.5 | Very high | 21 Ų | 21 | 46.5 Ų | 46.5 | 11% | 0.108 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.1 | 175.4 | -163.9 | 152.6 | 0 | 0 | 0 | 111.8 | F119 W121 G122 F149 V151 | F119-I141 HydrophobicContact CB-CD1 4.28Å; F119-I141 HydrophobicContact CB-CG2 4.47Å; F119-I141 HydrophobicContact CD1-CD1 3.5Å; F119-I141 VanDerWaalsContact CD1-CD1 3.5Å; F119-I141 HydrophobicContact CD2-CD1 3.6Å; F119-I141 HydrophobicContact CD2-CG1 4.03Å; F119-I141 HydrophobicContact CE1-CD1 3.54Å; F119-I141 HydrophobicContact CE2-CD1 3.66Å; F119-I141 HydrophobicContact CE2-CG1 4.09Å; F119-I141 HydrophobicContact CG-CD1 3.51Å; F119-I141 HydrophobicContact CG-CG1 4.33Å; F119-I141 HydrophobicContact CZ-CD1 3.62Å; F119-I141 HydrophobicContact CZ-CG1 4.44Å; W121-I141 HydrophobicContact CH2-CD1 4.15Å; W121-I141 HydrophobicContact CZ2-CD1 3.92Å; G122-I141 PolarHBondContact O-N 2.9Å; I141-F149 HydrophobicContact CD1-CD2 3.62Å; I141-F149 HydrophobicContact CD1-CE2 3.72Å; I141-F149 HydrophobicContact CG1-CD2 3.81Å; I141-F149 HydrophobicContact CG1-CE2 4.37Å; I141-V151 HydrophobicContact CD1-CG2 4.03Å; I141-V151 HydrophobicContact CG1-CG2 4.15Å |
| 142 | V | 90.4 | Very high | 92.7 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 30% | 0.297 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 116.3 | 177.7 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | K140 F149 S150 Y152 | K140-V142 HydrophobicContact CG-CG2 4.49Å; V142-F149 CarbonylContact O-C 3.55Å; V142-F149 VanDerWaalsContact O-CA 3.23Å; V142-F149 WeakPolarHBondContact O-CA 3.4Å; V142-F149 WeakPolarHBondContact O-CB 3.31Å; V142-S150 PolarHBondContact N-O 3.41Å; V142-S150 PolarHBondContact O-N 3.13Å; V142-Y152 HydrophobicContact CB-CE2 4.09Å; V142-Y152 HydrophobicContact CG2-CD2 4.09Å; V142-Y152 HydrophobicContact CG2-CE2 3.74Å |
| 143 | D | 88.8 | Confident | 93 | Very high | 66 Ų | 66 | 40.5 Ų | 40.5 | 35% | 0.353 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 128.3 | 171.5 | 179.3 | 18.6 | 0 | 0 | 0 | 109.5 | M118 G145 | M118-D143 HydrophobicContact CE-CB 4.41Å; M118-D143 VanDerWaalsContact CE-CG 3.44Å; M118-D143 WeakPolarHBondContact CE-OD2 3.42Å; D143-G145 PolarHBondContact OD1-N 3.24Å |
| 144 | H | 89.6 | Confident | 93.2 | Very high | 79 Ų | 79 | 45.1 Ų | 45.1 | 37% | 0.366 | 24% | 0.243 | S | C | . | . | trans | -88.3 | -7.2 | 179.9 | -61.6 | -63.3 | 0 | 0 | 0 | 112.6 | N146 T148 S150 | H144-N146 WeakPolarHBondContact CB-OD1 3.35Å; H144-N146 PolarHBondContact O-N 2.96Å; H144-T148 WeakPolarHBondContact CB-O 3.33Å; H144-T148 PolarHBondContact CD2-OG1 3.44Å; H144-T148 PolarHBondContact N-O 3.5Å; H144-T148 VanDerWaalsContact N-O 3.1Å; H144-S150 WeakPolarHBondContact NE2-CB 3.43Å; H144-S150 PolarHBondContact NE2-N 3.45Å; H144-S150 PolarHBondContact NE2-OG 3.18Å | ||
| 145 | G | 86.8 | Confident | 93.2 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 64% | 0.639 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 73.2 | -21.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D143 G147 | D143-G145 PolarHBondContact OD1-N 3.24Å; G145-G147 PolarHBondContact O-N 3.31Å |
| 146 | N | 88.4 | Confident | 93.1 | Very high | 120 Ų | 120 | 45.1 Ų | 45.1 | 64% | 0.642 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -75.9 | 0.6 | 175 | 66.9 | 2.2 | 0 | 0 | 0 | 114.4 | H144 T148 | H144-N146 WeakPolarHBondContact CB-OD1 3.35Å; H144-N146 PolarHBondContact O-N 2.96Å; N146-T148 PolarHBondContact OD1-N 3.01Å; N146-T148 PolarHBondContact OD1-OG1 2.96Å |
| 147 | G | 86.3 | Confident | 93.1 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 101.6 | -4.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G145 K233 | G145-G147 PolarHBondContact O-N 3.31Å; G147-K233 WeakPolarHBondContact O-CB 3.39Å; G147-K233 VanDerWaalsContact O-CG 3.25Å; G147-K233 WeakPolarHBondContact O-CG 3.49Å; G147-K233 PolarHBondContact O-N 3.13Å |
| 148 | T | 90.3 | Very high | 93 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 17% | 0.172 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 164.5 | 167.7 | 71.6 | 0 | 0 | 0 | 0 | 111.5 | H144 N146 C231 | H144-T148 WeakPolarHBondContact CB-O 3.33Å; H144-T148 PolarHBondContact CD2-OG1 3.44Å; H144-T148 PolarHBondContact N-O 3.5Å; H144-T148 VanDerWaalsContact N-O 3.1Å; N146-T148 PolarHBondContact OD1-N 3.01Å; N146-T148 PolarHBondContact OD1-OG1 2.96Å; T148-C231 CarbonylContact C-O 3.54Å; T148-C231 WeakPolarHBondContact CA-O 3.41Å; T148-C231 VanDerWaalsContact CB-O 3.3Å; T148-C231 WeakPolarHBondContact CB-O 3.37Å |
| 149 | F | 91.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 151.5 | 171.7 | 68.2 | -79.7 | 0 | 0 | 0 | 109.1 | F119 I141 V142 V151 C231 F235 I238 | F119-F149 HydrophobicContact CE1-CD2 4.3Å; F119-F149 HydrophobicContact CE1-CE1 4.38Å; F119-F149 AromaticContact CE1-CE2 3.94Å; F119-F149 HydrophobicContact CE1-CE2 3.94Å; F119-F149 AromaticContact CE1-CZ 3.97Å; F119-F149 HydrophobicContact CE1-CZ 3.97Å; F119-F149 HydrophobicContact CE2-CB 4.13Å; F119-F149 HydrophobicContact CE2-CD1 4.32Å; F119-F149 HydrophobicContact CE2-CD2 4.02Å; F119-F149 HydrophobicContact CE2-CE2 4.48Å; F119-F149 AromaticContact CE2-CG 3.9Å; F119-F149 HydrophobicContact CE2-CG 3.9Å; F119-F149 HydrophobicContact CZ-CB 4.28Å; F119-F149 AromaticContact CZ-CD1 3.67Å; F119-F149 HydrophobicContact CZ-CD1 3.67Å; F119-F149 AromaticContact CZ-CD2 3.54Å; F119-F149 HydrophobicContact CZ-CD2 3.54Å; F119-F149 AromaticContact CZ-CE1 3.74Å; F119-F149 HydrophobicContact CZ-CE1 3.74Å; F119-F149 AromaticContact CZ-CE2 3.59Å; F119-F149 HydrophobicContact CZ-CE2 3.59Å; F119-F149 AromaticContact CZ-CG 3.55Å; F119-F149 HydrophobicContact CZ-CG 3.55Å; F119-F149 AromaticContact CZ-CZ 3.68Å; F119-F149 HydrophobicContact CZ-CZ 3.68Å; I141-F149 HydrophobicContact CD1-CD2 3.62Å; I141-F149 HydrophobicContact CD1-CE2 3.72Å; I141-F149 HydrophobicContact CG1-CD2 3.81Å; I141-F149 HydrophobicContact CG1-CE2 4.37Å; V142-F149 CarbonylContact O-C 3.55Å; V142-F149 VanDerWaalsContact O-CA 3.23Å; V142-F149 WeakPolarHBondContact O-CA 3.4Å; V142-F149 WeakPolarHBondContact O-CB 3.31Å; F149-V151 HydrophobicContact CD2-CG2 3.89Å; F149-V151 HydrophobicContact CE2-CG2 3.64Å; F149-C231 HydrophobicContact CD1-CB 3.68Å; F149-C231 WeakPolarHBondContact CD1-O 3.05Å; F149-C231 HydrophobicContact CD2-CB 4.15Å; F149-C231 HydrophobicContact CE1-CB 3.14Å; F149-C231 HydrophobicContact CE2-CB 3.7Å; F149-C231 HydrophobicContact CG-CB 4.17Å; F149-C231 HydrophobicContact CZ-CB 3.18Å; F149-C231 PolarHBondContact N-O 2.72Å; F149-C231 PolarHBondContact O-N 2.87Å; F149-F235 HydrophobicContact CD1-CD1 4.02Å; F149-F235 AromaticContact CD1-CE1 3.52Å; F149-F235 HydrophobicContact CD1-CE1 3.52Å; F149-F235 AromaticContact CD1-CZ 3.98Å; F149-F235 HydrophobicContact CD1-CZ 3.98Å; F149-F235 AromaticContact CE1-CD1 3.37Å; F149-F235 HydrophobicContact CE1-CD1 3.37Å; F149-F235 HydrophobicContact CE1-CD2 4.1Å; F149-F235 AromaticContact CE1-CE1 3.24Å; F149-F235 HydrophobicContact CE1-CE1 3.24Å; F149-F235 HydrophobicContact CE1-CE2 4.02Å; F149-F235 AromaticContact CE1-CG 3.82Å; F149-F235 HydrophobicContact CE1-CG 3.82Å; F149-F235 AromaticContact CE1-CZ 3.62Å; F149-F235 HydrophobicContact CE1-CZ 3.62Å; F149-F235 HydrophobicContact CZ-CD1 4.34Å; F149-F235 HydrophobicContact CZ-CD2 4.35Å; F149-F235 HydrophobicContact CZ-CE1 4.26Å; F149-F235 HydrophobicContact CZ-CE2 4.3Å; F149-F235 HydrophobicContact CZ-CG 4.39Å; F149-F235 HydrophobicContact CZ-CZ 4.27Å; F149-I238 HydrophobicContact CE2-CD1 3.7Å; F149-I238 HydrophobicContact CZ-CD1 3.84Å |
| 150 | S | 92.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 145.1 | 172.3 | -67.6 | 0 | 0 | 0 | 0 | 111.6 | V142 H144 Y152 W229 | V142-S150 PolarHBondContact N-O 3.41Å; V142-S150 PolarHBondContact O-N 3.13Å; H144-S150 WeakPolarHBondContact NE2-CB 3.43Å; H144-S150 PolarHBondContact NE2-N 3.45Å; H144-S150 PolarHBondContact NE2-OG 3.18Å; S150-Y152 WeakPolarHBondContact CB-OH 3.32Å; S150-W229 CarbonylContact C-O 3.54Å; S150-W229 WeakPolarHBondContact CA-O 3.3Å; S150-W229 WeakPolarHBondContact CB-O 2.96Å |
| 151 | V | 94.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 117.8 | 170 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | W121 K140 I141 F149 F153 L167 W229 I238 | W121-V151 HydrophobicContact CH2-CG1 4.42Å; K140-V151 WeakPolarHBondContact O-CA 3.5Å; I141-V151 HydrophobicContact CD1-CG2 4.03Å; I141-V151 HydrophobicContact CG1-CG2 4.15Å; F149-V151 HydrophobicContact CD2-CG2 3.89Å; F149-V151 HydrophobicContact CE2-CG2 3.64Å; V151-F153 HydrophobicContact CG1-CD2 4.39Å; V151-F153 HydrophobicContact CG1-CE1 4.27Å; V151-F153 HydrophobicContact CG1-CE2 3.76Å; V151-F153 HydrophobicContact CG1-CZ 3.69Å; V151-L167 HydrophobicContact CB-CD1 4.09Å; V151-L167 HydrophobicContact CG1-CD2 4.42Å; V151-L167 HydrophobicContact CG2-CD1 3.96Å; V151-W229 HydrophobicContact CB-CB 4.36Å; V151-W229 PolarHBondContact N-O 3.19Å; V151-W229 PolarHBondContact O-N 3.27Å; V151-I238 HydrophobicContact CG2-CD1 4.28Å |
| 152 | Y | 95.9 | Very high | 92.5 | Very high | 96 Ų | 96 | 43.4 Ų | 43.4 | 38% | 0.376 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.9 | 178.8 | -58.3 | -78.5 | 0 | 0 | 0 | 109.2 | G139 K140 V142 S150 V227 S228 | G139-Y152 CarbonylContact C-O 3.38Å; G139-Y152 VanDerWaalsContact CA-O 3.24Å; G139-Y152 WeakPolarHBondContact CA-O 3.44Å; K140-Y152 PolarHBondContact N-O 2.99Å; K140-Y152 PolarHBondContact O-N 3.17Å; V142-Y152 HydrophobicContact CB-CE2 4.09Å; V142-Y152 HydrophobicContact CG2-CD2 4.09Å; V142-Y152 HydrophobicContact CG2-CE2 3.74Å; S150-Y152 WeakPolarHBondContact CB-OH 3.32Å; Y152-V227 CarbonylContact C-O 3.5Å; Y152-V227 WeakPolarHBondContact CA-O 3.21Å; Y152-S228 VanDerWaalsContact CE1-OG 3.28Å; Y152-S228 WeakPolarHBondContact CE1-OG 3.34Å |
| 153 | F | 97.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 42.4 Ų | 42.4 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133.8 | 166.7 | -66.5 | -68.5 | 0 | 0 | 0 | 110 | F124 I137 T138 V151 V165 L167 H226 V227 W229 I240 | F124-F153 HydrophobicContact CD1-CE1 4.36Å; I137-F153 HydrophobicContact CG2-CD1 4.3Å; T138-F153 WeakPolarHBondContact O-CA 3.42Å; V151-F153 HydrophobicContact CG1-CD2 4.39Å; V151-F153 HydrophobicContact CG1-CE1 4.27Å; V151-F153 HydrophobicContact CG1-CE2 3.76Å; V151-F153 HydrophobicContact CG1-CZ 3.69Å; F153-V165 HydrophobicContact CD1-CG1 3.91Å; F153-V165 HydrophobicContact CD2-CG1 4.24Å; F153-V165 HydrophobicContact CE1-CG1 4.12Å; F153-V165 HydrophobicContact CE2-CG1 4.43Å; F153-V165 HydrophobicContact CG-CG1 3.98Å; F153-V165 HydrophobicContact CZ-CG1 4.37Å; F153-L167 HydrophobicContact CE2-CD2 3.66Å; F153-L167 HydrophobicContact CE2-CG 3.99Å; F153-L167 HydrophobicContact CZ-CD2 3.68Å; F153-H226 CarbonylContact O-C 3.58Å; F153-H226 WeakPolarHBondContact O-CA 3.5Å; F153-V227 PolarHBondContact N-O 2.89Å; F153-V227 PolarHBondContact O-N 3.45Å; F153-W229 AromaticContact CD2-CD1 3.84Å; F153-W229 AromaticContact CD2-NE1 4Å; F153-I240 HydrophobicContact CE1-CD1 4.11Å; F153-I240 HydrophobicContact CE1-CG1 4.38Å; F153-I240 HydrophobicContact CE1-CG2 3.97Å; F153-I240 HydrophobicContact CZ-CD1 4.23Å; F153-I240 HydrophobicContact CZ-CG1 4.05Å; F153-I240 HydrophobicContact CZ-CG2 3.92Å |
| 154 | R | 97.3 | Very high | 93 | Very high | 99 Ų | 99 | 41.2 Ų | 41.2 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.7 | 159.4 | -179.8 | -176.5 | -177.7 | -177.4 | 3.8 | 107.3 | T138 S225 H226 | T138-R154 PolarHBondContact N-O 2.82Å; T138-R154 PolarHBondContact O-N 2.73Å; R154-S225 CarbonylContact C-O 3.5Å; R154-S225 VanDerWaalsContact CA-O 3.31Å; R154-S225 WeakPolarHBondContact CA-O 3.2Å; R154-H226 WeakPolarHBondContact CD-CE1 3.42Å; R154-H226 PolarHBondContact NE-CE1 3.1Å |
| 155 | H | 97.1 | Very high | 93.2 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 6% | 0.06 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 139.5 | 169 | 72.2 | -104 | 0 | 0 | 0 | 111.7 | L135 L136 I137 V165 S225 | L135-H155 HydrophobicContact CD1-CB 4.09Å; L136-H155 CarbonylContact O-C 3.6Å; L136-H155 WeakPolarHBondContact O-CA 3.17Å; I137-H155 HydrophobicContact CB-CB 4.42Å; I137-H155 HydrophobicContact CG1-CB 3.89Å; H155-V165 HydrophobicContact CB-CG2 4.5Å; H155-S225 WeakPolarHBondContact CE1-CB 3.39Å; H155-S225 PolarHBondContact CE1-OG 3.1Å; H155-S225 VanDerWaalsContact CE1-OG 3.23Å; H155-S225 PolarHBondContact N-O 2.94Å; H155-S225 VanDerWaalsContact NE2-CB 3.35Å; H155-S225 WeakPolarHBondContact NE2-CB 3.31Å; H155-S225 PolarHBondContact O-N 3.05Å |
| 156 | N | 97 | Very high | 93.6 | Very high | 48 Ų | 48 | 36.2 Ų | 36.2 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 124.6 | 173.4 | -51.2 | -55 | 0 | 0 | 0 | 107.5 | L136 T223 Q224 | L136-N156 PolarHBondContact N-O 2.87Å; L136-N156 PolarHBondContact O-N 2.81Å; N156-T223 CarbonylContact C-O 3.6Å; N156-T223 VanDerWaalsContact CA-O 3.31Å; N156-T223 WeakPolarHBondContact CA-O 3.4Å; N156-Q224 WeakPolarHBondContact OD1-CG 3.11Å; N156-Q224 PolarHBondContact OD1-OE1 3.08Å |
| 157 | S | 96.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 152.3 | 170 | 72.6 | 0 | 0 | 0 | 0 | 111.5 | N134 Q222 T223 | N134-S157 CarbonylContact O-C 3.47Å; N134-S157 WeakPolarHBondContact O-CA 3.28Å; S157-Q222 WeakPolarHBondContact O-CA 3.43Å; S157-T223 PolarHBondContact N-O 2.68Å; S157-T223 PolarHBondContact O-N 2.93Å; S157-T223 WeakPolarHBondContact OG-CB 3.34Å |
| 158 | T | 95.3 | Very high | 94 | Very high | 43 Ų | 43 | 30.5 Ų | 30.5 | 26% | 0.264 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 120.8 | 176.7 | -67.8 | 0 | 0 | 0 | 0 | 109.6 | N134 Q220 E221 Q222 | N134-T158 PolarHBondContact N-O 2.86Å; N134-T158 PolarHBondContact O-N 3.18Å; T158-Q220 HydrophobicContact CG2-CG 4.26Å; T158-E221 CarbonylContact C-O 3.47Å; T158-E221 VanDerWaalsContact CA-O 3.28Å; T158-E221 WeakPolarHBondContact CA-O 3.5Å; T158-Q222 HydrophobicContact CG2-CG 4.17Å; T158-Q222 PolarHBondContact OG1-NE2 3.03Å |
| 159 | G | 92.9 | Very high | 93.9 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 11% | 0.113 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 140 | -139.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113 | K132 E221 | K132-G159 CarbonylContact O-C 3.19Å; K132-G159 WeakPolarHBondContact O-CA 3.36Å; G159-E221 PolarHBondContact N-O 3.36Å; G159-E221 WeakPolarHBondContact O-CB 3.38Å; G159-E221 PolarHBondContact O-N 2.9Å |
| 160 | Q | 90.6 | Very high | 93.7 | Very high | 63 Ų | 63 | 32 Ų | 32 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -126 | 120.2 | 176.9 | -66.1 | 176.4 | 3.6 | 0 | 0 | 110.2 | K132 Y219 S246 T247 | K132-Q160 PolarHBondContact O-N 3.3Å; Q160-Y219 WeakPolarHBondContact CG-O 3.26Å; Q160-Y219 PolarHBondContact NE2-O 3.19Å; Q160-S246 PolarHBondContact O-OG 2.85Å; Q160-T247 HydrophobicContact CB-CG2 4.32Å |
| 161 | G | 91.4 | Very high | 93.3 | Very high | 24 Ų | 24 | 37.7 Ų | 37.7 | 25% | 0.247 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.1 | 170.7 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y245 | G161-Y245 CarbonylContact C-O 3.5Å; G161-Y245 WeakPolarHBondContact CA-O 3.4Å |
| 162 | N | 92.6 | Very high | 93 | Very high | 81 Ų | 81 | 39.8 Ų | 39.8 | 43% | 0.433 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 140.6 | -179.5 | -68.6 | -37.4 | 0 | 0 | 0 | 110.9 | Y245 | N162-Y245 PolarHBondContact N-O 3.42Å; N162-Y245 PolarHBondContact O-N 3.02Å |
| 163 | V | 94.6 | Very high | 92.6 | Very high | 28 Ų | 28 | 40 Ų | 40 | 17% | 0.17 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143.4 | 174.4 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | L133 L135 S243 F244 | L133-V163 HydrophobicContact CD2-CG1 3.87Å; L135-V163 HydrophobicContact CB-CG1 4.38Å; L135-V163 HydrophobicContact CD1-CB 4.13Å; L135-V163 HydrophobicContact CD1-CG1 4.12Å; L135-V163 HydrophobicContact CD1-CG2 4.14Å; L135-V163 HydrophobicContact CD2-CB 3.99Å; L135-V163 HydrophobicContact CD2-CG1 3.8Å; L135-V163 HydrophobicContact CG-CG1 4.32Å; V163-S243 WeakPolarHBondContact CA-O 3.23Å; V163-F244 HydrophobicContact CG1-CD2 4.24Å |
| 164 | S | 93.8 | Very high | 92.2 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 29% | 0.287 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 150.6 | 168.6 | 66 | 0 | 0 | 0 | 0 | 111.1 | I242 S243 | S164-I242 WeakPolarHBondContact O-CA 3.33Å; S164-S243 PolarHBondContact N-O 3.1Å; S164-S243 PolarHBondContact O-N 3.44Å; S164-S243 WeakPolarHBondContact OG-CB 3.32Å |
| 165 | V | 95.3 | Very high | 91.8 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 9% | 0.085 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 124.1 | 177.5 | -174.8 | 0 | 0 | 0 | 0 | 107.8 | I137 F153 H155 I240 Y241 I242 | I137-V165 HydrophobicContact CD1-CG2 3.55Å; I137-V165 HydrophobicContact CG1-CG2 3.89Å; I137-V165 HydrophobicContact CG2-CG1 4.32Å; I137-V165 HydrophobicContact CG2-CG2 4.29Å; F153-V165 HydrophobicContact CD1-CG1 3.91Å; F153-V165 HydrophobicContact CD2-CG1 4.24Å; F153-V165 HydrophobicContact CE1-CG1 4.12Å; F153-V165 HydrophobicContact CE2-CG1 4.43Å; F153-V165 HydrophobicContact CG-CG1 3.98Å; F153-V165 HydrophobicContact CZ-CG1 4.37Å; H155-V165 HydrophobicContact CB-CG2 4.5Å; V165-I240 HydrophobicContact CG1-CG2 4.02Å; V165-Y241 WeakPolarHBondContact CA-O 3.15Å; V165-I242 HydrophobicContact CG1-CG1 4.47Å |
| 166 | S | 93.8 | Very high | 91.4 | Very high | 22 Ų | 22 | 45.8 Ų | 45.8 | 15% | 0.154 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.9 | -178.4 | 60.3 | 0 | 0 | 0 | 0 | 112.1 | Y241 | S166-Y241 PolarHBondContact N-O 3.13Å; S166-Y241 PolarHBondContact O-N 2.04Å |
| 167 | L | 93.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 137.6 | 163.6 | -63.1 | -175.8 | 0 | 0 | 0 | 109.2 | V151 F153 F192 C194 W229 I238 C239 I240 | V151-L167 HydrophobicContact CB-CD1 4.09Å; V151-L167 HydrophobicContact CG1-CD2 4.42Å; V151-L167 HydrophobicContact CG2-CD1 3.96Å; F153-L167 HydrophobicContact CE2-CD2 3.66Å; F153-L167 HydrophobicContact CE2-CG 3.99Å; F153-L167 HydrophobicContact CZ-CD2 3.68Å; L167-F192 HydrophobicContact CB-CE1 4Å; L167-F192 HydrophobicContact CB-CZ 3.84Å; L167-F192 VanDerWaalsContact O-CE1 3.24Å; L167-F192 WeakPolarHBondContact O-CE1 3.4Å; L167-C194 HydrophobicContact CD1-CB 4.33Å; L167-W229 HydrophobicContact CB-CD2 4.08Å; L167-W229 HydrophobicContact CB-CE3 4Å; L167-W229 HydrophobicContact CB-CZ3 4.22Å; L167-W229 HydrophobicContact CD1-CB 3.66Å; L167-W229 HydrophobicContact CD1-CD2 3.99Å; L167-W229 HydrophobicContact CD1-CE3 4.19Å; L167-W229 HydrophobicContact CD1-CG 3.77Å; L167-W229 HydrophobicContact CG-CB 4.36Å; L167-W229 HydrophobicContact CG-CD2 3.9Å; L167-W229 HydrophobicContact CG-CE3 4.25Å; L167-W229 HydrophobicContact CG-CG 3.94Å; L167-I238 HydrophobicContact CD1-CD1 4.33Å; L167-I238 HydrophobicContact CD2-CD1 4.37Å; L167-C239 WeakPolarHBondContact CA-O 3.19Å; L167-I240 HydrophobicContact CD2-CG1 4.41Å |
| 168 | V | 90.8 | Very high | 89.1 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 9% | 0.085 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 154.8 | 178.4 | -59.3 | 0 | 0 | 0 | 0 | 111.1 | K172 F192 C239 Y241 K254 | V168-K172 HydrophobicContact CB-CB 3.86Å; V168-K172 HydrophobicContact CB-CG 4.13Å; V168-K172 HydrophobicContact CG1-CB 4.47Å; V168-K172 HydrophobicContact CG1-CG 4.19Å; V168-K172 HydrophobicContact CG2-CB 3.96Å; V168-K172 HydrophobicContact CG2-CG 4.28Å; V168-F192 VanDerWaalsContact C-CZ 3.48Å; V168-C239 HydrophobicContact CG2-CB 3.96Å; V168-C239 PolarHBondContact N-O 2.79Å; V168-C239 PolarHBondContact O-N 3.49Å; V168-Y241 HydrophobicContact CG1-CG 4.25Å; V168-Y241 HydrophobicContact CG2-CD2 4.24Å; V168-Y241 HydrophobicContact CG2-CG 4.47Å; V168-K254 HydrophobicContact CG2-CD 4.38Å; V168-K254 HydrophobicContact CG2-CG 4.4Å |
| 169 | P | 89.3 | Confident | 87.4 | Confident | 24 Ų | 24 | 54 Ų | 54 | 16% | 0.156 | 31% | 0.308 | C | S | . | . | trans | -66.9 | 156.8 | 168.4 | 29.6 | -35.8 | 0 | 0 | 0 | 110.9 | T171 K172 F192 | P169-T171 PolarHBondContact O-N 2.03Å; P169-T171 VanDerWaalsContact O-N 3.09Å; P169-K172 WeakPolarHBondContact O-CB 3.49Å; P169-K172 PolarHBondContact O-N 3.27Å; P169-F192 HydrophobicContact CB-CD2 4.02Å; P169-F192 HydrophobicContact CB-CE2 4.25Å; P169-F192 HydrophobicContact CG-CD2 4.33Å | ||
| 170 | P | 86.3 | Confident | 85.5 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 24% | 0.24 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.3 | -179.3 | -22 | 33.2 | 0 | 0 | 0 | 114 | K172 V237 C239 K254 Y259 | P170-K172 VanDerWaalsContact C-N 3.31Å; P170-K172 PolarHBondContact O-N 3.37Å; P170-V237 VanDerWaalsContact CD-O 3.23Å; P170-V237 WeakPolarHBondContact CD-O 3.23Å; P170-V237 HydrophobicContact CG-CB 3.74Å; P170-V237 HydrophobicContact CG-CG1 4.07Å; P170-V237 WeakPolarHBondContact CG-O 3.31Å; P170-C239 VanDerWaalsContact CA-SG 3.59Å; P170-K254 PolarHBondContact O-NZ 3.22Å; P170-Y259 HydrophobicContact CB-CD2 4.21Å; P170-Y259 HydrophobicContact CB-CE2 3.98Å |
| 171 | T | 84.8 | Confident | 83.7 | Confident | 121 Ų | 121 | 60 Ų | 60 | 74% | 0.742 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -15.7 | 176.9 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | P169 I173 | P169-T171 PolarHBondContact O-N 2.03Å; P169-T171 VanDerWaalsContact O-N 3.09Å; T171-I173 PolarHBondContact O-N 2.79Å |
| 172 | K | 87.3 | Confident | 81.6 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 19% | 0.191 | 35% | 0.353 | C | S | . | . | trans | -62.3 | 124.8 | 176.7 | 177.3 | 55.6 | 177.4 | 170.1 | 0 | 109.7 | V168 P169 P170 E175 Y241 K254 | V168-K172 HydrophobicContact CB-CB 3.86Å; V168-K172 HydrophobicContact CB-CG 4.13Å; V168-K172 HydrophobicContact CG1-CB 4.47Å; V168-K172 HydrophobicContact CG1-CG 4.19Å; V168-K172 HydrophobicContact CG2-CB 3.96Å; V168-K172 HydrophobicContact CG2-CG 4.28Å; P169-K172 WeakPolarHBondContact O-CB 3.49Å; P169-K172 PolarHBondContact O-N 3.27Å; P170-K172 VanDerWaalsContact C-N 3.31Å; P170-K172 PolarHBondContact O-N 3.37Å; K172-E175 IonicContact NZ-OE1 2.72Å; K172-E175 PolarHBondContact NZ-OE1 2.88Å; K172-Y241 HydrophobicContact CG-CD2 4.28Å; K172-Y241 HydrophobicContact CG-CE2 4.28Å; K172-K254 WeakPolarHBondContact O-CD 3.5Å; K172-K254 WeakPolarHBondContact O-CE 3.46Å; K172-K254 PolarHBondContact O-NZ 3.19Å | ||
| 173 | I | 87.1 | Confident | 79.2 | Confident | 101 Ų | 101 | 65.7 Ų | 65.7 | 52% | 0.518 | 37% | 0.365 | S | S | . | . | trans | -70.2 | 148.6 | 178.4 | -58.3 | 172.7 | 0 | 0 | 0 | 109.2 | T171 E175 | T171-I173 PolarHBondContact O-N 2.79Å; I173-E175 HydrophobicContact CG2-CB 4.5Å | ||
| 174 | V | 90.4 | Very high | 77.3 | Confident | 33 Ų | 33 | 67.7 Ų | 67.7 | 20% | 0.2 | 37% | 0.374 | C | S | . | . | trans | -90.6 | 110.9 | 172.6 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | Y241 V252 K254 | V174-Y241 HydrophobicContact CG2-CE2 4.41Å; V174-V252 HydrophobicContact CG1-CB 4.12Å; V174-V252 HydrophobicContact CG1-CG2 3.58Å; V174-K254 HydrophobicContact CG2-CB 3.55Å; V174-K254 HydrophobicContact CG2-CD 4.41Å | ||
| 175 | E | 89 | Confident | 75.1 | Confident | 81 Ų | 81 | 70.6 Ų | 70.6 | 38% | 0.379 | 39% | 0.387 | S | S | . | . | trans | -150.2 | 150.9 | -172.5 | 70.3 | -160.1 | 147.3 | 0 | 0 | 111.8 | K172 I173 D177 Y241 | K172-E175 IonicContact NZ-OE1 2.72Å; K172-E175 PolarHBondContact NZ-OE1 2.88Å; I173-E175 HydrophobicContact CG2-CB 4.5Å; E175-D177 PolarHBondContact O-N 2.85Å; E175-D177 VanDerWaalsContact O-N 3.1Å; E175-Y241 PolarHBondContact N-OH 2.9Å; E175-Y241 VanDerWaalsContact N-OH 3.1Å; E175-Y241 PolarHBondContact O-OH 2.84Å; E175-Y241 VanDerWaalsContact O-OH 3.05Å | ||
| 176 | F | 88.3 | Confident | 72.9 | Confident | 123 Ų | 123 | 73.6 Ų | 73.6 | 54% | 0.539 | 41% | 0.413 | S | S | . | . | trans | -82 | 79.9 | 174.7 | -67.9 | -66.7 | 0 | 0 | 0 | 111.4 | Y245 K250 V252 | F176-Y245 VanDerWaalsContact C-OH 3.22Å; F176-Y245 VanDerWaalsContact CA-OH 3.26Å; F176-Y245 WeakPolarHBondContact CA-OH 3.41Å; F176-Y245 HydrophobicContact CD1-CE1 4Å; F176-K250 HydrophobicContact CD1-CB 4.15Å; F176-K250 HydrophobicContact CE1-CB 3.77Å; F176-V252 HydrophobicContact CD1-CG1 4.01Å; F176-V252 HydrophobicContact CD1-CG2 3.95Å; F176-V252 HydrophobicContact CE1-CG1 4.27Å; F176-V252 HydrophobicContact CE1-CG2 3.82Å; F176-V252 HydrophobicContact CG-CG2 4.41Å; F176-V252 HydrophobicContact CZ-CG2 4.17Å | ||
| 177 | D | 78.7 | Confident | 70.7 | Confident | 56 Ų | 56 | 80.8 Ų | 80.8 | 30% | 0.299 | 44% | 0.441 | S | S | . | . | trans | -79.4 | 126.6 | 172.3 | -168.5 | 0.4 | 0 | 0 | 0 | 111.7 | E175 A179 Q181 Y245 | E175-D177 PolarHBondContact O-N 2.85Å; E175-D177 VanDerWaalsContact O-N 3.1Å; D177-A179 VanDerWaalsContact OD1-CB 3.31Å; D177-A179 WeakPolarHBondContact OD1-CB 3.04Å; D177-A179 PolarHBondContact OD1-N 3.14Å; D177-Q181 PolarHBondContact OD2-NE2 2.87Å; D177-Y245 PolarHBondContact N-OH 3Å; D177-Y245 VanDerWaalsContact N-OH 3.08Å; D177-Y245 WeakPolarHBondContact O-CE2 3.06Å; D177-Y245 VanDerWaalsContact O-CZ 3.28Å; D177-Y245 PolarHBondContact O-OH 2.94Å | ||
| 178 | L | 65.3 | Low | 68.9 | Low | 150 Ų | 150 | 84.4 Ų | 84.4 | 79% | 0.785 | 46% | 0.461 | S | S | * | . | trans | -81.5 | -18.2 | 173.1 | -81.8 | 83.4 | 0 | 0 | 0 | 112.4 | Q180 | L178-Q180 PolarHBondContact O-N 2.87Š| ||
| 179 | A | 59.6 | Low | 67.3 | Low | 63 Ų | 63 | 86.6 Ų | 86.6 | 52% | 0.521 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -69 | 131 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | D177 Q181 | D177-A179 VanDerWaalsContact OD1-CB 3.31Å; D177-A179 WeakPolarHBondContact OD1-CB 3.04Å; D177-A179 PolarHBondContact OD1-N 3.14Å; A179-Q181 PolarHBondContact O-N 2.98Å |
| 180 | Q | 53.9 | Low | 66.1 | Low | 138 Ų | 138 | 95 Ų | 95 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | trans | -65.8 | 105.6 | 169.7 | -72.8 | 179.5 | -16.5 | 0 | 0 | 108.4 | L178 T182 | L178-Q180 PolarHBondContact O-N 2.87Å; Q180-T182 HydrophobicContact CB-CG2 4.42Å; Q180-T182 PolarHBondContact O-N 2.88Å; Q180-T182 PolarHBondContact O-OG1 2.85Å | ||
| 181 | Q | 52.5 | Low | 65.4 | Low | 61 Ų | 61 | 97.2 Ų | 97.2 | 29% | 0.285 | 53% | 0.527 | S | S | . | . | trans | -72.5 | 53.2 | 176.2 | -69.9 | 169.8 | -5.8 | 0 | 0 | 111.6 | D177 A179 V183 | D177-Q181 PolarHBondContact OD2-NE2 2.87Å; A179-Q181 PolarHBondContact O-N 2.98Å; Q181-V183 VanDerWaalsContact C-N 3.28Å | ||
| 182 | T | 47.4 | Very low | 65.4 | Low | 112 Ų | 112 | 92.7 Ų | 92.7 | 69% | 0.687 | 50% | 0.497 | S | S | * | . | trans | -81.4 | -10.1 | 169.3 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | Q180 | Q180-T182 HydrophobicContact CB-CG2 4.42Å; Q180-T182 PolarHBondContact O-N 2.88Å; Q180-T182 PolarHBondContact O-OG1 2.85Å | ||
| 183 | V | 42.6 | Very low | 65.5 | Low | 112 Ų | 112 | 94.4 Ų | 94.4 | 68% | 0.679 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -120.5 | 114.4 | 173.5 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | Q181 D185 | Q181-V183 VanDerWaalsContact C-N 3.28Å; V183-D185 PolarHBondContact O-N 3.01Å; V183-D185 VanDerWaalsContact O-N 3.15Å |
| 184 | I | 53.7 | Low | 65.7 | Low | 71 Ų | 71 | 89.9 Ų | 89.9 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | trans | -57.3 | 118.1 | 164 | -60.3 | 168.6 | 0 | 0 | 0 | 105.9 | A186 W229 | I184-A186 PolarHBondContact O-N 2.91Å; I184-W229 HydrophobicContact CD1-CH2 4Å; I184-W229 HydrophobicContact CD1-CZ3 3.94Å | ||
| 185 | D | 47.8 | Very low | 65.8 | Low | 102 Ų | 102 | 95.6 Ų | 95.6 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | trans | -49.5 | 128.3 | -179.4 | -173.2 | -7.4 | 0 | 0 | 0 | 109.1 | V183 K187 D188 S189 | V183-D185 PolarHBondContact O-N 3.01Å; V183-D185 VanDerWaalsContact O-N 3.15Å; D185-K187 PolarHBondContact O-N 2.88Å; D185-K187 PolarHBondContact OD1-N 3.19Å; D185-D188 PolarHBondContact O-N 2.9Å; D185-S189 PolarHBondContact O-N 3.29Å | ||
| 186 | A | 48.7 | Very low | 66.1 | Low | 77 Ų | 77 | 95 Ų | 95 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -12.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I184 S189 | I184-A186 PolarHBondContact O-N 2.91Å; A186-S189 PolarHBondContact O-OG 2.87Å |
| 187 | K | 48.5 | Very low | 66.4 | Low | 173 Ų | 173 | 94.4 Ų | 94.4 | 75% | 0.752 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -39.2 | 171.6 | -161.9 | 175.4 | -178 | -176.8 | 0 | 113.5 | D185 | D185-K187 PolarHBondContact O-N 2.88Å; D185-K187 PolarHBondContact OD1-N 3.19Å |
| 188 | D | 54.5 | Low | 67.2 | Low | 79 Ų | 79 | 97.9 Ų | 97.9 | 42% | 0.422 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -25.7 | -177.5 | -78.1 | -8 | 0 | 0 | 0 | 112.7 | D185 K190 S191 F192 | D185-D188 PolarHBondContact O-N 2.9Å; D188-K190 PolarHBondContact O-N 3.18Å; D188-K190 VanDerWaalsContact O-N 3.13Å; D188-S191 PolarHBondContact O-N 3.23Å; D188-S191 PolarHBondContact O-OG 2.87Å; D188-F192 PolarHBondContact O-N 2.86Å |
| 189 | S | 58.1 | Low | 68.6 | Low | 60 Ų | 60 | 95.9 Ų | 95.9 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -24.5 | -176.6 | 68.4 | 0 | 0 | 0 | 0 | 114.8 | D185 A186 S191 | D185-S189 PolarHBondContact O-N 3.29Å; A186-S189 PolarHBondContact O-OG 2.87Å; S189-S191 VanDerWaalsContact C-N 3.26Å; S189-S191 PolarHBondContact O-N 2.87Å |
| 190 | K | 64.1 | Low | 70.4 | Confident | 200 Ų | 200 | 97 Ų | 97 | 87% | 0.87 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.3 | 172.9 | -76.4 | -175.1 | 176.6 | 178.3 | 0 | 114.1 | D188 | D188-K190 PolarHBondContact O-N 3.18Å; D188-K190 VanDerWaalsContact O-N 3.13Å |
| 191 | S | 71.6 | Confident | 72.4 | Confident | 85 Ų | 85 | 93.3 Ų | 93.3 | 59% | 0.594 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.9 | -17.6 | -176.2 | 74.8 | 0 | 0 | 0 | 0 | 113.8 | D188 S189 | D188-S191 PolarHBondContact O-N 3.23Å; D188-S191 PolarHBondContact O-OG 2.87Å; S189-S191 VanDerWaalsContact C-N 3.26Å; S189-S191 PolarHBondContact O-N 2.87Å |
| 192 | F | 85.4 | Confident | 74.5 | Confident | 26 Ų | 26 | 93.4 Ų | 93.4 | 11% | 0.114 | 48% | 0.48 | C | S | . | . | trans | -108.3 | 109.9 | -171.8 | -166.5 | -127.7 | 0 | 0 | 0 | 111.6 | L167 V168 P169 D188 C194 W229 I238 | L167-F192 HydrophobicContact CB-CE1 4Å; L167-F192 HydrophobicContact CB-CZ 3.84Å; L167-F192 VanDerWaalsContact O-CE1 3.24Å; L167-F192 WeakPolarHBondContact O-CE1 3.4Å; V168-F192 VanDerWaalsContact C-CZ 3.48Å; P169-F192 HydrophobicContact CB-CD2 4.02Å; P169-F192 HydrophobicContact CB-CE2 4.25Å; P169-F192 HydrophobicContact CG-CD2 4.33Å; D188-F192 PolarHBondContact O-N 2.86Å; F192-C194 HydrophobicContact CD1-CB 3.93Å; F192-C194 HydrophobicContact CE1-CB 3.51Å; F192-C194 HydrophobicContact CE2-CB 4.41Å; F192-C194 HydrophobicContact CZ-CB 3.77Å; F192-C194 PolarHBondContact O-N 2.86Å; F192-W229 HydrophobicContact CE1-CZ3 4.36Å; F192-I238 HydrophobicContact CE2-CG2 4.26Å | ||
| 193 | N | 89.3 | Confident | 76.7 | Confident | 79 Ų | 79 | 94.7 Ų | 94.7 | 42% | 0.422 | 48% | 0.477 | S | S | . | . | trans | -75.2 | 17.3 | -174.1 | -67.8 | -27.3 | 0 | 0 | 0 | 114.8 | C231 S232 P234 | N193-C231 VanDerWaalsContact O-CA 3.32Å; N193-C231 WeakPolarHBondContact O-CA 3.49Å; N193-S232 WeakPolarHBondContact CB-O 3.18Å; N193-S232 PolarHBondContact O-N 3.4Å; N193-P234 PolarHBondContact ND2-O 3.15Å | ||
| 194 | C | 91.2 | Very high | 79.2 | Confident | 7 Ų | 7 | 92.1 Ų | 92.1 | 5% | 0.047 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.4 | -179.6 | -70.5 | 0 | 0 | 0 | 0 | 110.1 | L167 F192 W229 L230 C231 | L167-C194 HydrophobicContact CD1-CB 4.33Å; F192-C194 HydrophobicContact CD1-CB 3.93Å; F192-C194 HydrophobicContact CE1-CB 3.51Å; F192-C194 HydrophobicContact CE2-CB 4.41Å; F192-C194 HydrophobicContact CZ-CB 3.77Å; F192-C194 PolarHBondContact O-N 2.86Å; C194-W229 HydrophobicContact CB-CE3 4.15Å; C194-L230 WeakPolarHBondContact CA-O 3.5Å; C194-C231 HydrophobicContact CB-CB 4.13Å; C194-C231 WeakPolarHBondContact CB-SG 3.37Å; C194-C231 WeakPolarHBondContact SG-CB 3.46Å; C194-C231 CovalentContact SG-SG 2.04Å; C194-C231 PolarHBondContact SG-SG 2.95Å |
| 195 | R | 92.1 | Very high | 81 | Confident | 152 Ų | 152 | 92.3 Ų | 92.3 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 153.9 | 177.9 | 61.6 | 179.3 | -179.5 | -114.4 | 2.1 | 111.1 | E197 W229 L230 | R195-E197 PolarHBondContact O-N 2.83Å; R195-W229 CarbonylContact O-C 3.53Å; R195-W229 WeakPolarHBondContact O-CA 3.49Å; R195-L230 PolarHBondContact N-O 2.86Å; R195-L230 PolarHBondContact O-N 2.8Å |
| 196 | I | 94.1 | Very high | 83 | Confident | 70 Ų | 70 | 93.6 Ų | 93.6 | 36% | 0.359 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 127 | 167.8 | -60 | 173.1 | 0 | 0 | 0 | 107.8 | E199 V227 W229 | I196-E199 HydrophobicContact CG2-CB 4.1Å; I196-V227 HydrophobicContact CG1-CG1 4.29Å; I196-V227 HydrophobicContact CG2-CG1 4.07Å; I196-W229 HydrophobicContact CD1-CH2 4.18Å; I196-W229 HydrophobicContact CD1-CZ2 3.86Å; I196-W229 HydrophobicContact CG1-CD2 3.96Å; I196-W229 HydrophobicContact CG1-CE3 4.14Å; I196-W229 HydrophobicContact CG1-CH2 3.79Å; I196-W229 HydrophobicContact CG1-CZ2 3.56Å; I196-W229 HydrophobicContact CG1-CZ3 4.07Å |
| 197 | E | 95.1 | Very high | 84.8 | Confident | 110 Ų | 110 | 94.5 Ų | 94.5 | 51% | 0.514 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -37.9 | 175 | 173.1 | -177 | -128.7 | 0 | 0 | 110.7 | R195 S228 L230 | R195-E197 PolarHBondContact O-N 2.83Å; E197-S228 PolarHBondContact N-O 2.89Å; E197-S228 PolarHBondContact OE2-OG 2.85Å; E197-L230 HydrophobicContact CB-CB 4.1Å |
| 198 | Y | 95.2 | Very high | 86.3 | Confident | 128 Ų | 128 | 88.4 Ų | 88.4 | 50% | 0.502 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 137.9 | 179.4 | 177.2 | -98.9 | 0 | 0 | 0 | 110 | K200 V227 S228 | Y198-K200 HydrophobicContact CE1-CB 3.8Å; Y198-V227 CarbonylContact O-C 3.57Å; Y198-V227 WeakPolarHBondContact O-CA 3.31Å; Y198-S228 PolarHBondContact N-O 2.89Å; Y198-S228 PolarHBondContact O-N 2.84Å |
| 199 | E | 95.6 | Very high | 87.8 | Confident | 109 Ų | 109 | 90 Ų | 90 | 51% | 0.509 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 133.2 | 170.4 | 175 | 166.6 | -158.7 | 0 | 0 | 109.1 | I196 V201 H226 V227 | I196-E199 HydrophobicContact CG2-CB 4.1Å; E199-V201 HydrophobicContact CG-CG2 3.94Å; E199-H226 WeakPolarHBondContact CA-O 3.24Å; E199-V227 HydrophobicContact CG-CG2 4.25Å |
| 200 | K | 96.7 | Very high | 89 | Confident | 87 Ų | 87 | 87.3 Ų | 87.3 | 38% | 0.378 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 129.3 | 168.3 | -172.8 | -179 | -168.6 | -111.8 | 0 | 108.8 | Y198 D202 S225 H226 | Y198-K200 HydrophobicContact CE1-CB 3.8Å; K200-D202 VanDerWaalsContact CE-OD1 3.28Å; K200-D202 WeakPolarHBondContact CE-OD1 3.47Å; K200-D202 IonicContact NZ-OD1 2.72Å; K200-D202 PolarHBondContact NZ-OD1 2.04Å; K200-D202 IonicContact NZ-OD2 2.72Å; K200-D202 PolarHBondContact NZ-OD2 2.72Å; K200-S225 CarbonylContact O-C 3.55Å; K200-S225 VanDerWaalsContact O-CA 3.3Å; K200-S225 WeakPolarHBondContact O-CA 3.18Å; K200-H226 PolarHBondContact N-O 3.09Å; K200-H226 PolarHBondContact O-N 3.38Å |
| 201 | V | 96.3 | Very high | 89.7 | Confident | 59 Ų | 59 | 85.9 Ų | 85.9 | 36% | 0.358 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 107.4 | 176.9 | -171.6 | 0 | 0 | 0 | 0 | 108.7 | E199 K203 T223 | E199-V201 HydrophobicContact CG-CG2 3.94Å; V201-K203 HydrophobicContact CG1-CG 3.98Å; V201-T223 HydrophobicContact CG1-CG2 3.59Å |
| 202 | D | 96.3 | Very high | 90.1 | Very high | 64 Ų | 64 | 89.6 Ų | 89.6 | 34% | 0.342 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119 | 172.8 | -59.5 | -47.2 | 0 | 0 | 0 | 108.2 | K200 T223 Q224 | K200-D202 VanDerWaalsContact CE-OD1 3.28Å; K200-D202 WeakPolarHBondContact CE-OD1 3.47Å; K200-D202 IonicContact NZ-OD1 2.72Å; K200-D202 PolarHBondContact NZ-OD1 2.04Å; K200-D202 IonicContact NZ-OD2 2.72Å; K200-D202 PolarHBondContact NZ-OD2 2.72Å; D202-T223 CarbonylContact O-C 3.57Å; D202-T223 WeakPolarHBondContact O-CA 3.35Å; D202-Q224 PolarHBondContact N-O 2.89Å; D202-Q224 PolarHBondContact O-N 3.31Å |
| 203 | K | 94.7 | Very high | 90.1 | Very high | 139 Ų | 139 | 90 Ų | 90 | 60% | 0.604 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.5 | 176.3 | -62.7 | -164.7 | 175.5 | -172.2 | 0 | 110.7 | V201 T223 | V201-K203 HydrophobicContact CG1-CG 3.98Å; K203-T223 HydrophobicContact CG-CG2 4.02Å |
| 204 | A | 93.5 | Very high | 89.9 | Confident | 58 Ų | 58 | 90.8 Ų | 90.8 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 121.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q222 | A204-Q222 PolarHBondContact N-O 2.98Å; A204-Q222 PolarHBondContact O-N 3.02Å |
| 205 | T | 92.8 | Very high | 89.7 | Confident | 75 Ų | 75 | 95.4 Ų | 95.4 | 46% | 0.46 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.3 | 175.8 | -54.3 | 0 | 0 | 0 | 0 | 109.1 | Y219 E221 | T205-Y219 HydrophobicContact CG2-CD1 4.37Å; T205-E221 HydrophobicContact CG2-CG 4.2Å |
| 206 | K | 88.6 | Confident | 89.3 | Confident | 128 Ų | 128 | 93.5 Ų | 93.5 | 56% | 0.557 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123.8 | 174.3 | -168.3 | -177.3 | -179.3 | -179.4 | 0 | 109.5 | T208 Q220 | K206-T208 HydrophobicContact CD-CG2 4Å; K206-T208 HydrophobicContact CG-CG2 4.05Å; K206-Q220 PolarHBondContact N-O 3.49Å; K206-Q220 PolarHBondContact O-N 2.84Å |
| 207 | N | 86.8 | Confident | 88.8 | Confident | 96 Ų | 96 | 93.6 Ų | 93.6 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 126.9 | 171.5 | -61.3 | 2.8 | 0 | 0 | 0 | 108 | T217 Y219 | N207-T217 HydrophobicContact CB-CG2 3.89Å; N207-Y219 WeakPolarHBondContact OD1-CD1 3.13Å; N207-Y219 WeakPolarHBondContact OD1-CE1 3.32Å |
| 208 | T | 80.9 | Confident | 88.3 | Confident | 46 Ų | 46 | 89.6 Ų | 89.6 | 28% | 0.282 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 158.5 | 176.3 | 54.3 | 0 | 0 | 0 | 0 | 109.7 | K206 C218 | K206-T208 HydrophobicContact CD-CG2 4Å; K206-T208 HydrophobicContact CG-CG2 4.05Å; T208-C218 PolarHBondContact N-O 2.72Å; T208-C218 PolarHBondContact O-N 3.4Å; T208-C218 VanDerWaalsContact O-O 3.1Å |
| 209 | L | 84.8 | Confident | 87.8 | Confident | 111 Ų | 111 | 89.5 Ų | 89.5 | 58% | 0.581 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 141.6 | 170.5 | -59.9 | 179.5 | 0 | 0 | 0 | 109.4 | N211 | L209-N211 PolarHBondContact O-N 3.1Å |
| 210 | C | 83.7 | Confident | 87.4 | Confident | 4 Ų | 4 | 87.7 Ų | 87.7 | 3% | 0.027 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 128.6 | -179.9 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | Y212 D213 K216 C218 | C210-Y212 HydrophobicContact CB-CD1 4.16Å; C210-Y212 HydrophobicContact CB-CD2 4.49Å; C210-Y212 HydrophobicContact CB-CE1 3.78Å; C210-Y212 HydrophobicContact CB-CE2 4.14Å; C210-Y212 HydrophobicContact CB-CG 4.5Å; C210-Y212 PolarHBondContact O-N 3.35Å; C210-D213 WeakPolarHBondContact CB-O 3.43Å; C210-D213 CarbonylContact O-C 3.59Å; C210-D213 PolarHBondContact O-N 3.27Å; C210-K216 HydrophobicContact CB-CB 4.41Å; C210-K216 PolarHBondContact N-O 3.2Å; C210-K216 PolarHBondContact SG-O 2.59Å; C210-K216 VanDerWaalsContact SG-O 3.4Å; C210-C218 VanDerWaalsContact CA-SG 3.53Å; C210-C218 HydrophobicContact CB-CB 4.08Å; C210-C218 WeakPolarHBondContact CB-SG 2.98Å; C210-C218 VanDerWaalsContact SG-CA 3.53Å; C210-C218 WeakPolarHBondContact SG-CB 3.39Å; C210-C218 PolarHBondContact SG-N 3.26Å; C210-C218 CovalentContact SG-SG 2.04Å; C210-C218 PolarHBondContact SG-SG 2.74Å |
| 211 | N | 78.5 | Confident | 87.2 | Confident | 170 Ų | 170 | 86.8 Ų | 86.8 | 91% | 0.909 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26 | -179.9 | -68.4 | -1.3 | 0 | 0 | 0 | 114.5 | L209 | L209-N211 PolarHBondContact O-N 3.1Š|
| 212 | Y | 81 | Confident | 87.1 | Confident | 163 Ų | 163 | 88.7 Ų | 88.7 | 64% | 0.639 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -13.8 | 179.9 | 58.6 | -95.5 | 0 | 0 | 0 | 113.5 | C210 | C210-Y212 HydrophobicContact CB-CD1 4.16Å; C210-Y212 HydrophobicContact CB-CD2 4.49Å; C210-Y212 HydrophobicContact CB-CE1 3.78Å; C210-Y212 HydrophobicContact CB-CE2 4.14Å; C210-Y212 HydrophobicContact CB-CG 4.5Å; C210-Y212 PolarHBondContact O-N 3.35Å |
| 213 | D | 85.6 | Confident | 87.1 | Confident | 34 Ų | 34 | 86.3 Ų | 86.3 | 18% | 0.182 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 95.1 | -177 | -176.3 | -9.3 | 0 | 0 | 0 | 110 | C210 S215 K216 | C210-D213 WeakPolarHBondContact CB-O 3.43Å; C210-D213 CarbonylContact O-C 3.59Å; C210-D213 PolarHBondContact O-N 3.27Å; D213-S215 PolarHBondContact O-N 2.77Å; D213-S215 WeakPolarHBondContact OD1-CB 3.35Å; D213-S215 PolarHBondContact OD1-N 3.09Å; D213-S215 PolarHBondContact OD1-OG 3.49Å; D213-S215 PolarHBondContact OD2-OG 3.25Å; D213-K216 HydrophobicContact CB-CB 4.5Å; D213-K216 HydrophobicContact CB-CD 4.5Å; D213-K216 HydrophobicContact CB-CG 4.47Å; D213-K216 PolarHBondContact O-N 3.03Å; D213-K216 WeakPolarHBondContact OD2-CD 3.36Å; D213-K216 WeakPolarHBondContact OD2-CE 3.34Å; D213-K216 WeakPolarHBondContact OD2-CG 3.19Å; D213-K216 IonicContact OD2-NZ 2.6Å; D213-K216 PolarHBondContact OD2-NZ 3.03Å |
| 214 | P | 84.2 | Confident | 87.2 | Confident | 97 Ų | 97 | 82.7 Ų | 82.7 | 63% | 0.63 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | -11.4 | -179.4 | -23.9 | 35 | 0 | 0 | 0 | 114.9 | K216 | P214-K216 VanDerWaalsContact C-N 3.28Å |
| 215 | S | 86.3 | Confident | 87.4 | Confident | 103 Ų | 103 | 80 Ų | 80 | 72% | 0.72 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | -12.2 | 173.7 | 75.9 | 0 | 0 | 0 | 0 | 113.2 | D213 | D213-S215 PolarHBondContact O-N 2.77Å; D213-S215 WeakPolarHBondContact OD1-CB 3.35Å; D213-S215 PolarHBondContact OD1-N 3.09Å; D213-S215 PolarHBondContact OD1-OG 3.49Å; D213-S215 PolarHBondContact OD2-OG 3.25Å |
| 216 | K | 84.1 | Confident | 87.6 | Confident | 112 Ų | 112 | 79.8 Ų | 79.8 | 49% | 0.487 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138.9 | -177.6 | -67.1 | -173.6 | 177.2 | 96.4 | 0 | 112.1 | C210 D213 P214 | C210-K216 HydrophobicContact CB-CB 4.41Å; C210-K216 PolarHBondContact N-O 3.2Å; C210-K216 PolarHBondContact SG-O 2.59Å; C210-K216 VanDerWaalsContact SG-O 3.4Å; D213-K216 HydrophobicContact CB-CB 4.5Å; D213-K216 HydrophobicContact CB-CD 4.5Å; D213-K216 HydrophobicContact CB-CG 4.47Å; D213-K216 PolarHBondContact O-N 3.03Å; D213-K216 WeakPolarHBondContact OD2-CD 3.36Å; D213-K216 WeakPolarHBondContact OD2-CE 3.34Å; D213-K216 WeakPolarHBondContact OD2-CG 3.19Å; D213-K216 IonicContact OD2-NZ 2.6Å; D213-K216 PolarHBondContact OD2-NZ 3.03Å; P214-K216 VanDerWaalsContact C-N 3.28Å |
| 217 | T | 85 | Confident | 88 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 122.2 | 171.7 | -50.6 | 0 | 0 | 0 | 0 | 110.1 | N207 | N207-T217 HydrophobicContact CB-CG2 3.89Å |
| 218 | C | 83.9 | Confident | 88.4 | Confident | 25 Ų | 25 | 69.9 Ų | 69.9 | 17% | 0.169 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134 | 171.3 | -88.3 | 0 | 0 | 0 | 0 | 110.1 | T208 C210 | T208-C218 PolarHBondContact N-O 2.72Å; T208-C218 PolarHBondContact O-N 3.4Å; T208-C218 VanDerWaalsContact O-O 3.1Å; C210-C218 VanDerWaalsContact CA-SG 3.53Å; C210-C218 HydrophobicContact CB-CB 4.08Å; C210-C218 WeakPolarHBondContact CB-SG 2.98Å; C210-C218 VanDerWaalsContact SG-CA 3.53Å; C210-C218 WeakPolarHBondContact SG-CB 3.39Å; C210-C218 PolarHBondContact SG-N 3.26Å; C210-C218 CovalentContact SG-SG 2.04Å; C210-C218 PolarHBondContact SG-SG 2.74Å |
| 219 | Y | 84.4 | Confident | 89.1 | Confident | 126 Ų | 126 | 67.9 Ų | 67.9 | 49% | 0.494 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 130.6 | 175.6 | -57.4 | -84 | 0 | 0 | 0 | 109.8 | Q160 T205 N207 | Q160-Y219 WeakPolarHBondContact CG-O 3.26Å; Q160-Y219 PolarHBondContact NE2-O 3.19Å; T205-Y219 HydrophobicContact CG2-CD1 4.37Å; N207-Y219 WeakPolarHBondContact OD1-CD1 3.13Å; N207-Y219 WeakPolarHBondContact OD1-CE1 3.32Å |
| 220 | Q | 87.1 | Confident | 89.6 | Confident | 71 Ų | 71 | 63.7 Ų | 63.7 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 109.6 | 171.4 | -176.2 | 178 | 6.8 | 0 | 0 | 108.4 | T158 K206 | T158-Q220 HydrophobicContact CG2-CG 4.26Å; K206-Q220 PolarHBondContact N-O 3.49Å; K206-Q220 PolarHBondContact O-N 2.84Å |
| 221 | E | 92.8 | Very high | 90 | Very high | 68 Ų | 68 | 63.5 Ų | 63.5 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 136 | 174.5 | -57.1 | -166.7 | 146.1 | 0 | 0 | 109.6 | T158 G159 T205 | T158-E221 CarbonylContact C-O 3.47Å; T158-E221 VanDerWaalsContact CA-O 3.28Å; T158-E221 WeakPolarHBondContact CA-O 3.5Å; G159-E221 PolarHBondContact N-O 3.36Å; G159-E221 WeakPolarHBondContact O-CB 3.38Å; G159-E221 PolarHBondContact O-N 2.9Å; T205-E221 HydrophobicContact CG2-CG 4.2Å |
| 222 | Q | 94.6 | Very high | 90.5 | Very high | 100 Ų | 100 | 57.3 Ų | 57.3 | 47% | 0.467 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.6 | 166.5 | -60.8 | -165.9 | -67.2 | 0 | 0 | 107.7 | S157 T158 A204 | S157-Q222 WeakPolarHBondContact O-CA 3.43Å; T158-Q222 HydrophobicContact CG2-CG 4.17Å; T158-Q222 PolarHBondContact OG1-NE2 3.03Å; A204-Q222 PolarHBondContact N-O 2.98Å; A204-Q222 PolarHBondContact O-N 3.02Å |
| 223 | T | 95.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 8% | 0.08 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.1 | 174.7 | -60.3 | 0 | 0 | 0 | 0 | 109 | N156 S157 V201 D202 K203 | N156-T223 CarbonylContact C-O 3.6Å; N156-T223 VanDerWaalsContact CA-O 3.31Å; N156-T223 WeakPolarHBondContact CA-O 3.4Å; S157-T223 PolarHBondContact N-O 2.68Å; S157-T223 PolarHBondContact O-N 2.93Å; S157-T223 WeakPolarHBondContact OG-CB 3.34Å; V201-T223 HydrophobicContact CG1-CG2 3.59Å; D202-T223 CarbonylContact O-C 3.57Å; D202-T223 WeakPolarHBondContact O-CA 3.35Å; K203-T223 HydrophobicContact CG-CG2 4.02Å |
| 224 | Q | 97 | Very high | 89.6 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.6 | 166.8 | 173 | 171.8 | -65.2 | 0 | 0 | 108.3 | N156 D202 H226 | N156-Q224 WeakPolarHBondContact OD1-CG 3.11Å; N156-Q224 PolarHBondContact OD1-OE1 3.08Å; D202-Q224 PolarHBondContact N-O 2.89Å; D202-Q224 PolarHBondContact O-N 3.31Å; Q224-H226 WeakPolarHBondContact CG-NE2 3.45Å; Q224-H226 PolarHBondContact NE2-NE2 2.84Å |
| 225 | S | 97 | Very high | 88.8 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.007 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.5 | 179.8 | 171 | 0 | 0 | 0 | 0 | 111.1 | R154 H155 K200 | R154-S225 CarbonylContact C-O 3.5Å; R154-S225 VanDerWaalsContact CA-O 3.31Å; R154-S225 WeakPolarHBondContact CA-O 3.2Å; H155-S225 WeakPolarHBondContact CE1-CB 3.39Å; H155-S225 PolarHBondContact CE1-OG 3.1Å; H155-S225 VanDerWaalsContact CE1-OG 3.23Å; H155-S225 PolarHBondContact N-O 2.94Å; H155-S225 VanDerWaalsContact NE2-CB 3.35Å; H155-S225 WeakPolarHBondContact NE2-CB 3.31Å; H155-S225 PolarHBondContact O-N 3.05Å; K200-S225 CarbonylContact O-C 3.55Å; K200-S225 VanDerWaalsContact O-CA 3.3Å; K200-S225 WeakPolarHBondContact O-CA 3.18Å |
| 226 | H | 97.1 | Very high | 87.9 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 33% | 0.329 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 122.4 | 173.3 | -65 | -103.7 | 0 | 0 | 0 | 108.4 | F153 R154 E199 K200 Q224 | F153-H226 CarbonylContact O-C 3.58Å; F153-H226 WeakPolarHBondContact O-CA 3.5Å; R154-H226 WeakPolarHBondContact CD-CE1 3.42Å; R154-H226 PolarHBondContact NE-CE1 3.1Å; E199-H226 WeakPolarHBondContact CA-O 3.24Å; K200-H226 PolarHBondContact N-O 3.09Å; K200-H226 PolarHBondContact O-N 3.38Å; Q224-H226 WeakPolarHBondContact CG-NE2 3.45Å; Q224-H226 PolarHBondContact NE2-NE2 2.84Å |
| 227 | V | 97.1 | Very high | 87.7 | Confident | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.3 | -178.1 | -168.5 | 0 | 0 | 0 | 0 | 109.7 | Y152 F153 I196 Y198 E199 | Y152-V227 CarbonylContact C-O 3.5Å; Y152-V227 WeakPolarHBondContact CA-O 3.21Å; F153-V227 PolarHBondContact N-O 2.89Å; F153-V227 PolarHBondContact O-N 3.45Å; I196-V227 HydrophobicContact CG1-CG1 4.29Å; I196-V227 HydrophobicContact CG2-CG1 4.07Å; Y198-V227 CarbonylContact O-C 3.57Å; Y198-V227 WeakPolarHBondContact O-CA 3.31Å; E199-V227 HydrophobicContact CG-CG2 4.25Å |
| 228 | S | 96.1 | Very high | 87.9 | Confident | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.6 | 167.8 | -173.1 | 0 | 0 | 0 | 0 | 109 | Y152 E197 Y198 | Y152-S228 VanDerWaalsContact CE1-OG 3.28Å; Y152-S228 WeakPolarHBondContact CE1-OG 3.34Å; E197-S228 PolarHBondContact N-O 2.89Å; E197-S228 PolarHBondContact OE2-OG 2.85Å; Y198-S228 PolarHBondContact N-O 2.89Å; Y198-S228 PolarHBondContact O-N 2.84Å |
| 229 | W | 95.7 | Very high | 88.2 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 134.9 | 165.5 | -69.9 | 76.4 | 0 | 0 | 0 | 109.4 | S150 V151 F153 L167 I184 F192 C194 R195 I196 | S150-W229 CarbonylContact C-O 3.54Å; S150-W229 WeakPolarHBondContact CA-O 3.3Å; S150-W229 WeakPolarHBondContact CB-O 2.96Å; V151-W229 HydrophobicContact CB-CB 4.36Å; V151-W229 PolarHBondContact N-O 3.19Å; V151-W229 PolarHBondContact O-N 3.27Å; F153-W229 AromaticContact CD2-CD1 3.84Å; F153-W229 AromaticContact CD2-NE1 4Å; L167-W229 HydrophobicContact CB-CD2 4.08Å; L167-W229 HydrophobicContact CB-CE3 4Å; L167-W229 HydrophobicContact CB-CZ3 4.22Å; L167-W229 HydrophobicContact CD1-CB 3.66Å; L167-W229 HydrophobicContact CD1-CD2 3.99Å; L167-W229 HydrophobicContact CD1-CE3 4.19Å; L167-W229 HydrophobicContact CD1-CG 3.77Å; L167-W229 HydrophobicContact CG-CB 4.36Å; L167-W229 HydrophobicContact CG-CD2 3.9Å; L167-W229 HydrophobicContact CG-CE3 4.25Å; L167-W229 HydrophobicContact CG-CG 3.94Å; I184-W229 HydrophobicContact CD1-CH2 4Å; I184-W229 HydrophobicContact CD1-CZ3 3.94Å; F192-W229 HydrophobicContact CE1-CZ3 4.36Å; C194-W229 HydrophobicContact CB-CE3 4.15Å; R195-W229 CarbonylContact O-C 3.53Å; R195-W229 WeakPolarHBondContact O-CA 3.49Å; I196-W229 HydrophobicContact CD1-CH2 4.18Å; I196-W229 HydrophobicContact CD1-CZ2 3.86Å; I196-W229 HydrophobicContact CG1-CD2 3.96Å; I196-W229 HydrophobicContact CG1-CE3 4.14Å; I196-W229 HydrophobicContact CG1-CH2 3.79Å; I196-W229 HydrophobicContact CG1-CZ2 3.56Å; I196-W229 HydrophobicContact CG1-CZ3 4.07Å |
| 230 | L | 93.9 | Very high | 88.7 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.8 | 169.9 | -179.7 | 66.4 | 0 | 0 | 0 | 109.2 | C194 R195 E197 | C194-L230 WeakPolarHBondContact CA-O 3.5Å; R195-L230 PolarHBondContact N-O 2.86Å; R195-L230 PolarHBondContact O-N 2.8Å; E197-L230 HydrophobicContact CB-CB 4.1Å |
| 231 | C | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137 | -176.2 | -65.3 | 0 | 0 | 0 | 0 | 111.8 | T148 F149 N193 C194 | T148-C231 CarbonylContact C-O 3.54Å; T148-C231 WeakPolarHBondContact CA-O 3.41Å; T148-C231 VanDerWaalsContact CB-O 3.3Å; T148-C231 WeakPolarHBondContact CB-O 3.37Å; F149-C231 HydrophobicContact CD1-CB 3.68Å; F149-C231 WeakPolarHBondContact CD1-O 3.05Å; F149-C231 HydrophobicContact CD2-CB 4.15Å; F149-C231 HydrophobicContact CE1-CB 3.14Å; F149-C231 HydrophobicContact CE2-CB 3.7Å; F149-C231 HydrophobicContact CG-CB 4.17Å; F149-C231 HydrophobicContact CZ-CB 3.18Å; F149-C231 PolarHBondContact N-O 2.72Å; F149-C231 PolarHBondContact O-N 2.87Å; N193-C231 VanDerWaalsContact O-CA 3.32Å; N193-C231 WeakPolarHBondContact O-CA 3.49Å; C194-C231 HydrophobicContact CB-CB 4.13Å; C194-C231 WeakPolarHBondContact CB-SG 3.37Å; C194-C231 WeakPolarHBondContact SG-CB 3.46Å; C194-C231 CovalentContact SG-SG 2.04Å; C194-C231 PolarHBondContact SG-SG 2.95Å |
| 232 | S | 89.6 | Confident | 89.2 | Confident | 39 Ų | 39 | 37.3 Ų | 37.3 | 27% | 0.273 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 144.1 | -178.9 | -64 | 0 | 0 | 0 | 0 | 113.4 | N193 | N193-S232 WeakPolarHBondContact CB-O 3.18Å; N193-S232 PolarHBondContact O-N 3.4Å |
| 233 | K | 78.9 | Confident | 89.2 | Confident | 88 Ų | 88 | 32.8 Ų | 32.8 | 38% | 0.383 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -69.2 | 154.9 | 163.6 | -72.6 | 174.1 | -167.9 | 165.2 | 0 | 111.4 | M118 G147 F235 | M118-K233 VanDerWaalsContact CE-NZ 3.28Å; M118-K233 VanDerWaalsContact SD-CE 3.52Å; M118-K233 PolarHBondContact SD-NZ 3.34Å; G147-K233 WeakPolarHBondContact O-CB 3.39Å; G147-K233 VanDerWaalsContact O-CG 3.25Å; G147-K233 WeakPolarHBondContact O-CG 3.49Å; G147-K233 PolarHBondContact O-N 3.13Å; K233-F235 HydrophobicContact CB-CD1 4.32Å; K233-F235 HydrophobicContact CD-CE1 4.36Å; K233-F235 HydrophobicContact CG-CD1 3.6Å; K233-F235 HydrophobicContact CG-CE1 3.41Å; K233-F235 VanDerWaalsContact CG-CE1 3.41Å |
| 234 | P | 69.4 | Low | 89.2 | Confident | 121 Ų | 121 | 32.2 Ų | 32.2 | 79% | 0.786 | 16% | 0.164 | S | C | * | . | S | Bend | cis | -79.2 | 124.2 | -6 | 31.7 | -32.3 | 0 | 0 | 0 | 110.8 | N193 | N193-P234 PolarHBondContact ND2-O 3.15Š|
| 235 | F | 67.1 | Low | 89.1 | Confident | 41 Ų | 41 | 31.1 Ų | 31.1 | 18% | 0.18 | 16% | 0.157 | C | C | . | . | trans | -113.8 | 146.6 | 176 | 61.1 | -92.8 | 0 | 0 | 0 | 110.5 | F119 F149 K233 | F119-F235 HydrophobicContact CD1-CE2 4.5Å; F119-F235 HydrophobicContact CE1-CD2 4.49Å; F119-F235 AromaticContact CE1-CE2 3.43Å; F119-F235 HydrophobicContact CE1-CE2 3.43Å; F119-F235 VanDerWaalsContact CE1-CE2 3.43Å; F119-F235 AromaticContact CE1-CZ 3.59Å; F119-F235 HydrophobicContact CE1-CZ 3.59Å; F119-F235 HydrophobicContact CE2-CZ 4.16Å; F119-F235 HydrophobicContact CZ-CE1 4.11Å; F119-F235 AromaticContact CZ-CE2 3.61Å; F119-F235 HydrophobicContact CZ-CE2 3.61Å; F119-F235 AromaticContact CZ-CZ 3.22Å; F119-F235 HydrophobicContact CZ-CZ 3.22Å; F149-F235 HydrophobicContact CD1-CD1 4.02Å; F149-F235 AromaticContact CD1-CE1 3.52Å; F149-F235 HydrophobicContact CD1-CE1 3.52Å; F149-F235 AromaticContact CD1-CZ 3.98Å; F149-F235 HydrophobicContact CD1-CZ 3.98Å; F149-F235 AromaticContact CE1-CD1 3.37Å; F149-F235 HydrophobicContact CE1-CD1 3.37Å; F149-F235 HydrophobicContact CE1-CD2 4.1Å; F149-F235 AromaticContact CE1-CE1 3.24Å; F149-F235 HydrophobicContact CE1-CE1 3.24Å; F149-F235 HydrophobicContact CE1-CE2 4.02Å; F149-F235 AromaticContact CE1-CG 3.82Å; F149-F235 HydrophobicContact CE1-CG 3.82Å; F149-F235 AromaticContact CE1-CZ 3.62Å; F149-F235 HydrophobicContact CE1-CZ 3.62Å; F149-F235 HydrophobicContact CZ-CD1 4.34Å; F149-F235 HydrophobicContact CZ-CD2 4.35Å; F149-F235 HydrophobicContact CZ-CE1 4.26Å; F149-F235 HydrophobicContact CZ-CE2 4.3Å; F149-F235 HydrophobicContact CZ-CG 4.39Å; F149-F235 HydrophobicContact CZ-CZ 4.27Å; K233-F235 HydrophobicContact CB-CD1 4.32Å; K233-F235 HydrophobicContact CD-CE1 4.36Å; K233-F235 HydrophobicContact CG-CD1 3.6Å; K233-F235 HydrophobicContact CG-CE1 3.41Å; K233-F235 VanDerWaalsContact CG-CE1 3.41Å | ||
| 236 | K | 67.9 | Low | 88.9 | Confident | 181 Ų | 181 | 31.6 Ų | 31.6 | 79% | 0.787 | 16% | 0.16 | S | C | * | . | trans | -93.5 | -178.4 | 164.4 | -64.5 | 179.8 | 179.1 | 179.1 | 0 | 108.5 | I238 | K236-I238 PolarHBondContact O-N 3.4Š| ||
| 237 | V | 80.4 | Confident | 88.6 | Confident | 10 Ų | 10 | 32.8 Ų | 32.8 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | trans | -37.3 | 128.8 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | P170 C256 Y259 H262 | P170-V237 VanDerWaalsContact CD-O 3.23Å; P170-V237 WeakPolarHBondContact CD-O 3.23Å; P170-V237 HydrophobicContact CG-CB 3.74Å; P170-V237 HydrophobicContact CG-CG1 4.07Å; P170-V237 WeakPolarHBondContact CG-O 3.31Å; V237-C256 HydrophobicContact CG1-CB 4.21Å; V237-Y259 HydrophobicContact CG1-CD2 4.09Å; V237-Y259 HydrophobicContact CG1-CG 4.5Å; V237-Y259 HydrophobicContact CG2-CD2 4.36Å; V237-H262 HydrophobicContact CG2-CB 3.64Å | ||
| 238 | I | 88.2 | Confident | 88.4 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | trans | -103.2 | 148.7 | 167 | 55.5 | 164.5 | 0 | 0 | 0 | 110 | W121 F149 V151 L167 F192 K236 | W121-I238 HydrophobicContact CH2-CD1 4.09Å; W121-I238 HydrophobicContact CZ2-CD1 3.73Å; W121-I238 HydrophobicContact CZ2-CG1 4Å; F149-I238 HydrophobicContact CE2-CD1 3.7Å; F149-I238 HydrophobicContact CZ-CD1 3.84Å; V151-I238 HydrophobicContact CG2-CD1 4.28Å; L167-I238 HydrophobicContact CD1-CD1 4.33Å; L167-I238 HydrophobicContact CD2-CD1 4.37Å; F192-I238 HydrophobicContact CE2-CG2 4.26Å; K236-I238 PolarHBondContact O-N 3.4Å | ||
| 239 | C | 91 | Very high | 88.4 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 149.9 | 176.5 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | L167 V168 P170 K254 V255 C256 | L167-C239 WeakPolarHBondContact CA-O 3.19Å; V168-C239 HydrophobicContact CG2-CB 3.96Å; V168-C239 PolarHBondContact N-O 2.79Å; V168-C239 PolarHBondContact O-N 3.49Å; P170-C239 VanDerWaalsContact CA-SG 3.59Å; C239-K254 HydrophobicContact CB-CD 4.26Å; C239-K254 HydrophobicContact CB-CG 3.81Å; C239-V255 CarbonylContact C-O 3.55Å; C239-V255 WeakPolarHBondContact CA-O 3.12Å; C239-V255 WeakPolarHBondContact CB-O 3.48Å; C239-C256 HydrophobicContact CB-CB 4.06Å; C239-C256 WeakPolarHBondContact CB-SG 3.45Å; C239-C256 WeakPolarHBondContact SG-CB 3.28Å; C239-C256 CovalentContact SG-SG 2.03Å; C239-C256 PolarHBondContact SG-SG 2.97Å |
| 240 | I | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.3 | 173.7 | -51.1 | 174.5 | 0 | 0 | 0 | 106.6 | W121 F124 F153 V165 L167 I242 K254 V255 | W121-I240 HydrophobicContact CH2-CD1 4.31Å; W121-I240 HydrophobicContact CZ3-CD1 3.98Å; F124-I240 HydrophobicContact CB-CD1 4.09Å; F124-I240 HydrophobicContact CD1-CD1 3.77Å; F124-I240 HydrophobicContact CD2-CD1 3.52Å; F124-I240 HydrophobicContact CE1-CD1 4.04Å; F124-I240 HydrophobicContact CE1-CG2 4.23Å; F124-I240 HydrophobicContact CE2-CD1 3.82Å; F124-I240 HydrophobicContact CG-CD1 3.49Å; F124-I240 VanDerWaalsContact CG-CD1 3.49Å; F124-I240 HydrophobicContact CZ-CD1 4.06Å; F124-I240 HydrophobicContact CZ-CG2 4.39Å; F153-I240 HydrophobicContact CE1-CD1 4.11Å; F153-I240 HydrophobicContact CE1-CG1 4.38Å; F153-I240 HydrophobicContact CE1-CG2 3.97Å; F153-I240 HydrophobicContact CZ-CD1 4.23Å; F153-I240 HydrophobicContact CZ-CG1 4.05Å; F153-I240 HydrophobicContact CZ-CG2 3.92Å; V165-I240 HydrophobicContact CG1-CG2 4.02Å; L167-I240 HydrophobicContact CD2-CG1 4.41Å; I240-I242 HydrophobicContact CG2-CD1 4.49Å; I240-I242 HydrophobicContact CG2-CG1 4.19Å; I240-K254 CarbonylContact O-C 3.57Å; I240-K254 WeakPolarHBondContact O-CA 2.98Å; I240-V255 PolarHBondContact N-O 2.97Å; I240-V255 PolarHBondContact O-N 3.07Å |
| 241 | Y | 94.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 132.4 | 173.1 | -159.4 | -93.8 | 0 | 0 | 0 | 109.2 | V165 S166 V168 K172 V174 E175 S243 V252 Q253 K254 | V165-Y241 WeakPolarHBondContact CA-O 3.15Å; S166-Y241 PolarHBondContact N-O 3.13Å; S166-Y241 PolarHBondContact O-N 2.04Å; V168-Y241 HydrophobicContact CG1-CG 4.25Å; V168-Y241 HydrophobicContact CG2-CD2 4.24Å; V168-Y241 HydrophobicContact CG2-CG 4.47Å; K172-Y241 HydrophobicContact CG-CD2 4.28Å; K172-Y241 HydrophobicContact CG-CE2 4.28Å; V174-Y241 HydrophobicContact CG2-CE2 4.41Å; E175-Y241 PolarHBondContact N-OH 2.9Å; E175-Y241 VanDerWaalsContact N-OH 3.1Å; E175-Y241 PolarHBondContact O-OH 2.84Å; E175-Y241 VanDerWaalsContact O-OH 3.05Å; Y241-S243 WeakPolarHBondContact CE1-OG 3.42Å; Y241-V252 HydrophobicContact CE1-CG1 4.48Å; Y241-Q253 WeakPolarHBondContact CA-O 3.32Å; Y241-K254 HydrophobicContact CD2-CB 4.05Å; Y241-K254 HydrophobicContact CD2-CG 4.42Å; Y241-K254 HydrophobicContact CE2-CB 4.43Å |
| 242 | I | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123.9 | 179.9 | -58.2 | 166.7 | 0 | 0 | 0 | 107.8 | F124 I128 L135 I137 S164 V165 I240 V252 Q253 | F124-I242 HydrophobicContact CE1-CD1 4.21Å; F124-I242 HydrophobicContact CZ-CD1 3.93Å; I128-I242 HydrophobicContact CD1-CG2 3.8Å; L135-I242 HydrophobicContact CD2-CG2 4.26Å; I137-I242 HydrophobicContact CD1-CB 4.47Å; I137-I242 HydrophobicContact CD1-CD1 3.65Å; I137-I242 HydrophobicContact CD1-CG1 3.87Å; I137-I242 HydrophobicContact CD1-CG2 3.73Å; S164-I242 WeakPolarHBondContact O-CA 3.33Å; V165-I242 HydrophobicContact CG1-CG1 4.47Å; I240-I242 HydrophobicContact CG2-CD1 4.49Å; I240-I242 HydrophobicContact CG2-CG1 4.19Å; I242-V252 CarbonylContact O-C 3.6Å; I242-V252 WeakPolarHBondContact O-CA 3.49Å; I242-Q253 HydrophobicContact CB-CB 4.5Å; I242-Q253 PolarHBondContact N-O 3.13Å; I242-Q253 PolarHBondContact O-N 2.9Å |
| 243 | S | 94.9 | Very high | 88.6 | Confident | 6 Ų | 6 | 52.7 Ų | 52.7 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129 | 169.7 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | V163 S164 Y241 | V163-S243 WeakPolarHBondContact CA-O 3.23Å; S164-S243 PolarHBondContact N-O 3.1Å; S164-S243 PolarHBondContact O-N 3.44Å; S164-S243 WeakPolarHBondContact OG-CB 3.32Å; Y241-S243 WeakPolarHBondContact CE1-OG 3.42Å |
| 244 | F | 95.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 114.6 | 177.4 | 179 | -81 | 0 | 0 | 0 | 108.6 | I128 T130 L133 L135 V163 K250 L251 | I128-F244 HydrophobicContact CB-CD2 3.98Å; I128-F244 HydrophobicContact CB-CE2 4.16Å; I128-F244 HydrophobicContact CD1-CB 4.44Å; I128-F244 HydrophobicContact CG2-CB 4.37Å; I128-F244 HydrophobicContact CG2-CD1 4.05Å; I128-F244 HydrophobicContact CG2-CD2 3.55Å; I128-F244 HydrophobicContact CG2-CE1 4.19Å; I128-F244 HydrophobicContact CG2-CE2 3.68Å; I128-F244 HydrophobicContact CG2-CG 3.74Å; I128-F244 HydrophobicContact CG2-CZ 4Å; T130-F244 HydrophobicContact CG2-CE1 3.56Å; T130-F244 HydrophobicContact CG2-CZ 3.7Å; L133-F244 HydrophobicContact CB-CE2 4.12Å; L133-F244 HydrophobicContact CB-CZ 3.7Å; L133-F244 HydrophobicContact CD2-CD2 4.09Å; L133-F244 HydrophobicContact CD2-CE1 4.27Å; L133-F244 HydrophobicContact CD2-CE2 3.62Å; L133-F244 HydrophobicContact CD2-CZ 3.72Å; L133-F244 HydrophobicContact CG-CE2 3.68Å; L133-F244 HydrophobicContact CG-CZ 3.78Å; L135-F244 HydrophobicContact CB-CD2 3.88Å; L135-F244 HydrophobicContact CB-CE2 3.88Å; L135-F244 HydrophobicContact CD2-CD2 3.85Å; V163-F244 HydrophobicContact CG1-CD2 4.24Å; F244-K250 CarbonylContact O-C 3.48Å; F244-K250 WeakPolarHBondContact O-CA 3.32Å; F244-L251 HydrophobicContact CB-CB 4.33Å; F244-L251 PolarHBondContact N-O 2.76Å; F244-L251 PolarHBondContact O-N 3.42Å |
| 245 | Y | 94.8 | Very high | 90.4 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 16% | 0.157 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 86.3 | -178.4 | -73.1 | -68.8 | 0 | 0 | 0 | 110 | G161 N162 F176 D177 K250 | G161-Y245 CarbonylContact C-O 3.5Å; G161-Y245 WeakPolarHBondContact CA-O 3.4Å; N162-Y245 PolarHBondContact N-O 3.42Å; N162-Y245 PolarHBondContact O-N 3.02Å; F176-Y245 VanDerWaalsContact C-OH 3.22Å; F176-Y245 VanDerWaalsContact CA-OH 3.26Å; F176-Y245 WeakPolarHBondContact CA-OH 3.41Å; F176-Y245 HydrophobicContact CD1-CE1 4Å; D177-Y245 PolarHBondContact N-OH 3Å; D177-Y245 VanDerWaalsContact N-OH 3.08Å; D177-Y245 WeakPolarHBondContact O-CE2 3.06Å; D177-Y245 VanDerWaalsContact O-CZ 3.28Å; D177-Y245 PolarHBondContact O-OH 2.94Å; Y245-K250 HydrophobicContact CD1-CB 3.94Å; Y245-K250 HydrophobicContact CD1-CD 3.72Å; Y245-K250 HydrophobicContact CD1-CG 3.74Å; Y245-K250 HydrophobicContact CE1-CB 4.15Å; Y245-K250 HydrophobicContact CE1-CD 3.91Å; Y245-K250 HydrophobicContact CE1-CG 4.24Å |
| 246 | S | 93.6 | Very high | 91.5 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 178.1 | 169.8 | -161.3 | 0 | 0 | 0 | 0 | 111.7 | K132 L133 Q160 D248 Y249 | K132-S246 WeakPolarHBondContact CB-OG 3.39Å; L133-S246 WeakPolarHBondContact CB-OG 3.48Å; Q160-S246 PolarHBondContact O-OG 2.85Å; S246-D248 WeakPolarHBondContact CB-OD1 3.04Å; S246-D248 PolarHBondContact OG-OD1 2.85Å; S246-Y249 WeakPolarHBondContact CA-O 3.24Å; S246-Y249 PolarHBondContact N-O 3.39Å |
| 247 | T | 90.8 | Very high | 92.3 | Very high | 96 Ų | 96 | 38.6 Ų | 38.6 | 59% | 0.589 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -80.9 | -18.3 | 176.5 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | K132 Q160 | K132-T247 WeakPolarHBondContact CB-OG1 3.28Å; K132-T247 WeakPolarHBondContact CG-OG1 3.34Å; Q160-T247 HydrophobicContact CB-CG2 4.32Å |
| 248 | D | 92.8 | Very high | 92.3 | Very high | 51 Ų | 51 | 38.8 Ų | 38.8 | 27% | 0.273 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -99.5 | -44.1 | 175.8 | 55.7 | 5.3 | 0 | 0 | 0 | 113.2 | T130 V131 K132 S246 | T130-D248 WeakPolarHBondContact CB-OD1 3.18Å; T130-D248 WeakPolarHBondContact CB-OD2 3.17Å; T130-D248 VanDerWaalsContact OG1-CG 3.29Å; T130-D248 PolarHBondContact OG1-OD1 3.33Å; T130-D248 PolarHBondContact OG1-OD2 2.92Å; T130-D248 VanDerWaalsContact OG1-OD2 3.05Å; V131-D248 PolarHBondContact N-OD2 3.14Å; K132-D248 HydrophobicContact CB-CB 4.44Å; K132-D248 HydrophobicContact CG-CB 3.93Å; K132-D248 WeakPolarHBondContact CG-OD2 3.02Å; K132-D248 PolarHBondContact N-OD2 2.89Å; S246-D248 WeakPolarHBondContact CB-OD1 3.04Å; S246-D248 PolarHBondContact OG-OD1 2.85Å |
| 249 | Y | 94.3 | Very high | 91.8 | Very high | 161 Ų | 161 | 40.1 Ų | 40.1 | 63% | 0.631 | 20% | 0.2 | S | C | * | . | trans | -136.3 | 157 | 179 | -64 | -90.2 | 0 | 0 | 0 | 113.6 | T130 S246 | T130-Y249 HydrophobicContact CG2-CD2 3.92Å; T130-Y249 HydrophobicContact CG2-CG 4.34Å; S246-Y249 WeakPolarHBondContact CA-O 3.24Å; S246-Y249 PolarHBondContact N-O 3.39Å | ||
| 250 | K | 94.7 | Very high | 91 | Very high | 120 Ų | 120 | 46.4 Ų | 46.4 | 52% | 0.522 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 137.5 | 173.2 | -54.3 | -178 | 173.9 | -177.6 | 0 | 108.9 | F176 F244 Y245 | F176-K250 HydrophobicContact CD1-CB 4.15Å; F176-K250 HydrophobicContact CE1-CB 3.77Å; F244-K250 CarbonylContact O-C 3.48Å; F244-K250 WeakPolarHBondContact O-CA 3.32Å; Y245-K250 HydrophobicContact CD1-CB 3.94Å; Y245-K250 HydrophobicContact CD1-CD 3.72Å; Y245-K250 HydrophobicContact CD1-CG 3.74Å; Y245-K250 HydrophobicContact CE1-CB 4.15Å; Y245-K250 HydrophobicContact CE1-CD 3.91Å; Y245-K250 HydrophobicContact CE1-CG 4.24Å |
| 251 | L | 94.6 | Very high | 89.9 | Confident | 68 Ų | 68 | 51.4 Ų | 51.4 | 36% | 0.356 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 136.9 | 178.4 | -179.4 | 152.9 | 0 | 0 | 0 | 109.7 | I128 F244 Q253 | I128-L251 HydrophobicContact CD1-CD2 3.92Å; F244-L251 HydrophobicContact CB-CB 4.33Å; F244-L251 PolarHBondContact N-O 2.76Å; F244-L251 PolarHBondContact O-N 3.42Å; L251-Q253 HydrophobicContact CD2-CB 3.98Å |
| 252 | V | 94.4 | Very high | 88.6 | Confident | 23 Ų | 23 | 55.3 Ų | 55.3 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.9 | 169.5 | -74.7 | 0 | 0 | 0 | 0 | 109.3 | V174 F176 Y241 I242 | V174-V252 HydrophobicContact CG1-CB 4.12Å; V174-V252 HydrophobicContact CG1-CG2 3.58Å; F176-V252 HydrophobicContact CD1-CG1 4.01Å; F176-V252 HydrophobicContact CD1-CG2 3.95Å; F176-V252 HydrophobicContact CE1-CG1 4.27Å; F176-V252 HydrophobicContact CE1-CG2 3.82Å; F176-V252 HydrophobicContact CG-CG2 4.41Å; F176-V252 HydrophobicContact CZ-CG2 4.17Å; Y241-V252 HydrophobicContact CE1-CG1 4.48Å; I242-V252 CarbonylContact O-C 3.6Å; I242-V252 WeakPolarHBondContact O-CA 3.49Å |
| 253 | Q | 93.3 | Very high | 87.1 | Confident | 78 Ų | 78 | 57 Ų | 57 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 129.8 | -176 | -172.6 | -179 | 49.3 | 0 | 0 | 110.7 | Y241 I242 L251 V255 | Y241-Q253 WeakPolarHBondContact CA-O 3.32Å; I242-Q253 HydrophobicContact CB-CB 4.5Å; I242-Q253 PolarHBondContact N-O 3.13Å; I242-Q253 PolarHBondContact O-N 2.9Å; L251-Q253 HydrophobicContact CD2-CB 3.98Å; Q253-V255 HydrophobicContact CG-CG2 3.91Å |
| 254 | K | 92.8 | Very high | 85.7 | Confident | 24 Ų | 24 | 63.9 Ų | 63.9 | 10% | 0.104 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.1 | 170.1 | -177.4 | -179.3 | 65 | 179.1 | 0 | 109.6 | V168 P170 K172 V174 C239 I240 Y241 Y267 | V168-K254 HydrophobicContact CG2-CD 4.38Å; V168-K254 HydrophobicContact CG2-CG 4.4Å; P170-K254 PolarHBondContact O-NZ 3.22Å; K172-K254 WeakPolarHBondContact O-CD 3.5Å; K172-K254 WeakPolarHBondContact O-CE 3.46Å; K172-K254 PolarHBondContact O-NZ 3.19Å; V174-K254 HydrophobicContact CG2-CB 3.55Å; V174-K254 HydrophobicContact CG2-CD 4.41Å; C239-K254 HydrophobicContact CB-CD 4.26Å; C239-K254 HydrophobicContact CB-CG 3.81Å; I240-K254 CarbonylContact O-C 3.57Å; I240-K254 WeakPolarHBondContact O-CA 2.98Å; Y241-K254 HydrophobicContact CD2-CB 4.05Å; Y241-K254 HydrophobicContact CD2-CG 4.42Å; Y241-K254 HydrophobicContact CE2-CB 4.43Å; K254-Y267 PolarHBondContact O-OH 2.94Å |
| 255 | V | 91.8 | Very high | 84.4 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 25% | 0.248 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.6 | 178.4 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | F124 C239 I240 Q253 P257 | F124-V255 HydrophobicContact CE2-CB 4.47Å; F124-V255 HydrophobicContact CE2-CG1 4.32Å; F124-V255 HydrophobicContact CE2-CG2 4.44Å; C239-V255 CarbonylContact C-O 3.55Å; C239-V255 WeakPolarHBondContact CA-O 3.12Å; C239-V255 WeakPolarHBondContact CB-O 3.48Å; I240-V255 PolarHBondContact N-O 2.97Å; I240-V255 PolarHBondContact O-N 3.07Å; Q253-V255 HydrophobicContact CG-CG2 3.91Å; V255-P257 HydrophobicContact CG1-CG 4.28Å; V255-P257 WeakPolarHBondContact O-CD 3.48Å |
| 256 | C | 90.5 | Very high | 82.9 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 11% | 0.108 | 36% | 0.359 | C | S | . | . | trans | -122.1 | 80.6 | -177.7 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | V237 C239 D258 Y259 Y267 | V237-C256 HydrophobicContact CG1-CB 4.21Å; C239-C256 HydrophobicContact CB-CB 4.06Å; C239-C256 WeakPolarHBondContact CB-SG 3.45Å; C239-C256 WeakPolarHBondContact SG-CB 3.28Å; C239-C256 CovalentContact SG-SG 2.03Å; C239-C256 PolarHBondContact SG-SG 2.97Å; C256-D258 PolarHBondContact O-N 3.02Å; C256-Y259 HydrophobicContact CB-CD2 4.31Å; C256-Y259 WeakPolarHBondContact O-CB 3.33Å; C256-Y259 PolarHBondContact O-N 3.4Å; C256-Y267 HydrophobicContact CB-CE2 4.23Å | ||
| 257 | P | 85.1 | Confident | 81.2 | Confident | 54 Ų | 54 | 72.3 Ų | 72.3 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -38.5 | -163.4 | -25.2 | 34.6 | 0 | 0 | 0 | 115.1 | W121 V255 | W121-P257 HydrophobicContact CB-CB 4.04Å; W121-P257 VanDerWaalsContact CD1-CB 3.48Å; W121-P257 HydrophobicContact CD2-CB 4.09Å; W121-P257 HydrophobicContact CD2-CG 3.94Å; W121-P257 HydrophobicContact CE3-CG 4.4Å; W121-P257 HydrophobicContact CG-CB 3.64Å; W121-P257 HydrophobicContact CG-CG 4.03Å; V255-P257 HydrophobicContact CG1-CG 4.28Å; V255-P257 WeakPolarHBondContact O-CD 3.48Å |
| 258 | D | 81 | Confident | 79.8 | Confident | 14 Ų | 14 | 75.5 Ų | 75.5 | 8% | 0.075 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 17.9 | -178.5 | -67 | -34 | 0 | 0 | 0 | 113.4 | F119 G120 W121 C256 N260 Y261 H262 | F119-D258 WeakPolarHBondContact CA-OD2 3.25Å; G120-D258 WeakPolarHBondContact CA-OD1 3.43Å; G120-D258 VanDerWaalsContact N-CG 3.35Å; G120-D258 PolarHBondContact N-OD1 2.89Å; G120-D258 PolarHBondContact N-OD2 3.31Å; G120-D258 VanDerWaalsContact N-OD2 3.14Å; W121-D258 VanDerWaalsContact CD1-CG 3.41Å; W121-D258 PolarHBondContact NE1-OD2 2.98Å; C256-D258 PolarHBondContact O-N 3.02Å; D258-N260 PolarHBondContact O-N 3.44Å; D258-Y261 PolarHBondContact O-N 3.2Å; D258-H262 PolarHBondContact O-CD2 2.96Å; D258-H262 PolarHBondContact O-N 2.96Å |
| 259 | Y | 78.4 | Confident | 78.2 | Confident | 37 Ų | 37 | 77.7 Ų | 77.7 | 15% | 0.145 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.7 | -51.2 | -173.6 | -172.4 | -85.2 | 0 | 0 | 0 | 112.6 | P170 V237 C256 Y261 H262 S263 T265 Y267 | P170-Y259 HydrophobicContact CB-CD2 4.21Å; P170-Y259 HydrophobicContact CB-CE2 3.98Å; V237-Y259 HydrophobicContact CG1-CD2 4.09Å; V237-Y259 HydrophobicContact CG1-CG 4.5Å; V237-Y259 HydrophobicContact CG2-CD2 4.36Å; C256-Y259 HydrophobicContact CB-CD2 4.31Å; C256-Y259 WeakPolarHBondContact O-CB 3.33Å; C256-Y259 PolarHBondContact O-N 3.4Å; Y259-Y261 PolarHBondContact O-N 3.35Å; Y259-H262 PolarHBondContact O-N 3.2Å; Y259-S263 WeakPolarHBondContact O-CB 3.21Å; Y259-S263 PolarHBondContact O-N 2.92Å; Y259-T265 WeakPolarHBondContact CE1-O 3.39Å; Y259-T265 PolarHBondContact OH-OG1 3.19Å; Y259-Y267 AromaticContact CD1-CD2 3.86Å; Y259-Y267 HydrophobicContact CD1-CD2 3.86Å; Y259-Y267 HydrophobicContact CD1-CG 4.2Å; Y259-Y267 AromaticContact CD2-CD2 3.78Å; Y259-Y267 HydrophobicContact CD2-CD2 3.78Å; Y259-Y267 HydrophobicContact CD2-CE2 4.32Å; Y259-Y267 AromaticContact CE1-CD2 3.97Å; Y259-Y267 HydrophobicContact CE1-CD2 3.97Å; Y259-Y267 HydrophobicContact CE1-CG 4.35Å; Y259-Y267 AromaticContact CE2-CD2 3.92Å; Y259-Y267 HydrophobicContact CE2-CD2 3.92Å; Y259-Y267 AromaticContact CG-CD2 3.76Å; Y259-Y267 HydrophobicContact CG-CD2 3.76Å; Y259-Y267 HydrophobicContact CG-CG 4.44Å |
| 260 | N | 72.8 | Confident | 76.2 | Confident | 132 Ų | 132 | 73.3 Ų | 73.3 | 71% | 0.706 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -70.5 | -9.1 | -179.9 | -60.3 | -22.4 | 0 | 0 | 0 | 114 | D258 | D258-N260 PolarHBondContact O-N 3.44Å |
| 261 | Y | 70.8 | Confident | 73.8 | Confident | 105 Ų | 105 | 73.9 Ų | 73.9 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -90.1 | -25.5 | 177.4 | -174.7 | -100.6 | 0 | 0 | 0 | 112.4 | V110 K116 D258 Y259 | V110-Y261 HydrophobicContact CG2-CE2 4.2Å; K116-Y261 WeakPolarHBondContact CE-OH 3.3Å; D258-Y261 PolarHBondContact O-N 3.2Å; Y259-Y261 PolarHBondContact O-N 3.35Å |
| 262 | H | 68.4 | Low | 72.7 | Confident | 84 Ų | 84 | 74.2 Ų | 74.2 | 39% | 0.389 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -118.7 | -5.2 | -178.5 | -58.9 | -79.3 | 0 | 0 | 0 | 114.3 | V237 D258 Y259 | V237-H262 HydrophobicContact CG2-CB 3.64Å; D258-H262 PolarHBondContact O-CD2 2.96Å; D258-H262 PolarHBondContact O-N 2.96Å; Y259-H262 PolarHBondContact O-N 3.2Å |
| 263 | S | 64 | Low | 71.6 | Confident | 35 Ų | 35 | 76.9 Ų | 76.9 | 25% | 0.245 | 44% | 0.443 | C | S | . | . | trans | -125.1 | 126.5 | 174.7 | -149.2 | 0 | 0 | 0 | 0 | 110.9 | Y259 T265 | Y259-S263 WeakPolarHBondContact O-CB 3.21Å; Y259-S263 PolarHBondContact O-N 2.92Å; S263-T265 VanDerWaalsContact C-N 3.25Å; S263-T265 PolarHBondContact OG-OG1 3.01Å | ||
| 264 | D | 65 | Low | 70.4 | Confident | 150 Ų | 150 | 76.8 Ų | 76.8 | 80% | 0.802 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -78.7 | -10.3 | 171.1 | -68.7 | -57.2 | 0 | 0 | 0 | 111.9 | ||
| 265 | T | 69.5 | Low | 69.1 | Low | 76 Ų | 76 | 79.9 Ų | 79.9 | 47% | 0.466 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -76.9 | 139.8 | 173.6 | 57.4 | 0 | 0 | 0 | 0 | 111.1 | Y259 S263 | Y259-T265 WeakPolarHBondContact CE1-O 3.39Å; Y259-T265 PolarHBondContact OH-OG1 3.19Å; S263-T265 VanDerWaalsContact C-N 3.25Å; S263-T265 PolarHBondContact OG-OG1 3.01Å |
| 266 | P | 61.9 | Low | 67.6 | Low | 82 Ų | 82 | 82.4 Ų | 82.4 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | trans | -63.6 | 138.5 | 172.3 | 24.8 | -32 | 0 | 0 | 0 | 111.5 | F268 | P266-F268 HydrophobicContact CB-CE2 4.4Å; P266-F268 HydrophobicContact CB-CZ 4.41Å; P266-F268 HydrophobicContact CG-CE2 3.71Å; P266-F268 HydrophobicContact CG-CZ 3.81Å; P266-F268 PolarHBondContact O-N 2.9Å | ||
| 267 | Y | 59 | Low | 66.1 | Low | 71 Ų | 71 | 86.8 Ų | 86.8 | 28% | 0.278 | 51% | 0.506 | S | S | . | . | trans | -72.9 | 110.4 | 172.3 | -175.3 | -102.6 | 0 | 0 | 0 | 109.8 | K254 C256 Y259 P269 | K254-Y267 PolarHBondContact O-OH 2.94Å; C256-Y267 HydrophobicContact CB-CE2 4.23Å; Y259-Y267 AromaticContact CD1-CD2 3.86Å; Y259-Y267 HydrophobicContact CD1-CD2 3.86Å; Y259-Y267 HydrophobicContact CD1-CG 4.2Å; Y259-Y267 AromaticContact CD2-CD2 3.78Å; Y259-Y267 HydrophobicContact CD2-CD2 3.78Å; Y259-Y267 HydrophobicContact CD2-CE2 4.32Å; Y259-Y267 AromaticContact CE1-CD2 3.97Å; Y259-Y267 HydrophobicContact CE1-CD2 3.97Å; Y259-Y267 HydrophobicContact CE1-CG 4.35Å; Y259-Y267 AromaticContact CE2-CD2 3.92Å; Y259-Y267 HydrophobicContact CE2-CD2 3.92Å; Y259-Y267 AromaticContact CG-CD2 3.76Å; Y259-Y267 HydrophobicContact CG-CD2 3.76Å; Y259-Y267 HydrophobicContact CG-CG 4.44Å; Y267-P269 HydrophobicContact CD1-CB 4.49Å; Y267-P269 HydrophobicContact CE1-CB 4Å; Y267-P269 VanDerWaalsContact O-CD 3.31Å; Y267-P269 WeakPolarHBondContact O-CD 3.41Å | ||
| 268 | F | 59.9 | Low | 64.8 | Low | 164 Ų | 164 | 89.1 Ų | 89.1 | 72% | 0.719 | 52% | 0.517 | S | S | * | . | trans | -91.3 | 110.6 | 168.1 | -65.4 | -73.4 | 0 | 0 | 0 | 109.1 | P266 S270 | P266-F268 HydrophobicContact CB-CE2 4.4Å; P266-F268 HydrophobicContact CB-CZ 4.41Å; P266-F268 HydrophobicContact CG-CE2 3.71Å; P266-F268 HydrophobicContact CG-CZ 3.81Å; P266-F268 PolarHBondContact O-N 2.9Å; F268-S270 PolarHBondContact O-N 3.49Å | ||
| 269 | P | 59.3 | Low | 63.5 | Low | 96 Ų | 96 | 94.9 Ų | 94.9 | 62% | 0.623 | 55% | 0.551 | S | S | * | * | trans | -69 | 98.1 | 169.2 | 28.2 | -31.7 | 0 | 0 | 0 | 108.8 | Y267 G271 | Y267-P269 HydrophobicContact CD1-CB 4.49Å; Y267-P269 HydrophobicContact CE1-CB 4Å; Y267-P269 VanDerWaalsContact O-CD 3.31Å; Y267-P269 WeakPolarHBondContact O-CD 3.41Å; P269-G271 PolarHBondContact O-N 3.5Å | ||
| 270 | S | 52.5 | Low | 62.3 | Low | 70 Ų | 70 | 99.8 Ų | 99.8 | 49% | 0.49 | 59% | 0.585 | S | S | . | * | trans | -81.5 | 96.5 | 168 | 58.3 | 0 | 0 | 0 | 0 | 108.8 | F268 | F268-S270 PolarHBondContact O-N 3.49Š| ||
| 271 | G | 44.2 | Very low | 61.3 | Low | 132 Ų | 132 | 96.8 Ų | 96.8 | 100% | 1.361 | 57% | 0.574 | S | S | * | * | trans | 168.3 | 0 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | P269 | P269-G271 PolarHBondContact O-N 3.5Š|
Retrieved 271 of 271 residues in 94.5 ms
(Link to these results)