| 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 | 31.2 | Very low | 27.2 | Very low | 230 Ų | 230 | 152.5 Ų | 152.5 | 100% | 1.133 | 87% | 0.874 | S | S | * | * | 0 | 97.4 | 0 | -76.4 | 164.7 | 142.5 | 0 | 0 | 106.2 | |||||
| 2 | T | 30.7 | Very low | 27.3 | Very low | 142 Ų | 142 | 158.4 Ų | 158.4 | 87% | 0.871 | 87% | 0.874 | S | S | * | * | 67.2 | 119.8 | 98 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 3 | G | 27 | Very low | 27.2 | Very low | 78 Ų | 78 | 153.8 Ų | 153.8 | 80% | 0.804 | 86% | 0.86 | S | S | * | * | cis | -171.6 | 178.1 | 2.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 4 | A | 30.2 | Very low | 27.3 | Very low | 104 Ų | 104 | 154.7 Ų | 154.7 | 86% | 0.86 | 86% | 0.86 | S | S | * | * | trans | -89.4 | 151 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 5 | M | 28.1 | Very low | 27.4 | Very low | 202 Ų | 202 | 153.2 Ų | 153.2 | 100% | 0.995 | 86% | 0.856 | S | S | * | * | trans | -163.9 | 138.8 | 145.5 | -113.5 | 175.6 | 170.6 | 0 | 0 | 109.3 | ||||
| 6 | G | 24.8 | Very low | 27.6 | Very low | 79 Ų | 79 | 150.4 Ų | 150.4 | 81% | 0.814 | 85% | 0.85 | S | S | * | * | trans | -119.9 | 168.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 7 | S | 24.7 | Very low | 27.8 | Very low | 130 Ų | 130 | 150.8 Ų | 150.8 | 91% | 0.909 | 85% | 0.849 | S | S | * | * | trans | -155.5 | 166 | 161.7 | -163.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 8 | R | 24.9 | Very low | 28.2 | Very low | 236 Ų | 236 | 151.4 Ų | 151.4 | 89% | 0.891 | 85% | 0.848 | S | S | * | * | trans | -94.8 | 154.7 | -165 | -73.1 | 166.9 | 152 | 167.5 | -10.5 | 114.2 | ||||
| 9 | S | 24.7 | Very low | 28.6 | Very low | 99 Ų | 99 | 152 Ų | 152 | 69% | 0.692 | 85% | 0.847 | S | S | * | * | trans | 58.3 | 118.3 | 141.1 | -157.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 10 | N | 24.3 | Very low | 29.1 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 76% | 0.759 | 84% | 0.839 | S | S | * | * | -164.8 | 135.8 | 96.9 | -98.3 | -2.1 | 0 | 0 | 0 | 112.5 | |||||
| 11 | R | 28.4 | Very low | 29.5 | Very low | 235 Ų | 235 | 151.1 Ų | 151.1 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | -90.2 | 128.2 | 166.6 | -73.8 | -176.2 | -93.5 | -164.3 | -7.2 | 108.4 | ||||
| 12 | Y | 28.5 | Very low | 29.9 | Very low | 224 Ų | 224 | 148.3 Ų | 148.3 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | trans | -157.8 | 138.2 | 149.7 | -87.4 | -63.5 | 0 | 0 | 0 | 111.9 | ||||
| 13 | S | 25.8 | Very low | 30.4 | Very low | 98 Ų | 98 | 147.6 Ų | 147.6 | 69% | 0.685 | 81% | 0.81 | S | S | * | * | trans | 52.3 | 107.3 | 155.9 | -156.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 14 | I | 28.4 | Very low | 31 | Very low | 167 Ų | 167 | 151 Ų | 151 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | -124.3 | 143.5 | 145.1 | -62.3 | 178.5 | 0 | 0 | 0 | 106.3 | ||||
| 15 | V | 29.5 | Very low | 31.2 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | 95.7 | 78.3 | -172.8 | -168.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 16 | S | 29.8 | Very low | 31.4 | Very low | 109 Ų | 109 | 151.2 Ų | 151.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | trans | -164.2 | 66.9 | 157.6 | -76.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 17 | D | 31.1 | Very low | 31.8 | Very low | 156 Ų | 156 | 154.7 Ų | 154.7 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | trans | -128.9 | 155.9 | 167.6 | -88 | -49.5 | 0 | 0 | 0 | 109.1 | ||||
| 18 | I | 36.5 | Very low | 32.1 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 82.9 | 72.2 | -175.4 | -43.3 | 163.8 | 0 | 0 | 0 | 114.8 | ||||
| 19 | I | 35 | Very low | 32.4 | Very low | 162 Ų | 162 | 147 Ų | 147 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | trans | -135.1 | 127.4 | 141 | -58 | -177.8 | 0 | 0 | 0 | 107.1 | ||||
| 20 | P | 38 | Very low | 32.8 | Very low | 106 Ų | 106 | 150.7 Ų | 150.7 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | trans | -79.3 | 154.2 | -174 | 30.4 | -34.8 | 0 | 0 | 0 | 114.6 | E22 | P20-E22 PolarHBondContact O-N 3.39Š| ||
| 21 | E | 38.4 | Very low | 32.8 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | G | 310 helix | trans | -69.7 | -8.7 | -164.9 | -69.1 | -170.4 | 120.1 | 0 | 0 | 117.6 | E23 L24 | E21-E23 VanDerWaalsContact C-N 3.34Å; E21-E23 PolarHBondContact O-N 3.2Å; E21-L24 PolarHBondContact O-N 3.09Å |
| 22 | E | 39.9 | Very low | 32.7 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -71.4 | -19.5 | -169.1 | -70.9 | -166.5 | 133.8 | 0 | 0 | 115.4 | P20 | P20-E22 PolarHBondContact O-N 3.39Š|
| 23 | E | 39.7 | Very low | 32.6 | Very low | 127 Ų | 127 | 143.9 Ų | 143.9 | 59% | 0.593 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -82.6 | -18.3 | 179 | -79.1 | -73.6 | 106.5 | 0 | 0 | 113.4 | E21 Q25 K26 | E21-E23 VanDerWaalsContact C-N 3.34Å; E21-E23 PolarHBondContact O-N 3.2Å; E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 2.75Å; E23-K26 IonicContact OE1-NZ 3.88Å; E23-K26 PolarHBondContact OE1-NZ 3.41Å |
| 24 | L | 40.7 | Very low | 32.6 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -23.4 | -175.6 | -148 | 80.4 | 0 | 0 | 0 | 113.2 | E21 | E21-L24 PolarHBondContact O-N 3.09Š|
| 25 | Q | 33.6 | Very low | 32.4 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -15 | -173.8 | -69.4 | -171.4 | -7.7 | 0 | 0 | 114.9 | E23 | E23-Q25 VanDerWaalsContact C-N 3.3Å; E23-Q25 PolarHBondContact O-N 2.75Å |
| 26 | K | 33.4 | Very low | 32.3 | Very low | 147 Ų | 147 | 146.7 Ų | 146.7 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -14.1 | -179.6 | -69.7 | 176.7 | -165.1 | 149.3 | 0 | 114.5 | E23 | E23-K26 IonicContact OE1-NZ 3.88Å; E23-K26 PolarHBondContact OE1-NZ 3.41Å |
| 27 | I | 33.5 | Very low | 32.1 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -11.3 | -175.8 | -58.6 | 177.2 | 0 | 0 | 0 | 112 | ||
| 28 | S | 30.1 | Very low | 31.7 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -88.8 | -10.3 | -173.2 | -159.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 29 | S | 31.8 | Very low | 31.2 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -111.7 | 26.5 | -163.5 | 61.5 | 0 | 0 | 0 | 0 | 116.5 | ||
| 30 | L | 31.7 | Very low | 30.7 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | trans | -140.8 | 57.6 | 177.1 | -106.7 | 157.9 | 0 | 0 | 0 | 113.5 | ||||
| 31 | A | 25.1 | Very low | 30.1 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | trans | -114.8 | 115.1 | 164 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 32 | L | 27.3 | Very low | 29.4 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | 162.2 | 107.2 | 150.5 | -92.8 | 164.2 | 0 | 0 | 0 | 110.9 | ||||
| 33 | Y | 25.7 | Very low | 28.7 | Very low | 214 Ų | 214 | 141.3 Ų | 141.3 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | 178.2 | 135.2 | 104.7 | -111 | -84.5 | 0 | 0 | 0 | 111.9 | |||||
| 34 | N | 26 | Very low | 28 | Very low | 169 Ų | 169 | 145 Ų | 145 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | trans | -83.2 | 148.8 | 171.3 | -85.9 | -30.4 | 0 | 0 | 0 | 111.3 | ||||
| 35 | G | 24.3 | Very low | 27.3 | Very low | 79 Ų | 79 | 142.2 Ų | 142.2 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | -160.9 | 104.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 36 | H | 27.8 | Very low | 27 | Very low | 209 Ų | 209 | 142.1 Ų | 142.1 | 97% | 0.968 | 80% | 0.804 | S | S | * | * | trans | -74.4 | 141.4 | 170 | -103.3 | -66.3 | 0 | 0 | 0 | 111 | ||||
| 37 | G | 23.8 | Very low | 26.7 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -157.4 | 140.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 38 | S | 23.2 | Very low | 26.4 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -126.3 | 165.1 | -168.2 | -170.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 39 | A | 25.5 | Very low | 26.1 | Very low | 80 Ų | 80 | 147.5 Ų | 147.5 | 66% | 0.661 | 82% | 0.818 | S | S | * | * | trans | 97.8 | 149.1 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 40 | N | 24.5 | Very low | 26 | Very low | 148 Ų | 148 | 151.9 Ų | 151.9 | 79% | 0.791 | 83% | 0.828 | S | S | * | * | trans | 72.5 | 104.5 | 169.6 | -56.7 | -24 | 0 | 0 | 0 | 116.2 | ||||
| 41 | V | 25.8 | Very low | 25.8 | Very low | 121 Ų | 121 | 153 Ų | 153 | 73% | 0.733 | 83% | 0.828 | S | S | * | * | 61 | 108.3 | 54.1 | -171.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 42 | K | 25.1 | Very low | 25.9 | Very low | 210 Ų | 210 | 152.2 Ų | 152.2 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | trans | -151.4 | 117.1 | 138.8 | -115.6 | 175.1 | -175.9 | 178.6 | 0 | 110.2 | ||||
| 43 | E | 24.1 | Very low | 25.9 | Very low | 170 Ų | 170 | 157 Ų | 157 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | -70.2 | 152.8 | 168.5 | -63.1 | 162.3 | 110.8 | 0 | 0 | 110.5 | ||||
| 44 | Q | 25.8 | Very low | 26 | Very low | 204 Ų | 204 | 157.8 Ų | 157.8 | 95% | 0.953 | 84% | 0.839 | S | S | * | * | trans | -131.7 | 135.9 | 142.8 | -95.7 | -175.1 | -18.2 | 0 | 0 | 108.7 | ||||
| 45 | S | 25.5 | Very low | 26.2 | Very low | 92 Ų | 92 | 160.5 Ų | 160.5 | 64% | 0.643 | 84% | 0.836 | S | S | * | * | trans | -118.4 | 140.4 | -159 | 55.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 46 | N | 26.5 | Very low | 27.2 | Very low | 162 Ų | 162 | 162.6 Ų | 162.6 | 87% | 0.866 | 84% | 0.835 | S | S | * | * | trans | 61.9 | 158.1 | 145.8 | -57.6 | -13.3 | 0 | 0 | 0 | 117.5 | ||||
| 47 | A | 27.3 | Very low | 27.2 | Very low | 77 Ų | 77 | 156.2 Ų | 156.2 | 64% | 0.636 | 83% | 0.826 | S | S | * | * | cis | -153.7 | 157.8 | 24 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 48 | E | 26.7 | Very low | 27.4 | Very low | 191 Ų | 191 | 156.8 Ų | 156.8 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | 59.7 | 121.9 | 138.1 | -71.6 | 167.6 | -173 | 0 | 0 | 123.5 | ||||
| 49 | R | 25.4 | Very low | 27.6 | Very low | 253 Ų | 253 | 156.5 Ų | 156.5 | 96% | 0.955 | 82% | 0.821 | S | S | * | * | -158.1 | 143.2 | 106.6 | -143.1 | 171.6 | -176.2 | 176.6 | 0.1 | 113 | |||||
| 50 | E | 28.2 | Very low | 27.7 | Very low | 186 Ų | 186 | 158.9 Ų | 158.9 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | trans | -87.8 | 151.9 | 177.9 | -67.7 | -175.9 | 105.7 | 0 | 0 | 114.2 | ||||
| 51 | E | 27.7 | Very low | 27.8 | Very low | 200 Ų | 200 | 157.9 Ų | 157.9 | 94% | 0.935 | 83% | 0.826 | S | S | * | * | 167.9 | 144.9 | 129.4 | -93.6 | -174.6 | 155.5 | 0 | 0 | 109 | |||||
| 52 | G | 27 | Very low | 27.9 | Very low | 75 Ų | 75 | 158.2 Ų | 158.2 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | cis | 150.6 | 68.7 | -3.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 53 | R | 27.9 | Very low | 28.5 | Very low | 253 Ų | 253 | 154.3 Ų | 154.3 | 96% | 0.955 | 83% | 0.825 | S | S | * | * | trans | -151.1 | 144.9 | 165.6 | -138.7 | 168.6 | -178 | 167 | 1.2 | 117.4 | ||||
| 54 | R | 27.8 | Very low | 28.5 | Very low | 232 Ų | 232 | 149.5 Ų | 149.5 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | trans | -129.8 | 160.7 | -172.2 | -65.6 | 171.1 | -179.1 | 168.2 | 0.3 | 107.7 | ||||
| 55 | R | 30.7 | Very low | 28.6 | Very low | 226 Ų | 226 | 145.2 Ų | 145.2 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | cis | -159.5 | -141.8 | 5 | -125.2 | -178.9 | -180 | 179 | -0.6 | 106.6 | ||||
| 56 | P | 45.8 | Very low | 28.6 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | -128.1 | -177.5 | -81.1 | 41.1 | -24.6 | 0 | 0 | 0 | 115.2 | |||||
| 57 | G | 26.6 | Very low | 28.5 | Very low | 74 Ų | 74 | 142 Ų | 142 | 76% | 0.763 | 82% | 0.815 | S | S | * | * | trans | 139.1 | 87.5 | 159.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 58 | A | 28.3 | Very low | 28.5 | Very low | 91 Ų | 91 | 148 Ų | 148 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | 88.7 | 101.5 | 71.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 59 | S | 27.1 | Very low | 28.6 | Very low | 119 Ų | 119 | 151 Ų | 151 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | 61.7 | 149.4 | 127.2 | -51.6 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 60 | T | 28.1 | Very low | 28.7 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 80% | 0.798 | 83% | 0.825 | S | S | * | * | cis | -139.9 | -176.2 | 0.1 | 55.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 61 | V | 27.4 | Very low | 29 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 76% | 0.764 | 83% | 0.826 | S | S | * | * | cis | -152.1 | -176.1 | 7.7 | 85.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 62 | V | 26.7 | Very low | 29.2 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | -135.2 | 137.6 | 176.6 | 166.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 63 | P | 37.9 | Very low | 29.6 | Very low | 129 Ų | 129 | 141 Ų | 141 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | -148.2 | 169 | 93.1 | 36.8 | -17.9 | 0 | 0 | 0 | 113.9 | |||||
| 64 | G | 24.9 | Very low | 29.8 | Very low | 68 Ų | 68 | 139.2 Ų | 139.2 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | cis | 175.4 | 150.8 | -1.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 65 | S | 26.6 | Very low | 30.2 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | 179.5 | 173.6 | 62.2 | 50.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 66 | S | 25.2 | Very low | 30.4 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -9.9 | 141.5 | 164 | 52 | 0 | 0 | 0 | 0 | 120 | ||||
| 67 | G | 24.6 | Very low | 29.8 | Very low | 72 Ų | 72 | 128.8 Ų | 128.8 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | cis | 173.6 | -172.8 | 4.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 68 | Q | 27.7 | Very low | 30.6 | Very low | 202 Ų | 202 | 130.4 Ų | 130.4 | 94% | 0.944 | 79% | 0.785 | S | S | * | * | trans | 53 | 98.1 | 175.8 | -72.3 | -178.1 | -27 | 0 | 0 | 117.8 | ||||
| 69 | R | 28.7 | Very low | 31.1 | Very low | 254 Ų | 254 | 133.5 Ų | 133.5 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | trans | -109.5 | 117.4 | 150.7 | -87.7 | -173.7 | 174.5 | 178.6 | -1.3 | 109.6 | ||||
| 70 | G | 28.7 | Very low | 32 | Very low | 77 Ų | 77 | 133.7 Ų | 133.7 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -66.9 | 150.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S72 | G70-S72 PolarHBondContact O-N 3.15Š| ||
| 71 | M | 34.8 | Very low | 32.7 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 89% | 0.892 | 78% | 0.78 | S | S | * | * | trans | -74.7 | 117.6 | 177.3 | -65.4 | 163.9 | 66.3 | 0 | 0 | 109.8 | ||||
| 72 | S | 31.7 | Very low | 33.2 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -119.3 | 97.6 | 160.9 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | G70 Y74 | G70-S72 PolarHBondContact O-N 3.15Å; S72-Y74 VanDerWaalsContact C-N 3.31Å; S72-Y74 PolarHBondContact O-N 3.42Å | ||
| 73 | N | 35 | Very low | 34.1 | Very low | 147 Ų | 147 | 133.3 Ų | 133.3 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -95.3 | 53.8 | 179.8 | -116.9 | 5.2 | 0 | 0 | 0 | 110.5 | N75 | N73-N75 PolarHBondContact O-N 3.18Š| ||
| 74 | Y | 31.8 | Very low | 34.4 | Very low | 216 Ų | 216 | 132.6 Ų | 132.6 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | trans | -91.5 | 79.5 | 166.4 | -83.5 | -85 | 0 | 0 | 0 | 109.6 | S72 G76 | S72-Y74 VanDerWaalsContact C-N 3.31Å; S72-Y74 PolarHBondContact O-N 3.42Å; Y74-G76 PolarHBondContact O-N 3.06Å | ||
| 75 | N | 35.7 | Very low | 35.6 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 67% | 0.668 | 77% | 0.766 | S | S | * | * | trans | -82 | 39.3 | -179.1 | -145.7 | 8 | 0 | 0 | 0 | 112.2 | N73 K77 | N73-N75 PolarHBondContact O-N 3.18Å; N75-K77 PolarHBondContact O-N 3.46Å; N75-K77 WeakPolarHBondContact OD1-CE 3.36Å | ||
| 76 | G | 34.3 | Very low | 37.1 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -76.5 | 60.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | Y74 V78 | Y74-G76 PolarHBondContact O-N 3.06Å; G76-V78 PolarHBondContact O-N 3.09Å | ||
| 77 | K | 33.5 | Very low | 39 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | trans | -70.7 | 81 | 176.2 | -72.7 | -175.2 | -179.3 | -179.6 | 0 | 110.5 | N75 L79 | N75-K77 PolarHBondContact O-N 3.46Å; N75-K77 WeakPolarHBondContact OD1-CE 3.36Å; K77-L79 PolarHBondContact O-N 2.84Å; K77-L79 VanDerWaalsContact O-N 3.15Å | ||
| 78 | V | 42.9 | Very low | 41.5 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 66% | 0.655 | 73% | 0.727 | S | S | * | * | trans | -55.9 | 117.9 | 151 | 179.6 | 0 | 0 | 0 | 0 | 105.9 | G76 T80 | G76-V78 PolarHBondContact O-N 3.09Å; V78-T80 VanDerWaalsContact C-N 3.35Å; V78-T80 PolarHBondContact O-N 3Å | ||
| 79 | L | 40.2 | Very low | 44.6 | Very low | 155 Ų | 155 | 125.1 Ų | 125.1 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | trans | -65.2 | 94.9 | 179.6 | -80 | 154.7 | 0 | 0 | 0 | 109.1 | K77 R81 | K77-L79 PolarHBondContact O-N 2.84Å; K77-L79 VanDerWaalsContact O-N 3.15Å; L79-R81 PolarHBondContact O-N 2.78Å | ||
| 80 | T | 45.6 | Very low | 47.6 | Very low | 124 Ų | 124 | 115.4 Ų | 115.4 | 76% | 0.761 | 65% | 0.654 | S | S | * | * | trans | -64.6 | 79.9 | 157.6 | 52.5 | 0 | 0 | 0 | 0 | 107.4 | V78 | V78-T80 VanDerWaalsContact C-N 3.35Å; V78-T80 PolarHBondContact O-N 3Å | ||
| 81 | R | 43.3 | Very low | 50.7 | Low | 186 Ų | 186 | 112 Ų | 112 | 70% | 0.702 | 62% | 0.617 | S | S | * | * | trans | -62.3 | 141 | -177.5 | -154.5 | 168 | -179.5 | -170 | -6.8 | 108.2 | L79 | L79-R81 PolarHBondContact O-N 2.78Š| ||
| 82 | G | 37.5 | Very low | 53.5 | Low | 48 Ų | 48 | 107.7 Ų | 107.7 | 50% | 0.495 | 59% | 0.594 | S | S | . | * | trans | -57.3 | 157.3 | -161.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S84 Q85 | G82-S84 PolarHBondContact O-N 3.47Å; G82-Q85 PolarHBondContact O-N 2.73Å; G82-Q85 VanDerWaalsContact O-N 3.13Å | ||
| 83 | S | 46.2 | Very low | 56.4 | Low | 141 Ų | 141 | 106.5 Ų | 106.5 | 99% | 0.986 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.2 | 7.3 | -174.1 | -167.7 | 0 | 0 | 0 | 0 | 119 | ||
| 84 | S | 44.1 | Very low | 59 | Low | 114 Ų | 114 | 104.4 Ų | 104.4 | 80% | 0.797 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.4 | 1.2 | 178.8 | 66.9 | 0 | 0 | 0 | 0 | 114.4 | G82 | G82-S84 PolarHBondContact O-N 3.47Š|
| 85 | Q | 49 | Very low | 61.7 | Low | 109 Ų | 109 | 94.4 Ų | 94.4 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -103 | 104.4 | 172.3 | -69.7 | -155.4 | -18.1 | 0 | 0 | 111.4 | G82 R87 | G82-Q85 PolarHBondContact O-N 2.73Å; G82-Q85 VanDerWaalsContact O-N 3.13Å; Q85-R87 PolarHBondContact O-N 3.17Å |
| 86 | V | 58.4 | Low | 64.2 | Low | 100 Ų | 100 | 93.4 Ų | 93.4 | 61% | 0.606 | 52% | 0.519 | S | S | * | . | trans | -46 | 124.8 | 169.8 | 178 | 0 | 0 | 0 | 0 | 110.4 | R385 | V86-R385 VanDerWaalsContact CG1-CZ 3.49Š| ||
| 87 | R | 64.8 | Low | 66.9 | Low | 75 Ų | 75 | 93.5 Ų | 93.5 | 28% | 0.283 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 141.7 | -176.2 | -176.7 | 172.1 | -179.2 | 156.2 | 7.6 | 112.1 | Q85 S301 P311 D358 | Q85-R87 PolarHBondContact O-N 3.17Å; R87-S301 PolarHBondContact NH1-OG 2.95Å; R87-P311 PolarHBondContact NH2-O 3.27Å; R87-D358 WeakPolarHBondContact CB-OD1 3.46Å; R87-D358 WeakPolarHBondContact CB-OD2 3.36Å; R87-D358 WeakPolarHBondContact CD-OD2 2.88Å; R87-D358 IonicContact NH1-OD2 2.68Å |
| 88 | S | 78.5 | Confident | 69.6 | Low | 92 Ų | 92 | 88.9 Ų | 88.9 | 64% | 0.643 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 130.5 | 173.8 | -158.8 | 0 | 0 | 0 | 0 | 109.7 | N98 | S88-N98 PolarHBondContact OG-ND2 3.21Š|
| 89 | R | 91.3 | Very high | 71.7 | Confident | 39 Ų | 39 | 86.7 Ų | 86.7 | 15% | 0.147 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 137.1 | -179.9 | -171.6 | -169.9 | -66.9 | -105.7 | 5.5 | 111.7 | V91 N98 E360 S381 L383 E386 | R89-V91 WeakPolarHBondContact CD-O 3.32Å; R89-V91 WeakPolarHBondContact CG-O 3.42Å; R89-N98 VanDerWaalsContact O-CB 3.25Å; R89-N98 WeakPolarHBondContact O-CB 3.13Å; R89-N98 PolarHBondContact O-ND2 2.94Å; R89-E360 VanDerWaalsContact CA-OE2 3.31Å; R89-E360 WeakPolarHBondContact CA-OE2 3.35Å; R89-E360 WeakPolarHBondContact CG-OE1 3.3Å; R89-E360 VanDerWaalsContact CG-OE2 3.23Å; R89-E360 WeakPolarHBondContact CG-OE2 3.25Å; R89-S381 WeakPolarHBondContact CD-OG 3.38Å; R89-S381 PolarHBondContact NH1-O 3.4Å; R89-S381 PolarHBondContact NH1-OG 2.9Å; R89-L383 HydrophobicContact CB-CD1 4.43Å; R89-L383 HydrophobicContact CB-CD2 4.36Å; R89-L383 HydrophobicContact CG-CD2 4.17Å; R89-L383 HydrophobicContact CG-CG 4.5Å; R89-E386 IonicContact CZ-OE1 3.96Å; R89-E386 IonicContact CZ-OE2 3.62Å; R89-E386 IonicContact NH1-OE2 3.77Å; R89-E386 PolarHBondContact NH1-OE2 3.44Å; R89-E386 IonicContact NH2-OE1 3.56Å; R89-E386 PolarHBondContact NH2-OE1 3.48Å; R89-E386 IonicContact NH2-OE2 2.78Å; R89-E386 PolarHBondContact NH2-OE2 3.23Å |
| 90 | F | 92.4 | Very high | 73.8 | Confident | 51 Ų | 51 | 85.3 Ų | 85.3 | 22% | 0.224 | 48% | 0.476 | C | S | . | . | S | Bend | trans | -77 | -43.1 | 178.2 | -175.3 | -112 | 0 | 0 | 0 | 112.8 | C97 N98 V99 I299 L312 E360 | F90-C97 CarbonylContact O-C 3.56Å; F90-C97 WeakPolarHBondContact O-CA 3.46Å; F90-N98 WeakPolarHBondContact O-CB 3.46Å; F90-N98 PolarHBondContact O-N 3.34Å; F90-V99 HydrophobicContact CD2-CG2 3.93Å; F90-V99 HydrophobicContact CE2-CG2 3.32Å; F90-V99 HydrophobicContact CZ-CG2 3.94Å; F90-I299 HydrophobicContact CD1-CD1 3.53Å; F90-I299 HydrophobicContact CE1-CD1 4Å; F90-I299 HydrophobicContact CG-CD1 4.4Å; F90-L312 HydrophobicContact CD2-CD1 3.86Å; F90-L312 HydrophobicContact CE2-CD1 3.87Å; F90-E360 PolarHBondContact N-OE2 2.9Å |
| 91 | V | 94.6 | Very high | 75.5 | Confident | 4 Ų | 4 | 86.2 Ų | 86.2 | 2% | 0.024 | 47% | 0.469 | C | S | . | . | B | Isolated β-bridge | trans | -122.7 | 113.3 | 175.1 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | R89 E360 V362 R379 S381 | R89-V91 WeakPolarHBondContact CD-O 3.32Å; R89-V91 WeakPolarHBondContact CG-O 3.42Å; V91-E360 PolarHBondContact N-OE1 2.85Å; V91-V362 HydrophobicContact CB-CG1 4.43Å; V91-V362 HydrophobicContact CB-CG2 4.08Å; V91-V362 HydrophobicContact CG2-CG1 4.11Å; V91-V362 HydrophobicContact CG2-CG2 3.86Å; V91-R379 HydrophobicContact CG1-CB 4.15Å; V91-S381 PolarHBondContact O-OG 3.15Å |
| 92 | K | 93.1 | Very high | 77.3 | Confident | 92 Ų | 92 | 83 Ų | 83 | 40% | 0.4 | 47% | 0.47 | S | S | . | . | trans | -57.5 | 154.7 | 177.2 | -67.5 | 179.5 | -172.3 | 173 | 0 | 112 | N94 G95 Q96 | K92-N94 WeakPolarHBondContact CB-OD1 3.09Å; K92-N94 PolarHBondContact O-N 3.39Å; K92-G95 WeakPolarHBondContact O-CA 3.44Å; K92-G95 PolarHBondContact O-N 3.32Å; K92-Q96 HydrophobicContact CB-CB 4.37Å; K92-Q96 WeakPolarHBondContact CB-O 3.42Å; K92-Q96 HydrophobicContact CD-CB 4.28Å; K92-Q96 PolarHBondContact N-O 3.17Å | ||
| 93 | K | 92.1 | Very high | 79.1 | Confident | 73 Ų | 73 | 87.3 Ų | 87.3 | 32% | 0.317 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -18.8 | 174.4 | -73.2 | -74.1 | -174.6 | -168.9 | 0 | 115 | K264 S380 S381 Y382 E386 | K93-K264 WeakPolarHBondContact CE-O 3.04Å; K93-K264 PolarHBondContact NZ-O 2.86Å; K93-S380 PolarHBondContact O-OG 3.36Å; K93-S381 WeakPolarHBondContact CD-O 3.27Å; K93-S381 VanDerWaalsContact CE-O 3.23Å; K93-S381 WeakPolarHBondContact CE-O 3.47Å; K93-S381 PolarHBondContact NZ-O 2.84Å; K93-Y382 VanDerWaalsContact NZ-CD1 3.26Å; K93-E386 WeakPolarHBondContact CE-OE1 3.47Å; K93-E386 WeakPolarHBondContact CE-OE2 3.25Å; K93-E386 VanDerWaalsContact NZ-CD 3.31Å; K93-E386 IonicContact NZ-OE1 2.62Å; K93-E386 IonicContact NZ-OE2 3.6Å; K93-E386 PolarHBondContact NZ-OE2 3.49Å |
| 94 | N | 88.9 | Confident | 80.3 | Confident | 102 Ų | 102 | 84.6 Ų | 84.6 | 55% | 0.545 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 9.8 | 175.2 | 69.1 | -6.9 | 0 | 0 | 0 | 113.7 | K92 Q96 | K92-N94 WeakPolarHBondContact CB-OD1 3.09Å; K92-N94 PolarHBondContact O-N 3.39Å; N94-Q96 VanDerWaalsContact C-N 3.34Å; N94-Q96 VanDerWaalsContact ND2-CD 3.3Å; N94-Q96 PolarHBondContact ND2-OE1 2.72Å; N94-Q96 PolarHBondContact O-N 2.86Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.37Å; N94-Q96 WeakPolarHBondContact OD1-CG 3.47Å; N94-Q96 PolarHBondContact OD1-N 2.89Å; N94-Q96 VanDerWaalsContact OD1-N 3.16Å |
| 95 | G | 88.9 | Confident | 81.1 | Confident | 6 Ų | 6 | 86 Ų | 86 | 6% | 0.062 | 45% | 0.449 | C | S | . | . | S | Bend | trans | 79.3 | 4.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | K92 R379 | K92-G95 WeakPolarHBondContact O-CA 3.44Å; K92-G95 PolarHBondContact O-N 3.32Å; G95-R379 WeakPolarHBondContact CA-O 3.33Å; G95-R379 PolarHBondContact N-O 3.29Å; G95-R379 PolarHBondContact O-NE 2.75Å; G95-R379 PolarHBondContact O-NH2 2.85Å |
| 96 | Q | 89 | Confident | 81.9 | Confident | 105 Ų | 105 | 85 Ų | 85 | 49% | 0.491 | 45% | 0.447 | S | S | . | . | trans | -78.7 | 121.4 | 175.8 | -68.4 | 178.3 | -25.8 | 0 | 0 | 111.4 | K92 N94 | K92-Q96 HydrophobicContact CB-CB 4.37Å; K92-Q96 WeakPolarHBondContact CB-O 3.42Å; K92-Q96 HydrophobicContact CD-CB 4.28Å; K92-Q96 PolarHBondContact N-O 3.17Å; N94-Q96 VanDerWaalsContact C-N 3.34Å; N94-Q96 VanDerWaalsContact ND2-CD 3.3Å; N94-Q96 PolarHBondContact ND2-OE1 2.72Å; N94-Q96 PolarHBondContact O-N 2.86Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.37Å; N94-Q96 WeakPolarHBondContact OD1-CG 3.47Å; N94-Q96 PolarHBondContact OD1-N 2.89Å; N94-Q96 VanDerWaalsContact OD1-N 3.16Å | ||
| 97 | C | 90.6 | Very high | 82.3 | Confident | 69 Ų | 69 | 85.9 Ų | 85.9 | 47% | 0.466 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -70.5 | 133.7 | 173 | -52.1 | 0 | 0 | 0 | 0 | 110.6 | F90 V99 | F90-C97 CarbonylContact O-C 3.56Å; F90-C97 WeakPolarHBondContact O-CA 3.46Å; C97-V99 VanDerWaalsContact C-N 3.32Å; C97-V99 HydrophobicContact CB-CG2 4.47Å; C97-V99 PolarHBondContact O-N 2.98Å |
| 98 | N | 89.9 | Confident | 82.3 | Confident | 74 Ų | 74 | 86.2 Ų | 86.2 | 40% | 0.396 | 45% | 0.454 | S | S | . | . | trans | -95.1 | 55.8 | -177.4 | -169.8 | 32.3 | 0 | 0 | 0 | 110.5 | S88 R89 F90 | S88-N98 PolarHBondContact OG-ND2 3.21Å; R89-N98 VanDerWaalsContact O-CB 3.25Å; R89-N98 WeakPolarHBondContact O-CB 3.13Å; R89-N98 PolarHBondContact O-ND2 2.94Å; F90-N98 WeakPolarHBondContact O-CB 3.46Å; F90-N98 PolarHBondContact O-N 3.34Å | ||
| 99 | V | 87.8 | Confident | 81.8 | Confident | 62 Ų | 62 | 88.1 Ų | 88.1 | 38% | 0.376 | 45% | 0.452 | S | S | . | . | trans | -124.5 | 133.1 | -174.2 | -177 | 0 | 0 | 0 | 0 | 109.6 | F90 C97 F101 | F90-V99 HydrophobicContact CD2-CG2 3.93Å; F90-V99 HydrophobicContact CE2-CG2 3.32Å; F90-V99 HydrophobicContact CZ-CG2 3.94Å; C97-V99 VanDerWaalsContact C-N 3.32Å; C97-V99 HydrophobicContact CB-CG2 4.47Å; C97-V99 PolarHBondContact O-N 2.98Å; V99-F101 HydrophobicContact CG1-CD1 4.42Å; V99-F101 HydrophobicContact CG1-CE1 4.08Å; V99-F101 HydrophobicContact CG1-CE2 4.31Å; V99-F101 HydrophobicContact CG1-CZ 4.02Å | ||
| 100 | V | 84.7 | Confident | 81 | Confident | 125 Ų | 125 | 94.6 Ų | 94.6 | 76% | 0.758 | 48% | 0.477 | S | S | * | . | trans | -118.5 | 110.7 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | T102 | V100-T102 HydrophobicContact CG1-CG2 4.28Š| ||
| 101 | F | 80.9 | Confident | 80.2 | Confident | 144 Ų | 144 | 97.7 Ų | 97.7 | 63% | 0.632 | 49% | 0.488 | S | S | * | . | trans | -76 | 124.5 | 174.3 | -57.2 | -79.1 | 0 | 0 | 0 | 110 | V99 M104 | V99-F101 HydrophobicContact CG1-CD1 4.42Å; V99-F101 HydrophobicContact CG1-CE1 4.08Å; V99-F101 HydrophobicContact CG1-CE2 4.31Å; V99-F101 HydrophobicContact CG1-CZ 4.02Å; F101-M104 HydrophobicContact CB-CE 3.38Å; F101-M104 HydrophobicContact CB-SD 3.85Å; F101-M104 HydrophobicContact CG-CE 4.26Å; F101-M104 HydrophobicContact CG-SD 4.41Å | ||
| 102 | T | 81.3 | Confident | 79.2 | Confident | 117 Ų | 117 | 103.4 Ų | 103.4 | 72% | 0.718 | 52% | 0.518 | S | S | * | . | trans | -119.1 | 162.5 | 177.3 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | V100 M104 | V100-T102 HydrophobicContact CG1-CG2 4.28Å; T102-M104 VanDerWaalsContact C-N 3.3Å; T102-M104 PolarHBondContact O-N 3.33Å | ||
| 103 | N | 75.4 | Confident | 78.5 | Confident | 139 Ų | 139 | 103.4 Ų | 103.4 | 74% | 0.743 | 54% | 0.535 | S | S | * | . | trans | 51.4 | 39.3 | 179.9 | -148.4 | 65.2 | 0 | 0 | 0 | 116 | E105 | N103-E105 PolarHBondContact O-N 3.28Š| ||
| 104 | M | 70.9 | Confident | 78.1 | Confident | 84 Ų | 84 | 103.3 Ų | 103.3 | 41% | 0.414 | 54% | 0.538 | S | S | . | . | trans | -86.4 | 92.8 | 166.8 | -68.1 | -175.8 | -62.6 | 0 | 0 | 109.3 | F101 T102 R107 | F101-M104 HydrophobicContact CB-CE 3.38Å; F101-M104 HydrophobicContact CB-SD 3.85Å; F101-M104 HydrophobicContact CG-CE 4.26Å; F101-M104 HydrophobicContact CG-SD 4.41Å; T102-M104 VanDerWaalsContact C-N 3.3Å; T102-M104 PolarHBondContact O-N 3.33Å; M104-R107 HydrophobicContact CB-CB 4.28Å; M104-R107 HydrophobicContact CE-CG 4.47Å; M104-R107 WeakPolarHBondContact O-CB 3.25Å | ||
| 105 | E | 61.6 | Low | 77.9 | Confident | 143 Ų | 143 | 103.1 Ų | 103.1 | 67% | 0.668 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 150.3 | 165.4 | -68.6 | 166.3 | -165.7 | 0 | 0 | 109.5 | N103 R107 | N103-E105 PolarHBondContact O-N 3.28Å; E105-R107 PolarHBondContact O-N 3.36Å; E105-R107 VanDerWaalsContact O-N 3.14Å |
| 106 | D | 65.5 | Low | 77.8 | Confident | 89 Ų | 89 | 107.4 Ų | 107.4 | 48% | 0.476 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 60.4 | 12.3 | -174.2 | -49.4 | -34.5 | 0 | 0 | 0 | 118.1 | S108 Q109 R110 | D106-S108 VanDerWaalsContact C-N 3.28Å; D106-S108 PolarHBondContact O-N 3.17Å; D106-S108 VanDerWaalsContact O-N 3.15Å; D106-Q109 PolarHBondContact O-N 3.46Å; D106-Q109 VanDerWaalsContact O-N 3.14Å; D106-R110 PolarHBondContact O-N 3.21Å; D106-R110 VanDerWaalsContact O-N 3.16Å |
| 107 | R | 65.8 | Low | 77.7 | Confident | 118 Ų | 118 | 105 Ų | 105 | 45% | 0.445 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -51.9 | -40.8 | -178.1 | -172.5 | 178.3 | -167.7 | -168 | -6.3 | 114.3 | M104 E105 Y111 | M104-R107 HydrophobicContact CB-CB 4.28Å; M104-R107 HydrophobicContact CE-CG 4.47Å; M104-R107 WeakPolarHBondContact O-CB 3.25Å; E105-R107 PolarHBondContact O-N 3.36Å; E105-R107 VanDerWaalsContact O-N 3.14Å; R107-Y111 HydrophobicContact CG-CD2 3.99Å; R107-Y111 HydrophobicContact CG-CE2 3.52Å; R107-Y111 PolarHBondContact NE-OH 2.91Å; R107-Y111 PolarHBondContact NH2-OH 2.91Å; R107-Y111 VanDerWaalsContact NH2-OH 3.12Å; R107-Y111 WeakPolarHBondContact O-CD2 3.5Å; R107-Y111 PolarHBondContact O-N 3.44Å |
| 108 | S | 64.4 | Low | 77.6 | Confident | 83 Ų | 83 | 103.6 Ų | 103.6 | 58% | 0.58 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.2 | -40.8 | -179.6 | 49.5 | 0 | 0 | 0 | 0 | 112.8 | D106 Y111 L112 | D106-S108 VanDerWaalsContact C-N 3.28Å; D106-S108 PolarHBondContact O-N 3.17Å; D106-S108 VanDerWaalsContact O-N 3.15Å; S108-Y111 PolarHBondContact O-N 3.46Å; S108-L112 WeakPolarHBondContact O-CG 3.47Å; S108-L112 PolarHBondContact O-N 2.83Å; S108-L112 VanDerWaalsContact O-N 3.1Å |
| 109 | Q | 69.2 | Low | 77.6 | Confident | 132 Ų | 132 | 100.6 Ų | 100.6 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -40.1 | 179.4 | -65.5 | -176.1 | -0.3 | 0 | 0 | 111.3 | D106 L112 A113 | D106-Q109 PolarHBondContact O-N 3.46Å; D106-Q109 VanDerWaalsContact O-N 3.14Å; Q109-L112 PolarHBondContact O-N 3.09Å; Q109-A113 PolarHBondContact O-N 2.68Å |
| 110 | R | 74 | Confident | 77.7 | Confident | 174 Ų | 174 | 97.8 Ų | 97.8 | 66% | 0.657 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.6 | -38.1 | 177.9 | -62.9 | -177.7 | -166.7 | -164.9 | 4.5 | 113.1 | D106 D114 | D106-R110 PolarHBondContact O-N 3.21Å; D106-R110 VanDerWaalsContact O-N 3.16Å; R110-D114 PolarHBondContact O-N 2.95Å |
| 111 | Y | 74.8 | Confident | 77.8 | Confident | 116 Ų | 116 | 95.4 Ų | 95.4 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.2 | -29 | 173.1 | -70.6 | -53.8 | 0 | 0 | 0 | 113.4 | R107 S108 D114 T118 | R107-Y111 HydrophobicContact CG-CD2 3.99Å; R107-Y111 HydrophobicContact CG-CE2 3.52Å; R107-Y111 PolarHBondContact NE-OH 2.91Å; R107-Y111 PolarHBondContact NH2-OH 2.91Å; R107-Y111 VanDerWaalsContact NH2-OH 3.12Å; R107-Y111 WeakPolarHBondContact O-CD2 3.5Å; R107-Y111 PolarHBondContact O-N 3.44Å; S108-Y111 PolarHBondContact O-N 3.46Å; Y111-D114 CarbonylContact O-C 3.56Å; Y111-D114 VanDerWaalsContact O-C 3.24Å; Y111-T118 PolarHBondContact O-OG1 3.23Å; Y111-T118 VanDerWaalsContact O-OG1 3.09Å |
| 112 | L | 73.5 | Confident | 78.3 | Confident | 125 Ų | 125 | 90.8 Ų | 90.8 | 65% | 0.654 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -75.5 | -32 | 175.5 | -72.1 | 172.4 | 0 | 0 | 0 | 112.6 | S108 Q109 D114 | S108-L112 WeakPolarHBondContact O-CG 3.47Å; S108-L112 PolarHBondContact O-N 2.83Å; S108-L112 VanDerWaalsContact O-N 3.1Å; Q109-L112 PolarHBondContact O-N 3.09Å; L112-D114 VanDerWaalsContact C-N 3.25Å; L112-D114 PolarHBondContact O-N 2.72Å |
| 113 | A | 79.1 | Confident | 78.8 | Confident | 92 Ų | 92 | 92 Ų | 92 | 76% | 0.76 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63 | -32.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q109 | Q109-A113 PolarHBondContact O-N 2.68Å |
| 114 | D | 84.7 | Confident | 79.5 | Confident | 71 Ų | 71 | 90.9 Ų | 90.9 | 38% | 0.38 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | 67.3 | 172.1 | -171.5 | 1.9 | 0 | 0 | 0 | 111.5 | R110 Y111 L112 F116 T117 T118 | R110-D114 PolarHBondContact O-N 2.95Å; Y111-D114 CarbonylContact O-C 3.56Å; Y111-D114 VanDerWaalsContact O-C 3.24Å; L112-D114 VanDerWaalsContact C-N 3.25Å; L112-D114 PolarHBondContact O-N 2.72Å; D114-F116 PolarHBondContact O-N 3.1Å; D114-T117 WeakPolarHBondContact OD1-CG2 2.98Å; D114-T117 PolarHBondContact OD1-N 2.92Å; D114-T117 PolarHBondContact OD1-OG1 3.26Å; D114-T117 WeakPolarHBondContact OD2-CB 3.44Å; D114-T117 WeakPolarHBondContact OD2-CG2 3.47Å; D114-T117 PolarHBondContact OD2-OG1 3.49Å; D114-T118 WeakPolarHBondContact O-CB 3.48Å; D114-T118 PolarHBondContact O-N 3.23Å; D114-T118 PolarHBondContact O-OG1 3.41Å |
| 115 | I | 85 | Confident | 80.7 | Confident | 97 Ų | 97 | 97.3 Ų | 97.3 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.1 | -29.8 | 179.5 | -162.6 | 167 | 0 | 0 | 0 | 112.4 | C119 | I115-C119 WeakPolarHBondContact O-CB 3.27Å; I115-C119 PolarHBondContact O-N 2.98Å; I115-C119 PolarHBondContact O-SG 3.09Å |
| 116 | F | 86.7 | Confident | 82.2 | Confident | 96 Ų | 96 | 97.3 Ų | 97.3 | 42% | 0.421 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.3 | -51.4 | -178.2 | -179.7 | -103.3 | 0 | 0 | 0 | 111.7 | D114 T118 C119 V120 F241 A248 | D114-F116 PolarHBondContact O-N 3.1Å; F116-T118 VanDerWaalsContact C-N 3.26Å; F116-T118 PolarHBondContact O-N 3.43Å; F116-C119 PolarHBondContact O-N 3.46Å; F116-V120 HydrophobicContact CD2-CG2 4.41Å; F116-V120 HydrophobicContact CE1-CG2 4.17Å; F116-V120 HydrophobicContact CE2-CG2 4.04Å; F116-V120 HydrophobicContact CZ-CG2 3.92Å; F116-V120 WeakPolarHBondContact O-CG2 3.28Å; F116-V120 PolarHBondContact O-N 3.07Å; F116-F241 HydrophobicContact CD2-CE2 4.32Å; F116-A248 HydrophobicContact CZ-CB 3.88Å |
| 117 | T | 86.9 | Confident | 83.5 | Confident | 54 Ų | 54 | 93 Ų | 93 | 33% | 0.331 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 177.1 | 67.1 | 0 | 0 | 0 | 0 | 110.8 | D114 C119 V120 D121 | D114-T117 WeakPolarHBondContact OD1-CG2 2.98Å; D114-T117 PolarHBondContact OD1-N 2.92Å; D114-T117 PolarHBondContact OD1-OG1 3.26Å; D114-T117 WeakPolarHBondContact OD2-CB 3.44Å; D114-T117 WeakPolarHBondContact OD2-CG2 3.47Å; D114-T117 PolarHBondContact OD2-OG1 3.49Å; T117-C119 PolarHBondContact O-N 3.14Å; T117-V120 CarbonylContact O-C 3.58Å; T117-V120 PolarHBondContact O-N 2.97Å; T117-V120 VanDerWaalsContact O-N 3.16Å; T117-D121 WeakPolarHBondContact O-CB 3.02Å; T117-D121 PolarHBondContact O-N 3.14Å |
| 118 | T | 88.1 | Confident | 84.9 | Confident | 41 Ų | 41 | 91.6 Ų | 91.6 | 25% | 0.252 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.2 | -51.4 | 174.7 | -60.7 | 0 | 0 | 0 | 0 | 111.9 | Y111 D114 F116 V120 D121 I122 | Y111-T118 PolarHBondContact O-OG1 3.23Å; Y111-T118 VanDerWaalsContact O-OG1 3.09Å; D114-T118 WeakPolarHBondContact O-CB 3.48Å; D114-T118 PolarHBondContact O-N 3.23Å; D114-T118 PolarHBondContact O-OG1 3.41Å; F116-T118 VanDerWaalsContact C-N 3.26Å; F116-T118 PolarHBondContact O-N 3.43Å; T118-V120 VanDerWaalsContact C-N 3.34Å; T118-V120 PolarHBondContact O-N 2.71Å; T118-D121 PolarHBondContact O-N 2.83Å; T118-I122 WeakPolarHBondContact O-CG2 3.4Å; T118-I122 PolarHBondContact O-N 2.77Å |
| 119 | C | 89.4 | Confident | 86.4 | Confident | 11 Ų | 11 | 92.5 Ų | 92.5 | 7% | 0.074 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -61 | -37.8 | 176.1 | -76.1 | 0 | 0 | 0 | 0 | 113.3 | I115 F116 T117 D121 I122 L127 T245 K249 | I115-C119 WeakPolarHBondContact O-CB 3.27Å; I115-C119 PolarHBondContact O-N 2.98Å; I115-C119 PolarHBondContact O-SG 3.09Å; F116-C119 PolarHBondContact O-N 3.46Å; T117-C119 PolarHBondContact O-N 3.14Å; C119-D121 VanDerWaalsContact C-N 3.35Å; C119-I122 VanDerWaalsContact O-CG1 3.22Å; C119-I122 WeakPolarHBondContact O-CG1 3.49Å; C119-L127 HydrophobicContact CB-CD1 4.16Å; C119-T245 HydrophobicContact CB-CG2 3.96Å; C119-K249 PolarHBondContact O-NZ 3.4Å |
| 120 | V | 89.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 89.9 Ų | 89.9 | 1% | 0.012 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -77.3 | -20.4 | 178.6 | -173.5 | 0 | 0 | 0 | 0 | 112 | F116 T117 T118 T245 A248 K249 R252 | F116-V120 HydrophobicContact CD2-CG2 4.41Å; F116-V120 HydrophobicContact CE1-CG2 4.17Å; F116-V120 HydrophobicContact CE2-CG2 4.04Å; F116-V120 HydrophobicContact CZ-CG2 3.92Å; F116-V120 WeakPolarHBondContact O-CG2 3.28Å; F116-V120 PolarHBondContact O-N 3.07Å; T117-V120 CarbonylContact O-C 3.58Å; T117-V120 PolarHBondContact O-N 2.97Å; T117-V120 VanDerWaalsContact O-N 3.16Å; T118-V120 VanDerWaalsContact C-N 3.34Å; T118-V120 PolarHBondContact O-N 2.71Å; V120-T245 HydrophobicContact CG2-CG2 3.91Å; V120-A248 HydrophobicContact CG1-CB 4.49Å; V120-A248 HydrophobicContact CG2-CB 4.22Å; V120-K249 HydrophobicContact CG1-CB 4.01Å; V120-K249 HydrophobicContact CG1-CG 4.35Å; V120-K249 PolarHBondContact O-NZ 2.86Å; V120-R252 HydrophobicContact CG1-CG 4.11Å |
| 121 | D | 87.9 | Confident | 88.5 | Confident | 75 Ų | 75 | 82 Ų | 82 | 40% | 0.401 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -93.9 | -29.1 | 179 | -88.8 | -62 | 0 | 0 | 0 | 116.4 | T117 T118 C119 R252 K254 | T117-D121 WeakPolarHBondContact O-CB 3.02Å; T117-D121 PolarHBondContact O-N 3.14Å; T118-D121 PolarHBondContact O-N 2.83Å; C119-D121 VanDerWaalsContact C-N 3.35Å; D121-R252 IonicContact OD1-CZ 3.77Å; D121-R252 IonicContact OD1-NH1 2.96Å; D121-R252 PolarHBondContact OD1-NH1 2.84Å; D121-R252 IonicContact OD2-CZ 3.64Å; D121-R252 IonicContact OD2-NH1 3.7Å; D121-R252 PolarHBondContact OD2-NH1 2.8Å; D121-R252 IonicContact OD2-NH2 3.7Å; D121-R252 PolarHBondContact OD2-NH2 2.96Å; D121-K254 IonicContact OD1-NZ 3.33Å; D121-K254 PolarHBondContact OD1-NZ 3.16Å |
| 122 | I | 90.1 | Very high | 89.5 | Confident | 47 Ų | 47 | 80.1 Ų | 80.1 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -57.3 | 161.5 | 175.4 | 54.8 | 171.7 | 0 | 0 | 0 | 113.4 | T118 C119 L127 I130 K249 | T118-I122 WeakPolarHBondContact O-CG2 3.4Å; T118-I122 PolarHBondContact O-N 2.77Å; C119-I122 VanDerWaalsContact O-CG1 3.22Å; C119-I122 WeakPolarHBondContact O-CG1 3.49Å; I122-L127 HydrophobicContact CD1-CB 4.06Å; I122-L127 HydrophobicContact CD1-CD1 4.28Å; I122-L127 HydrophobicContact CG1-CB 4.33Å; I122-I130 HydrophobicContact CD1-CD1 3.63Å; I122-K249 WeakPolarHBondContact O-CE 3.26Å; I122-K249 PolarHBondContact O-NZ 3.07Å |
| 123 | H | 91.1 | Very high | 90.6 | Very high | 144 Ų | 144 | 77 Ų | 77 | 67% | 0.667 | 39% | 0.389 | S | S | * | . | trans | -65.6 | 147.8 | 175.4 | -66.8 | -90.5 | 0 | 0 | 0 | 112.4 | R125 Y126 L127 | H123-R125 PolarHBondContact O-N 2.93Å; H123-R125 VanDerWaalsContact O-N 3.12Å; H123-Y126 HydrophobicContact CB-CD2 3.9Å; H123-Y126 HydrophobicContact CB-CE2 4.26Å; H123-Y126 PolarHBondContact O-N 2.87Å; H123-L127 PolarHBondContact O-N 3.18Å; H123-L127 VanDerWaalsContact O-N 3.16Å | ||
| 124 | W | 91.9 | Very high | 91.4 | Very high | 115 Ų | 115 | 74.8 Ų | 74.8 | 44% | 0.436 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -48 | -40.3 | 178.6 | -80.6 | 106 | 0 | 0 | 0 | 114.3 | Y126 L127 L128 I246 K249 M250 | W124-Y126 VanDerWaalsContact C-N 3.32Å; W124-Y126 PolarHBondContact O-N 3.42Å; W124-L127 HydrophobicContact CZ3-CD2 4.46Å; W124-L127 PolarHBondContact O-N 3.35Å; W124-L128 WeakPolarHBondContact O-CG 3.25Å; W124-L128 PolarHBondContact O-N 3.38Å; W124-I246 HydrophobicContact CH2-CG2 4.32Å; W124-I246 HydrophobicContact CZ3-CG2 4.4Å; W124-K249 HydrophobicContact CD2-CD 3.83Å; W124-K249 HydrophobicContact CE3-CD 3.91Å; W124-K249 HydrophobicContact CH2-CB 4.06Å; W124-K249 HydrophobicContact CH2-CD 3.69Å; W124-K249 HydrophobicContact CH2-CG 4Å; W124-K249 HydrophobicContact CZ2-CB 4.13Å; W124-K249 HydrophobicContact CZ2-CD 3.6Å; W124-K249 HydrophobicContact CZ2-CG 3.67Å; W124-K249 HydrophobicContact CZ3-CD 3.84Å; W124-M250 HydrophobicContact CH2-CG 3.79Å; W124-M250 HydrophobicContact CZ2-CG 4.07Å |
| 125 | R | 94.8 | Very high | 91.9 | Very high | 218 Ų | 218 | 72.9 Ų | 72.9 | 82% | 0.823 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.4 | -41.9 | 178.2 | -65.6 | -177.6 | 179.7 | 177.3 | -1.4 | 112.5 | H123 L129 | H123-R125 PolarHBondContact O-N 2.93Å; H123-R125 VanDerWaalsContact O-N 3.12Å; R125-L129 VanDerWaalsContact O-CB 3.25Å; R125-L129 WeakPolarHBondContact O-CB 3.26Å; R125-L129 PolarHBondContact O-N 3.42Å; R125-L129 VanDerWaalsContact O-N 3.11Å |
| 126 | Y | 93.8 | Very high | 92.4 | Very high | 143 Ų | 143 | 73.1 Ų | 73.1 | 56% | 0.561 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -74.7 | -37.9 | 178.3 | -59.5 | -61.8 | 0 | 0 | 0 | 111.8 | H123 W124 L129 I130 | H123-Y126 HydrophobicContact CB-CD2 3.9Å; H123-Y126 HydrophobicContact CB-CE2 4.26Å; H123-Y126 PolarHBondContact O-N 2.87Å; W124-Y126 VanDerWaalsContact C-N 3.32Å; W124-Y126 PolarHBondContact O-N 3.42Å; Y126-L129 PolarHBondContact O-N 3.49Å; Y126-I130 WeakPolarHBondContact O-CD1 3.34Å; Y126-I130 VanDerWaalsContact O-CG1 3.25Å; Y126-I130 WeakPolarHBondContact O-CG1 3.41Å; Y126-I130 PolarHBondContact O-N 3.08Å |
| 127 | L | 93.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 177.5 | -176.4 | 63.9 | 0 | 0 | 0 | 111.9 | C119 I122 H123 W124 L129 I130 F131 T245 K249 | C119-L127 HydrophobicContact CB-CD1 4.16Å; I122-L127 HydrophobicContact CD1-CB 4.06Å; I122-L127 HydrophobicContact CD1-CD1 4.28Å; I122-L127 HydrophobicContact CG1-CB 4.33Å; H123-L127 PolarHBondContact O-N 3.18Å; H123-L127 VanDerWaalsContact O-N 3.16Å; W124-L127 HydrophobicContact CZ3-CD2 4.46Å; W124-L127 PolarHBondContact O-N 3.35Å; L127-L129 VanDerWaalsContact C-N 3.32Å; L127-L129 PolarHBondContact O-N 2.88Å; L127-I130 PolarHBondContact O-N 2.96Å; L127-F131 HydrophobicContact CD1-CD2 4Å; L127-F131 HydrophobicContact CD1-CE2 3.4Å; L127-F131 HydrophobicContact CD1-CZ 4.11Å; L127-F131 HydrophobicContact CD2-CE2 4.19Å; L127-F131 HydrophobicContact CG-CD2 3.95Å; L127-F131 HydrophobicContact CG-CE2 3.64Å; L127-F131 VanDerWaalsContact O-CD2 3.27Å; L127-F131 WeakPolarHBondContact O-CD2 3.29Å; L127-F131 PolarHBondContact O-N 2.9Å; L127-F131 VanDerWaalsContact O-N 3.08Å; L127-T245 HydrophobicContact CD1-CG2 3.91Å; L127-T245 HydrophobicContact CD2-CG2 4.08Å; L127-K249 HydrophobicContact CD2-CD 3.42Å; L127-K249 VanDerWaalsContact CD2-CD 3.42Å |
| 128 | L | 94.1 | Very high | 93.4 | Very high | 87 Ų | 87 | 71 Ų | 71 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.1 | -41.7 | 176.2 | -67.2 | 173.3 | 0 | 0 | 0 | 111 | W124 I130 F131 C132 | W124-L128 WeakPolarHBondContact O-CG 3.25Å; W124-L128 PolarHBondContact O-N 3.38Å; L128-I130 PolarHBondContact O-N 3.44Å; L128-F131 PolarHBondContact O-N 3.39Å; L128-C132 WeakPolarHBondContact O-CB 3.32Å; L128-C132 PolarHBondContact O-N 3.2Å; L128-C132 PolarHBondContact O-SG 3.48Å |
| 129 | L | 95.3 | Very high | 93.9 | Very high | 103 Ų | 103 | 71.7 Ų | 71.7 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 175.8 | -175.3 | 148.9 | 0 | 0 | 0 | 112.2 | R125 Y126 L127 C132 T133 | R125-L129 VanDerWaalsContact O-CB 3.25Å; R125-L129 WeakPolarHBondContact O-CB 3.26Å; R125-L129 PolarHBondContact O-N 3.42Å; R125-L129 VanDerWaalsContact O-N 3.11Å; Y126-L129 PolarHBondContact O-N 3.49Å; L127-L129 VanDerWaalsContact C-N 3.32Å; L127-L129 PolarHBondContact O-N 2.88Å; L129-C132 PolarHBondContact O-N 2.92Å; L129-T133 HydrophobicContact CD2-CG2 4.19Å; L129-T133 WeakPolarHBondContact O-CG2 3.47Å; L129-T133 PolarHBondContact O-N 3.45Å; L129-T133 PolarHBondContact O-OG1 2.83Å |
| 130 | I | 93.9 | Very high | 94.2 | Very high | 76 Ų | 76 | 74.8 Ų | 74.8 | 39% | 0.39 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 176.3 | -72 | 162.6 | 0 | 0 | 0 | 111.3 | I122 Y126 L127 L128 T133 S134 | I122-I130 HydrophobicContact CD1-CD1 3.63Å; Y126-I130 WeakPolarHBondContact O-CD1 3.34Å; Y126-I130 VanDerWaalsContact O-CG1 3.25Å; Y126-I130 WeakPolarHBondContact O-CG1 3.41Å; Y126-I130 PolarHBondContact O-N 3.08Å; L127-I130 PolarHBondContact O-N 2.96Å; L128-I130 PolarHBondContact O-N 3.44Å; I130-T133 PolarHBondContact O-OG1 3.33Å; I130-T133 VanDerWaalsContact O-OG1 3.11Å; I130-S134 VanDerWaalsContact O-CB 3.3Å; I130-S134 WeakPolarHBondContact O-CB 3.43Å; I130-S134 PolarHBondContact O-N 3.37Å |
| 131 | F | 94.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 78.9 Ų | 78.9 | 4% | 0.044 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67.6 | -46.8 | 175.9 | -73.9 | -57.8 | 0 | 0 | 0 | 112.1 | L127 L128 T133 S134 F135 F241 M242 T245 I246 | L127-F131 HydrophobicContact CD1-CD2 4Å; L127-F131 HydrophobicContact CD1-CE2 3.4Å; L127-F131 HydrophobicContact CD1-CZ 4.11Å; L127-F131 HydrophobicContact CD2-CE2 4.19Å; L127-F131 HydrophobicContact CG-CD2 3.95Å; L127-F131 HydrophobicContact CG-CE2 3.64Å; L127-F131 VanDerWaalsContact O-CD2 3.27Å; L127-F131 WeakPolarHBondContact O-CD2 3.29Å; L127-F131 PolarHBondContact O-N 2.9Å; L127-F131 VanDerWaalsContact O-N 3.08Å; L128-F131 PolarHBondContact O-N 3.39Å; F131-T133 VanDerWaalsContact C-N 3.33Å; F131-T133 PolarHBondContact O-N 3.37Å; F131-S134 WeakPolarHBondContact O-CB 3.41Å; F131-S134 PolarHBondContact O-N 3.28Å; F131-S134 VanDerWaalsContact O-N 3.16Å; F131-F135 WeakPolarHBondContact O-CD2 3.33Å; F131-F135 PolarHBondContact O-N 2.96Å; F131-F241 AromaticContact CE1-CD1 3.85Å; F131-F241 HydrophobicContact CE1-CD1 3.85Å; F131-F241 HydrophobicContact CE1-CE1 4.32Å; F131-F241 HydrophobicContact CZ-CD1 4.18Å; F131-F241 HydrophobicContact CZ-CE1 4.36Å; F131-M242 HydrophobicContact CB-SD 4.47Å; F131-M242 HydrophobicContact CD1-CB 3.8Å; F131-M242 HydrophobicContact CD1-CG 3.99Å; F131-M242 HydrophobicContact CD2-CG 4.06Å; F131-M242 VanDerWaalsContact CE1-CA 3.46Å; F131-M242 HydrophobicContact CE1-CB 3.73Å; F131-M242 HydrophobicContact CE1-CG 4.21Å; F131-M242 HydrophobicContact CE2-CG 4.24Å; F131-M242 HydrophobicContact CG-CB 4.29Å; F131-M242 HydrophobicContact CG-CG 3.95Å; F131-M242 HydrophobicContact CG-SD 4.46Å; F131-M242 HydrophobicContact CZ-CB 4.15Å; F131-M242 HydrophobicContact CZ-CG 4.36Å; F131-T245 HydrophobicContact CE2-CG2 4.32Å; F131-T245 HydrophobicContact CZ-CG2 4.19Å; F131-I246 HydrophobicContact CE2-CG1 4.46Å |
| 132 | C | 95.4 | Very high | 95 | Very high | 76 Ų | 76 | 76.1 Ų | 76.1 | 51% | 0.514 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 176.1 | -68 | 0 | 0 | 0 | 0 | 112.3 | L128 L129 L136 | L128-C132 WeakPolarHBondContact O-CB 3.32Å; L128-C132 PolarHBondContact O-N 3.2Å; L128-C132 PolarHBondContact O-SG 3.48Å; L129-C132 PolarHBondContact O-N 2.92Å; C132-L136 WeakPolarHBondContact O-CB 3.38Å; C132-L136 VanDerWaalsContact O-CG 3.25Å; C132-L136 WeakPolarHBondContact O-CG 3.29Å; C132-L136 PolarHBondContact O-N 3.25Å |
| 133 | T | 95.8 | Very high | 95.3 | Very high | 59 Ų | 59 | 73.9 Ų | 73.9 | 36% | 0.362 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -69.3 | -37 | 176.3 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | L129 I130 F131 L136 I137 | L129-T133 HydrophobicContact CD2-CG2 4.19Å; L129-T133 WeakPolarHBondContact O-CG2 3.47Å; L129-T133 PolarHBondContact O-N 3.45Å; L129-T133 PolarHBondContact O-OG1 2.83Å; I130-T133 PolarHBondContact O-OG1 3.33Å; I130-T133 VanDerWaalsContact O-OG1 3.11Å; F131-T133 VanDerWaalsContact C-N 3.33Å; F131-T133 PolarHBondContact O-N 3.37Å; T133-L136 PolarHBondContact O-N 3.38Å; T133-I137 VanDerWaalsContact O-CB 3.31Å; T133-I137 WeakPolarHBondContact O-CB 3.41Å; T133-I137 WeakPolarHBondContact O-CD1 3.21Å; T133-I137 WeakPolarHBondContact O-CG1 3.34Å; T133-I137 PolarHBondContact O-N 2.99Å |
| 134 | S | 95.5 | Very high | 95.6 | Very high | 45 Ų | 45 | 70.8 Ų | 70.8 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58 | -49.3 | 173.6 | -171.4 | 0 | 0 | 0 | 0 | 112 | I130 F131 I137 S138 | I130-S134 VanDerWaalsContact O-CB 3.3Å; I130-S134 WeakPolarHBondContact O-CB 3.43Å; I130-S134 PolarHBondContact O-N 3.37Å; F131-S134 WeakPolarHBondContact O-CB 3.41Å; F131-S134 PolarHBondContact O-N 3.28Å; F131-S134 VanDerWaalsContact O-N 3.16Å; S134-I137 PolarHBondContact O-N 3.32Å; S134-S138 WeakPolarHBondContact O-CB 3.38Å; S134-S138 PolarHBondContact O-N 2.56Å; S134-S138 PolarHBondContact O-OG 2.88Å |
| 135 | F | 95.9 | Very high | 95.8 | Very high | 31 Ų | 31 | 68.2 Ų | 68.2 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.3 | -51.2 | 175.8 | -75.6 | -67.4 | 0 | 0 | 0 | 111.9 | F131 I137 S138 W139 I238 D239 M242 | F131-F135 WeakPolarHBondContact O-CD2 3.33Å; F131-F135 PolarHBondContact O-N 2.96Å; F135-I137 VanDerWaalsContact C-N 3.31Å; F135-I137 PolarHBondContact O-N 3.4Å; F135-S138 WeakPolarHBondContact CA-OG 3.49Å; F135-S138 PolarHBondContact O-N 2.78Å; F135-S138 VanDerWaalsContact O-N 3.15Å; F135-S138 PolarHBondContact O-OG 3.07Å; F135-W139 HydrophobicContact CB-CH2 4.29Å; F135-W139 HydrophobicContact CB-CZ2 3.94Å; F135-W139 HydrophobicContact CD1-CZ2 4.35Å; F135-W139 HydrophobicContact CG-CZ2 4.39Å; F135-W139 VanDerWaalsContact O-CG 3.26Å; F135-W139 PolarHBondContact O-N 3.28Å; F135-I238 HydrophobicContact CD1-CG2 4.09Å; F135-I238 HydrophobicContact CE1-CB 4.42Å; F135-I238 HydrophobicContact CE1-CG2 3.59Å; F135-I238 HydrophobicContact CE2-CG2 4.23Å; F135-I238 HydrophobicContact CZ-CG2 3.66Å; F135-D239 VanDerWaalsContact CE1-OD1 3.31Å; F135-D239 WeakPolarHBondContact CE1-OD1 3.34Å; F135-D239 WeakPolarHBondContact CZ-OD1 3.46Å; F135-M242 HydrophobicContact CE2-CE 4.19Å; F135-M242 HydrophobicContact CE2-SD 3.68Å; F135-M242 HydrophobicContact CZ-CE 4.04Å; F135-M242 HydrophobicContact CZ-SD 4.1Å |
| 136 | L | 96.2 | Very high | 95.8 | Very high | 102 Ų | 102 | 57.9 Ų | 57.9 | 53% | 0.534 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.8 | -41.6 | 179.1 | -71.4 | 169.5 | 0 | 0 | 0 | 112.6 | C132 T133 W139 L140 | C132-L136 WeakPolarHBondContact O-CB 3.38Å; C132-L136 VanDerWaalsContact O-CG 3.25Å; C132-L136 WeakPolarHBondContact O-CG 3.29Å; C132-L136 PolarHBondContact O-N 3.25Å; T133-L136 PolarHBondContact O-N 3.38Å; L136-W139 HydrophobicContact CD2-CE3 3.99Å; L136-W139 HydrophobicContact CD2-CZ3 3.97Å; L136-L140 VanDerWaalsContact O-CB 3.27Å; L136-L140 WeakPolarHBondContact O-CB 3.19Å; L136-L140 PolarHBondContact O-N 3.35Å |
| 137 | I | 97.3 | Very high | 95.9 | Very high | 96 Ų | 96 | 54.6 Ų | 54.6 | 49% | 0.492 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 176.9 | -70.9 | 165.4 | 0 | 0 | 0 | 110.6 | T133 S134 F135 L140 I141 | T133-I137 VanDerWaalsContact O-CB 3.31Å; T133-I137 WeakPolarHBondContact O-CB 3.41Å; T133-I137 WeakPolarHBondContact O-CD1 3.21Å; T133-I137 WeakPolarHBondContact O-CG1 3.34Å; T133-I137 PolarHBondContact O-N 2.99Å; S134-I137 PolarHBondContact O-N 3.32Å; F135-I137 VanDerWaalsContact C-N 3.31Å; F135-I137 PolarHBondContact O-N 3.4Å; I137-L140 PolarHBondContact O-N 3.18Å; I137-I141 HydrophobicContact CG2-CD1 3.67Å; I137-I141 HydrophobicContact CG2-CG1 4.38Å; I137-I141 VanDerWaalsContact O-CG1 3.3Å; I137-I141 WeakPolarHBondContact O-CG1 3.44Å; I137-I141 PolarHBondContact O-N 2.85Å |
| 138 | S | 97.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 177.9 | 63 | 0 | 0 | 0 | 0 | 112.4 | S134 F135 L140 I141 F142 Q207 | S134-S138 WeakPolarHBondContact O-CB 3.38Å; S134-S138 PolarHBondContact O-N 2.56Å; S134-S138 PolarHBondContact O-OG 2.88Å; F135-S138 WeakPolarHBondContact CA-OG 3.49Å; F135-S138 PolarHBondContact O-N 2.78Å; F135-S138 VanDerWaalsContact O-N 3.15Å; F135-S138 PolarHBondContact O-OG 3.07Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 3.14Å; S138-I141 PolarHBondContact O-N 3.19Å; S138-F142 VanDerWaalsContact O-CD2 3.29Å; S138-F142 WeakPolarHBondContact O-CD2 3.37Å; S138-F142 PolarHBondContact O-N 3.44Å; S138-Q207 PolarHBondContact OG-NE2 2.87Å; S138-Q207 PolarHBondContact OG-OE1 2.75Å |
| 139 | W | 97.3 | Very high | 95.8 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.2 | -39.9 | 175.7 | -59.8 | -21.6 | 0 | 0 | 0 | 111.9 | F135 L136 G143 L200 S203 M204 T208 | F135-W139 HydrophobicContact CB-CH2 4.29Å; F135-W139 HydrophobicContact CB-CZ2 3.94Å; F135-W139 HydrophobicContact CD1-CZ2 4.35Å; F135-W139 HydrophobicContact CG-CZ2 4.39Å; F135-W139 VanDerWaalsContact O-CG 3.26Å; F135-W139 PolarHBondContact O-N 3.28Å; L136-W139 HydrophobicContact CD2-CE3 3.99Å; L136-W139 HydrophobicContact CD2-CZ3 3.97Å; W139-G143 WeakPolarHBondContact O-CA 3.42Å; W139-G143 PolarHBondContact O-N 3.44Å; W139-L200 HydrophobicContact CB-CD1 4.3Å; W139-L200 WeakPolarHBondContact O-CD1 3.11Å; W139-S203 WeakPolarHBondContact CA-OG 3.47Å; W139-S203 WeakPolarHBondContact O-CB 3.35Å; W139-S203 PolarHBondContact O-OG 2.89Å; W139-M204 HydrophobicContact CD2-CB 4.31Å; W139-M204 HydrophobicContact CD2-CG 4.03Å; W139-M204 HydrophobicContact CE3-CG 4.12Å; W139-M204 HydrophobicContact CG-CB 4.41Å; W139-M204 HydrophobicContact CH2-CG 4.32Å; W139-M204 HydrophobicContact CZ2-CG 4.22Å; W139-M204 HydrophobicContact CZ3-CG 4.26Å; W139-M204 HydrophobicContact CZ3-SD 4.43Å; W139-T208 HydrophobicContact CZ2-CG2 3.64Å |
| 140 | L | 97.5 | Very high | 95.6 | Very high | 77 Ų | 77 | 49 Ų | 49 | 40% | 0.403 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.2 | -47.7 | 176.6 | -170.2 | 77.3 | 0 | 0 | 0 | 111.8 | L136 I137 S138 G143 I144 F196 | L136-L140 VanDerWaalsContact O-CB 3.27Å; L136-L140 WeakPolarHBondContact O-CB 3.19Å; L136-L140 PolarHBondContact O-N 3.35Å; I137-L140 PolarHBondContact O-N 3.18Å; S138-L140 VanDerWaalsContact C-N 3.29Å; S138-L140 PolarHBondContact O-N 3.14Å; L140-G143 PolarHBondContact O-N 2.77Å; L140-I144 HydrophobicContact CG-CD1 4.07Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.3Å; L140-I144 PolarHBondContact O-N 2.89Å; L140-F196 HydrophobicContact CD1-CZ 3.85Å |
| 141 | I | 97.4 | Very high | 95.5 | Very high | 88 Ų | 88 | 50.1 Ų | 50.1 | 45% | 0.451 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.7 | -52.1 | 179.8 | -70.8 | 167 | 0 | 0 | 0 | 110.4 | I137 S138 G143 I144 I145 | I137-I141 HydrophobicContact CG2-CD1 3.67Å; I137-I141 HydrophobicContact CG2-CG1 4.38Å; I137-I141 VanDerWaalsContact O-CG1 3.3Å; I137-I141 WeakPolarHBondContact O-CG1 3.44Å; I137-I141 PolarHBondContact O-N 2.85Å; S138-I141 PolarHBondContact O-N 3.19Å; I141-G143 VanDerWaalsContact C-N 3.32Å; I141-G143 PolarHBondContact O-N 3.04Å; I141-I144 PolarHBondContact O-N 2.99Å; I141-I145 HydrophobicContact CG2-CD1 3.97Å; I141-I145 WeakPolarHBondContact O-CG1 3.41Å; I141-I145 PolarHBondContact O-N 2.96Å |
| 142 | F | 97 | Very high | 95.2 | Very high | 17 Ų | 17 | 54 Ų | 54 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.4 | -34.1 | 178 | -73.9 | -68.5 | 0 | 0 | 0 | 112.4 | S138 I144 I145 F146 S203 T227 I230 Q231 V234 | S138-F142 VanDerWaalsContact O-CD2 3.29Å; S138-F142 WeakPolarHBondContact O-CD2 3.37Å; S138-F142 PolarHBondContact O-N 3.44Å; F142-I144 PolarHBondContact O-N 3.48Å; F142-I145 HydrophobicContact CD1-CD1 4.18Å; F142-I145 PolarHBondContact O-N 2.83Å; F142-F146 HydrophobicContact CB-CD2 4.5Å; F142-F146 HydrophobicContact CB-CE2 4.19Å; F142-F146 WeakPolarHBondContact O-CD2 3.3Å; F142-F146 WeakPolarHBondContact O-CG 3.3Å; F142-F146 PolarHBondContact O-N 2.83Å; F142-S203 WeakPolarHBondContact CB-OG 3.45Å; F142-T227 HydrophobicContact CD1-CG2 3.92Å; F142-T227 HydrophobicContact CE1-CG2 4.4Å; F142-I230 HydrophobicContact CE1-CG2 4.22Å; F142-I230 HydrophobicContact CZ-CG2 4.27Å; F142-Q231 HydrophobicContact CB-CG 4.4Å; F142-Q231 HydrophobicContact CD1-CB 3.8Å; F142-Q231 HydrophobicContact CD1-CG 4.11Å; F142-Q231 HydrophobicContact CD2-CB 4.18Å; F142-Q231 HydrophobicContact CD2-CG 3.68Å; F142-Q231 HydrophobicContact CE1-CB 3.72Å; F142-Q231 HydrophobicContact CE1-CG 4.31Å; F142-Q231 HydrophobicContact CE2-CB 4.11Å; F142-Q231 HydrophobicContact CE2-CG 3.91Å; F142-Q231 HydrophobicContact CG-CB 4.04Å; F142-Q231 HydrophobicContact CG-CG 3.81Å; F142-Q231 HydrophobicContact CZ-CB 3.89Å; F142-Q231 HydrophobicContact CZ-CG 4.22Å; F142-V234 HydrophobicContact CE2-CB 4.21Å; F142-V234 HydrophobicContact CE2-CG1 4.06Å; F142-V234 HydrophobicContact CZ-CB 4.19Å; F142-V234 HydrophobicContact CZ-CG1 4.44Å; F142-V234 HydrophobicContact CZ-CG2 4.24Å |
| 143 | G | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | W139 L140 I141 Y147 A199 S203 | W139-G143 WeakPolarHBondContact O-CA 3.42Å; W139-G143 PolarHBondContact O-N 3.44Å; L140-G143 PolarHBondContact O-N 2.77Å; I141-G143 VanDerWaalsContact C-N 3.32Å; I141-G143 PolarHBondContact O-N 3.04Å; G143-Y147 WeakPolarHBondContact O-CB 3.34Å; G143-Y147 PolarHBondContact O-N 2.94Å; G143-A199 WeakPolarHBondContact O-CB 3.46Å; G143-S203 PolarHBondContact N-OG 2.89Å |
| 144 | I | 96.8 | Very high | 94.5 | Very high | 79 Ų | 79 | 50 Ų | 50 | 41% | 0.405 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 171.9 | -68.9 | 165.2 | 0 | 0 | 0 | 110.6 | L140 I141 F142 Y147 S148 F196 | L140-I144 HydrophobicContact CG-CD1 4.07Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.3Å; L140-I144 PolarHBondContact O-N 2.89Å; I141-I144 PolarHBondContact O-N 2.99Å; F142-I144 PolarHBondContact O-N 3.48Å; I144-Y147 PolarHBondContact O-N 3.36Å; I144-S148 VanDerWaalsContact O-CB 3.3Å; I144-S148 WeakPolarHBondContact O-CB 3.37Å; I144-S148 PolarHBondContact O-N 2.87Å; I144-S148 PolarHBondContact O-OG 2.79Å; I144-F196 HydrophobicContact CG1-CE2 3.75Å; I144-F196 HydrophobicContact CG1-CZ 4.33Å |
| 145 | I | 96.1 | Very high | 94 | Very high | 61 Ų | 61 | 49.6 Ų | 49.6 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.8 | -51.9 | 177.7 | -65.3 | 163.7 | 0 | 0 | 0 | 110.4 | I141 F142 Y147 S148 V149 T227 | I141-I145 HydrophobicContact CG2-CD1 3.97Å; I141-I145 WeakPolarHBondContact O-CG1 3.41Å; I141-I145 PolarHBondContact O-N 2.96Å; F142-I145 HydrophobicContact CD1-CD1 4.18Å; F142-I145 PolarHBondContact O-N 2.83Å; I145-Y147 VanDerWaalsContact C-N 3.34Å; I145-Y147 PolarHBondContact O-N 3.34Å; I145-S148 CarbonylContact O-C 3.6Å; I145-S148 WeakPolarHBondContact O-CB 3.47Å; I145-S148 PolarHBondContact O-N 3.2Å; I145-S148 VanDerWaalsContact O-N 3.09Å; I145-V149 HydrophobicContact CG2-CG2 4.37Å; I145-V149 WeakPolarHBondContact O-CG2 3.39Å; I145-V149 PolarHBondContact O-N 3.46Å; I145-T227 HydrophobicContact CB-CG2 4.35Å; I145-T227 HydrophobicContact CG2-CG2 3.63Å |
| 146 | F | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 177.6 | -68.5 | -52.7 | 0 | 0 | 0 | 112.7 | F142 S148 V149 A150 I190 A199 F202 T227 V228 | F142-F146 HydrophobicContact CB-CD2 4.5Å; F142-F146 HydrophobicContact CB-CE2 4.19Å; F142-F146 WeakPolarHBondContact O-CD2 3.3Å; F142-F146 WeakPolarHBondContact O-CG 3.3Å; F142-F146 PolarHBondContact O-N 2.83Å; F146-S148 VanDerWaalsContact C-N 3.3Å; F146-S148 PolarHBondContact O-N 2.81Å; F146-V149 PolarHBondContact O-N 3.07Å; F146-A150 WeakPolarHBondContact O-CB 3.36Å; F146-A150 PolarHBondContact O-N 3.18Å; F146-I190 HydrophobicContact CB-CD1 3.73Å; F146-I190 HydrophobicContact CD1-CD1 3.64Å; F146-I190 HydrophobicContact CE1-CD1 4.49Å; F146-I190 HydrophobicContact CG-CD1 3.87Å; F146-A199 HydrophobicContact CB-CB 4.24Å; F146-F202 HydrophobicContact CD1-CD1 4.3Å; F146-F202 HydrophobicContact CD1-CE1 4.08Å; F146-F202 AromaticContact CD2-CD1 3.78Å; F146-F202 HydrophobicContact CD2-CD1 3.78Å; F146-F202 HydrophobicContact CD2-CE1 4.17Å; F146-F202 HydrophobicContact CE1-CD1 4.38Å; F146-F202 AromaticContact CE1-CE1 3.82Å; F146-F202 HydrophobicContact CE1-CE1 3.82Å; F146-F202 AromaticContact CE2-CD1 3.88Å; F146-F202 HydrophobicContact CE2-CD1 3.88Å; F146-F202 AromaticContact CE2-CE1 3.92Å; F146-F202 HydrophobicContact CE2-CE1 3.92Å; F146-F202 HydrophobicContact CG-CD1 4.01Å; F146-F202 HydrophobicContact CG-CE1 4.25Å; F146-F202 HydrophobicContact CZ-CD1 4.18Å; F146-F202 AromaticContact CZ-CE1 3.74Å; F146-F202 HydrophobicContact CZ-CE1 3.74Å; F146-T227 HydrophobicContact CD1-CG2 3.99Å; F146-T227 HydrophobicContact CE1-CG2 3.45Å; F146-T227 VanDerWaalsContact CE1-CG2 3.45Å; F146-T227 HydrophobicContact CE2-CG2 4.41Å; F146-T227 HydrophobicContact CZ-CG2 3.69Å; F146-V228 HydrophobicContact CE1-CG2 3.9Å; F146-V228 HydrophobicContact CZ-CG2 3.85Å |
| 147 | Y | 94.9 | Very high | 92.5 | Very high | 74 Ų | 74 | 52.2 Ų | 52.2 | 29% | 0.29 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 173.9 | -178.6 | -111.7 | 0 | 0 | 0 | 111.9 | G143 I144 I145 L151 F156 F196 | G143-Y147 WeakPolarHBondContact O-CB 3.34Å; G143-Y147 PolarHBondContact O-N 2.94Å; I144-Y147 PolarHBondContact O-N 3.36Å; I145-Y147 VanDerWaalsContact C-N 3.34Å; I145-Y147 PolarHBondContact O-N 3.34Å; Y147-L151 HydrophobicContact CE1-CD2 4.46Å; Y147-L151 WeakPolarHBondContact O-CB 3.46Å; Y147-L151 PolarHBondContact O-N 3.4Å; Y147-F156 AromaticContact CD2-CE2 3.77Å; Y147-F156 HydrophobicContact CD2-CE2 3.77Å; Y147-F156 AromaticContact CD2-CZ 3.56Å; Y147-F156 HydrophobicContact CD2-CZ 3.56Å; Y147-F156 HydrophobicContact CE2-CD2 4.36Å; Y147-F156 HydrophobicContact CE2-CE1 4.37Å; Y147-F156 AromaticContact CE2-CE2 3.48Å; Y147-F156 HydrophobicContact CE2-CE2 3.48Å; Y147-F156 VanDerWaalsContact CE2-CE2 3.48Å; Y147-F156 AromaticContact CE2-CZ 3.51Å; Y147-F156 HydrophobicContact CE2-CZ 3.51Å; Y147-F196 HydrophobicContact CD1-CD2 4.26Å; Y147-F196 HydrophobicContact CD2-CB 4.23Å; Y147-F196 HydrophobicContact CE2-CB 4.35Å; Y147-F196 HydrophobicContact CG-CB 4.4Å; Y147-F196 HydrophobicContact CG-CD2 4.15Å |
| 148 | S | 93.7 | Very high | 90.7 | Very high | 58 Ų | 58 | 55.4 Ų | 55.4 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -70 | -37 | 177.9 | -56.6 | 0 | 0 | 0 | 0 | 112.5 | I144 I145 F146 A152 | I144-S148 VanDerWaalsContact O-CB 3.3Å; I144-S148 WeakPolarHBondContact O-CB 3.37Å; I144-S148 PolarHBondContact O-N 2.87Å; I144-S148 PolarHBondContact O-OG 2.79Å; I145-S148 CarbonylContact O-C 3.6Å; I145-S148 WeakPolarHBondContact O-CB 3.47Å; I145-S148 PolarHBondContact O-N 3.2Å; I145-S148 VanDerWaalsContact O-N 3.09Å; F146-S148 VanDerWaalsContact C-N 3.3Å; F146-S148 PolarHBondContact O-N 2.81Å; S148-A152 WeakPolarHBondContact O-CB 3.39Å; S148-A152 PolarHBondContact O-N 2.99Å |
| 149 | V | 92.5 | Very high | 88.7 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.9 | -47.4 | 174.5 | 172 | 0 | 0 | 0 | 0 | 110.6 | I145 F146 L151 A152 H153 C189 L223 A224 | I145-V149 HydrophobicContact CG2-CG2 4.37Å; I145-V149 WeakPolarHBondContact O-CG2 3.39Å; I145-V149 PolarHBondContact O-N 3.46Å; F146-V149 PolarHBondContact O-N 3.07Å; V149-L151 VanDerWaalsContact C-N 3.35Å; V149-L151 PolarHBondContact O-N 3.49Å; V149-A152 PolarHBondContact O-N 2.86Å; V149-H153 WeakPolarHBondContact O-CB 3.36Å; V149-H153 PolarHBondContact O-N 2.94Å; V149-C189 HydrophobicContact CG1-CB 4.33Å; V149-L223 HydrophobicContact CG2-CD2 3.88Å; V149-L223 HydrophobicContact CG2-CG 4.02Å; V149-A224 HydrophobicContact CG1-CB 4.19Å |
| 150 | A | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F146 H153 G154 D155 F156 | F146-A150 WeakPolarHBondContact O-CB 3.36Å; F146-A150 PolarHBondContact O-N 3.18Å; A150-H153 PolarHBondContact O-N 2.83Å; A150-G154 PolarHBondContact O-N 2.88Å; A150-D155 WeakPolarHBondContact CA-OD2 3.27Å; A150-D155 HydrophobicContact CB-CB 3.98Å; A150-D155 WeakPolarHBondContact O-CB 3.35Å; A150-D155 PolarHBondContact O-N 2.93Å; A150-F156 HydrophobicContact CB-CE2 3.77Å; A150-F156 HydrophobicContact CB-CZ 3.7Å |
| 151 | L | 91.3 | Very high | 83.3 | Confident | 99 Ų | 99 | 66.1 Ų | 66.1 | 52% | 0.518 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 177 | -174.8 | 65.2 | 0 | 0 | 0 | 112.4 | Y147 V149 G154 F156 | Y147-L151 HydrophobicContact CE1-CD2 4.46Å; Y147-L151 WeakPolarHBondContact O-CB 3.46Å; Y147-L151 PolarHBondContact O-N 3.4Å; V149-L151 VanDerWaalsContact C-N 3.35Å; V149-L151 PolarHBondContact O-N 3.49Å; L151-G154 PolarHBondContact O-N 2.75Å; L151-F156 HydrophobicContact CB-CD2 4.19Å; L151-F156 HydrophobicContact CB-CE2 3.99Å; L151-F156 HydrophobicContact CD1-CD2 3.92Å; L151-F156 HydrophobicContact CD1-CE2 4.44Å |
| 152 | A | 90.1 | Very high | 80.3 | Confident | 91 Ų | 91 | 68.8 Ų | 68.8 | 75% | 0.752 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.7 | -28.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | S148 V149 | S148-A152 WeakPolarHBondContact O-CB 3.39Å; S148-A152 PolarHBondContact O-N 2.99Å; V149-A152 PolarHBondContact O-N 2.86Å |
| 153 | H | 88.3 | Confident | 77.9 | Confident | 41 Ų | 41 | 77.6 Ų | 77.6 | 19% | 0.19 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -75.8 | -30.4 | 173.1 | -171.7 | -116.8 | 0 | 0 | 0 | 112.3 | V149 A150 D155 R186 C189 | V149-H153 WeakPolarHBondContact O-CB 3.36Å; V149-H153 PolarHBondContact O-N 2.94Å; A150-H153 PolarHBondContact O-N 2.83Å; H153-D155 IonicContact CE1-OD1 2.67Å; H153-D155 IonicContact CG-OD1 3.21Å; H153-D155 IonicContact ND1-OD1 3.51Å; H153-D155 PolarHBondContact ND1-OD1 2.74Å; H153-R186 PolarHBondContact CD2-NH2 3.15Å; H153-R186 PolarHBondContact CE1-NE 3.37Å; H153-R186 PolarHBondContact NE2-NE 2.76Å; H153-R186 PolarHBondContact NE2-NH2 2.85Å; H153-R186 PolarHBondContact O-NH1 3.4Å; H153-R186 VanDerWaalsContact O-NH1 3.08Å; H153-R186 PolarHBondContact O-NH2 2.95Å; H153-C189 WeakPolarHBondContact CB-SG 3.48Å |
| 154 | G | 87.4 | Confident | 75.1 | Confident | 12 Ų | 12 | 80.4 Ų | 80.4 | 12% | 0.124 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 26.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A150 L151 F156 D157 | A150-G154 PolarHBondContact O-N 2.88Å; L151-G154 PolarHBondContact O-N 2.75Å; G154-F156 PolarHBondContact O-N 3.42Å; G154-F156 VanDerWaalsContact O-N 3.17Å; G154-D157 WeakPolarHBondContact O-CB 3.49Å; G154-D157 PolarHBondContact O-N 3.21Å; G154-D157 VanDerWaalsContact O-N 3.08Å |
| 155 | D | 84.8 | Confident | 72.5 | Confident | 35 Ų | 35 | 85 Ų | 85 | 19% | 0.187 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -19.3 | 179.2 | -73.1 | -9.6 | 0 | 0 | 0 | 113 | A150 H153 P188 C189 | A150-D155 WeakPolarHBondContact CA-OD2 3.27Å; A150-D155 HydrophobicContact CB-CB 3.98Å; A150-D155 WeakPolarHBondContact O-CB 3.35Å; A150-D155 PolarHBondContact O-N 2.93Å; H153-D155 IonicContact CE1-OD1 2.67Å; H153-D155 IonicContact CG-OD1 3.21Å; H153-D155 IonicContact ND1-OD1 3.51Å; H153-D155 PolarHBondContact ND1-OD1 2.74Å; D155-P188 HydrophobicContact CB-CB 4.12Å; D155-P188 VanDerWaalsContact CG-CB 3.49Å; D155-P188 WeakPolarHBondContact OD1-CA 3.3Å; D155-P188 WeakPolarHBondContact OD1-CB 3.27Å; D155-C189 PolarHBondContact OD1-N 3.23Å; D155-C189 WeakPolarHBondContact OD2-CB 3.47Å; D155-C189 PolarHBondContact OD2-N 3.19Å |
| 156 | F | 82.4 | Confident | 69.8 | Low | 58 Ų | 58 | 87.9 Ų | 87.9 | 25% | 0.254 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -7.7 | 177.3 | -53.8 | -60.1 | 0 | 0 | 0 | 113.7 | Y147 A150 L151 G154 E158 V193 | Y147-F156 AromaticContact CD2-CE2 3.77Å; Y147-F156 HydrophobicContact CD2-CE2 3.77Å; Y147-F156 AromaticContact CD2-CZ 3.56Å; Y147-F156 HydrophobicContact CD2-CZ 3.56Å; Y147-F156 HydrophobicContact CE2-CD2 4.36Å; Y147-F156 HydrophobicContact CE2-CE1 4.37Å; Y147-F156 AromaticContact CE2-CE2 3.48Å; Y147-F156 HydrophobicContact CE2-CE2 3.48Å; Y147-F156 VanDerWaalsContact CE2-CE2 3.48Å; Y147-F156 AromaticContact CE2-CZ 3.51Å; Y147-F156 HydrophobicContact CE2-CZ 3.51Å; A150-F156 HydrophobicContact CB-CE2 3.77Å; A150-F156 HydrophobicContact CB-CZ 3.7Å; L151-F156 HydrophobicContact CB-CD2 4.19Å; L151-F156 HydrophobicContact CB-CE2 3.99Å; L151-F156 HydrophobicContact CD1-CD2 3.92Å; L151-F156 HydrophobicContact CD1-CE2 4.44Å; G154-F156 PolarHBondContact O-N 3.42Å; G154-F156 VanDerWaalsContact O-N 3.17Å; F156-E158 PolarHBondContact O-N 2.82Å; F156-E158 VanDerWaalsContact O-N 3.16Å; F156-V193 HydrophobicContact CE1-CG1 4.1Å; F156-V193 WeakPolarHBondContact CE1-O 3.49Å; F156-V193 HydrophobicContact CZ-CG1 4.12Å |
| 157 | D | 78.9 | Confident | 67.3 | Low | 131 Ų | 131 | 95 Ų | 95 | 70% | 0.701 | 52% | 0.518 | S | S | * | . | trans | -77.7 | 103.3 | -179.5 | -67.8 | -32.6 | 0 | 0 | 0 | 109.4 | G154 | G154-D157 WeakPolarHBondContact O-CB 3.49Å; G154-D157 PolarHBondContact O-N 3.21Å; G154-D157 VanDerWaalsContact O-N 3.08Å | ||
| 158 | E | 59.9 | Low | 64.8 | Low | 163 Ų | 163 | 98.2 Ų | 98.2 | 76% | 0.762 | 55% | 0.545 | S | S | * | . | trans | -57.4 | 132 | 175.9 | -167.7 | 176.2 | -154 | 0 | 0 | 109.8 | F156 T160 | F156-E158 PolarHBondContact O-N 2.82Å; F156-E158 VanDerWaalsContact O-N 3.16Å; E158-T160 PolarHBondContact O-N 2.92Å | ||
| 159 | P | 55.1 | Low | 62.1 | Low | 113 Ų | 113 | 100.8 Ų | 100.8 | 73% | 0.734 | 56% | 0.559 | S | S | * | * | trans | -61.5 | 101.1 | 179.9 | 24 | -33.5 | 0 | 0 | 0 | 109.8 | N161 | P159-N161 PolarHBondContact O-N 3.24Š| ||
| 160 | T | 42.7 | Very low | 59.4 | Low | 126 Ų | 126 | 103.2 Ų | 103.2 | 77% | 0.773 | 59% | 0.587 | S | S | * | * | trans | -75.3 | 106.9 | -166.5 | 7.5 | 0 | 0 | 0 | 0 | 110.1 | E158 | E158-T160 PolarHBondContact O-N 2.92Š| ||
| 161 | N | 37.8 | Very low | 57.1 | Low | 127 Ų | 127 | 110.4 Ų | 110.4 | 68% | 0.679 | 62% | 0.622 | S | S | * | * | trans | 66 | 110.6 | 176.8 | -70.2 | -62.6 | 0 | 0 | 0 | 117.4 | P159 | P159-N161 PolarHBondContact O-N 3.24Š| ||
| 162 | Q | 35.5 | Very low | 54.5 | Low | 144 Ų | 144 | 116 Ų | 116 | 67% | 0.673 | 64% | 0.638 | S | S | * | * | -137.5 | 77.6 | 106.5 | -168.5 | 144.8 | 5.7 | 0 | 0 | 112.7 | S164 | Q162-S164 WeakPolarHBondContact CG-OG 3.27Å; Q162-S164 PolarHBondContact NE2-OG 2.79Å; Q162-S164 PolarHBondContact O-N 2.83Å | |||
| 163 | K | 44.8 | Very low | 51.8 | Low | 203 Ų | 203 | 115.6 Ų | 115.6 | 88% | 0.883 | 64% | 0.642 | S | S | * | * | trans | -72.9 | 82.6 | 154.4 | -81.3 | -177.3 | 179.2 | 171.2 | 0 | 109.1 | ||||
| 164 | S | 37.7 | Very low | 49.7 | Very low | 59 Ų | 59 | 118.3 Ų | 118.3 | 41% | 0.413 | 67% | 0.672 | S | S | . | * | trans | -138.6 | 114 | 162.1 | 65.5 | 0 | 0 | 0 | 0 | 110.2 | Q162 V166 | Q162-S164 WeakPolarHBondContact CG-OG 3.27Å; Q162-S164 PolarHBondContact NE2-OG 2.79Å; Q162-S164 PolarHBondContact O-N 2.83Å; S164-V166 PolarHBondContact O-N 2.82Å | ||
| 165 | N | 43.9 | Very low | 47.3 | Very low | 175 Ų | 175 | 123.1 Ų | 123.1 | 94% | 0.936 | 70% | 0.704 | S | S | * | * | trans | -32.1 | 103.3 | 176.1 | -55.6 | -26.5 | 0 | 0 | 0 | 114 | ||||
| 166 | V | 38.8 | Very low | 44.9 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | -117.4 | 98.5 | 158.2 | 179.9 | 0 | 0 | 0 | 0 | 107.8 | S164 V168 | S164-V166 PolarHBondContact O-N 2.82Å; V166-V168 PolarHBondContact O-N 3.1Å; V166-V168 VanDerWaalsContact O-N 3.09Å | ||
| 167 | L | 42.3 | Very low | 42.9 | Very low | 151 Ų | 151 | 128 Ų | 128 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | -62.9 | 99.7 | 170.2 | -177 | 86.7 | 0 | 0 | 0 | 108.6 | T169 | L167-T169 WeakPolarHBondContact CD2-OG1 3.28Å; L167-T169 PolarHBondContact O-N 2.72Å | ||
| 168 | V | 42.3 | Very low | 40.7 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -73.4 | 83.7 | 174.9 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | V166 | V166-V168 PolarHBondContact O-N 3.1Å; V166-V168 VanDerWaalsContact O-N 3.09Å | ||
| 169 | T | 37.2 | Very low | 40.1 | Very low | 113 Ų | 113 | 128 Ų | 128 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | trans | -93.5 | 137.7 | 160.7 | -50.2 | 0 | 0 | 0 | 0 | 107.8 | L167 | L167-T169 WeakPolarHBondContact CD2-OG1 3.28Å; L167-T169 PolarHBondContact O-N 2.72Å | ||
| 170 | G | 36.2 | Very low | 39.2 | Very low | 66 Ų | 66 | 129 Ų | 129 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | trans | 103.9 | 88.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 171 | M | 41.2 | Very low | 39 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -75.8 | 153.4 | 144 | -151.2 | 168.1 | 77.6 | 0 | 0 | 107.8 | ||
| 172 | Y | 37.5 | Very low | 38.9 | Very low | 216 Ų | 216 | 123.9 Ų | 123.9 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | 77.7 | 122.7 | -172.7 | -46.9 | -70.7 | 0 | 0 | 0 | 116.7 | ||||
| 173 | G | 33.6 | Very low | 39.2 | Very low | 82 Ų | 82 | 123.6 Ų | 123.6 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | 139.7 | 106.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 174 | A | 44.1 | Very low | 39.4 | Very low | 99 Ų | 99 | 120.4 Ų | 120.4 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -88.1 | 159.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 175 | S | 37.2 | Very low | 40.3 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | 108.1 | 145 | 151.7 | 80.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 176 | S | 34.2 | Very low | 41.6 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | 67.3 | 135 | 176 | 72.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 177 | G | 40 | Very low | 43.7 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -115.1 | 164 | -162.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 178 | H | 32.7 | Very low | 45.9 | Very low | 186 Ų | 186 | 118.3 Ų | 118.3 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | trans | -148.1 | 130.6 | 156.7 | -106.9 | 49.4 | 0 | 0 | 0 | 107.7 | V180 | H178-V180 PolarHBondContact O-N 2.97Š| ||
| 179 | A | 47.2 | Very low | 48.1 | Very low | 108 Ų | 108 | 111.7 Ų | 111.7 | 89% | 0.893 | 70% | 0.698 | S | S | * | * | trans | -85.7 | 105.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 180 | V | 36.9 | Very low | 50.7 | Low | 132 Ų | 132 | 106.4 Ų | 106.4 | 80% | 0.8 | 67% | 0.666 | S | S | * | * | trans | -144.2 | 124.2 | 169.4 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | H178 | H178-V180 PolarHBondContact O-N 2.97Š| ||
| 181 | G | 37.1 | Very low | 53.2 | Low | 67 Ų | 67 | 106.2 Ų | 106.2 | 69% | 0.691 | 65% | 0.649 | S | S | * | * | trans | 79.4 | 54.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q183 | G181-Q183 VanDerWaalsContact C-N 3.34Å; G181-Q183 PolarHBondContact O-N 3.06Å | ||
| 182 | G | 37.6 | Very low | 55.4 | Low | 80 Ų | 80 | 103.7 Ų | 103.7 | 83% | 0.825 | 64% | 0.635 | S | S | * | * | trans | -67.4 | 91.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | T184 | G182-T184 PolarHBondContact O-N 2.88Å; G182-T184 VanDerWaalsContact O-N 3.09Å | ||
| 183 | Q | 41.8 | Very low | 57.9 | Low | 138 Ų | 138 | 93.9 Ų | 93.9 | 65% | 0.645 | 60% | 0.598 | S | S | * | * | trans | -73.5 | 96 | 165.6 | -72.9 | -160.5 | -1.1 | 0 | 0 | 108.5 | G181 Q185 | G181-Q183 VanDerWaalsContact C-N 3.34Å; G181-Q183 PolarHBondContact O-N 3.06Å; Q183-Q185 PolarHBondContact O-N 2.8Å | ||
| 184 | T | 47.2 | Very low | 60.3 | Low | 136 Ų | 136 | 98.7 Ų | 98.7 | 83% | 0.834 | 60% | 0.598 | S | S | * | * | trans | -62.2 | 103.7 | 166.3 | -34.1 | 0 | 0 | 0 | 0 | 107.4 | G182 R186 | G182-T184 PolarHBondContact O-N 2.88Å; G182-T184 VanDerWaalsContact O-N 3.09Å; T184-R186 PolarHBondContact O-N 3.18Å; T184-R186 VanDerWaalsContact O-N 3.07Å | ||
| 185 | Q | 58.4 | Low | 62.5 | Low | 184 Ų | 184 | 94.9 Ų | 94.9 | 86% | 0.86 | 57% | 0.569 | S | S | * | * | trans | -59.6 | 116.1 | 171 | -75.9 | -174.8 | -16.8 | 0 | 0 | 107.5 | Q183 M187 | Q183-Q185 PolarHBondContact O-N 2.8Å; Q185-M187 PolarHBondContact O-N 3.11Å; Q185-M187 VanDerWaalsContact O-N 3.15Å | ||
| 186 | R | 69.5 | Low | 65.2 | Low | 164 Ų | 164 | 93.3 Ų | 93.3 | 62% | 0.619 | 55% | 0.548 | S | S | * | . | trans | -68 | 113.9 | 179.1 | -171.2 | 174.3 | -174.1 | -171.8 | -6.4 | 108.1 | H153 T184 | H153-R186 PolarHBondContact CD2-NH2 3.15Å; H153-R186 PolarHBondContact CE1-NE 3.37Å; H153-R186 PolarHBondContact NE2-NE 2.76Å; H153-R186 PolarHBondContact NE2-NH2 2.85Å; H153-R186 PolarHBondContact O-NH1 3.4Å; H153-R186 VanDerWaalsContact O-NH1 3.08Å; H153-R186 PolarHBondContact O-NH2 2.95Å; T184-R186 PolarHBondContact O-N 3.18Å; T184-R186 VanDerWaalsContact O-N 3.07Å | ||
| 187 | M | 82.9 | Confident | 68 | Low | 80 Ų | 80 | 92 Ų | 92 | 39% | 0.394 | 53% | 0.534 | S | S | . | . | trans | -70 | 127.5 | 177.2 | -178.1 | 167.1 | -166.6 | 0 | 0 | 108.3 | Q185 T218 E220 | Q185-M187 PolarHBondContact O-N 3.11Å; Q185-M187 VanDerWaalsContact O-N 3.15Å; M187-T218 HydrophobicContact CE-CG2 3.57Å; M187-T218 HydrophobicContact CG-CG2 4Å; M187-T218 HydrophobicContact SD-CG2 4.46Å; M187-E220 HydrophobicContact CB-CG 3.69Å; M187-E220 HydrophobicContact CG-CG 3.77Å; M187-E220 HydrophobicContact SD-CG 4.16Å | ||
| 188 | P | 88.4 | Confident | 70.5 | Confident | 34 Ų | 34 | 89.2 Ų | 89.2 | 22% | 0.221 | 51% | 0.506 | C | S | . | . | trans | -76.2 | 161.4 | -177.4 | 32.2 | -36.3 | 0 | 0 | 0 | 110.7 | D155 I190 L191 T218 | D155-P188 HydrophobicContact CB-CB 4.12Å; D155-P188 VanDerWaalsContact CG-CB 3.49Å; D155-P188 WeakPolarHBondContact OD1-CA 3.3Å; D155-P188 WeakPolarHBondContact OD1-CB 3.27Å; P188-I190 PolarHBondContact O-N 2.94Å; P188-L191 HydrophobicContact CG-CD2 3.84Å; P188-T218 WeakPolarHBondContact O-CB 3.32Å; P188-T218 WeakPolarHBondContact O-CG2 3.33Å; P188-T218 PolarHBondContact O-OG1 2.77Å | ||
| 189 | C | 89.4 | Confident | 73.5 | Confident | 1 Ų | 1 | 80.3 Ų | 80.3 | 1% | 0.007 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -62.7 | -34 | 175.7 | -62.3 | 0 | 0 | 0 | 0 | 112.5 | V149 H153 D155 T218 C221 A224 | V149-C189 HydrophobicContact CG1-CB 4.33Å; H153-C189 WeakPolarHBondContact CB-SG 3.48Å; D155-C189 PolarHBondContact OD1-N 3.23Å; D155-C189 WeakPolarHBondContact OD2-CB 3.47Å; D155-C189 PolarHBondContact OD2-N 3.19Å; C189-T218 WeakPolarHBondContact CA-OG1 3.45Å; C189-T218 PolarHBondContact O-N 2.79Å; C189-T218 PolarHBondContact O-OG1 2.62Å; C189-C221 WeakPolarHBondContact CA-SG 3.34Å; C189-C221 HydrophobicContact CB-CB 3.57Å; C189-C221 WeakPolarHBondContact CB-SG 3.36Å; C189-C221 WeakPolarHBondContact SG-CB 3.33Å; C189-C221 CovalentContact SG-SG 2.03Å; C189-C221 PolarHBondContact SG-SG 2.81Å; C189-A224 HydrophobicContact CB-CB 4.26Å |
| 190 | I | 91.6 | Very high | 75.8 | Confident | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.01 | 44% | 0.435 | C | S | . | . | B | Isolated β-bridge | trans | -139.7 | 122.6 | 179.7 | -47.9 | 168.9 | 0 | 0 | 0 | 108.9 | F146 P188 V193 F202 C216 | F146-I190 HydrophobicContact CB-CD1 3.73Å; F146-I190 HydrophobicContact CD1-CD1 3.64Å; F146-I190 HydrophobicContact CE1-CD1 4.49Å; F146-I190 HydrophobicContact CG-CD1 3.87Å; P188-I190 PolarHBondContact O-N 2.94Å; I190-V193 HydrophobicContact CB-CG2 3.87Å; I190-V193 HydrophobicContact CG2-CG2 3.55Å; I190-F202 HydrophobicContact CD1-CD1 3.81Å; I190-F202 HydrophobicContact CD1-CE1 3.82Å; I190-F202 HydrophobicContact CG1-CE1 4.3Å; I190-F202 HydrophobicContact CG2-CD1 3.97Å; I190-F202 HydrophobicContact CG2-CD2 4.04Å; I190-F202 HydrophobicContact CG2-CE1 4.03Å; I190-F202 HydrophobicContact CG2-CE2 4.1Å; I190-F202 HydrophobicContact CG2-CG 3.96Å; I190-F202 HydrophobicContact CG2-CZ 4.1Å; I190-C216 CarbonylContact C-O 3.6Å; I190-C216 WeakPolarHBondContact CA-O 3.43Å |
| 191 | L | 88.9 | Confident | 78.6 | Confident | 61 Ų | 61 | 74.4 Ų | 74.4 | 32% | 0.319 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 141.7 | 179.5 | -65.5 | 171 | 0 | 0 | 0 | 111.5 | P188 V193 C216 T218 | P188-L191 HydrophobicContact CG-CD2 3.84Å; L191-V193 VanDerWaalsContact C-N 3.25Å; L191-V193 PolarHBondContact O-N 2.79Å; L191-C216 HydrophobicContact CD1-CB 4.37Å; L191-C216 PolarHBondContact N-O 2.97Å; L191-T218 HydrophobicContact CD1-CG2 4.48Å; L191-T218 HydrophobicContact CD2-CG2 4.44Å; L191-T218 HydrophobicContact CG-CG2 4.01Å |
| 192 | H | 86.8 | Confident | 81.4 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 45% | 0.454 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 23.3 | 174.4 | -55.8 | -76.8 | 0 | 0 | 0 | 116.5 | W214 | H192-W214 PolarHBondContact CD2-O 3.29Å; H192-W214 AromaticContact CG-CE2 3.95Å; H192-W214 AromaticContact CG-NE1 3.74Å; H192-W214 AromaticContact ND1-CZ2 3.88Å |
| 193 | V | 89.3 | Confident | 84.2 | Confident | 11 Ų | 11 | 67.9 Ų | 67.9 | 7% | 0.067 | 34% | 0.343 | C | S | . | . | trans | -88.5 | 104.9 | 167.1 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | F156 I190 L191 A199 | F156-V193 HydrophobicContact CE1-CG1 4.1Å; F156-V193 WeakPolarHBondContact CE1-O 3.49Å; F156-V193 HydrophobicContact CZ-CG1 4.12Å; I190-V193 HydrophobicContact CB-CG2 3.87Å; I190-V193 HydrophobicContact CG2-CG2 3.55Å; L191-V193 VanDerWaalsContact C-N 3.25Å; L191-V193 PolarHBondContact O-N 2.79Å; V193-A199 HydrophobicContact CG1-CB 3.96Å | ||
| 194 | Q | 85.6 | Confident | 86.8 | Confident | 182 Ų | 182 | 63.7 Ų | 63.7 | 85% | 0.85 | 32% | 0.324 | S | S | * | . | trans | -97.7 | -3.1 | -179.1 | -66.7 | 178.2 | -22.6 | 0 | 0 | 114.1 | ||||
| 195 | G | 90 | Very high | 89.1 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | S | Bend | trans | 168.1 | -173.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | V197 G198 A199 | G195-V197 VanDerWaalsContact C-N 3.35Å; G195-V197 PolarHBondContact O-N 3.15Å; G195-G198 WeakPolarHBondContact O-CA 3.25Å; G195-G198 PolarHBondContact O-N 3.01Å; G195-A199 PolarHBondContact O-N 2.8Å; G195-A199 VanDerWaalsContact O-N 3.13Å |
| 196 | F | 93.1 | Very high | 90.9 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 34% | 0.342 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -52.9 | -45 | -173.4 | 178 | -108.4 | 0 | 0 | 0 | 114.1 | L140 I144 Y147 G198 A199 L200 | L140-F196 HydrophobicContact CD1-CZ 3.85Å; I144-F196 HydrophobicContact CG1-CE2 3.75Å; I144-F196 HydrophobicContact CG1-CZ 4.33Å; Y147-F196 HydrophobicContact CD1-CD2 4.26Å; Y147-F196 HydrophobicContact CD2-CB 4.23Å; Y147-F196 HydrophobicContact CE2-CB 4.35Å; Y147-F196 HydrophobicContact CG-CB 4.4Å; Y147-F196 HydrophobicContact CG-CD2 4.15Å; F196-G198 VanDerWaalsContact C-N 3.28Å; F196-G198 PolarHBondContact O-N 2.99Å; F196-A199 PolarHBondContact O-N 2.91Å; F196-L200 HydrophobicContact CE1-CD2 4.41Å; F196-L200 WeakPolarHBondContact O-CB 3.29Å; F196-L200 PolarHBondContact O-N 3.24Å |
| 197 | V | 94 | Very high | 92.2 | Very high | 100 Ų | 100 | 42.1 Ų | 42.1 | 61% | 0.606 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -63.6 | -34.9 | 178.4 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | G195 L200 L201 | G195-V197 VanDerWaalsContact C-N 3.35Å; G195-V197 PolarHBondContact O-N 3.15Å; V197-L200 PolarHBondContact O-N 2.72Å; V197-L201 HydrophobicContact CG1-CD1 4.26Å; V197-L201 WeakPolarHBondContact O-CB 3.42Å; V197-L201 VanDerWaalsContact O-CG 3.3Å; V197-L201 WeakPolarHBondContact O-CG 3.42Å; V197-L201 PolarHBondContact O-N 3.01Å |
| 198 | G | 92.3 | Very high | 92.8 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 11% | 0.113 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.2 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G195 F196 F202 R215 | G195-G198 WeakPolarHBondContact O-CA 3.25Å; G195-G198 PolarHBondContact O-N 3.01Å; F196-G198 VanDerWaalsContact C-N 3.28Å; F196-G198 PolarHBondContact O-N 2.99Å; G198-F202 PolarHBondContact O-N 3.21Å; G198-R215 WeakPolarHBondContact O-CD 3.34Å |
| 199 | A | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.1 | -36.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G143 F146 V193 G195 F196 F202 S203 | G143-A199 WeakPolarHBondContact O-CB 3.46Å; F146-A199 HydrophobicContact CB-CB 4.24Å; V193-A199 HydrophobicContact CG1-CB 3.96Å; G195-A199 PolarHBondContact O-N 2.8Å; G195-A199 VanDerWaalsContact O-N 3.13Å; F196-A199 PolarHBondContact O-N 2.91Å; A199-F202 PolarHBondContact O-N 2.85Å; A199-S203 WeakPolarHBondContact O-CB 3.09Å; A199-S203 PolarHBondContact O-N 3.02Å |
| 200 | L | 96.1 | Very high | 93.4 | Very high | 52 Ų | 52 | 48.7 Ų | 48.7 | 27% | 0.272 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 174.1 | -177.3 | 62.6 | 0 | 0 | 0 | 112 | W139 F196 V197 S203 M204 | W139-L200 HydrophobicContact CB-CD1 4.3Å; W139-L200 WeakPolarHBondContact O-CD1 3.11Å; F196-L200 HydrophobicContact CE1-CD2 4.41Å; F196-L200 WeakPolarHBondContact O-CB 3.29Å; F196-L200 PolarHBondContact O-N 3.24Å; V197-L200 PolarHBondContact O-N 2.72Å; L200-S203 WeakPolarHBondContact O-CB 3.11Å; L200-S203 PolarHBondContact O-N 2.86Å; L200-M204 PolarHBondContact O-N 2.97Å |
| 201 | L | 95.7 | Very high | 93.4 | Very high | 64 Ų | 64 | 51 Ų | 51 | 34% | 0.335 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.5 | -45.9 | 173.8 | -73.1 | 170.4 | 0 | 0 | 0 | 111.4 | V197 S203 M204 E205 | V197-L201 HydrophobicContact CG1-CD1 4.26Å; V197-L201 WeakPolarHBondContact O-CB 3.42Å; V197-L201 VanDerWaalsContact O-CG 3.3Å; V197-L201 WeakPolarHBondContact O-CG 3.42Å; V197-L201 PolarHBondContact O-N 3.01Å; L201-S203 VanDerWaalsContact C-N 3.31Å; L201-S203 PolarHBondContact O-N 2.92Å; L201-M204 HydrophobicContact CD2-CE 4.34Å; L201-M204 PolarHBondContact O-N 2.99Å; L201-E205 WeakPolarHBondContact O-CB 3.41Å; L201-E205 VanDerWaalsContact O-CG 3.25Å; L201-E205 WeakPolarHBondContact O-CG 2.99Å; L201-E205 PolarHBondContact O-N 3.21Å |
| 202 | F | 95.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 4% | 0.039 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 174.3 | 179 | -110.9 | 0 | 0 | 0 | 112.6 | F146 I190 G198 A199 E205 T206 R215 V217 V228 | F146-F202 HydrophobicContact CD1-CD1 4.3Å; F146-F202 HydrophobicContact CD1-CE1 4.08Å; F146-F202 AromaticContact CD2-CD1 3.78Å; F146-F202 HydrophobicContact CD2-CD1 3.78Å; F146-F202 HydrophobicContact CD2-CE1 4.17Å; F146-F202 HydrophobicContact CE1-CD1 4.38Å; F146-F202 AromaticContact CE1-CE1 3.82Å; F146-F202 HydrophobicContact CE1-CE1 3.82Å; F146-F202 AromaticContact CE2-CD1 3.88Å; F146-F202 HydrophobicContact CE2-CD1 3.88Å; F146-F202 AromaticContact CE2-CE1 3.92Å; F146-F202 HydrophobicContact CE2-CE1 3.92Å; F146-F202 HydrophobicContact CG-CD1 4.01Å; F146-F202 HydrophobicContact CG-CE1 4.25Å; F146-F202 HydrophobicContact CZ-CD1 4.18Å; F146-F202 AromaticContact CZ-CE1 3.74Å; F146-F202 HydrophobicContact CZ-CE1 3.74Å; I190-F202 HydrophobicContact CD1-CD1 3.81Å; I190-F202 HydrophobicContact CD1-CE1 3.82Å; I190-F202 HydrophobicContact CG1-CE1 4.3Å; I190-F202 HydrophobicContact CG2-CD1 3.97Å; I190-F202 HydrophobicContact CG2-CD2 4.04Å; I190-F202 HydrophobicContact CG2-CE1 4.03Å; I190-F202 HydrophobicContact CG2-CE2 4.1Å; I190-F202 HydrophobicContact CG2-CG 3.96Å; I190-F202 HydrophobicContact CG2-CZ 4.1Å; G198-F202 PolarHBondContact O-N 3.21Å; A199-F202 PolarHBondContact O-N 2.85Å; F202-E205 PolarHBondContact O-N 3.07Å; F202-T206 WeakPolarHBondContact CE2-OG1 3.2Å; F202-T206 WeakPolarHBondContact CZ-OG1 3.23Å; F202-T206 VanDerWaalsContact O-CB 3.28Å; F202-T206 WeakPolarHBondContact O-CB 3.38Å; F202-T206 PolarHBondContact O-N 2.98Å; F202-T206 PolarHBondContact O-OG1 2.7Å; F202-R215 HydrophobicContact CB-CB 4.19Å; F202-R215 HydrophobicContact CD2-CB 3.59Å; F202-R215 HydrophobicContact CE2-CB 4.45Å; F202-R215 HydrophobicContact CG-CB 4.28Å; F202-V217 HydrophobicContact CZ-CB 4.15Å; F202-V228 HydrophobicContact CE1-CG2 4.25Å; F202-V228 HydrophobicContact CZ-CG2 4.18Å |
| 203 | S | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59 | -47 | 174.2 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | W139 F142 G143 A199 L200 L201 T206 Q207 Q231 | W139-S203 WeakPolarHBondContact CA-OG 3.47Å; W139-S203 WeakPolarHBondContact O-CB 3.35Å; W139-S203 PolarHBondContact O-OG 2.89Å; F142-S203 WeakPolarHBondContact CB-OG 3.45Å; G143-S203 PolarHBondContact N-OG 2.89Å; A199-S203 WeakPolarHBondContact O-CB 3.09Å; A199-S203 PolarHBondContact O-N 3.02Å; L200-S203 WeakPolarHBondContact O-CB 3.11Å; L200-S203 PolarHBondContact O-N 2.86Å; L201-S203 VanDerWaalsContact C-N 3.31Å; L201-S203 PolarHBondContact O-N 2.92Å; S203-T206 PolarHBondContact O-N 3.35Å; S203-Q207 WeakPolarHBondContact O-CB 3.38Å; S203-Q207 PolarHBondContact O-N 3.13Å; S203-Q231 PolarHBondContact O-NE2 3.17Å; S203-Q231 PolarHBondContact OG-NE2 2.86Å |
| 204 | M | 96.4 | Very high | 93.6 | Very high | 50 Ų | 50 | 60.8 Ų | 60.8 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.7 | -49.6 | 175.5 | -174.8 | -167.1 | 75.1 | 0 | 0 | 111.4 | W139 L200 L201 T206 Q207 T208 | W139-M204 HydrophobicContact CD2-CB 4.31Å; W139-M204 HydrophobicContact CD2-CG 4.03Å; W139-M204 HydrophobicContact CE3-CG 4.12Å; W139-M204 HydrophobicContact CG-CB 4.41Å; W139-M204 HydrophobicContact CH2-CG 4.32Å; W139-M204 HydrophobicContact CZ2-CG 4.22Å; W139-M204 HydrophobicContact CZ3-CG 4.26Å; W139-M204 HydrophobicContact CZ3-SD 4.43Å; L200-M204 PolarHBondContact O-N 2.97Å; L201-M204 HydrophobicContact CD2-CE 4.34Å; L201-M204 PolarHBondContact O-N 2.99Å; M204-T206 VanDerWaalsContact C-N 3.27Å; M204-T206 PolarHBondContact O-N 3.5Å; M204-Q207 PolarHBondContact O-N 2.71Å; M204-T208 HydrophobicContact CG-CG2 4.3Å; M204-T208 WeakPolarHBondContact O-CB 3.37Å; M204-T208 WeakPolarHBondContact O-CG2 3.26Å; M204-T208 PolarHBondContact O-N 2.78Å; M204-T208 PolarHBondContact O-OG1 2.99Å |
| 205 | E | 95.8 | Very high | 93.9 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.009 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.9 | -38.7 | 178.9 | -73.4 | 168.1 | -131.9 | 0 | 0 | 112.5 | L201 F202 T209 I210 G211 Y212 R215 | L201-E205 WeakPolarHBondContact O-CB 3.41Å; L201-E205 VanDerWaalsContact O-CG 3.25Å; L201-E205 WeakPolarHBondContact O-CG 2.99Å; L201-E205 PolarHBondContact O-N 3.21Å; F202-E205 PolarHBondContact O-N 3.07Å; E205-T209 PolarHBondContact O-N 3.34Å; E205-I210 PolarHBondContact O-N 3.3Å; E205-I210 VanDerWaalsContact O-N 3.13Å; E205-G211 PolarHBondContact O-N 2.73Å; E205-G211 VanDerWaalsContact O-N 3.11Å; E205-Y212 HydrophobicContact CG-CD2 3.64Å; E205-Y212 HydrophobicContact CG-CE2 4.05Å; E205-R215 IonicContact OE1-CZ 2.71Å; E205-R215 IonicContact OE1-NH1 2.83Å; E205-R215 PolarHBondContact OE1-NH1 2.71Å |
| 206 | T | 95.6 | Very high | 94 | Very high | 22 Ų | 22 | 56.7 Ų | 56.7 | 14% | 0.135 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -73.9 | -50.4 | 179.9 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | F202 S203 M204 T209 V228 Q231 | F202-T206 WeakPolarHBondContact CE2-OG1 3.2Å; F202-T206 WeakPolarHBondContact CZ-OG1 3.23Å; F202-T206 VanDerWaalsContact O-CB 3.28Å; F202-T206 WeakPolarHBondContact O-CB 3.38Å; F202-T206 PolarHBondContact O-N 2.98Å; F202-T206 PolarHBondContact O-OG1 2.7Å; S203-T206 PolarHBondContact O-N 3.35Å; M204-T206 VanDerWaalsContact C-N 3.27Å; M204-T206 PolarHBondContact O-N 3.5Å; T206-T209 PolarHBondContact O-N 3.02Å; T206-V228 HydrophobicContact CG2-CG1 3.89Å; T206-V228 HydrophobicContact CG2-CG2 4.32Å; T206-Q231 VanDerWaalsContact CG2-OE1 3.31Å |
| 207 | Q | 96.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -72 | -34.7 | -175.8 | -160.2 | 178.7 | -50.3 | 0 | 0 | 113.2 | S138 S203 M204 T209 Q231 | S138-Q207 PolarHBondContact OG-NE2 2.87Å; S138-Q207 PolarHBondContact OG-OE1 2.75Å; S203-Q207 WeakPolarHBondContact O-CB 3.38Å; S203-Q207 PolarHBondContact O-N 3.13Å; M204-Q207 PolarHBondContact O-N 2.71Å; Q207-T209 PolarHBondContact O-N 3.24Å; Q207-Q231 HydrophobicContact CB-CG 3.94Å; Q207-Q231 HydrophobicContact CG-CG 4.01Å |
| 208 | T | 95.4 | Very high | 93.9 | Very high | 45 Ų | 45 | 50.8 Ų | 50.8 | 28% | 0.276 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -3.5 | 174.9 | 60 | 0 | 0 | 0 | 0 | 113 | W139 M204 I210 | W139-T208 HydrophobicContact CZ2-CG2 3.64Å; M204-T208 HydrophobicContact CG-CG2 4.3Å; M204-T208 WeakPolarHBondContact O-CB 3.37Å; M204-T208 WeakPolarHBondContact O-CG2 3.26Å; M204-T208 PolarHBondContact O-N 2.78Å; M204-T208 PolarHBondContact O-OG1 2.99Å; T208-I210 PolarHBondContact O-N 3.14Å; T208-I210 VanDerWaalsContact O-N 3.13Å; T208-I210 VanDerWaalsContact OG1-CD1 3.3Å; T208-I210 WeakPolarHBondContact OG1-CD1 3.46Å; T208-I210 VanDerWaalsContact OG1-CG1 3.31Å; T208-I210 WeakPolarHBondContact OG1-CG1 3.09Å |
| 209 | T | 95.4 | Very high | 93.8 | Very high | 124 Ų | 124 | 58.6 Ų | 58.6 | 76% | 0.761 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 17.7 | -176.5 | 68.4 | 0 | 0 | 0 | 0 | 115.1 | E205 T206 Q207 | E205-T209 PolarHBondContact O-N 3.34Å; T206-T209 PolarHBondContact O-N 3.02Å; Q207-T209 PolarHBondContact O-N 3.24Å |
| 210 | I | 96.3 | Very high | 93.5 | Very high | 84 Ų | 84 | 63.5 Ų | 63.5 | 43% | 0.431 | 34% | 0.339 | S | S | . | . | trans | -66 | -41.1 | 175.5 | -65.5 | 171.1 | 0 | 0 | 0 | 110.9 | E205 T208 Y212 | E205-I210 PolarHBondContact O-N 3.3Å; E205-I210 VanDerWaalsContact O-N 3.13Å; T208-I210 PolarHBondContact O-N 3.14Å; T208-I210 VanDerWaalsContact O-N 3.13Å; T208-I210 VanDerWaalsContact OG1-CD1 3.3Å; T208-I210 WeakPolarHBondContact OG1-CD1 3.46Å; T208-I210 VanDerWaalsContact OG1-CG1 3.31Å; T208-I210 WeakPolarHBondContact OG1-CG1 3.09Å; I210-Y212 HydrophobicContact CG2-CD1 3.76Å; I210-Y212 HydrophobicContact CG2-CD2 4.2Å; I210-Y212 HydrophobicContact CG2-CE1 3.4Å; I210-Y212 HydrophobicContact CG2-CE2 3.87Å; I210-Y212 HydrophobicContact CG2-CG 4.14Å; I210-Y212 VanDerWaalsContact CG2-CZ 3.45Å; I210-Y212 PolarHBondContact O-N 3.16Å | ||
| 211 | G | 90.9 | Very high | 93.3 | Very high | 50 Ų | 50 | 61.6 Ų | 61.6 | 52% | 0.515 | 33% | 0.329 | S | S | . | . | trans | 44.9 | 61.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | E205 G213 | E205-G211 PolarHBondContact O-N 2.73Å; E205-G211 VanDerWaalsContact O-N 3.11Å; G211-G213 PolarHBondContact O-N 3.14Å | ||
| 212 | Y | 91.8 | Very high | 93.1 | Very high | 157 Ų | 157 | 63.3 Ų | 63.3 | 62% | 0.616 | 34% | 0.344 | S | S | * | . | trans | -57.8 | -11.6 | -177.3 | -65 | -59.4 | 0 | 0 | 0 | 114.9 | E205 I210 W214 | E205-Y212 HydrophobicContact CG-CD2 3.64Å; E205-Y212 HydrophobicContact CG-CE2 4.05Å; I210-Y212 HydrophobicContact CG2-CD1 3.76Å; I210-Y212 HydrophobicContact CG2-CD2 4.2Å; I210-Y212 HydrophobicContact CG2-CE1 3.4Å; I210-Y212 HydrophobicContact CG2-CE2 3.87Å; I210-Y212 HydrophobicContact CG2-CG 4.14Å; I210-Y212 VanDerWaalsContact CG2-CZ 3.45Å; I210-Y212 PolarHBondContact O-N 3.16Å; Y212-W214 PolarHBondContact O-N 3.15Å; Y212-W214 VanDerWaalsContact O-N 3.12Å | ||
| 213 | G | 87.4 | Confident | 93 | Very high | 55 Ų | 55 | 67.9 Ų | 67.9 | 57% | 0.567 | 37% | 0.369 | S | S | * | . | S | Bend | trans | 79.4 | -15 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G211 R215 | G211-G213 PolarHBondContact O-N 3.14Å; G213-R215 VanDerWaalsContact C-N 3.31Å |
| 214 | W | 90.3 | Very high | 92.8 | Very high | 164 Ų | 164 | 67.9 Ų | 67.9 | 62% | 0.621 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -67.2 | -31.4 | 172.7 | -174.5 | -95.7 | 0 | 0 | 0 | 112.7 | H192 Y212 | H192-W214 PolarHBondContact CD2-O 3.29Å; H192-W214 AromaticContact CG-CE2 3.95Å; H192-W214 AromaticContact CG-NE1 3.74Å; H192-W214 AromaticContact ND1-CZ2 3.88Å; Y212-W214 PolarHBondContact O-N 3.15Å; Y212-W214 VanDerWaalsContact O-N 3.12Å |
| 215 | R | 92.2 | Very high | 92.7 | Very high | 54 Ų | 54 | 68.5 Ų | 68.5 | 20% | 0.204 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -112.2 | 122.8 | 171.8 | -61.5 | 177.4 | -175.2 | 85.5 | 10.1 | 107.7 | G198 F202 E205 G213 | G198-R215 WeakPolarHBondContact O-CD 3.34Å; F202-R215 HydrophobicContact CB-CB 4.19Å; F202-R215 HydrophobicContact CD2-CB 3.59Å; F202-R215 HydrophobicContact CE2-CB 4.45Å; F202-R215 HydrophobicContact CG-CB 4.28Å; E205-R215 IonicContact OE1-CZ 2.71Å; E205-R215 IonicContact OE1-NH1 2.83Å; E205-R215 PolarHBondContact OE1-NH1 2.71Å; G213-R215 VanDerWaalsContact C-N 3.31Å |
| 216 | C | 92.1 | Very high | 92.7 | Very high | 61 Ų | 61 | 73 Ų | 73 | 41% | 0.412 | 40% | 0.399 | S | S | . | . | trans | -141.6 | 139.9 | -173.8 | -167 | 0 | 0 | 0 | 0 | 110.4 | I190 L191 | I190-C216 CarbonylContact C-O 3.6Å; I190-C216 WeakPolarHBondContact CA-O 3.43Å; L191-C216 HydrophobicContact CD1-CB 4.37Å; L191-C216 PolarHBondContact N-O 2.97Å | ||
| 217 | V | 94.2 | Very high | 92.7 | Very high | 45 Ų | 45 | 72.5 Ų | 72.5 | 27% | 0.273 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -76 | 143 | 175.3 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | F202 A224 V225 V228 | F202-V217 HydrophobicContact CZ-CB 4.15Å; V217-A224 HydrophobicContact CG2-CB 3.91Å; V217-V225 HydrophobicContact CG2-CG2 4.06Å; V217-V228 HydrophobicContact CB-CG2 4.37Å; V217-V228 HydrophobicContact CG1-CG2 4.37Å; V217-V228 HydrophobicContact CG2-CG2 4.42Å |
| 218 | T | 90.6 | Very high | 92.7 | Very high | 9 Ų | 9 | 73.4 Ų | 73.4 | 6% | 0.055 | 40% | 0.402 | C | S | . | . | trans | -106.9 | 165.1 | 178.4 | 68.6 | 0 | 0 | 0 | 0 | 111.6 | M187 P188 C189 L191 E220 | M187-T218 HydrophobicContact CE-CG2 3.57Å; M187-T218 HydrophobicContact CG-CG2 4Å; M187-T218 HydrophobicContact SD-CG2 4.46Å; P188-T218 WeakPolarHBondContact O-CB 3.32Å; P188-T218 WeakPolarHBondContact O-CG2 3.33Å; P188-T218 PolarHBondContact O-OG1 2.77Å; C189-T218 WeakPolarHBondContact CA-OG1 3.45Å; C189-T218 PolarHBondContact O-N 2.79Å; C189-T218 PolarHBondContact O-OG1 2.62Å; L191-T218 HydrophobicContact CD1-CG2 4.48Å; L191-T218 HydrophobicContact CD2-CG2 4.44Å; L191-T218 HydrophobicContact CG-CG2 4.01Å; T218-E220 VanDerWaalsContact C-N 3.29Å | ||
| 219 | E | 89.7 | Confident | 92.7 | Very high | 175 Ų | 175 | 74.9 Ų | 74.9 | 82% | 0.818 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -9.4 | 178.1 | 60.1 | -169.6 | 151.5 | 0 | 0 | 114.1 | C221 | E219-C221 VanDerWaalsContact C-N 3.29Å; E219-C221 PolarHBondContact O-N 3.46Å |
| 220 | E | 88.8 | Confident | 92.8 | Very high | 104 Ų | 104 | 72.8 Ų | 72.8 | 49% | 0.486 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -33.6 | 179.7 | -65 | -68.6 | 161 | 0 | 0 | 113.5 | M187 T218 P222 | M187-E220 HydrophobicContact CB-CG 3.69Å; M187-E220 HydrophobicContact CG-CG 3.77Å; M187-E220 HydrophobicContact SD-CG 4.16Å; T218-E220 VanDerWaalsContact C-N 3.29Å; E220-P222 WeakPolarHBondContact O-CD 3.33Å |
| 221 | C | 91.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 68.8 Ų | 68.8 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | trans | -120.5 | 90.8 | -169.4 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | C189 E219 L223 A224 V225 | C189-C221 WeakPolarHBondContact CA-SG 3.34Å; C189-C221 HydrophobicContact CB-CB 3.57Å; C189-C221 WeakPolarHBondContact CB-SG 3.36Å; C189-C221 WeakPolarHBondContact SG-CB 3.33Å; C189-C221 CovalentContact SG-SG 2.03Å; C189-C221 PolarHBondContact SG-SG 2.81Å; E219-C221 VanDerWaalsContact C-N 3.29Å; E219-C221 PolarHBondContact O-N 3.46Å; C221-L223 PolarHBondContact O-N 2.99Å; C221-A224 HydrophobicContact CB-CB 3.91Å; C221-A224 WeakPolarHBondContact O-CB 3.34Å; C221-A224 PolarHBondContact O-N 2.78Å; C221-V225 PolarHBondContact O-N 2.85Å | ||
| 222 | P | 92.1 | Very high | 93.1 | Very high | 100 Ų | 100 | 68.8 Ų | 68.8 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -54.7 | -29.9 | 178.7 | -28.3 | 34.8 | 0 | 0 | 0 | 114.1 | E220 V225 L226 | E220-P222 WeakPolarHBondContact O-CD 3.33Å; P222-V225 PolarHBondContact O-N 2.9Å; P222-L226 WeakPolarHBondContact O-CB 3.43Å; P222-L226 PolarHBondContact O-N 2.84Å |
| 223 | L | 92.6 | Very high | 93.4 | Very high | 106 Ų | 106 | 66.1 Ų | 66.1 | 56% | 0.555 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.7 | -34.8 | 175.3 | -175.3 | 59.6 | 0 | 0 | 0 | 112.7 | V149 C221 T227 | V149-L223 HydrophobicContact CG2-CD2 3.88Å; V149-L223 HydrophobicContact CG2-CG 4.02Å; C221-L223 PolarHBondContact O-N 2.99Å; L223-T227 WeakPolarHBondContact O-CB 3.34Å; L223-T227 PolarHBondContact O-N 2.6Å; L223-T227 PolarHBondContact O-OG1 3.19Å |
| 224 | A | 92.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | V149 C189 V217 C221 L226 T227 V228 | V149-A224 HydrophobicContact CG1-CB 4.19Å; C189-A224 HydrophobicContact CB-CB 4.26Å; V217-A224 HydrophobicContact CG2-CB 3.91Å; C221-A224 HydrophobicContact CB-CB 3.91Å; C221-A224 WeakPolarHBondContact O-CB 3.34Å; C221-A224 PolarHBondContact O-N 2.78Å; A224-L226 PolarHBondContact O-N 2.78Å; A224-T227 WeakPolarHBondContact O-CB 3.18Å; A224-T227 PolarHBondContact O-N 3.06Å; A224-V228 WeakPolarHBondContact O-CG2 3.35Å; A224-V228 PolarHBondContact O-N 2.96Å |
| 225 | V | 94.8 | Very high | 94.1 | Very high | 63 Ų | 63 | 58 Ų | 58 | 38% | 0.382 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 175.1 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | V217 C221 P222 T227 V228 V229 | V217-V225 HydrophobicContact CG2-CG2 4.06Å; C221-V225 PolarHBondContact O-N 2.85Å; P222-V225 PolarHBondContact O-N 2.9Å; V225-T227 VanDerWaalsContact C-N 3.32Å; V225-T227 PolarHBondContact O-N 3.21Å; V225-V228 PolarHBondContact O-N 2.78Å; V225-V229 WeakPolarHBondContact O-CG2 3.33Å; V225-V229 PolarHBondContact O-N 2.76Å |
| 226 | L | 95.4 | Very high | 94.3 | Very high | 96 Ų | 96 | 59.2 Ų | 59.2 | 50% | 0.503 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -38.4 | 176.2 | -179.2 | 61.5 | 0 | 0 | 0 | 112.2 | P222 A224 V229 I230 | P222-L226 WeakPolarHBondContact O-CB 3.43Å; P222-L226 PolarHBondContact O-N 2.84Å; A224-L226 PolarHBondContact O-N 2.78Å; L226-V229 PolarHBondContact O-N 2.69Å; L226-I230 HydrophobicContact CD1-CD1 4.11Å; L226-I230 HydrophobicContact CD1-CG1 4.33Å; L226-I230 HydrophobicContact CG-CD1 3.93Å; L226-I230 WeakPolarHBondContact O-CG1 3.45Å; L226-I230 PolarHBondContact O-N 2.85Å |
| 227 | T | 95.1 | Very high | 94.5 | Very high | 11 Ų | 11 | 61.4 Ų | 61.4 | 7% | 0.067 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.7 | -42 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | F142 I145 F146 L223 A224 V225 I230 Q231 | F142-T227 HydrophobicContact CD1-CG2 3.92Å; F142-T227 HydrophobicContact CE1-CG2 4.4Å; I145-T227 HydrophobicContact CB-CG2 4.35Å; I145-T227 HydrophobicContact CG2-CG2 3.63Å; F146-T227 HydrophobicContact CD1-CG2 3.99Å; F146-T227 HydrophobicContact CE1-CG2 3.45Å; F146-T227 VanDerWaalsContact CE1-CG2 3.45Å; F146-T227 HydrophobicContact CE2-CG2 4.41Å; F146-T227 HydrophobicContact CZ-CG2 3.69Å; L223-T227 WeakPolarHBondContact O-CB 3.34Å; L223-T227 PolarHBondContact O-N 2.6Å; L223-T227 PolarHBondContact O-OG1 3.19Å; A224-T227 WeakPolarHBondContact O-CB 3.18Å; A224-T227 PolarHBondContact O-N 3.06Å; V225-T227 VanDerWaalsContact C-N 3.32Å; V225-T227 PolarHBondContact O-N 3.21Å; T227-I230 PolarHBondContact O-N 3.46Å; T227-Q231 VanDerWaalsContact O-CB 3.27Å; T227-Q231 WeakPolarHBondContact O-CB 3.25Å; T227-Q231 PolarHBondContact O-N 2.81Å |
| 228 | V | 96.4 | Very high | 94.5 | Very high | 28 Ų | 28 | 60.5 Ų | 60.5 | 17% | 0.17 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.4 | -47.6 | 173.3 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | F146 F202 T206 V217 A224 V225 I230 Q231 S232 | F146-V228 HydrophobicContact CE1-CG2 3.9Å; F146-V228 HydrophobicContact CZ-CG2 3.85Å; F202-V228 HydrophobicContact CE1-CG2 4.25Å; F202-V228 HydrophobicContact CZ-CG2 4.18Å; T206-V228 HydrophobicContact CG2-CG1 3.89Å; T206-V228 HydrophobicContact CG2-CG2 4.32Å; V217-V228 HydrophobicContact CB-CG2 4.37Å; V217-V228 HydrophobicContact CG1-CG2 4.37Å; V217-V228 HydrophobicContact CG2-CG2 4.42Å; A224-V228 WeakPolarHBondContact O-CG2 3.35Å; A224-V228 PolarHBondContact O-N 2.96Å; V225-V228 PolarHBondContact O-N 2.78Å; V228-I230 PolarHBondContact O-N 2.81Å; V228-Q231 PolarHBondContact O-N 2.92Å; V228-S232 PolarHBondContact O-N 2.72Å; V228-S232 PolarHBondContact O-OG 3.49Å |
| 229 | V | 96.8 | Very high | 94.8 | Very high | 75 Ų | 75 | 62.6 Ų | 62.6 | 46% | 0.455 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 178.4 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | V225 L226 Q231 S232 I233 | V225-V229 WeakPolarHBondContact O-CG2 3.33Å; V225-V229 PolarHBondContact O-N 2.76Å; L226-V229 PolarHBondContact O-N 2.69Å; V229-Q231 VanDerWaalsContact C-N 3.34Å; V229-Q231 PolarHBondContact O-N 2.82Å; V229-S232 PolarHBondContact O-N 3.21Å; V229-I233 HydrophobicContact CG1-CD1 4.13Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.37Å; V229-I233 VanDerWaalsContact O-N 3.17Å |
| 230 | I | 96.9 | Very high | 95 | Very high | 81 Ų | 81 | 58.1 Ų | 58.1 | 42% | 0.415 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 177.2 | -67.6 | 168.9 | 0 | 0 | 0 | 110.6 | F142 L226 T227 V228 I233 V234 | F142-I230 HydrophobicContact CE1-CG2 4.22Å; F142-I230 HydrophobicContact CZ-CG2 4.27Å; L226-I230 HydrophobicContact CD1-CD1 4.11Å; L226-I230 HydrophobicContact CD1-CG1 4.33Å; L226-I230 HydrophobicContact CG-CD1 3.93Å; L226-I230 WeakPolarHBondContact O-CG1 3.45Å; L226-I230 PolarHBondContact O-N 2.85Å; T227-I230 PolarHBondContact O-N 3.46Å; V228-I230 PolarHBondContact O-N 2.81Å; I230-I233 PolarHBondContact O-N 2.93Å; I230-V234 HydrophobicContact CG2-CG2 4.38Å; I230-V234 WeakPolarHBondContact O-CG2 3.32Å; I230-V234 PolarHBondContact O-N 3.47Å |
| 231 | Q | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.9 | -43.1 | 177.8 | -176.6 | 172.3 | 37.2 | 0 | 0 | 112.4 | F142 S203 T206 Q207 T227 V228 V229 I233 V234 G235 | F142-Q231 HydrophobicContact CB-CG 4.4Å; F142-Q231 HydrophobicContact CD1-CB 3.8Å; F142-Q231 HydrophobicContact CD1-CG 4.11Å; F142-Q231 HydrophobicContact CD2-CB 4.18Å; F142-Q231 HydrophobicContact CD2-CG 3.68Å; F142-Q231 HydrophobicContact CE1-CB 3.72Å; F142-Q231 HydrophobicContact CE1-CG 4.31Å; F142-Q231 HydrophobicContact CE2-CB 4.11Å; F142-Q231 HydrophobicContact CE2-CG 3.91Å; F142-Q231 HydrophobicContact CG-CB 4.04Å; F142-Q231 HydrophobicContact CG-CG 3.81Å; F142-Q231 HydrophobicContact CZ-CB 3.89Å; F142-Q231 HydrophobicContact CZ-CG 4.22Å; S203-Q231 PolarHBondContact O-NE2 3.17Å; S203-Q231 PolarHBondContact OG-NE2 2.86Å; T206-Q231 VanDerWaalsContact CG2-OE1 3.31Å; Q207-Q231 HydrophobicContact CB-CG 3.94Å; Q207-Q231 HydrophobicContact CG-CG 4.01Å; T227-Q231 VanDerWaalsContact O-CB 3.27Å; T227-Q231 WeakPolarHBondContact O-CB 3.25Å; T227-Q231 PolarHBondContact O-N 2.81Å; V228-Q231 PolarHBondContact O-N 2.92Å; V229-Q231 VanDerWaalsContact C-N 3.34Å; V229-Q231 PolarHBondContact O-N 2.82Å; Q231-I233 PolarHBondContact O-N 2.9Å; Q231-V234 PolarHBondContact O-N 3.07Å; Q231-G235 PolarHBondContact O-N 3.02Å |
| 232 | S | 96.5 | Very high | 95.4 | Very high | 50 Ų | 50 | 59.2 Ų | 59.2 | 35% | 0.35 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.8 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | V228 V229 G235 C236 | V228-S232 PolarHBondContact O-N 2.72Å; V228-S232 PolarHBondContact O-OG 3.49Å; V229-S232 PolarHBondContact O-N 3.21Å; S232-G235 PolarHBondContact O-N 2.96Å; S232-C236 PolarHBondContact O-N 3.43Å; S232-C236 PolarHBondContact O-SG 2.8Å |
| 233 | I | 97.1 | Very high | 95.5 | Very high | 100 Ų | 100 | 59.4 Ų | 59.4 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 177.1 | -65.8 | 165.7 | 0 | 0 | 0 | 110.9 | V229 I230 Q231 C236 I237 | V229-I233 HydrophobicContact CG1-CD1 4.13Å; V229-I233 WeakPolarHBondContact O-CG1 3.34Å; V229-I233 PolarHBondContact O-N 3.37Å; V229-I233 VanDerWaalsContact O-N 3.17Å; I230-I233 PolarHBondContact O-N 2.93Å; Q231-I233 PolarHBondContact O-N 2.9Å; I233-C236 PolarHBondContact O-N 2.92Å; I233-I237 HydrophobicContact CG2-CD1 3.97Å; I233-I237 WeakPolarHBondContact O-CG1 3.34Å; I233-I237 PolarHBondContact O-N 2.94Å; I233-I237 VanDerWaalsContact O-N 3.13Å |
| 234 | V | 96.4 | Very high | 95.6 | Very high | 49 Ų | 49 | 56 Ų | 56 | 30% | 0.297 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | F142 I230 Q231 I237 I238 | F142-V234 HydrophobicContact CE2-CB 4.21Å; F142-V234 HydrophobicContact CE2-CG1 4.06Å; F142-V234 HydrophobicContact CZ-CB 4.19Å; F142-V234 HydrophobicContact CZ-CG1 4.44Å; F142-V234 HydrophobicContact CZ-CG2 4.24Å; I230-V234 HydrophobicContact CG2-CG2 4.38Å; I230-V234 WeakPolarHBondContact O-CG2 3.32Å; I230-V234 PolarHBondContact O-N 3.47Å; Q231-V234 PolarHBondContact O-N 3.07Å; V234-I237 PolarHBondContact O-N 3.15Å; V234-I238 HydrophobicContact CG1-CD1 3.85Å; V234-I238 HydrophobicContact CG1-CG1 4.44Å; V234-I238 WeakPolarHBondContact O-CG1 3.42Å; V234-I238 PolarHBondContact O-N 3.36Å |
| 235 | G | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.1 | -55.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q231 S232 I237 I238 D239 | Q231-G235 PolarHBondContact O-N 3.02Å; S232-G235 PolarHBondContact O-N 2.96Å; G235-I237 VanDerWaalsContact C-N 3.26Å; G235-I237 PolarHBondContact O-N 3.45Å; G235-I238 PolarHBondContact O-N 2.98Å; G235-I238 VanDerWaalsContact O-N 3.08Å; G235-D239 PolarHBondContact O-N 3.45Å |
| 236 | C | 96.8 | Very high | 95.5 | Very high | 78 Ų | 78 | 55 Ų | 55 | 53% | 0.527 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.4 | -34.3 | 178.2 | -63.9 | 0 | 0 | 0 | 0 | 113.4 | S232 I233 S240 | S232-C236 PolarHBondContact O-N 3.43Å; S232-C236 PolarHBondContact O-SG 2.8Å; I233-C236 PolarHBondContact O-N 2.92Å; C236-S240 VanDerWaalsContact O-CB 3.25Å; C236-S240 WeakPolarHBondContact O-CB 3.22Å; C236-S240 PolarHBondContact O-N 3.08Å; C236-S240 PolarHBondContact O-OG 2.83Å |
| 237 | I | 96.3 | Very high | 95.3 | Very high | 108 Ų | 108 | 56.6 Ų | 56.6 | 55% | 0.554 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -67.5 | -45.5 | 175.5 | -68.9 | 165.7 | 0 | 0 | 0 | 111.1 | I233 V234 G235 S240 F241 | I233-I237 HydrophobicContact CG2-CD1 3.97Å; I233-I237 WeakPolarHBondContact O-CG1 3.34Å; I233-I237 PolarHBondContact O-N 2.94Å; I233-I237 VanDerWaalsContact O-N 3.13Å; V234-I237 PolarHBondContact O-N 3.15Å; G235-I237 VanDerWaalsContact C-N 3.26Å; G235-I237 PolarHBondContact O-N 3.45Å; I237-S240 PolarHBondContact O-N 2.86Å; I237-F241 WeakPolarHBondContact O-CB 3.36Å; I237-F241 PolarHBondContact O-N 2.76Å |
| 238 | I | 95 | Very high | 95.1 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 178.2 | -65.4 | 167.9 | 0 | 0 | 0 | 110.3 | F135 V234 G235 F241 M242 | F135-I238 HydrophobicContact CD1-CG2 4.09Å; F135-I238 HydrophobicContact CE1-CB 4.42Å; F135-I238 HydrophobicContact CE1-CG2 3.59Å; F135-I238 HydrophobicContact CE2-CG2 4.23Å; F135-I238 HydrophobicContact CZ-CG2 3.66Å; V234-I238 HydrophobicContact CG1-CD1 3.85Å; V234-I238 HydrophobicContact CG1-CG1 4.44Å; V234-I238 WeakPolarHBondContact O-CG1 3.42Å; V234-I238 PolarHBondContact O-N 3.36Å; G235-I238 PolarHBondContact O-N 2.98Å; G235-I238 VanDerWaalsContact O-N 3.08Å; I238-F241 PolarHBondContact O-N 2.93Å; I238-M242 WeakPolarHBondContact O-CB 3.42Å; I238-M242 PolarHBondContact O-N 3.11Å |
| 239 | D | 95.1 | Very high | 94.9 | Very high | 53 Ų | 53 | 57 Ų | 57 | 28% | 0.283 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 178.1 | -69.5 | -30 | 0 | 0 | 0 | 111.9 | F135 G235 F241 M242 I243 | F135-D239 VanDerWaalsContact CE1-OD1 3.31Å; F135-D239 WeakPolarHBondContact CE1-OD1 3.34Å; F135-D239 WeakPolarHBondContact CZ-OD1 3.46Å; G235-D239 PolarHBondContact O-N 3.45Å; D239-F241 VanDerWaalsContact C-N 3.35Å; D239-F241 PolarHBondContact O-N 3.2Å; D239-M242 PolarHBondContact O-N 2.87Å; D239-I243 WeakPolarHBondContact O-CG1 3.17Å; D239-I243 PolarHBondContact O-N 2.83Å |
| 240 | S | 95.3 | Very high | 94.4 | Very high | 81 Ų | 81 | 60.1 Ų | 60.1 | 57% | 0.566 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.9 | -43.4 | 177 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | C236 I237 G244 | C236-S240 VanDerWaalsContact O-CB 3.25Å; C236-S240 WeakPolarHBondContact O-CB 3.22Å; C236-S240 PolarHBondContact O-N 3.08Å; C236-S240 PolarHBondContact O-OG 2.83Å; I237-S240 PolarHBondContact O-N 2.86Å; S240-G244 PolarHBondContact O-N 3.42Å |
| 241 | F | 93.3 | Very high | 93.9 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 40% | 0.399 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.1 | -36.4 | 177.2 | -170.9 | -108.5 | 0 | 0 | 0 | 112.1 | F116 F131 I237 I238 D239 T245 | F116-F241 HydrophobicContact CD2-CE2 4.32Å; F131-F241 AromaticContact CE1-CD1 3.85Å; F131-F241 HydrophobicContact CE1-CD1 3.85Å; F131-F241 HydrophobicContact CE1-CE1 4.32Å; F131-F241 HydrophobicContact CZ-CD1 4.18Å; F131-F241 HydrophobicContact CZ-CE1 4.36Å; I237-F241 WeakPolarHBondContact O-CB 3.36Å; I237-F241 PolarHBondContact O-N 2.76Å; I238-F241 PolarHBondContact O-N 2.93Å; D239-F241 VanDerWaalsContact C-N 3.35Å; D239-F241 PolarHBondContact O-N 3.2Å; F241-T245 VanDerWaalsContact O-CB 3.23Å; F241-T245 WeakPolarHBondContact O-CB 3.31Å; F241-T245 PolarHBondContact O-N 3.1Å; F241-T245 PolarHBondContact O-OG1 3.12Å |
| 242 | M | 94.3 | Very high | 93.2 | Very high | 47 Ų | 47 | 61.5 Ų | 61.5 | 23% | 0.232 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.1 | -55.8 | 173.1 | -179.6 | -178.3 | 61.3 | 0 | 0 | 111.6 | F131 F135 I238 D239 G244 T245 I246 | F131-M242 HydrophobicContact CB-SD 4.47Å; F131-M242 HydrophobicContact CD1-CB 3.8Å; F131-M242 HydrophobicContact CD1-CG 3.99Å; F131-M242 HydrophobicContact CD2-CG 4.06Å; F131-M242 VanDerWaalsContact CE1-CA 3.46Å; F131-M242 HydrophobicContact CE1-CB 3.73Å; F131-M242 HydrophobicContact CE1-CG 4.21Å; F131-M242 HydrophobicContact CE2-CG 4.24Å; F131-M242 HydrophobicContact CG-CB 4.29Å; F131-M242 HydrophobicContact CG-CG 3.95Å; F131-M242 HydrophobicContact CG-SD 4.46Å; F131-M242 HydrophobicContact CZ-CB 4.15Å; F131-M242 HydrophobicContact CZ-CG 4.36Å; F135-M242 HydrophobicContact CE2-CE 4.19Å; F135-M242 HydrophobicContact CE2-SD 3.68Å; F135-M242 HydrophobicContact CZ-CE 4.04Å; F135-M242 HydrophobicContact CZ-SD 4.1Å; I238-M242 WeakPolarHBondContact O-CB 3.42Å; I238-M242 PolarHBondContact O-N 3.11Å; D239-M242 PolarHBondContact O-N 2.87Å; M242-G244 PolarHBondContact O-N 2.99Å; M242-T245 PolarHBondContact O-N 3.43Å; M242-I246 HydrophobicContact CG-CD1 3.57Å; M242-I246 HydrophobicContact CG-CG1 4.34Å; M242-I246 WeakPolarHBondContact O-CB 3.42Å; M242-I246 VanDerWaalsContact O-CG1 3.27Å; M242-I246 WeakPolarHBondContact O-CG1 3.25Å; M242-I246 PolarHBondContact O-N 3.43Å; M242-I246 HydrophobicContact SD-CD1 4.26Å |
| 243 | I | 94.9 | Very high | 92 | Very high | 105 Ų | 105 | 60.3 Ų | 60.3 | 54% | 0.538 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | -177.9 | -66.5 | 167.6 | 0 | 0 | 0 | 110.2 | D239 T245 I246 M247 | D239-I243 WeakPolarHBondContact O-CG1 3.17Å; D239-I243 PolarHBondContact O-N 2.83Å; I243-T245 PolarHBondContact O-N 3.36Å; I243-I246 PolarHBondContact O-N 3.23Å; I243-M247 VanDerWaalsContact O-CB 3.29Å; I243-M247 WeakPolarHBondContact O-CB 3.47Å; I243-M247 PolarHBondContact O-N 2.92Å |
| 244 | G | 94.3 | Very high | 90.7 | Very high | 34 Ų | 34 | 61.1 Ų | 61.1 | 35% | 0.351 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S240 M242 A248 | S240-G244 PolarHBondContact O-N 3.42Å; M242-G244 PolarHBondContact O-N 2.99Å; G244-A248 VanDerWaalsContact O-CB 3.25Å; G244-A248 WeakPolarHBondContact O-CB 3.41Å; G244-A248 PolarHBondContact O-N 3.1Å |
| 245 | T | 92.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.7 | -39.8 | 179.5 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | C119 V120 L127 F131 F241 M242 I243 K249 | C119-T245 HydrophobicContact CB-CG2 3.96Å; V120-T245 HydrophobicContact CG2-CG2 3.91Å; L127-T245 HydrophobicContact CD1-CG2 3.91Å; L127-T245 HydrophobicContact CD2-CG2 4.08Å; F131-T245 HydrophobicContact CE2-CG2 4.32Å; F131-T245 HydrophobicContact CZ-CG2 4.19Å; F241-T245 VanDerWaalsContact O-CB 3.23Å; F241-T245 WeakPolarHBondContact O-CB 3.31Å; F241-T245 PolarHBondContact O-N 3.1Å; F241-T245 PolarHBondContact O-OG1 3.12Å; M242-T245 PolarHBondContact O-N 3.43Å; I243-T245 PolarHBondContact O-N 3.36Å; T245-K249 VanDerWaalsContact O-CB 3.27Å; T245-K249 WeakPolarHBondContact O-CB 3.49Å; T245-K249 PolarHBondContact O-N 3.22Å |
| 246 | I | 93.4 | Very high | 88 | Confident | 40 Ų | 40 | 67.5 Ų | 67.5 | 21% | 0.205 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.7 | -47.7 | 176.4 | -70.2 | 175.3 | 0 | 0 | 0 | 110.3 | W124 F131 M242 I243 K249 M250 | W124-I246 HydrophobicContact CH2-CG2 4.32Å; W124-I246 HydrophobicContact CZ3-CG2 4.4Å; F131-I246 HydrophobicContact CE2-CG1 4.46Å; M242-I246 HydrophobicContact CG-CD1 3.57Å; M242-I246 HydrophobicContact CG-CG1 4.34Å; M242-I246 WeakPolarHBondContact O-CB 3.42Å; M242-I246 VanDerWaalsContact O-CG1 3.27Å; M242-I246 WeakPolarHBondContact O-CG1 3.25Å; M242-I246 PolarHBondContact O-N 3.43Å; M242-I246 HydrophobicContact SD-CD1 4.26Å; I243-I246 PolarHBondContact O-N 3.23Å; I246-K249 PolarHBondContact O-N 3.09Å; I246-M250 HydrophobicContact CG2-CG 4.36Å; I246-M250 HydrophobicContact CG2-SD 3.82Å; I246-M250 WeakPolarHBondContact O-CG 3.49Å; I246-M250 PolarHBondContact O-N 2.95Å |
| 247 | M | 91.8 | Very high | 86.5 | Confident | 131 Ų | 131 | 67 Ų | 67 | 65% | 0.645 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.6 | -51.5 | 176.9 | -174.4 | -145.5 | -84.6 | 0 | 0 | 111 | I243 K249 M250 A251 | I243-M247 VanDerWaalsContact O-CB 3.29Å; I243-M247 WeakPolarHBondContact O-CB 3.47Å; I243-M247 PolarHBondContact O-N 2.92Å; M247-K249 PolarHBondContact O-N 3.37Å; M247-M250 PolarHBondContact O-N 3.27Å; M247-M250 VanDerWaalsContact O-N 3.11Å; M247-A251 WeakPolarHBondContact O-CB 2.99Å; M247-A251 PolarHBondContact O-N 3.43Å |
| 248 | A | 90.3 | Very high | 85.5 | Confident | 29 Ų | 29 | 69.4 Ų | 69.4 | 24% | 0.24 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.3 | -36.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F116 V120 G244 R252 | F116-A248 HydrophobicContact CZ-CB 3.88Å; V120-A248 HydrophobicContact CG1-CB 4.49Å; V120-A248 HydrophobicContact CG2-CB 4.22Å; G244-A248 VanDerWaalsContact O-CB 3.25Å; G244-A248 WeakPolarHBondContact O-CB 3.41Å; G244-A248 PolarHBondContact O-N 3.1Å; A248-R252 VanDerWaalsContact O-CG 3.25Å; A248-R252 WeakPolarHBondContact O-CG 3.37Å; A248-R252 PolarHBondContact O-N 3.36Å |
| 249 | K | 91.1 | Very high | 85 | Confident | 19 Ų | 19 | 69.2 Ų | 69.2 | 8% | 0.083 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.9 | -36 | 176.7 | -165.2 | -179.6 | -160.2 | 78.2 | 0 | 113.7 | C119 V120 I122 W124 L127 T245 I246 M247 | C119-K249 PolarHBondContact O-NZ 3.4Å; V120-K249 HydrophobicContact CG1-CB 4.01Å; V120-K249 HydrophobicContact CG1-CG 4.35Å; V120-K249 PolarHBondContact O-NZ 2.86Å; I122-K249 WeakPolarHBondContact O-CE 3.26Å; I122-K249 PolarHBondContact O-NZ 3.07Å; W124-K249 HydrophobicContact CD2-CD 3.83Å; W124-K249 HydrophobicContact CE3-CD 3.91Å; W124-K249 HydrophobicContact CH2-CB 4.06Å; W124-K249 HydrophobicContact CH2-CD 3.69Å; W124-K249 HydrophobicContact CH2-CG 4Å; W124-K249 HydrophobicContact CZ2-CB 4.13Å; W124-K249 HydrophobicContact CZ2-CD 3.6Å; W124-K249 HydrophobicContact CZ2-CG 3.67Å; W124-K249 HydrophobicContact CZ3-CD 3.84Å; L127-K249 HydrophobicContact CD2-CD 3.42Å; L127-K249 VanDerWaalsContact CD2-CD 3.42Å; T245-K249 VanDerWaalsContact O-CB 3.27Å; T245-K249 WeakPolarHBondContact O-CB 3.49Å; T245-K249 PolarHBondContact O-N 3.22Å; I246-K249 PolarHBondContact O-N 3.09Å; M247-K249 PolarHBondContact O-N 3.37Å |
| 250 | M | 87.8 | Confident | 84.8 | Confident | 139 Ų | 139 | 67.4 Ų | 67.4 | 69% | 0.685 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -68.8 | -39 | 174.8 | -73.4 | 178 | 61.7 | 0 | 0 | 111.7 | W124 I246 M247 R252 | W124-M250 HydrophobicContact CH2-CG 3.79Å; W124-M250 HydrophobicContact CZ2-CG 4.07Å; I246-M250 HydrophobicContact CG2-CG 4.36Å; I246-M250 HydrophobicContact CG2-SD 3.82Å; I246-M250 WeakPolarHBondContact O-CG 3.49Å; I246-M250 PolarHBondContact O-N 2.95Å; M247-M250 PolarHBondContact O-N 3.27Å; M247-M250 VanDerWaalsContact O-N 3.11Å; M250-R252 VanDerWaalsContact C-N 3.28Å; M250-R252 PolarHBondContact O-N 3.46Å |
| 251 | A | 85.7 | Confident | 84.6 | Confident | 41 Ų | 41 | 66 Ų | 66 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.2 | -26.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M247 M374 | M247-A251 WeakPolarHBondContact O-CB 2.99Å; M247-A251 PolarHBondContact O-N 3.43Å; A251-M374 HydrophobicContact CB-SD 4.27Å; A251-M374 VanDerWaalsContact O-SD 3.42Å |
| 252 | R | 81.7 | Confident | 84.8 | Confident | 70 Ų | 70 | 63 Ų | 63 | 26% | 0.264 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -59.4 | 124.3 | -177.5 | -71.6 | -140.1 | -176.2 | 172.1 | 19.1 | 111.8 | V120 D121 A248 M250 K254 | V120-R252 HydrophobicContact CG1-CG 4.11Å; D121-R252 IonicContact OD1-CZ 3.77Å; D121-R252 IonicContact OD1-NH1 2.96Å; D121-R252 PolarHBondContact OD1-NH1 2.84Å; D121-R252 IonicContact OD2-CZ 3.64Å; D121-R252 IonicContact OD2-NH1 3.7Å; D121-R252 PolarHBondContact OD2-NH1 2.8Å; D121-R252 IonicContact OD2-NH2 3.7Å; D121-R252 PolarHBondContact OD2-NH2 2.96Å; A248-R252 VanDerWaalsContact O-CG 3.25Å; A248-R252 WeakPolarHBondContact O-CG 3.37Å; A248-R252 PolarHBondContact O-N 3.36Å; M250-R252 VanDerWaalsContact C-N 3.28Å; M250-R252 PolarHBondContact O-N 3.46Å; R252-K254 PolarHBondContact O-N 2.83Å |
| 253 | P | 72.2 | Confident | 84.9 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 16% | 0.156 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -73.7 | 21.4 | -172.3 | 29.9 | -36.9 | 0 | 0 | 0 | 115.5 | K255 R256 V369 M374 | P253-K255 PolarHBondContact O-N 3.16Å; P253-R256 HydrophobicContact CB-CB 4.28Å; P253-R256 WeakPolarHBondContact O-CB 3.02Å; P253-R256 PolarHBondContact O-N 2.71Å; P253-V369 HydrophobicContact CB-CG2 3.65Å; P253-V369 HydrophobicContact CG-CG2 4.4Å; P253-M374 HydrophobicContact CG-CB 4.21Å |
| 254 | K | 69.3 | Low | 85 | Confident | 117 Ų | 117 | 62 Ų | 62 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -55.5 | -26.6 | -175.4 | -71.5 | -174.4 | 177.7 | 178.5 | 0 | 114.2 | D121 R252 | D121-K254 IonicContact OD1-NZ 3.33Å; D121-K254 PolarHBondContact OD1-NZ 3.16Å; R252-K254 PolarHBondContact O-N 2.83Å |
| 255 | K | 66.3 | Low | 85.2 | Confident | 168 Ų | 168 | 61.8 Ų | 61.8 | 73% | 0.73 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -78.9 | -19.8 | 174.3 | -70.2 | -171.8 | 178.5 | -178.5 | 0 | 113.7 | P253 N257 Q258 | P253-K255 PolarHBondContact O-N 3.16Å; K255-N257 PolarHBondContact O-N 3.04Å; K255-Q258 PolarHBondContact O-N 2.66Å |
| 256 | R | 69.8 | Low | 85.4 | Confident | 17 Ų | 17 | 61.8 Ų | 61.8 | 6% | 0.064 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -64.8 | -26.5 | 176.6 | -165.5 | 75.9 | -176.8 | -170.4 | 1.6 | 111.5 | P253 Q258 T259 S287 H288 I289 V369 F378 | P253-R256 HydrophobicContact CB-CB 4.28Å; P253-R256 WeakPolarHBondContact O-CB 3.02Å; P253-R256 PolarHBondContact O-N 2.71Å; R256-Q258 PolarHBondContact O-N 2.95Å; R256-T259 PolarHBondContact O-N 3.38Å; R256-T259 PolarHBondContact O-OG1 3.45Å; R256-S287 PolarHBondContact NH1-OG 3.19Å; R256-S287 PolarHBondContact NH2-O 3.22Å; R256-H288 PolarHBondContact NH2-O 3.06Å; R256-I289 HydrophobicContact CG-CD1 4.48Å; R256-V369 HydrophobicContact CB-CG2 4.34Å; R256-V369 HydrophobicContact CG-CG2 3.97Å; R256-F378 HydrophobicContact CB-CE1 4.31Å; R256-F378 HydrophobicContact CB-CZ 4.3Å; R256-F378 HydrophobicContact CG-CE1 4.34Å; R256-F378 HydrophobicContact CG-CZ 3.97Å |
| 257 | N | 66.4 | Low | 85.6 | Confident | 68 Ų | 68 | 59.9 Ų | 59.9 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -61.8 | -13.8 | 176.2 | -63.6 | 62.6 | 0 | 0 | 0 | 114.2 | K255 Q377 F378 | K255-N257 PolarHBondContact O-N 3.04Å; N257-Q377 PolarHBondContact ND2-O 3.4Å; N257-F378 VanDerWaalsContact CA-CE1 3.47Å; N257-F378 HydrophobicContact CB-CD1 3.94Å; N257-F378 HydrophobicContact CB-CE1 4.01Å; N257-F378 VanDerWaalsContact CG-CE1 3.47Å; N257-F378 WeakPolarHBondContact ND2-CD1 3.44Å; N257-F378 WeakPolarHBondContact OD1-CE1 3.31Å |
| 258 | Q | 75.1 | Confident | 85.9 | Confident | 157 Ų | 157 | 53.7 Ų | 53.7 | 73% | 0.734 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -93.2 | -8.4 | 174.8 | -62.5 | 175.5 | -22.3 | 0 | 0 | 112.9 | K255 R256 | K255-Q258 PolarHBondContact O-N 2.66Å; R256-Q258 PolarHBondContact O-N 2.95Å |
| 259 | T | 84.3 | Confident | 86.2 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 14% | 0.135 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -112 | 1.9 | -174.9 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | R256 L284 R285 | R256-T259 PolarHBondContact O-N 3.38Å; R256-T259 PolarHBondContact O-OG1 3.45Å; T259-L284 WeakPolarHBondContact O-CB 3.06Å; T259-L284 PolarHBondContact O-N 3.39Å; T259-R285 HydrophobicContact CG2-CG 4.04Å |
| 260 | L | 90.4 | Very high | 86.4 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 140.4 | 166.1 | -75 | 158.7 | 0 | 0 | 0 | 108.6 | G282 N283 I289 L330 L365 F378 | L260-G282 WeakPolarHBondContact CA-O 3.34Å; L260-N283 HydrophobicContact CD2-CB 3.85Å; L260-I289 HydrophobicContact CD1-CD1 3.87Å; L260-I289 HydrophobicContact CD1-CG1 4.05Å; L260-I289 HydrophobicContact CD2-CG1 4.1Å; L260-L330 HydrophobicContact CD2-CD2 3.79Å; L260-L365 HydrophobicContact CD1-CD2 4.16Å; L260-L365 HydrophobicContact CD2-CD2 4.02Å; L260-F378 HydrophobicContact CB-CG 4.46Å; L260-F378 HydrophobicContact CD1-CD1 4Å; L260-F378 HydrophobicContact CD1-CD2 3.35Å; L260-F378 HydrophobicContact CD1-CE1 3.8Å; L260-F378 HydrophobicContact CD1-CE2 3.11Å; L260-F378 HydrophobicContact CD1-CG 3.78Å; L260-F378 HydrophobicContact CD1-CZ 3.34Å |
| 261 | M | 92.1 | Very high | 86.6 | Confident | 53 Ų | 53 | 52 Ų | 52 | 26% | 0.261 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 138.7 | -174.5 | -67.4 | -173.1 | 70.5 | 0 | 0 | 111.2 | V281 G282 L284 F411 H412 | M261-V281 CarbonylContact O-C 3.58Å; M261-V281 WeakPolarHBondContact O-CA 3.43Å; M261-G282 PolarHBondContact N-O 2.81Å; M261-G282 PolarHBondContact O-N 3Å; M261-L284 HydrophobicContact CG-CD1 3.87Å; M261-L284 HydrophobicContact CG-CG 4.06Å; M261-L284 HydrophobicContact SD-CD1 3.65Å; M261-L284 HydrophobicContact SD-CD2 3.74Å; M261-L284 HydrophobicContact SD-CG 3.85Å; M261-F411 HydrophobicContact CB-CE1 3.86Å; M261-F411 HydrophobicContact CB-CZ 3.9Å; M261-F411 HydrophobicContact CE-CD1 4.34Å; M261-F411 HydrophobicContact CE-CE1 4.47Å; M261-H412 VanDerWaalsContact CE-NE2 3.28Å; M261-H412 WeakPolarHBondContact CE-NE2 3.41Å |
| 262 | F | 96.4 | Very high | 86.9 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 11% | 0.114 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 154.3 | 162.4 | -69.4 | -87.1 | 0 | 0 | 0 | 109.5 | R280 V281 V363 L365 F378 H412 | F262-R280 CarbonylContact C-O 3.24Å; F262-R280 WeakPolarHBondContact CA-O 3.44Å; F262-V281 HydrophobicContact CD1-CG1 3.69Å; F262-V281 HydrophobicContact CE1-CG1 3.63Å; F262-V363 HydrophobicContact CD1-CG2 3.57Å; F262-V363 HydrophobicContact CE1-CB 4.11Å; F262-V363 HydrophobicContact CE1-CG2 3.54Å; F262-V363 HydrophobicContact CG-CG2 4.26Å; F262-V363 HydrophobicContact CZ-CG2 4.21Å; F262-L365 HydrophobicContact CE1-CB 4.42Å; F262-L365 HydrophobicContact CZ-CB 3.79Å; F262-F378 HydrophobicContact CE2-CB 4.14Å; F262-H412 PolarHBondContact O-CE1 2.8Å |
| 263 | S | 97.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | trans | -58.3 | 151.6 | 168 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | N265 R280 Y382 | S263-N265 VanDerWaalsContact C-N 3.27Å; S263-N265 WeakPolarHBondContact CB-O 3.42Å; S263-N265 PolarHBondContact OG-O 2.91Å; S263-R280 PolarHBondContact N-O 3.32Å; S263-R280 PolarHBondContact OG-N 3.06Å; S263-Y382 WeakPolarHBondContact O-CE1 3.32Å; S263-Y382 PolarHBondContact O-OH 3.05Å; S263-Y382 VanDerWaalsContact O-OH 3.07Å; S263-Y382 PolarHBondContact OG-OH 3.49Å | ||
| 264 | K | 96.1 | Very high | 88.3 | Confident | 130 Ų | 130 | 61.4 Ų | 61.4 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -66.4 | -37 | 175.3 | -74.2 | 172.6 | -177.1 | 176.1 | 0 | 110.8 | K93 H412 | K93-K264 WeakPolarHBondContact CE-O 3.04Å; K93-K264 PolarHBondContact NZ-O 2.86Å; K264-H412 HydrophobicContact CD-CB 4.2Å; K264-H412 HydrophobicContact CG-CB 4.43Å; K264-H412 PolarHBondContact N-ND1 3.24Å |
| 265 | N | 97.6 | Very high | 89.5 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -118.3 | 155.5 | -178.1 | -63.6 | 87.9 | 0 | 0 | 0 | 110.3 | S263 E386 F388 | S263-N265 VanDerWaalsContact C-N 3.27Å; S263-N265 WeakPolarHBondContact CB-O 3.42Å; S263-N265 PolarHBondContact OG-O 2.91Å; N265-E386 WeakPolarHBondContact CA-O 3.43Å; N265-E386 WeakPolarHBondContact CB-O 3.47Å; N265-E386 PolarHBondContact ND2-O 3Å; N265-F388 HydrophobicContact CB-CD2 4.08Å; N265-F388 HydrophobicContact CB-CE2 4Å; N265-F388 HydrophobicContact CB-CZ 4.42Å; N265-F388 WeakPolarHBondContact ND2-CE1 3.47Å; N265-F388 WeakPolarHBondContact ND2-CZ 3.05Å |
| 266 | A | 98.1 | Very high | 91 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 164.3 | 159 | 0 | 0 | 0 | 0 | 0 | 108 | L277 M278 W279 Y382 E386 I387 F388 | A266-L277 HydrophobicContact CB-CD1 4Å; A266-M278 CarbonylContact C-O 3.58Å; A266-M278 VanDerWaalsContact CA-O 3.28Å; A266-M278 WeakPolarHBondContact CA-O 3.42Å; A266-M278 WeakPolarHBondContact CB-O 3.23Å; A266-W279 HydrophobicContact CB-CB 4.33Å; A266-Y382 HydrophobicContact CB-CD1 3.92Å; A266-Y382 HydrophobicContact CB-CD2 4.04Å; A266-Y382 HydrophobicContact CB-CE1 4.25Å; A266-Y382 HydrophobicContact CB-CE2 4.33Å; A266-Y382 HydrophobicContact CB-CG 3.83Å; A266-E386 PolarHBondContact N-O 3.41Å; A266-I387 HydrophobicContact CB-CG1 4.29Å; A266-I387 HydrophobicContact CB-CG2 4.43Å; A266-I387 CarbonylContact O-C 3.56Å; A266-I387 WeakPolarHBondContact O-CA 3.36Å; A266-F388 PolarHBondContact O-N 3.34Å |
| 267 | V | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 147 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | L277 M278 F388 H391 F393 T414 | V267-L277 CarbonylContact O-C 3.6Å; V267-M278 HydrophobicContact CG2-CB 3.84Å; V267-M278 HydrophobicContact CG2-CE 4.31Å; V267-M278 PolarHBondContact N-O 2.78Å; V267-M278 PolarHBondContact O-N 3.32Å; V267-F388 CarbonylContact C-O 3.56Å; V267-F388 VanDerWaalsContact CA-O 3.27Å; V267-F388 WeakPolarHBondContact CA-O 3.48Å; V267-F388 HydrophobicContact CG1-CB 4.34Å; V267-H391 HydrophobicContact CB-CB 4.01Å; V267-H391 WeakPolarHBondContact CB-O 3.36Å; V267-H391 HydrophobicContact CG1-CB 3.77Å; V267-H391 VanDerWaalsContact CG2-O 3.3Å; V267-H391 WeakPolarHBondContact CG2-O 3.34Å; V267-F393 HydrophobicContact CG1-CE1 4.4Å; V267-F393 HydrophobicContact CG1-CE2 4.38Å; V267-F393 HydrophobicContact CG1-CZ 4.14Å; V267-F393 HydrophobicContact CG2-CD2 4.04Å; V267-F393 HydrophobicContact CG2-CE2 3.72Å; V267-F393 HydrophobicContact CG2-CZ 4.27Å; V267-T414 HydrophobicContact CG1-CG2 3.61Å |
| 268 | I | 97.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.3 | 170.5 | -67.8 | 172.1 | 0 | 0 | 0 | 107.8 | L275 C276 L277 I340 L354 I387 F388 W389 G390 | I268-L275 HydrophobicContact CG2-CD1 3.8Å; I268-L275 HydrophobicContact CG2-CD2 4.14Å; I268-L275 HydrophobicContact CG2-CG 3.85Å; I268-C276 WeakPolarHBondContact CA-O 3.45Å; I268-L277 HydrophobicContact CD1-CD1 4.29Å; I268-L277 HydrophobicContact CG1-CB 4.3Å; I268-L277 HydrophobicContact CG1-CD1 3.74Å; I268-I340 HydrophobicContact CD1-CD1 4.41Å; I268-I340 HydrophobicContact CG2-CD1 4.34Å; I268-L354 HydrophobicContact CD1-CD2 4.31Å; I268-I387 HydrophobicContact CD1-CG2 3.74Å; I268-I387 HydrophobicContact CG1-CG2 3.73Å; I268-F388 PolarHBondContact N-O 3.13Å; I268-W389 HydrophobicContact CB-CD2 4.41Å; I268-W389 HydrophobicContact CB-CE3 4.22Å; I268-W389 HydrophobicContact CD1-CE3 3.93Å; I268-W389 HydrophobicContact CD1-CZ3 4.01Å; I268-W389 HydrophobicContact CG2-CD2 4.12Å; I268-W389 HydrophobicContact CG2-CE3 4Å; I268-W389 HydrophobicContact CG2-CH2 4.27Å; I268-W389 HydrophobicContact CG2-CZ2 4.36Å; I268-W389 HydrophobicContact CG2-CZ3 4.08Å; I268-W389 CarbonylContact O-C 3.53Å; I268-G390 WeakPolarHBondContact O-CA 3.5Å; I268-G390 PolarHBondContact O-N 3.44Å |
| 269 | A | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 166.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C276 M278 H391 R392 T420 | A269-C276 PolarHBondContact N-O 3.33Å; A269-C276 PolarHBondContact O-N 2.92Å; A269-M278 HydrophobicContact CB-CE 3.92Å; A269-H391 WeakPolarHBondContact CB-O 3.46Å; A269-R392 HydrophobicContact CB-CG 4.03Å; A269-T420 HydrophobicContact CB-CG2 4.44Å |
| 270 | L | 94.8 | Very high | 95.6 | Very high | 63 Ų | 63 | 36.8 Ų | 36.8 | 33% | 0.33 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 135.6 | 172.6 | -69.8 | 179.3 | 0 | 0 | 0 | 111.3 | K274 L275 P421 | L270-K274 CarbonylContact C-O 3.56Å; L270-K274 VanDerWaalsContact CA-O 3.29Å; L270-K274 WeakPolarHBondContact CA-O 3.14Å; L270-L275 HydrophobicContact CD2-CB 4.25Å; L270-L275 HydrophobicContact CD2-CD1 4.01Å; L270-L275 HydrophobicContact CG-CD1 4.47Å; L270-P421 VanDerWaalsContact CD1-CD 3.42Å; L270-P421 HydrophobicContact CD1-CG 3.98Å |
| 271 | R | 93.6 | Very high | 95.9 | Very high | 88 Ų | 88 | 36.1 Ų | 36.1 | 33% | 0.332 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 124.1 | 166.6 | -176.1 | -179.9 | -64 | -158.2 | 5.2 | 107.8 | G273 K274 M278 | R271-G273 PolarHBondContact O-N 2.92Å; R271-G273 VanDerWaalsContact O-N 3.08Å; R271-K274 PolarHBondContact N-O 3.41Å; R271-K274 PolarHBondContact O-N 2.88Å; R271-K274 VanDerWaalsContact O-O 3.13Å; R271-M278 PolarHBondContact NH2-SD 2.9Å |
| 272 | D | 91.5 | Very high | 96 | Very high | 156 Ų | 156 | 33.6 Ų | 33.6 | 83% | 0.834 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 38.2 | 176.3 | -50.4 | -41.9 | 0 | 0 | 0 | 114.5 | K274 | D272-K274 VanDerWaalsContact C-N 3.32Å; D272-K274 PolarHBondContact O-N 3.21Å |
| 273 | G | 88.9 | Confident | 95.8 | Very high | 72 Ų | 72 | 32.7 Ų | 32.7 | 74% | 0.742 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | -12 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R271 | R271-G273 PolarHBondContact O-N 2.92Å; R271-G273 VanDerWaalsContact O-N 3.08Å |
| 274 | K | 93.4 | Very high | 95.4 | Very high | 106 Ų | 106 | 36.7 Ų | 36.7 | 46% | 0.461 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 149.3 | -178.6 | -67.5 | 162.6 | 157.7 | -151.2 | 0 | 111 | L270 R271 D272 E339 | L270-K274 CarbonylContact C-O 3.56Å; L270-K274 VanDerWaalsContact CA-O 3.29Å; L270-K274 WeakPolarHBondContact CA-O 3.14Å; R271-K274 PolarHBondContact N-O 3.41Å; R271-K274 PolarHBondContact O-N 2.88Å; R271-K274 VanDerWaalsContact O-O 3.13Å; D272-K274 VanDerWaalsContact C-N 3.32Å; D272-K274 PolarHBondContact O-N 3.21Å; K274-E339 HydrophobicContact CB-CG 4.43Å; K274-E339 VanDerWaalsContact CD-CD 3.48Å; K274-E339 HydrophobicContact CD-CG 4.36Å; K274-E339 VanDerWaalsContact CD-OE1 3.28Å; K274-E339 WeakPolarHBondContact CD-OE1 3.46Å; K274-E339 WeakPolarHBondContact CD-OE2 3.33Å; K274-E339 WeakPolarHBondContact CE-OE1 3.22Å; K274-E339 IonicContact NZ-OE1 2.66Å; K274-E339 PolarHBondContact NZ-OE1 2.89Å; K274-E339 IonicContact NZ-OE2 2.72Å; K274-E339 PolarHBondContact NZ-OE2 3.31Å |
| 275 | L | 96 | Very high | 95 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124 | 174.7 | -167.3 | 71.3 | 0 | 0 | 0 | 109 | I268 L270 I340 W389 T420 A425 | I268-L275 HydrophobicContact CG2-CD1 3.8Å; I268-L275 HydrophobicContact CG2-CD2 4.14Å; I268-L275 HydrophobicContact CG2-CG 3.85Å; L270-L275 HydrophobicContact CD2-CB 4.25Å; L270-L275 HydrophobicContact CD2-CD1 4.01Å; L270-L275 HydrophobicContact CG-CD1 4.47Å; L275-I340 HydrophobicContact CD2-CD1 4.23Å; L275-I340 HydrophobicContact CG-CD1 4.26Å; L275-I340 WeakPolarHBondContact O-CB 3.32Å; L275-I340 PolarHBondContact O-N 3.37Å; L275-W389 HydrophobicContact CD1-CZ2 4.44Å; L275-W389 HydrophobicContact CD2-CH2 3.78Å; L275-W389 HydrophobicContact CD2-CZ2 3.93Å; L275-T420 HydrophobicContact CD1-CG2 4.39Å; L275-A425 HydrophobicContact CB-CB 4.43Å; L275-A425 HydrophobicContact CD2-CB 4.21Å |
| 276 | C | 97.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 137 | -175 | -54.4 | 0 | 0 | 0 | 0 | 112 | I268 A269 M278 V337 H338 | I268-C276 WeakPolarHBondContact CA-O 3.45Å; A269-C276 PolarHBondContact N-O 3.33Å; A269-C276 PolarHBondContact O-N 2.92Å; C276-M278 HydrophobicContact CB-CE 4.28Å; C276-M278 HydrophobicContact CB-CG 4.3Å; C276-M278 WeakPolarHBondContact O-CE 3.1Å; C276-V337 HydrophobicContact CB-CG1 3.61Å; C276-H338 CarbonylContact C-O 3.56Å; C276-H338 VanDerWaalsContact CA-O 3.3Å; C276-H338 WeakPolarHBondContact CA-O 3.41Å |
| 277 | L | 98 | Very high | 94 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 135.2 | 162 | 174.5 | 70.4 | 0 | 0 | 0 | 108.8 | A266 V267 I268 W279 L317 H338 I340 L346 I361 I387 | A266-L277 HydrophobicContact CB-CD1 4Å; V267-L277 CarbonylContact O-C 3.6Å; I268-L277 HydrophobicContact CD1-CD1 4.29Å; I268-L277 HydrophobicContact CG1-CB 4.3Å; I268-L277 HydrophobicContact CG1-CD1 3.74Å; L277-W279 HydrophobicContact CD2-CE3 4.48Å; L277-W279 HydrophobicContact CD2-CZ3 4.04Å; L277-W279 HydrophobicContact CG-CE3 4.33Å; L277-W279 HydrophobicContact CG-CZ3 4.2Å; L277-L317 HydrophobicContact CD2-CD1 4.42Å; L277-H338 HydrophobicContact CB-CB 4.28Å; L277-H338 PolarHBondContact N-O 2.99Å; L277-H338 PolarHBondContact O-N 3.11Å; L277-I340 HydrophobicContact CB-CD1 4.39Å; L277-L346 HydrophobicContact CD2-CD1 3.9Å; L277-I361 HydrophobicContact CD2-CD1 3.4Å; L277-I361 VanDerWaalsContact CD2-CD1 3.4Å; L277-I387 HydrophobicContact CD1-CD1 4.4Å; L277-I387 HydrophobicContact CD1-CG2 3.78Å |
| 278 | M | 98.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 138.6 | -174 | -69.5 | 171.8 | -86.3 | 0 | 0 | 112.2 | A266 V267 A269 R271 C276 V335 I336 V337 F393 | A266-M278 CarbonylContact C-O 3.58Å; A266-M278 VanDerWaalsContact CA-O 3.28Å; A266-M278 WeakPolarHBondContact CA-O 3.42Å; A266-M278 WeakPolarHBondContact CB-O 3.23Å; V267-M278 HydrophobicContact CG2-CB 3.84Å; V267-M278 HydrophobicContact CG2-CE 4.31Å; V267-M278 PolarHBondContact N-O 2.78Å; V267-M278 PolarHBondContact O-N 3.32Å; A269-M278 HydrophobicContact CB-CE 3.92Å; R271-M278 PolarHBondContact NH2-SD 2.9Å; C276-M278 HydrophobicContact CB-CE 4.28Å; C276-M278 HydrophobicContact CB-CG 4.3Å; C276-M278 WeakPolarHBondContact O-CE 3.1Å; M278-V335 HydrophobicContact CB-CG1 3.84Å; M278-V335 HydrophobicContact CG-CG1 4.12Å; M278-V335 HydrophobicContact SD-CG1 4.31Å; M278-I336 VanDerWaalsContact CA-O 3.27Å; M278-I336 WeakPolarHBondContact CA-O 3.43Å; M278-V337 HydrophobicContact CG-CG1 4.32Å; M278-V337 HydrophobicContact CG-CG2 4.3Å; M278-F393 HydrophobicContact CB-CE2 4.35Å |
| 279 | W | 98.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 159.5 | 166.9 | 61.7 | 93.4 | 0 | 0 | 0 | 110.3 | A266 L277 A296 V319 V335 I336 H338 V363 Y382 | A266-W279 HydrophobicContact CB-CB 4.33Å; L277-W279 HydrophobicContact CD2-CE3 4.48Å; L277-W279 HydrophobicContact CD2-CZ3 4.04Å; L277-W279 HydrophobicContact CG-CE3 4.33Å; L277-W279 HydrophobicContact CG-CZ3 4.2Å; W279-A296 HydrophobicContact CH2-CB 3.49Å; W279-A296 VanDerWaalsContact CH2-CB 3.49Å; W279-A296 HydrophobicContact CZ2-CB 3.78Å; W279-A296 HydrophobicContact CZ3-CB 4.49Å; W279-V319 HydrophobicContact CH2-CG1 3.45Å; W279-V319 VanDerWaalsContact CH2-CG1 3.45Å; W279-V319 HydrophobicContact CZ2-CG1 3.86Å; W279-V335 CarbonylContact O-C 3.49Å; W279-V335 WeakPolarHBondContact O-CA 3.19Å; W279-I336 HydrophobicContact CD2-CB 4.14Å; W279-I336 HydrophobicContact CD2-CG2 4.49Å; W279-I336 HydrophobicContact CG-CB 4.44Å; W279-I336 HydrophobicContact CH2-CG2 4.02Å; W279-I336 HydrophobicContact CZ2-CB 3.99Å; W279-I336 HydrophobicContact CZ2-CG2 3.47Å; W279-I336 VanDerWaalsContact CZ2-CG2 3.47Å; W279-I336 PolarHBondContact N-O 3.45Å; W279-I336 PolarHBondContact O-N 3.41Å; W279-H338 HydrophobicContact CZ3-CB 4.31Å; W279-V363 HydrophobicContact CD2-CG1 3.89Å; W279-V363 HydrophobicContact CE3-CG1 4.36Å; W279-V363 HydrophobicContact CG-CG1 4.35Å; W279-V363 HydrophobicContact CH2-CG1 4.25Å; W279-V363 HydrophobicContact CZ2-CB 4.43Å; W279-V363 HydrophobicContact CZ2-CG1 3.75Å; W279-Y382 HydrophobicContact CB-CE2 3.85Å; W279-Y382 HydrophobicContact CG-CE2 4.05Å |
| 280 | R | 97.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 5% | 0.045 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.4 | -179.7 | -173.8 | 177 | -83.1 | 165.7 | -14.1 | 111 | F262 S263 P333 L334 V335 F393 E394 F411 | F262-R280 CarbonylContact C-O 3.24Å; F262-R280 WeakPolarHBondContact CA-O 3.44Å; S263-R280 PolarHBondContact N-O 3.32Å; S263-R280 PolarHBondContact OG-N 3.06Å; R280-P333 HydrophobicContact CG-CB 4.12Å; R280-L334 CarbonylContact C-O 3.51Å; R280-L334 WeakPolarHBondContact CA-O 3.28Å; R280-L334 WeakPolarHBondContact CG-O 3.4Å; R280-V335 HydrophobicContact CB-CG2 4.48Å; R280-V335 HydrophobicContact CG-CG2 4.48Å; R280-F393 HydrophobicContact CB-CE1 4.49Å; R280-F393 HydrophobicContact CB-CE2 4.42Å; R280-F393 HydrophobicContact CB-CZ 4.38Å; R280-E394 PolarHBondContact NH1-O 3.5Å; R280-E394 VanDerWaalsContact NH1-O 3.15Å; R280-E394 PolarHBondContact NH2-O 2.62Å; R280-F411 HydrophobicContact CB-CZ 4.36Å; R280-F411 WeakPolarHBondContact CD-O 3.16Å; R280-F411 HydrophobicContact CG-CD2 4.21Å; R280-F411 HydrophobicContact CG-CE2 3.61Å; R280-F411 HydrophobicContact CG-CZ 3.82Å; R280-F411 PolarHBondContact NH1-O 2.9Å |
| 281 | V | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 151.1 | 168.2 | -64.5 | 0 | 0 | 0 | 0 | 109.6 | M261 F262 L328 L330 P333 L334 I336 | M261-V281 CarbonylContact O-C 3.58Å; M261-V281 WeakPolarHBondContact O-CA 3.43Å; F262-V281 HydrophobicContact CD1-CG1 3.69Å; F262-V281 HydrophobicContact CE1-CG1 3.63Å; V281-L328 HydrophobicContact CG2-CD1 4.11Å; V281-L330 HydrophobicContact CG2-CD1 3.84Å; V281-P333 CarbonylContact O-C 3.5Å; V281-P333 WeakPolarHBondContact O-CA 3.46Å; V281-L334 HydrophobicContact CG2-CB 4.12Å; V281-L334 PolarHBondContact N-O 2.95Å; V281-L334 PolarHBondContact O-N 3.17Å; V281-I336 HydrophobicContact CG1-CG1 4.07Å; V281-I336 HydrophobicContact CG2-CD1 3.74Å; V281-I336 HydrophobicContact CG2-CG1 3.96Å |
| 282 | G | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 151.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L260 M261 | L260-G282 WeakPolarHBondContact CA-O 3.34Å; M261-G282 PolarHBondContact N-O 2.81Å; M261-G282 PolarHBondContact O-N 3Å |
| 283 | N | 92.8 | Very high | 93.3 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 4% | 0.037 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 115.6 | -179.5 | -176.8 | 14.6 | 0 | 0 | 0 | 110.4 | L260 R285 S287 L330 Y408 | L260-N283 HydrophobicContact CD2-CB 3.85Å; N283-R285 PolarHBondContact ND2-O 3.38Å; N283-R285 PolarHBondContact O-N 2.94Å; N283-R285 WeakPolarHBondContact OD1-CB 3.46Å; N283-R285 PolarHBondContact OD1-N 3.07Å; N283-R285 VanDerWaalsContact OD1-N 3.08Å; N283-R285 PolarHBondContact OD1-O 3.31Å; N283-S287 PolarHBondContact ND2-O 3.29Å; N283-L330 HydrophobicContact CB-CD2 4.33Å; N283-L330 HydrophobicContact CB-CG 4.27Å; N283-Y408 PolarHBondContact O-OH 3.41Å |
| 284 | L | 89.2 | Confident | 93.7 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 44% | 0.44 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -77.9 | -8.5 | 177.4 | -65.6 | 175.6 | 0 | 0 | 0 | 113 | T259 M261 Y408 | T259-L284 WeakPolarHBondContact O-CB 3.06Å; T259-L284 PolarHBondContact O-N 3.39Å; M261-L284 HydrophobicContact CG-CD1 3.87Å; M261-L284 HydrophobicContact CG-CG 4.06Å; M261-L284 HydrophobicContact SD-CD1 3.65Å; M261-L284 HydrophobicContact SD-CD2 3.74Å; M261-L284 HydrophobicContact SD-CG 3.85Å; L284-Y408 HydrophobicContact CD2-CD1 3.87Å; L284-Y408 HydrophobicContact CD2-CD2 4.4Å; L284-Y408 HydrophobicContact CD2-CE1 3.82Å; L284-Y408 HydrophobicContact CD2-CE2 4.33Å; L284-Y408 HydrophobicContact CD2-CG 4.18Å |
| 285 | R | 87.6 | Confident | 93.9 | Very high | 131 Ų | 131 | 47.4 Ų | 47.4 | 49% | 0.494 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -100.4 | 149.9 | 178.7 | -66.6 | -104.8 | -172 | 177.5 | -6.4 | 110.2 | T259 N283 | T259-R285 HydrophobicContact CG2-CG 4.04Å; N283-R285 PolarHBondContact ND2-O 3.38Å; N283-R285 PolarHBondContact O-N 2.94Å; N283-R285 WeakPolarHBondContact OD1-CB 3.46Å; N283-R285 PolarHBondContact OD1-N 3.07Å; N283-R285 VanDerWaalsContact OD1-N 3.08Å; N283-R285 PolarHBondContact OD1-O 3.31Å |
| 286 | R | 84.1 | Confident | 93.9 | Very high | 242 Ų | 242 | 47 Ų | 47 | 91% | 0.913 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -70.6 | -32.6 | 167.5 | -63.5 | -173.3 | 71 | -174.2 | -1.3 | 112.5 | ||
| 287 | S | 89.2 | Confident | 93.9 | Very high | 41 Ų | 41 | 48.7 Ų | 48.7 | 29% | 0.287 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -65.5 | 140.9 | 173.7 | 35.2 | 0 | 0 | 0 | 0 | 111.7 | R256 N283 E370 | R256-S287 PolarHBondContact NH1-OG 3.19Å; R256-S287 PolarHBondContact NH2-O 3.22Å; N283-S287 PolarHBondContact ND2-O 3.29Å; S287-E370 WeakPolarHBondContact CA-OE2 3.4Å; S287-E370 WeakPolarHBondContact CB-OE2 3.32Å |
| 288 | H | 89.7 | Confident | 93.9 | Very high | 68 Ų | 68 | 48.8 Ų | 48.8 | 32% | 0.315 | 22% | 0.219 | S | C | . | . | trans | -77.2 | 167 | -171.9 | -64.4 | -79.9 | 0 | 0 | 0 | 112.5 | R256 E370 | R256-H288 PolarHBondContact NH2-O 3.06Å; H288-E370 IonicContact CD2-OE1 2.71Å; H288-E370 PolarHBondContact N-OE2 3.4Å | ||
| 289 | I | 92.3 | Very high | 93.7 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 113.1 | 161.1 | -55.5 | -62.4 | 0 | 0 | 0 | 105.3 | R256 L260 A292 M368 | R256-I289 HydrophobicContact CG-CD1 4.48Å; L260-I289 HydrophobicContact CD1-CD1 3.87Å; L260-I289 HydrophobicContact CD1-CG1 4.05Å; L260-I289 HydrophobicContact CD2-CG1 4.1Å; I289-A292 HydrophobicContact CB-CB 4.11Å; I289-A292 HydrophobicContact CG2-CB 3.81Å; I289-M368 WeakPolarHBondContact CA-O 3.34Å |
| 290 | V | 92.2 | Very high | 93.4 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 39% | 0.388 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 142 | -176.8 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | A292 M368 E370 | V290-A292 PolarHBondContact O-N 3.17Å; V290-M368 HydrophobicContact CB-CB 4.27Å; V290-M368 HydrophobicContact CB-CE 4.47Å; V290-M368 HydrophobicContact CG1-CE 4.08Å; V290-M368 PolarHBondContact N-O 3.04Å; V290-M368 PolarHBondContact O-N 3.36Å; V290-E370 HydrophobicContact CG2-CB 4.35Å |
| 291 | E | 92.9 | Very high | 93.1 | Very high | 144 Ų | 144 | 54.5 Ų | 54.5 | 67% | 0.673 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 49.9 | 38.7 | -174 | -64.3 | 179.6 | 179.4 | 0 | 0 | 113.3 | H293 M368 | E291-H293 PolarHBondContact O-N 2.69Å; E291-H293 PolarHBondContact O-ND1 3.34Å; E291-M368 HydrophobicContact CB-CE 4.02Å; E291-M368 VanDerWaalsContact CD-CE 3.45Å; E291-M368 HydrophobicContact CG-CE 3.85Å; E291-M368 VanDerWaalsContact OE2-CE 3.25Å; E291-M368 WeakPolarHBondContact OE2-CE 3.39Å |
| 292 | A | 95.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 130.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | I289 V290 R327 L328 L365 E366 | I289-A292 HydrophobicContact CB-CB 4.11Å; I289-A292 HydrophobicContact CG2-CB 3.81Å; V290-A292 PolarHBondContact O-N 3.17Å; A292-R327 CarbonylContact O-C 3.51Å; A292-R327 WeakPolarHBondContact O-CA 3.06Å; A292-L328 HydrophobicContact CB-CB 4.24Å; A292-L328 PolarHBondContact O-N 3.04Å; A292-L365 HydrophobicContact CB-CD1 4.44Å; A292-E366 CarbonylContact C-O 3.57Å; A292-E366 VanDerWaalsContact CA-O 3.25Å; A292-E366 WeakPolarHBondContact CA-O 3.36Å |
| 293 | H | 96.1 | Very high | 92.8 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 151.7 | 175.3 | 57.6 | -78.9 | 0 | 0 | 0 | 110.9 | E291 D326 E366 | E291-H293 PolarHBondContact O-N 2.69Å; E291-H293 PolarHBondContact O-ND1 3.34Å; H293-D326 VanDerWaalsContact CA-O 3.29Å; H293-D326 WeakPolarHBondContact CA-O 3.37Å; H293-E366 VanDerWaalsContact CE1-CB 3.49Å; H293-E366 WeakPolarHBondContact CE1-CB 3.13Å; H293-E366 PolarHBondContact N-O 3.34Å; H293-E366 WeakPolarHBondContact NE2-CB 3.11Å; H293-E366 IonicContact NE2-OE2 2.95Å; H293-E366 PolarHBondContact O-N 2.72Å |
| 294 | V | 97.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 147.3 | -176.9 | -77 | 0 | 0 | 0 | 0 | 112.7 | V319 D326 L328 I336 I364 L365 | V294-V319 HydrophobicContact CG2-CG2 4.1Å; V294-V319 VanDerWaalsContact O-CG2 3.3Å; V294-V319 WeakPolarHBondContact O-CG2 3.34Å; V294-D326 WeakPolarHBondContact CG2-O 3.42Å; V294-D326 PolarHBondContact N-O 3.02Å; V294-L328 HydrophobicContact CB-CD1 4.47Å; V294-L328 HydrophobicContact CG1-CD1 3.58Å; V294-L328 HydrophobicContact CG1-CG 4.45Å; V294-L328 HydrophobicContact CG2-CD1 4.14Å; V294-L328 HydrophobicContact CG2-CD2 4.25Å; V294-L328 HydrophobicContact CG2-CG 4.28Å; V294-I336 HydrophobicContact CG1-CD1 4.25Å; V294-I336 HydrophobicContact CG1-CG1 4.32Å; V294-I336 HydrophobicContact CG2-CD1 4.03Å; V294-I336 HydrophobicContact CG2-CG1 4.36Å; V294-I336 HydrophobicContact CG2-CG2 3.94Å; V294-I364 WeakPolarHBondContact CA-O 3.41Å; V294-L365 HydrophobicContact CG1-CB 4.26Å; V294-L365 HydrophobicContact CG1-CD1 3.66Å |
| 295 | R | 96.9 | Very high | 93.1 | Very high | 109 Ų | 109 | 63.9 Ų | 63.9 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 150.2 | 176.2 | -57.2 | 179.3 | 62.9 | -171 | 0.5 | 109.3 | I364 E366 | R295-I364 HydrophobicContact CB-CB 4.35Å; R295-I364 PolarHBondContact N-O 3.45Å; R295-I364 PolarHBondContact O-N 2.94Å; R295-E366 WeakPolarHBondContact CD-OE2 3.44Å; R295-E366 IonicContact NH1-OE2 3.85Å |
| 296 | A | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 143.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | W279 L317 V319 V362 V363 | W279-A296 HydrophobicContact CH2-CB 3.49Å; W279-A296 VanDerWaalsContact CH2-CB 3.49Å; W279-A296 HydrophobicContact CZ2-CB 3.78Å; W279-A296 HydrophobicContact CZ3-CB 4.49Å; A296-L317 HydrophobicContact CB-CB 3.95Å; A296-L317 HydrophobicContact CB-CD1 4.22Å; A296-L317 PolarHBondContact O-N 2.71Å; A296-V319 HydrophobicContact CB-CG1 4.29Å; A296-V362 CarbonylContact C-O 3.58Å; A296-V362 WeakPolarHBondContact CA-O 3.43Å; A296-V363 HydrophobicContact CB-CG1 4.22Å |
| 297 | Q | 97.1 | Very high | 93.9 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 126.9 | -178.1 | -65.2 | -177.8 | -45.8 | 0 | 0 | 109.8 | M315 I361 V362 | Q297-M315 CarbonylContact C-O 3.48Å; Q297-M315 VanDerWaalsContact CA-O 3.3Å; Q297-M315 WeakPolarHBondContact CA-O 3.45Å; Q297-I361 CarbonylContact O-C 3.56Å; Q297-I361 WeakPolarHBondContact O-CA 3.29Å; Q297-V362 PolarHBondContact N-O 3Å; Q297-V362 PolarHBondContact O-N 3.33Å |
| 298 | L | 96.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.2 | 166.3 | 179.8 | 68.1 | 0 | 0 | 0 | 109 | M315 L317 P345 L346 F359 I361 | L298-M315 HydrophobicContact CB-CB 4.35Å; L298-M315 HydrophobicContact CD2-SD 4.32Å; L298-M315 PolarHBondContact N-O 3.47Å; L298-M315 PolarHBondContact O-N 3.12Å; L298-L317 HydrophobicContact CB-CD1 4.3Å; L298-L317 HydrophobicContact CB-CD2 4.19Å; L298-L317 HydrophobicContact CB-CG 4.21Å; L298-P345 HydrophobicContact CB-CG 4.38Å; L298-P345 HydrophobicContact CD2-CB 3.69Å; L298-P345 HydrophobicContact CD2-CG 3.69Å; L298-L346 HydrophobicContact CD1-CD2 4.23Å; L298-L346 HydrophobicContact CD2-CD2 4.03Å; L298-F359 HydrophobicContact CD1-CB 3.81Å; L298-F359 HydrophobicContact CD1-CD2 3.31Å; L298-F359 HydrophobicContact CD1-CE2 4Å; L298-F359 HydrophobicContact CD1-CG 3.7Å; L298-I361 HydrophobicContact CD1-CD1 4.48Å; L298-I361 HydrophobicContact CD1-CG1 3.81Å |
| 299 | I | 95.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.9 | 177.6 | -54.8 | -169.2 | 0 | 0 | 0 | 109 | F90 L312 E313 Q314 E360 V362 | F90-I299 HydrophobicContact CD1-CD1 3.53Å; F90-I299 HydrophobicContact CE1-CD1 4Å; F90-I299 HydrophobicContact CG-CD1 4.4Å; I299-L312 HydrophobicContact CG2-CB 4.25Å; I299-L312 HydrophobicContact CG2-CD2 3.49Å; I299-L312 VanDerWaalsContact CG2-CD2 3.49Å; I299-L312 HydrophobicContact CG2-CG 4.47Å; I299-E313 WeakPolarHBondContact CA-O 3.28Å; I299-Q314 HydrophobicContact CD1-CG 4.37Å; I299-Q314 HydrophobicContact CG1-CG 4.26Å; I299-E360 WeakPolarHBondContact CA-O 3.17Å; I299-E360 HydrophobicContact CB-CB 4.49Å; I299-E360 WeakPolarHBondContact CB-O 3.4Å; I299-E360 PolarHBondContact N-O 3.19Å; I299-E360 PolarHBondContact O-N 3.46Å; I299-V362 HydrophobicContact CD1-CB 4.29Å; I299-V362 HydrophobicContact CD1-CG2 3.45Å; I299-V362 VanDerWaalsContact CD1-CG2 3.45Å; I299-V362 HydrophobicContact CG1-CG2 4.15Å |
| 300 | R | 91.9 | Very high | 94.4 | Very high | 80 Ų | 80 | 64.5 Ų | 64.5 | 30% | 0.302 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 164.1 | 178.8 | 57.1 | -175.7 | -116.4 | 151.6 | -6.5 | 110.8 | L312 E313 F359 | R300-L312 CarbonylContact O-C 3.56Å; R300-E313 PolarHBondContact N-O 2.97Å; R300-E313 PolarHBondContact O-N 3.16Å; R300-F359 HydrophobicContact CB-CB 4.26Å |
| 301 | S | 90.7 | Very high | 94.3 | Very high | 53 Ų | 53 | 64.6 Ų | 64.6 | 37% | 0.371 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 136.5 | 167.3 | 40.6 | 0 | 0 | 0 | 0 | 109.5 | R87 I310 | R87-S301 PolarHBondContact NH1-OG 2.95Å; S301-I310 WeakPolarHBondContact CA-O 3.19Å |
| 302 | Y | 90.6 | Very high | 94.2 | Very high | 88 Ų | 88 | 60.8 Ų | 60.8 | 35% | 0.345 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 153.3 | -178.8 | 178.9 | -121 | 0 | 0 | 0 | 111.1 | T304 I310 E313 | Y302-T304 HydrophobicContact CD1-CG2 4.38Å; Y302-T304 HydrophobicContact CE1-CG2 4.06Å; Y302-I310 HydrophobicContact CD1-CD1 4.35Å; Y302-I310 PolarHBondContact N-O 2.86Å; Y302-I310 PolarHBondContact O-N 2.68Å; Y302-E313 WeakPolarHBondContact CB-OE2 3.45Å; Y302-E313 WeakPolarHBondContact CD1-OE1 3.36Å; Y302-E313 WeakPolarHBondContact CD1-OE2 3.35Å; Y302-E313 VanDerWaalsContact CG-OE2 3.29Å |
| 303 | V | 93.1 | Very high | 94.1 | Very high | 80 Ų | 80 | 62.8 Ų | 62.8 | 49% | 0.485 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122.7 | 171.6 | 177.9 | 0 | 0 | 0 | 0 | 107.1 | E308 F309 | V303-E308 CarbonylContact C-O 3.56Å; V303-E308 VanDerWaalsContact CA-O 3.26Å; V303-E308 WeakPolarHBondContact CA-O 3.25Å; V303-F309 HydrophobicContact CG2-CB 4.5Å; V303-F309 HydrophobicContact CG2-CD2 3.83Å |
| 304 | T | 94.4 | Very high | 94 | Very high | 23 Ų | 23 | 65 Ų | 65 | 14% | 0.141 | 34% | 0.343 | C | S | . | . | trans | -70.1 | 166.4 | -179.9 | 80.8 | 0 | 0 | 0 | 0 | 111.2 | Y302 E306 G307 E308 I310 | Y302-T304 HydrophobicContact CD1-CG2 4.38Å; Y302-T304 HydrophobicContact CE1-CG2 4.06Å; T304-E306 WeakPolarHBondContact CB-OE2 3.44Å; T304-E306 PolarHBondContact O-N 3.21Å; T304-E306 PolarHBondContact OG1-N 3.02Å; T304-E306 PolarHBondContact OG1-OE2 3.22Å; T304-G307 PolarHBondContact O-N 2.86Å; T304-G307 PolarHBondContact OG1-N 2.89Å; T304-E308 HydrophobicContact CG2-CB 3.98Å; T304-E308 PolarHBondContact N-O 3.11Å; T304-E308 PolarHBondContact OG1-N 3.4Å; T304-I310 HydrophobicContact CG2-CD1 4.08Å; T304-I310 HydrophobicContact CG2-CG1 4.47Å | ||
| 305 | A | 93.8 | Very high | 93.9 | Very high | 98 Ų | 98 | 67.7 Ų | 67.7 | 81% | 0.81 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G307 | A305-G307 VanDerWaalsContact C-N 3.3Š|
| 306 | E | 95.6 | Very high | 93.9 | Very high | 166 Ų | 166 | 66.6 Ų | 66.6 | 78% | 0.776 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -10.5 | 176.8 | -54.2 | 69.6 | -150.4 | 0 | 0 | 112.6 | T304 | T304-E306 WeakPolarHBondContact CB-OE2 3.44Å; T304-E306 PolarHBondContact O-N 3.21Å; T304-E306 PolarHBondContact OG1-N 3.02Å; T304-E306 PolarHBondContact OG1-OE2 3.22Å |
| 307 | G | 93.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 55% | 0.546 | 36% | 0.359 | S | S | . | . | trans | 91.9 | 12.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T304 A305 | T304-G307 PolarHBondContact O-N 2.86Å; T304-G307 PolarHBondContact OG1-N 2.89Å; A305-G307 VanDerWaalsContact C-N 3.3Å | ||
| 308 | E | 94.9 | Very high | 93.8 | Very high | 130 Ų | 130 | 67.6 Ų | 67.6 | 61% | 0.607 | 37% | 0.366 | S | S | * | . | trans | -72.7 | 130.2 | 172 | -179.6 | 174 | -167 | 0 | 0 | 110.3 | V303 T304 | V303-E308 CarbonylContact C-O 3.56Å; V303-E308 VanDerWaalsContact CA-O 3.26Å; V303-E308 WeakPolarHBondContact CA-O 3.25Å; T304-E308 HydrophobicContact CG2-CB 3.98Å; T304-E308 PolarHBondContact N-O 3.11Å; T304-E308 PolarHBondContact OG1-N 3.4Å | ||
| 309 | F | 93.3 | Very high | 93.8 | Very high | 105 Ų | 105 | 68.1 Ų | 68.1 | 46% | 0.461 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 114.8 | 177.2 | 173.5 | -103.2 | 0 | 0 | 0 | 111.1 | V303 P311 | V303-F309 HydrophobicContact CG2-CB 4.5Å; V303-F309 HydrophobicContact CG2-CD2 3.83Å; F309-P311 HydrophobicContact CD1-CG 4.1Å; F309-P311 HydrophobicContact CE1-CB 3.94Å; F309-P311 HydrophobicContact CE1-CG 3.77Å; F309-P311 HydrophobicContact CZ-CB 4.4Å; F309-P311 WeakPolarHBondContact O-CD 3.25Å |
| 310 | I | 93.4 | Very high | 93.7 | Very high | 50 Ų | 50 | 68.5 Ų | 68.5 | 26% | 0.256 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 110.5 | 175.9 | -53.2 | -177.9 | 0 | 0 | 0 | 108.3 | S301 Y302 T304 L312 E313 | S301-I310 WeakPolarHBondContact CA-O 3.19Å; Y302-I310 HydrophobicContact CD1-CD1 4.35Å; Y302-I310 PolarHBondContact N-O 2.86Å; Y302-I310 PolarHBondContact O-N 2.68Å; T304-I310 HydrophobicContact CG2-CD1 4.08Å; T304-I310 HydrophobicContact CG2-CG1 4.47Å; I310-L312 PolarHBondContact O-N 2.9Å; I310-E313 HydrophobicContact CB-CB 4.48Å; I310-E313 HydrophobicContact CG2-CB 3.89Å |
| 311 | P | 90 | Very high | 93.8 | Very high | 66 Ų | 66 | 72.7 Ų | 72.7 | 43% | 0.429 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | -33.5 | -171.5 | -21.6 | 32.1 | 0 | 0 | 0 | 114.8 | R87 F309 | R87-P311 PolarHBondContact NH2-O 3.27Å; F309-P311 HydrophobicContact CD1-CG 4.1Å; F309-P311 HydrophobicContact CE1-CB 3.94Å; F309-P311 HydrophobicContact CE1-CG 3.77Å; F309-P311 HydrophobicContact CZ-CB 4.4Å; F309-P311 WeakPolarHBondContact O-CD 3.25Å |
| 312 | L | 90.8 | Very high | 93.8 | Very high | 65 Ų | 65 | 76.4 Ų | 76.4 | 34% | 0.34 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 71.9 | -175.3 | -71.3 | 167.4 | 0 | 0 | 0 | 108 | F90 I299 R300 I310 | F90-L312 HydrophobicContact CD2-CD1 3.86Å; F90-L312 HydrophobicContact CE2-CD1 3.87Å; I299-L312 HydrophobicContact CG2-CB 4.25Å; I299-L312 HydrophobicContact CG2-CD2 3.49Å; I299-L312 VanDerWaalsContact CG2-CD2 3.49Å; I299-L312 HydrophobicContact CG2-CG 4.47Å; R300-L312 CarbonylContact O-C 3.56Å; I310-L312 PolarHBondContact O-N 2.9Å |
| 313 | E | 94 | Very high | 93.9 | Very high | 43 Ų | 43 | 79.8 Ų | 79.8 | 20% | 0.201 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 136.8 | 168 | -174.9 | 176.1 | -130 | 0 | 0 | 108.9 | I299 R300 Y302 I310 M315 | I299-E313 WeakPolarHBondContact CA-O 3.28Å; R300-E313 PolarHBondContact N-O 2.97Å; R300-E313 PolarHBondContact O-N 3.16Å; Y302-E313 WeakPolarHBondContact CB-OE2 3.45Å; Y302-E313 WeakPolarHBondContact CD1-OE1 3.36Å; Y302-E313 WeakPolarHBondContact CD1-OE2 3.35Å; Y302-E313 VanDerWaalsContact CG-OE2 3.29Å; I310-E313 HydrophobicContact CB-CB 4.48Å; I310-E313 HydrophobicContact CG2-CB 3.89Å; E313-M315 HydrophobicContact CG-CG 4.05Å |
| 314 | Q | 94.3 | Very high | 93.9 | Very high | 105 Ų | 105 | 76.6 Ų | 76.6 | 49% | 0.491 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 107.5 | 178 | -64 | 174 | 34.1 | 0 | 0 | 107.9 | I299 | I299-Q314 HydrophobicContact CD1-CG 4.37Å; I299-Q314 HydrophobicContact CG1-CG 4.26Å |
| 315 | M | 94.8 | Very high | 93.8 | Very high | 60 Ų | 60 | 79.4 Ų | 79.4 | 30% | 0.296 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.7 | 177.3 | -49.8 | 177.7 | 80.3 | 0 | 0 | 108.3 | Q297 L298 E313 P345 | Q297-M315 CarbonylContact C-O 3.48Å; Q297-M315 VanDerWaalsContact CA-O 3.3Å; Q297-M315 WeakPolarHBondContact CA-O 3.45Å; L298-M315 HydrophobicContact CB-CB 4.35Å; L298-M315 HydrophobicContact CD2-SD 4.32Å; L298-M315 PolarHBondContact N-O 3.47Å; L298-M315 PolarHBondContact O-N 3.12Å; E313-M315 HydrophobicContact CG-CG 4.05Å; M315-P345 HydrophobicContact CB-CG 4.4Å; M315-P345 HydrophobicContact CE-CB 3.76Å; M315-P345 HydrophobicContact SD-CB 3.84Å |
| 316 | D | 96.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 75.3 Ų | 75.3 | 47% | 0.465 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 146.8 | 178.1 | -158.8 | 82.4 | 0 | 0 | 0 | 111 | ||
| 317 | L | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | trans | -114.9 | 110.9 | 175.3 | -66.6 | 175.1 | 0 | 0 | 0 | 108.5 | L277 A296 L298 V319 P345 L346 I361 | L277-L317 HydrophobicContact CD2-CD1 4.42Å; A296-L317 HydrophobicContact CB-CB 3.95Å; A296-L317 HydrophobicContact CB-CD1 4.22Å; A296-L317 PolarHBondContact O-N 2.71Å; L298-L317 HydrophobicContact CB-CD1 4.3Å; L298-L317 HydrophobicContact CB-CD2 4.19Å; L298-L317 HydrophobicContact CB-CG 4.21Å; L317-V319 PolarHBondContact O-N 3.45Å; L317-V319 VanDerWaalsContact O-N 3.14Å; L317-P345 HydrophobicContact CD2-CG 3.45Å; L317-P345 VanDerWaalsContact CD2-CG 3.45Å; L317-L346 HydrophobicContact CD2-CD1 4.39Å; L317-L346 HydrophobicContact CD2-CG 4.38Å; L317-I361 HydrophobicContact CD1-CD1 4Å; L317-I361 HydrophobicContact CD1-CG1 4.17Å; L317-I361 HydrophobicContact CD1-CG2 3.63Å | ||
| 318 | N | 96.3 | Very high | 93.9 | Very high | 60 Ų | 60 | 74.5 Ų | 74.5 | 32% | 0.321 | 37% | 0.366 | S | S | . | . | trans | -63.5 | 117.1 | -176 | -163.4 | -9 | 0 | 0 | 0 | 111.3 | G320 Y321 D322 H338 | N318-G320 PolarHBondContact OD1-N 3.35Å; N318-Y321 PolarHBondContact OD1-N 2.96Å; N318-D322 PolarHBondContact ND2-OD2 2.89Å; N318-H338 PolarHBondContact O-ND1 3.08Å | ||
| 319 | V | 96.3 | Very high | 93.9 | Very high | 14 Ų | 14 | 75.9 Ų | 75.9 | 9% | 0.085 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -110.7 | 19.8 | 177 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | W279 V294 A296 L317 D326 I336 H338 | W279-V319 HydrophobicContact CH2-CG1 3.45Å; W279-V319 VanDerWaalsContact CH2-CG1 3.45Å; W279-V319 HydrophobicContact CZ2-CG1 3.86Å; V294-V319 HydrophobicContact CG2-CG2 4.1Å; V294-V319 VanDerWaalsContact O-CG2 3.3Å; V294-V319 WeakPolarHBondContact O-CG2 3.34Å; A296-V319 HydrophobicContact CB-CG1 4.29Å; L317-V319 PolarHBondContact O-N 3.45Å; L317-V319 VanDerWaalsContact O-N 3.14Å; V319-D326 HydrophobicContact CG2-CB 4.19Å; V319-I336 HydrophobicContact CB-CG2 4.12Å; V319-I336 HydrophobicContact CG1-CG2 3.93Å; V319-H338 HydrophobicContact CG1-CB 4.34Å |
| 320 | G | 93.8 | Very high | 93.9 | Very high | 12 Ų | 12 | 71 Ų | 71 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 107 | 24.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | N318 D322 E323 G324 T325 D326 | N318-G320 PolarHBondContact OD1-N 3.35Å; G320-D322 PolarHBondContact O-N 2.91Å; G320-E323 PolarHBondContact O-N 3.46Å; G320-G324 CarbonylContact O-C 3.53Å; G320-G324 WeakPolarHBondContact O-CA 3.21Å; G320-G324 PolarHBondContact O-N 3.13Å; G320-T325 WeakPolarHBondContact CA-OG1 3.21Å; G320-T325 PolarHBondContact O-N 3.08Å; G320-T325 PolarHBondContact O-OG1 3.03Å; G320-D326 PolarHBondContact O-N 3.22Å |
| 321 | Y | 93.1 | Very high | 93.8 | Very high | 169 Ų | 169 | 72.1 Ų | 72.1 | 66% | 0.663 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -43.2 | -176.7 | 178.8 | -102.8 | 0 | 0 | 0 | 112.4 | N318 E323 G324 | N318-Y321 PolarHBondContact OD1-N 2.96Å; Y321-E323 VanDerWaalsContact C-N 3.31Å; Y321-E323 PolarHBondContact O-N 2.87Å; Y321-G324 PolarHBondContact O-N 3.29Å |
| 322 | D | 92.3 | Very high | 93.9 | Very high | 131 Ų | 131 | 70.7 Ų | 70.7 | 70% | 0.701 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -28 | -177.8 | -52.4 | -76.5 | 0 | 0 | 0 | 113.1 | N318 G320 | N318-D322 PolarHBondContact ND2-OD2 2.89Å; G320-D322 PolarHBondContact O-N 2.91Å |
| 323 | E | 92.6 | Very high | 94.2 | Very high | 158 Ų | 158 | 68 Ų | 68 | 74% | 0.738 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -11.9 | 174.9 | -60.5 | -177.4 | 164.5 | 0 | 0 | 112.3 | G320 Y321 T325 | G320-E323 PolarHBondContact O-N 3.46Å; Y321-E323 VanDerWaalsContact C-N 3.31Å; Y321-E323 PolarHBondContact O-N 2.87Å; E323-T325 VanDerWaalsContact C-N 3.25Å; E323-T325 HydrophobicContact CB-CG2 4.08Å; E323-T325 PolarHBondContact O-N 3.46Å |
| 324 | G | 92.3 | Very high | 94.3 | Very high | 14 Ų | 14 | 68.5 Ų | 68.5 | 14% | 0.144 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 25.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114 | G320 Y321 D326 R327 | G320-G324 CarbonylContact O-C 3.53Å; G320-G324 WeakPolarHBondContact O-CA 3.21Å; G320-G324 PolarHBondContact O-N 3.13Å; Y321-G324 PolarHBondContact O-N 3.29Å; G324-D326 VanDerWaalsContact C-N 3.32Å; G324-D326 WeakPolarHBondContact CA-OD1 2.89Å; G324-R327 PolarHBondContact O-NE 3.29Å; G324-R327 PolarHBondContact O-NH2 2.97Å |
| 325 | T | 92.3 | Very high | 94.4 | Very high | 81 Ų | 81 | 65.4 Ų | 65.4 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | trans | -86.3 | -5.5 | 173.8 | 50 | 0 | 0 | 0 | 0 | 112.5 | G320 E323 R327 | G320-T325 WeakPolarHBondContact CA-OG1 3.21Å; G320-T325 PolarHBondContact O-N 3.08Å; G320-T325 PolarHBondContact O-OG1 3.03Å; E323-T325 VanDerWaalsContact C-N 3.25Å; E323-T325 HydrophobicContact CB-CG2 4.08Å; E323-T325 PolarHBondContact O-N 3.46Å; T325-R327 PolarHBondContact O-N 3.23Å | ||
| 326 | D | 94.8 | Very high | 94.6 | Very high | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.07 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -65.7 | -24.5 | 165.6 | 71.8 | -45.8 | 0 | 0 | 0 | 113.2 | H293 V294 V319 G320 G324 | H293-D326 VanDerWaalsContact CA-O 3.29Å; H293-D326 WeakPolarHBondContact CA-O 3.37Å; V294-D326 WeakPolarHBondContact CG2-O 3.42Å; V294-D326 PolarHBondContact N-O 3.02Å; V319-D326 HydrophobicContact CG2-CB 4.19Å; G320-D326 PolarHBondContact O-N 3.22Å; G324-D326 VanDerWaalsContact C-N 3.32Å; G324-D326 WeakPolarHBondContact CA-OD1 2.89Å |
| 327 | R | 95.8 | Very high | 94.6 | Very high | 175 Ų | 175 | 60.9 Ų | 60.9 | 66% | 0.66 | 31% | 0.306 | S | S | * | . | B | Isolated β-bridge | trans | -76.9 | 121.9 | 175.3 | -61.4 | 170.4 | -60.3 | 172.9 | 5 | 110.2 | A292 G324 T325 | A292-R327 CarbonylContact O-C 3.51Å; A292-R327 WeakPolarHBondContact O-CA 3.06Å; G324-R327 PolarHBondContact O-NE 3.29Å; G324-R327 PolarHBondContact O-NH2 2.97Å; T325-R327 PolarHBondContact O-N 3.23Å |
| 328 | L | 95.1 | Very high | 94.7 | Very high | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.141 | 31% | 0.307 | C | S | . | . | trans | -110.4 | 136.4 | -169.4 | -54.2 | -175.6 | 0 | 0 | 0 | 113.1 | V281 A292 V294 L330 L334 I336 L365 | V281-L328 HydrophobicContact CG2-CD1 4.11Å; A292-L328 HydrophobicContact CB-CB 4.24Å; A292-L328 PolarHBondContact O-N 3.04Å; V294-L328 HydrophobicContact CB-CD1 4.47Å; V294-L328 HydrophobicContact CG1-CD1 3.58Å; V294-L328 HydrophobicContact CG1-CG 4.45Å; V294-L328 HydrophobicContact CG2-CD1 4.14Å; V294-L328 HydrophobicContact CG2-CD2 4.25Å; V294-L328 HydrophobicContact CG2-CG 4.28Å; L328-L330 HydrophobicContact CB-CB 4.46Å; L328-L330 PolarHBondContact O-N 3.16Å; L328-L334 HydrophobicContact CB-CD1 4.14Å; L328-L334 HydrophobicContact CD1-CD1 4.46Å; L328-L334 HydrophobicContact CD2-CD1 4.21Å; L328-I336 HydrophobicContact CD1-CD1 3.7Å; L328-I336 HydrophobicContact CD2-CD1 3.92Å; L328-I336 HydrophobicContact CG-CD1 4.47Å; L328-L365 HydrophobicContact CD1-CD1 4.16Å | ||
| 329 | F | 94.4 | Very high | 94.7 | Very high | 159 Ų | 159 | 61.4 Ų | 61.4 | 70% | 0.697 | 31% | 0.307 | S | S | * | . | trans | -92.7 | 79.5 | 159.7 | -175.3 | -121.5 | 0 | 0 | 0 | 110.1 | V331 | F329-V331 HydrophobicContact CD1-CG2 3.91Å; F329-V331 HydrophobicContact CD2-CG2 4.37Å; F329-V331 HydrophobicContact CE1-CG2 3.43Å; F329-V331 VanDerWaalsContact CE1-CG2 3.43Å; F329-V331 HydrophobicContact CE2-CG2 3.94Å; F329-V331 HydrophobicContact CG-CG2 4.36Å; F329-V331 HydrophobicContact CZ-CG2 3.45Å; F329-V331 VanDerWaalsContact CZ-CG2 3.45Å; F329-V331 PolarHBondContact O-N 2.94Å | ||
| 330 | L | 93.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | trans | -82.3 | 79.8 | -169.7 | -171.6 | 65 | 0 | 0 | 0 | 113.2 | L260 V281 N283 L328 L334 L365 | L260-L330 HydrophobicContact CD2-CD2 3.79Å; V281-L330 HydrophobicContact CG2-CD1 3.84Å; N283-L330 HydrophobicContact CB-CD2 4.33Å; N283-L330 HydrophobicContact CB-CG 4.27Å; L328-L330 HydrophobicContact CB-CB 4.46Å; L328-L330 PolarHBondContact O-N 3.16Å; L330-L334 HydrophobicContact CD1-CB 4.28Å; L330-L334 HydrophobicContact CD1-CD1 4.03Å; L330-L334 HydrophobicContact CD1-CG 3.95Å; L330-L365 HydrophobicContact CD2-CD2 3.98Å | ||
| 331 | V | 91.3 | Very high | 94.7 | Very high | 72 Ų | 72 | 63.3 Ų | 63.3 | 44% | 0.436 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -96.6 | -59.1 | 171.8 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | F329 | F329-V331 HydrophobicContact CD1-CG2 3.91Å; F329-V331 HydrophobicContact CD2-CG2 4.37Å; F329-V331 HydrophobicContact CE1-CG2 3.43Å; F329-V331 VanDerWaalsContact CE1-CG2 3.43Å; F329-V331 HydrophobicContact CE2-CG2 3.94Å; F329-V331 HydrophobicContact CG-CG2 4.36Å; F329-V331 HydrophobicContact CZ-CG2 3.45Å; F329-V331 VanDerWaalsContact CZ-CG2 3.45Å; F329-V331 PolarHBondContact O-N 2.94Å |
| 332 | S | 93.1 | Very high | 94.8 | Very high | 36 Ų | 36 | 62 Ų | 62 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -99.8 | 166.4 | 173.7 | 59.8 | 0 | 0 | 0 | 0 | 110.6 | L334 I397 | S332-L334 PolarHBondContact O-N 2.88Å; S332-I397 WeakPolarHBondContact OG-CD1 3.43Å |
| 333 | P | 96.1 | Very high | 94.9 | Very high | 10 Ų | 10 | 62.9 Ų | 62.9 | 7% | 0.065 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 119.1 | 176.6 | -31.8 | 40 | 0 | 0 | 0 | 114.2 | R280 V281 V396 V406 Y408 F411 | R280-P333 HydrophobicContact CG-CB 4.12Å; V281-P333 CarbonylContact O-C 3.5Å; V281-P333 WeakPolarHBondContact O-CA 3.46Å; P333-V396 HydrophobicContact CB-CG2 3.89Å; P333-V396 HydrophobicContact CG-CG2 3.93Å; P333-V406 HydrophobicContact CG-CG1 3.71Å; P333-Y408 HydrophobicContact CG-CE1 3.91Å; P333-F411 HydrophobicContact CB-CD2 3.88Å; P333-F411 HydrophobicContact CB-CE2 3.75Å; P333-F411 HydrophobicContact CG-CD2 3.81Å; P333-F411 HydrophobicContact CG-CE2 3.95Å |
| 334 | L | 96.4 | Very high | 95 | Very high | 53 Ų | 53 | 55.8 Ų | 55.8 | 28% | 0.277 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 143.1 | 177.7 | -60.8 | 179.7 | 0 | 0 | 0 | 110.6 | R280 V281 L328 L330 S332 I336 | R280-L334 CarbonylContact C-O 3.51Å; R280-L334 WeakPolarHBondContact CA-O 3.28Å; R280-L334 WeakPolarHBondContact CG-O 3.4Å; V281-L334 HydrophobicContact CG2-CB 4.12Å; V281-L334 PolarHBondContact N-O 2.95Å; V281-L334 PolarHBondContact O-N 3.17Å; L328-L334 HydrophobicContact CB-CD1 4.14Å; L328-L334 HydrophobicContact CD1-CD1 4.46Å; L328-L334 HydrophobicContact CD2-CD1 4.21Å; L330-L334 HydrophobicContact CD1-CB 4.28Å; L330-L334 HydrophobicContact CD1-CD1 4.03Å; L330-L334 HydrophobicContact CD1-CG 3.95Å; S332-L334 PolarHBondContact O-N 2.88Å; L334-I336 HydrophobicContact CB-CD1 4.48Å |
| 335 | V | 97.1 | Very high | 95.1 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 108.5 | 170.4 | 178.9 | 0 | 0 | 0 | 0 | 107.6 | M278 W279 R280 F393 | M278-V335 HydrophobicContact CB-CG1 3.84Å; M278-V335 HydrophobicContact CG-CG1 4.12Å; M278-V335 HydrophobicContact SD-CG1 4.31Å; W279-V335 CarbonylContact O-C 3.49Å; W279-V335 WeakPolarHBondContact O-CA 3.19Å; R280-V335 HydrophobicContact CB-CG2 4.48Å; R280-V335 HydrophobicContact CG-CG2 4.48Å; V335-F393 HydrophobicContact CG1-CD2 4.07Å; V335-F393 HydrophobicContact CG1-CE2 4.31Å; V335-F393 HydrophobicContact CG2-CD2 4.09Å |
| 336 | I | 97.6 | Very high | 95.3 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.046 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 142.1 | 173.8 | -48.4 | -50.7 | 0 | 0 | 0 | 108.2 | M278 W279 V281 V294 V319 L328 L334 | M278-I336 VanDerWaalsContact CA-O 3.27Å; M278-I336 WeakPolarHBondContact CA-O 3.43Å; W279-I336 HydrophobicContact CD2-CB 4.14Å; W279-I336 HydrophobicContact CD2-CG2 4.49Å; W279-I336 HydrophobicContact CG-CB 4.44Å; W279-I336 HydrophobicContact CH2-CG2 4.02Å; W279-I336 HydrophobicContact CZ2-CB 3.99Å; W279-I336 HydrophobicContact CZ2-CG2 3.47Å; W279-I336 VanDerWaalsContact CZ2-CG2 3.47Å; W279-I336 PolarHBondContact N-O 3.45Å; W279-I336 PolarHBondContact O-N 3.41Å; V281-I336 HydrophobicContact CG1-CG1 4.07Å; V281-I336 HydrophobicContact CG2-CD1 3.74Å; V281-I336 HydrophobicContact CG2-CG1 3.96Å; V294-I336 HydrophobicContact CG1-CD1 4.25Å; V294-I336 HydrophobicContact CG1-CG1 4.32Å; V294-I336 HydrophobicContact CG2-CD1 4.03Å; V294-I336 HydrophobicContact CG2-CG1 4.36Å; V294-I336 HydrophobicContact CG2-CG2 3.94Å; V319-I336 HydrophobicContact CB-CG2 4.12Å; V319-I336 HydrophobicContact CG1-CG2 3.93Å; L328-I336 HydrophobicContact CD1-CD1 3.7Å; L328-I336 HydrophobicContact CD2-CD1 3.92Å; L328-I336 HydrophobicContact CG-CD1 4.47Å; L334-I336 HydrophobicContact CB-CD1 4.48Å |
| 337 | V | 97.3 | Very high | 95.3 | Very high | 44 Ų | 44 | 54.2 Ų | 54.2 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.3 | -174.9 | -169.6 | 0 | 0 | 0 | 0 | 108.1 | C276 M278 | C276-V337 HydrophobicContact CB-CG1 3.61Å; M278-V337 HydrophobicContact CG-CG1 4.32Å; M278-V337 HydrophobicContact CG-CG2 4.3Å |
| 338 | H | 97.6 | Very high | 95.2 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 1% | 0.014 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.4 | 162 | 167.6 | 59.4 | 0 | 0 | 0 | 107.1 | C276 L277 W279 N318 V319 S344 | C276-H338 CarbonylContact C-O 3.56Å; C276-H338 VanDerWaalsContact CA-O 3.3Å; C276-H338 WeakPolarHBondContact CA-O 3.41Å; L277-H338 HydrophobicContact CB-CB 4.28Å; L277-H338 PolarHBondContact N-O 2.99Å; L277-H338 PolarHBondContact O-N 3.11Å; W279-H338 HydrophobicContact CZ3-CB 4.31Å; N318-H338 PolarHBondContact O-ND1 3.08Å; V319-H338 HydrophobicContact CG1-CB 4.34Å; H338-S344 PolarHBondContact CE1-OG 3.39Å; H338-S344 PolarHBondContact NE2-OG 3.42Å |
| 339 | E | 96.3 | Very high | 95.2 | Very high | 68 Ų | 68 | 49.7 Ų | 49.7 | 32% | 0.318 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 129.5 | 172 | -176.8 | 173.6 | 155.6 | 0 | 0 | 109.6 | K274 D341 | K274-E339 HydrophobicContact CB-CG 4.43Å; K274-E339 VanDerWaalsContact CD-CD 3.48Å; K274-E339 HydrophobicContact CD-CG 4.36Å; K274-E339 VanDerWaalsContact CD-OE1 3.28Å; K274-E339 WeakPolarHBondContact CD-OE1 3.46Å; K274-E339 WeakPolarHBondContact CD-OE2 3.33Å; K274-E339 WeakPolarHBondContact CE-OE1 3.22Å; K274-E339 IonicContact NZ-OE1 2.66Å; K274-E339 PolarHBondContact NZ-OE1 2.89Å; K274-E339 IonicContact NZ-OE2 2.72Å; K274-E339 PolarHBondContact NZ-OE2 3.31Å; E339-D341 VanDerWaalsContact C-N 3.26Å; E339-D341 HydrophobicContact CG-CB 4.31Å; E339-D341 PolarHBondContact O-N 3.45Å; E339-D341 VanDerWaalsContact O-N 3.09Å |
| 340 | I | 96.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 42.8 Ų | 42.8 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | trans | -87.8 | 75.1 | 176.5 | -53 | 177.8 | 0 | 0 | 0 | 107.8 | I268 L275 L277 L346 A425 | I268-I340 HydrophobicContact CD1-CD1 4.41Å; I268-I340 HydrophobicContact CG2-CD1 4.34Å; L275-I340 HydrophobicContact CD2-CD1 4.23Å; L275-I340 HydrophobicContact CG-CD1 4.26Å; L275-I340 WeakPolarHBondContact O-CB 3.32Å; L275-I340 PolarHBondContact O-N 3.37Å; L277-I340 HydrophobicContact CB-CD1 4.39Å; I340-L346 HydrophobicContact CD1-CB 4.42Å; I340-L346 HydrophobicContact CG1-CB 4.49Å; I340-L346 HydrophobicContact CG2-CB 3.99Å; I340-L346 WeakPolarHBondContact CG2-O 3.29Å; I340-A425 HydrophobicContact CB-CB 4.14Å; I340-A425 HydrophobicContact CG2-CB 3.62Å; I340-A425 VanDerWaalsContact O-CB 3.29Å; I340-A425 WeakPolarHBondContact O-CB 3.21Å | ||
| 341 | D | 94 | Very high | 95.2 | Very high | 54 Ų | 54 | 46 Ų | 46 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | trans | -87.9 | -169.1 | 175.6 | 69.2 | 18.5 | 0 | 0 | 0 | 112.2 | E339 D343 S344 Y347 | E339-D341 VanDerWaalsContact C-N 3.26Å; E339-D341 HydrophobicContact CG-CB 4.31Å; E339-D341 PolarHBondContact O-N 3.45Å; E339-D341 VanDerWaalsContact O-N 3.09Å; D341-D343 VanDerWaalsContact C-N 3.32Å; D341-D343 PolarHBondContact O-N 3.44Å; D341-D343 WeakPolarHBondContact OD1-CA 3.27Å; D341-D343 PolarHBondContact OD1-N 3.34Å; D341-S344 WeakPolarHBondContact O-CB 3.25Å; D341-S344 PolarHBondContact O-N 3.11Å; D341-S344 PolarHBondContact OD1-N 3.27Å; D341-Y347 VanDerWaalsContact C-CD2 3.45Å; D341-Y347 VanDerWaalsContact O-CB 3.25Å; D341-Y347 WeakPolarHBondContact O-CB 3.25Å; D341-Y347 WeakPolarHBondContact O-CD2 3.36Å; D341-Y347 VanDerWaalsContact O-CG 3.28Å | ||
| 342 | K | 94.8 | Very high | 95.3 | Very high | 141 Ų | 141 | 45.9 Ų | 45.9 | 61% | 0.613 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -69.7 | -24.2 | -178.6 | -73.9 | 163 | -173 | 159.5 | 0 | 114.7 | Y347 D429 | K342-Y347 HydrophobicContact CB-CE1 4.47Å; K342-Y347 WeakPolarHBondContact CE-OH 3.23Å; K342-Y347 HydrophobicContact CG-CE1 3.86Å; K342-Y347 HydrophobicContact CG-CE2 3.84Å; K342-Y347 VanDerWaalsContact CG-CZ 3.45Å; K342-Y347 WeakPolarHBondContact CG-OH 3.49Å; K342-D429 WeakPolarHBondContact CE-OD2 3.35Å; K342-D429 IonicContact NZ-OD2 3.47Å; K342-D429 PolarHBondContact NZ-OD2 2.89Å |
| 343 | D | 93.6 | Very high | 95.3 | Very high | 151 Ų | 151 | 47.8 Ų | 47.8 | 81% | 0.807 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -93.3 | -16.6 | -179.6 | -65.2 | -44.1 | 0 | 0 | 0 | 110.8 | D341 | D341-D343 VanDerWaalsContact C-N 3.32Å; D341-D343 PolarHBondContact O-N 3.44Å; D341-D343 WeakPolarHBondContact OD1-CA 3.27Å; D341-D343 PolarHBondContact OD1-N 3.34Å |
| 344 | S | 95.8 | Very high | 95.1 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -59.3 | 131.6 | 170.5 | -179.9 | 0 | 0 | 0 | 0 | 112.4 | H338 D341 L346 Y347 | H338-S344 PolarHBondContact CE1-OG 3.39Å; H338-S344 PolarHBondContact NE2-OG 3.42Å; D341-S344 WeakPolarHBondContact O-CB 3.25Å; D341-S344 PolarHBondContact O-N 3.11Å; D341-S344 PolarHBondContact OD1-N 3.27Å; S344-L346 PolarHBondContact O-N 2.85Å; S344-L346 PolarHBondContact OG-N 2.73Å; S344-L346 VanDerWaalsContact OG-N 3.14Å; S344-Y347 VanDerWaalsContact O-CB 3.32Å; S344-Y347 WeakPolarHBondContact O-CB 3.36Å; S344-Y347 PolarHBondContact O-N 3.19Å; S344-Y347 VanDerWaalsContact O-N 3.1Å |
| 345 | P | 94.1 | Very high | 94.8 | Very high | 34 Ų | 34 | 52.2 Ų | 52.2 | 22% | 0.221 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -5.7 | 172.4 | 32.2 | -37.6 | 0 | 0 | 0 | 113.2 | L298 M315 L317 | L298-P345 HydrophobicContact CB-CG 4.38Å; L298-P345 HydrophobicContact CD2-CB 3.69Å; L298-P345 HydrophobicContact CD2-CG 3.69Å; M315-P345 HydrophobicContact CB-CG 4.4Å; M315-P345 HydrophobicContact CE-CB 3.76Å; M315-P345 HydrophobicContact SD-CB 3.84Å; L317-P345 HydrophobicContact CD2-CG 3.45Å; L317-P345 VanDerWaalsContact CD2-CG 3.45Å |
| 346 | L | 95.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 1 | 175.4 | -53.3 | 178.8 | 0 | 0 | 0 | 112.8 | L277 L298 L317 I340 S344 T348 L349 F359 I361 | L277-L346 HydrophobicContact CD2-CD1 3.9Å; L298-L346 HydrophobicContact CD1-CD2 4.23Å; L298-L346 HydrophobicContact CD2-CD2 4.03Å; L317-L346 HydrophobicContact CD2-CD1 4.39Å; L317-L346 HydrophobicContact CD2-CG 4.38Å; I340-L346 HydrophobicContact CD1-CB 4.42Å; I340-L346 HydrophobicContact CG1-CB 4.49Å; I340-L346 HydrophobicContact CG2-CB 3.99Å; I340-L346 WeakPolarHBondContact CG2-O 3.29Å; S344-L346 PolarHBondContact O-N 2.85Å; S344-L346 PolarHBondContact OG-N 2.73Å; S344-L346 VanDerWaalsContact OG-N 3.14Å; L346-T348 VanDerWaalsContact C-N 3.26Å; L346-T348 PolarHBondContact O-N 2.93Å; L346-T348 VanDerWaalsContact O-N 3.14Å; L346-L349 HydrophobicContact CD2-CD2 4.27Å; L346-L349 VanDerWaalsContact O-CB 3.26Å; L346-L349 WeakPolarHBondContact O-CB 3.48Å; L346-L349 PolarHBondContact O-N 2.87Å; L346-F359 HydrophobicContact CD2-CZ 4.43Å; L346-I361 HydrophobicContact CD1-CD1 4.16Å |
| 347 | Y | 96.1 | Very high | 94 | Very high | 36 Ų | 36 | 57.4 Ų | 57.4 | 14% | 0.141 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -36.4 | -173.3 | -173 | -127.8 | 0 | 0 | 0 | 114.7 | D341 K342 S344 A425 K426 D429 | D341-Y347 VanDerWaalsContact C-CD2 3.45Å; D341-Y347 VanDerWaalsContact O-CB 3.25Å; D341-Y347 WeakPolarHBondContact O-CB 3.25Å; D341-Y347 WeakPolarHBondContact O-CD2 3.36Å; D341-Y347 VanDerWaalsContact O-CG 3.28Å; K342-Y347 HydrophobicContact CB-CE1 4.47Å; K342-Y347 WeakPolarHBondContact CE-OH 3.23Å; K342-Y347 HydrophobicContact CG-CE1 3.86Å; K342-Y347 HydrophobicContact CG-CE2 3.84Å; K342-Y347 VanDerWaalsContact CG-CZ 3.45Å; K342-Y347 WeakPolarHBondContact CG-OH 3.49Å; S344-Y347 VanDerWaalsContact O-CB 3.32Å; S344-Y347 WeakPolarHBondContact O-CB 3.36Å; S344-Y347 PolarHBondContact O-N 3.19Å; S344-Y347 VanDerWaalsContact O-N 3.1Å; Y347-A425 HydrophobicContact CD2-CB 3.79Å; Y347-A425 HydrophobicContact CE2-CB 4.16Å; Y347-A425 PolarHBondContact O-N 2.96Å; Y347-K426 HydrophobicContact CD1-CB 3.8Å; Y347-K426 HydrophobicContact CD1-CD 4.41Å; Y347-K426 HydrophobicContact CD1-CG 4.23Å; Y347-K426 HydrophobicContact CD2-CB 4.35Å; Y347-K426 HydrophobicContact CE1-CB 3.53Å; Y347-K426 HydrophobicContact CE1-CD 4.12Å; Y347-K426 HydrophobicContact CE1-CG 3.65Å; Y347-K426 HydrophobicContact CE2-CB 4.13Å; Y347-K426 HydrophobicContact CG-CB 4.2Å; Y347-K426 VanDerWaalsContact CZ-CA 3.44Å; Y347-K426 WeakPolarHBondContact O-CB 3.22Å; Y347-K426 PolarHBondContact O-N 3.33Å; Y347-D429 WeakPolarHBondContact OH-CB 3.27Å; Y347-D429 PolarHBondContact OH-OD2 3.18Å |
| 348 | T | 94.1 | Very high | 93.7 | Very high | 93 Ų | 93 | 58.6 Ų | 58.6 | 57% | 0.571 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 1.9 | -179.8 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | L346 K426 | L346-T348 VanDerWaalsContact C-N 3.26Å; L346-T348 PolarHBondContact O-N 2.93Å; L346-T348 VanDerWaalsContact O-N 3.14Å; T348-K426 HydrophobicContact CG2-CD 4Å |
| 349 | L | 93.9 | Very high | 93.5 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | trans | -81.5 | 118 | -175 | -170.9 | 75.7 | 0 | 0 | 0 | 110.9 | L346 D353 L354 F359 W389 S424 | L346-L349 HydrophobicContact CD2-CD2 4.27Å; L346-L349 VanDerWaalsContact O-CB 3.26Å; L346-L349 WeakPolarHBondContact O-CB 3.48Å; L346-L349 PolarHBondContact O-N 2.87Å; L349-D353 HydrophobicContact CD1-CB 3.68Å; L349-D353 HydrophobicContact CG-CB 4.47Å; L349-L354 HydrophobicContact CD2-CB 4.27Å; L349-L354 HydrophobicContact CD2-CD1 4.06Å; L349-L354 HydrophobicContact CG-CB 4.44Å; L349-F359 HydrophobicContact CD1-CE1 4.23Å; L349-F359 HydrophobicContact CD2-CE1 4.08Å; L349-F359 HydrophobicContact CD2-CZ 3.94Å; L349-W389 WeakPolarHBondContact O-CH2 3.45Å; L349-S424 WeakPolarHBondContact O-CA 3.47Å; L349-S424 WeakPolarHBondContact O-CB 3.49Å | ||
| 350 | S | 95 | Very high | 93.5 | Very high | 15 Ų | 15 | 56.1 Ų | 56.1 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | trans | -91.2 | 174.2 | 169.5 | 77.9 | 0 | 0 | 0 | 0 | 112.2 | A352 D353 L354 | S350-A352 VanDerWaalsContact C-N 3.28Å; S350-A352 PolarHBondContact O-N 2.94Å; S350-A352 PolarHBondContact OG-N 3.18Å; S350-D353 WeakPolarHBondContact CB-OD2 3.27Å; S350-D353 PolarHBondContact N-OD2 3.44Å; S350-D353 PolarHBondContact O-N 2.97Å; S350-D353 PolarHBondContact OG-N 3.42Å; S350-D353 PolarHBondContact OG-OD2 3.42Å; S350-L354 PolarHBondContact O-N 2.96Å | ||
| 351 | R | 93.8 | Very high | 93.5 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 27% | 0.268 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.1 | -41.2 | 171.9 | 179.7 | -178.9 | 173.4 | 158.8 | 11 | 112.1 | L354 E355 W389 H422 | R351-L354 PolarHBondContact O-N 3.17Å; R351-E355 IonicContact NE-OE1 2.87Å; R351-E355 PolarHBondContact O-N 3.42Å; R351-W389 HydrophobicContact CB-CD2 3.74Å; R351-W389 HydrophobicContact CB-CE3 4.19Å; R351-W389 HydrophobicContact CB-CG 3.87Å; R351-W389 HydrophobicContact CB-CZ2 4.47Å; R351-W389 HydrophobicContact CG-CB 4.03Å; R351-W389 HydrophobicContact CG-CD2 4.21Å; R351-W389 HydrophobicContact CG-CG 3.83Å; R351-H422 HydrophobicContact CB-CB 3.96Å; R351-H422 PolarHBondContact N-O 3.27Å; R351-H422 VanDerWaalsContact N-O 3.07Å; R351-H422 PolarHBondContact NH1-CE1 3.36Å; R351-H422 PolarHBondContact NH1-NE2 3.24Å |
| 352 | A | 92.8 | Very high | 93.7 | Very high | 69 Ų | 69 | 53.2 Ų | 53.2 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -70 | -36.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S350 E355 | S350-A352 VanDerWaalsContact C-N 3.28Å; S350-A352 PolarHBondContact O-N 2.94Å; S350-A352 PolarHBondContact OG-N 3.18Å; A352-E355 PolarHBondContact O-N 3.5Å |
| 353 | D | 92.5 | Very high | 93.8 | Very high | 75 Ų | 75 | 46.5 Ų | 46.5 | 40% | 0.401 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.7 | -41.1 | 176.1 | -55.1 | -52.4 | 0 | 0 | 0 | 111 | L349 S350 E355 A356 D357 | L349-D353 HydrophobicContact CD1-CB 3.68Å; L349-D353 HydrophobicContact CG-CB 4.47Å; S350-D353 WeakPolarHBondContact CB-OD2 3.27Å; S350-D353 PolarHBondContact N-OD2 3.44Å; S350-D353 PolarHBondContact O-N 2.97Å; S350-D353 PolarHBondContact OG-N 3.42Å; S350-D353 PolarHBondContact OG-OD2 3.42Å; D353-E355 PolarHBondContact O-N 3.49Å; D353-A356 CarbonylContact O-C 3.4Å; D353-A356 PolarHBondContact O-N 2.9Å; D353-D357 VanDerWaalsContact O-CB 3.27Å; D353-D357 WeakPolarHBondContact O-CB 3.37Å; D353-D357 PolarHBondContact O-N 3.16Å |
| 354 | L | 92.9 | Very high | 94 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.3 | -30.6 | 177.8 | 179.3 | 66.3 | 0 | 0 | 0 | 113.4 | I268 L349 S350 R351 A356 F359 A384 I387 W389 | I268-L354 HydrophobicContact CD1-CD2 4.31Å; L349-L354 HydrophobicContact CD2-CB 4.27Å; L349-L354 HydrophobicContact CD2-CD1 4.06Å; L349-L354 HydrophobicContact CG-CB 4.44Å; S350-L354 PolarHBondContact O-N 2.96Å; R351-L354 PolarHBondContact O-N 3.17Å; L354-A356 VanDerWaalsContact C-N 3.34Å; L354-F359 HydrophobicContact CD1-CE1 4.13Å; L354-F359 HydrophobicContact CD1-CZ 3.63Å; L354-A384 HydrophobicContact CD1-CB 4Å; L354-I387 HydrophobicContact CD1-CB 4.15Å; L354-I387 HydrophobicContact CD1-CD1 4.19Å; L354-I387 HydrophobicContact CD2-CB 4.14Å; L354-I387 HydrophobicContact CD2-CG2 4.11Å; L354-W389 HydrophobicContact CD2-CB 4.32Å; L354-W389 HydrophobicContact CD2-CE3 3.92Å |
| 355 | E | 90 | Very high | 94 | Very high | 149 Ų | 149 | 39.8 Ų | 39.8 | 70% | 0.696 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -77.5 | -19.8 | 176.6 | -67.8 | 177.5 | -164.2 | 0 | 0 | 112.8 | R351 A352 D353 | R351-E355 IonicContact NE-OE1 2.87Å; R351-E355 PolarHBondContact O-N 3.42Å; A352-E355 PolarHBondContact O-N 3.5Å; D353-E355 PolarHBondContact O-N 3.49Å |
| 356 | A | 89 | Confident | 94 | Very high | 88 Ų | 88 | 40.1 Ų | 40.1 | 73% | 0.727 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -108.1 | -24.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D353 L354 | D353-A356 CarbonylContact O-C 3.4Å; D353-A356 PolarHBondContact O-N 2.9Å; L354-A356 VanDerWaalsContact C-N 3.34Å |
| 357 | D | 88.3 | Confident | 93.9 | Very high | 70 Ų | 70 | 40.1 Ų | 40.1 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | trans | -81.4 | 153.4 | -173.1 | -161.7 | 7.8 | 0 | 0 | 0 | 112.9 | D353 F359 A384 | D353-D357 VanDerWaalsContact O-CB 3.27Å; D353-D357 WeakPolarHBondContact O-CB 3.37Å; D353-D357 PolarHBondContact O-N 3.16Å; D357-F359 HydrophobicContact CB-CD1 4.05Å; D357-F359 HydrophobicContact CB-CE1 4.13Å; D357-F359 WeakPolarHBondContact OD2-CD1 3.31Å; D357-A384 WeakPolarHBondContact O-CB 3.35Å | ||
| 358 | D | 90.4 | Very high | 93.6 | Very high | 69 Ų | 69 | 40.1 Ų | 40.1 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | trans | -123.7 | 78.5 | -172.9 | -175.5 | 46.9 | 0 | 0 | 0 | 111.9 | R87 | R87-D358 WeakPolarHBondContact CB-OD1 3.46Å; R87-D358 WeakPolarHBondContact CB-OD2 3.36Å; R87-D358 WeakPolarHBondContact CD-OD2 2.88Å; R87-D358 IonicContact NH1-OD2 2.68Å | ||
| 359 | F | 94 | Very high | 93.4 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | trans | -128.2 | 163.8 | 174.8 | 66 | -98 | 0 | 0 | 0 | 112.8 | L298 R300 L346 L349 L354 D357 I361 A384 I387 | L298-F359 HydrophobicContact CD1-CB 3.81Å; L298-F359 HydrophobicContact CD1-CD2 3.31Å; L298-F359 HydrophobicContact CD1-CE2 4Å; L298-F359 HydrophobicContact CD1-CG 3.7Å; R300-F359 HydrophobicContact CB-CB 4.26Å; L346-F359 HydrophobicContact CD2-CZ 4.43Å; L349-F359 HydrophobicContact CD1-CE1 4.23Å; L349-F359 HydrophobicContact CD2-CE1 4.08Å; L349-F359 HydrophobicContact CD2-CZ 3.94Å; L354-F359 HydrophobicContact CD1-CE1 4.13Å; L354-F359 HydrophobicContact CD1-CZ 3.63Å; D357-F359 HydrophobicContact CB-CD1 4.05Å; D357-F359 HydrophobicContact CB-CE1 4.13Å; D357-F359 WeakPolarHBondContact OD2-CD1 3.31Å; F359-I361 HydrophobicContact CD2-CD1 4.49Å; F359-I361 HydrophobicContact CD2-CG1 3.99Å; F359-I361 HydrophobicContact CE2-CD1 3.91Å; F359-I361 HydrophobicContact CE2-CG1 3.9Å; F359-A384 HydrophobicContact CD1-CB 4.18Å; F359-A384 HydrophobicContact CE1-CB 3.9Å; F359-A384 HydrophobicContact CE2-CB 4.34Å; F359-A384 HydrophobicContact CZ-CB 4Å; F359-A384 PolarHBondContact O-N 2.89Å; F359-I387 HydrophobicContact CE2-CD1 3.65Å; F359-I387 HydrophobicContact CZ-CD1 4.01Å | ||
| 360 | E | 96.3 | Very high | 93.1 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.5 | 174.7 | -178.2 | 172.8 | 167.3 | 0 | 0 | 110.3 | R89 F90 V91 I299 V362 S381 Y382 L383 | R89-E360 VanDerWaalsContact CA-OE2 3.31Å; R89-E360 WeakPolarHBondContact CA-OE2 3.35Å; R89-E360 WeakPolarHBondContact CG-OE1 3.3Å; R89-E360 VanDerWaalsContact CG-OE2 3.23Å; R89-E360 WeakPolarHBondContact CG-OE2 3.25Å; F90-E360 PolarHBondContact N-OE2 2.9Å; V91-E360 PolarHBondContact N-OE1 2.85Å; I299-E360 WeakPolarHBondContact CA-O 3.17Å; I299-E360 HydrophobicContact CB-CB 4.49Å; I299-E360 WeakPolarHBondContact CB-O 3.4Å; I299-E360 PolarHBondContact N-O 3.19Å; I299-E360 PolarHBondContact O-N 3.46Å; E360-V362 HydrophobicContact CG-CG2 4.3Å; E360-S381 WeakPolarHBondContact OE1-CB 3.39Å; E360-S381 PolarHBondContact OE1-OG 3.32Å; E360-Y382 CarbonylContact C-O 3.6Å; E360-Y382 WeakPolarHBondContact CA-O 3.41Å; E360-L383 HydrophobicContact CB-CD2 3.84Å; E360-L383 HydrophobicContact CG-CD2 3.93Å |
| 361 | I | 97.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 110.2 | 170.5 | -61 | -177.9 | 0 | 0 | 0 | 108.2 | L277 Q297 L298 L317 L346 F359 V363 S381 Y382 I387 | L277-I361 HydrophobicContact CD2-CD1 3.4Å; L277-I361 VanDerWaalsContact CD2-CD1 3.4Å; Q297-I361 CarbonylContact O-C 3.56Å; Q297-I361 WeakPolarHBondContact O-CA 3.29Å; L298-I361 HydrophobicContact CD1-CD1 4.48Å; L298-I361 HydrophobicContact CD1-CG1 3.81Å; L317-I361 HydrophobicContact CD1-CD1 4Å; L317-I361 HydrophobicContact CD1-CG1 4.17Å; L317-I361 HydrophobicContact CD1-CG2 3.63Å; L346-I361 HydrophobicContact CD1-CD1 4.16Å; F359-I361 HydrophobicContact CD2-CD1 4.49Å; F359-I361 HydrophobicContact CD2-CG1 3.99Å; F359-I361 HydrophobicContact CE2-CD1 3.91Å; F359-I361 HydrophobicContact CE2-CG1 3.9Å; I361-V363 HydrophobicContact CG2-CG1 4.13Å; I361-S381 CarbonylContact O-C 3.46Å; I361-S381 WeakPolarHBondContact O-CA 3.3Å; I361-S381 VanDerWaalsContact O-CB 3.26Å; I361-S381 WeakPolarHBondContact O-CB 3.26Å; I361-Y382 PolarHBondContact N-O 3.49Å; I361-Y382 PolarHBondContact O-N 3.05Å; I361-I387 HydrophobicContact CD1-CD1 3.8Å; I361-I387 HydrophobicContact CG1-CD1 4.48Å |
| 362 | V | 97.9 | Very high | 92.4 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 129.5 | 171.3 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | V91 A296 Q297 I299 E360 I364 | V91-V362 HydrophobicContact CB-CG1 4.43Å; V91-V362 HydrophobicContact CB-CG2 4.08Å; V91-V362 HydrophobicContact CG2-CG1 4.11Å; V91-V362 HydrophobicContact CG2-CG2 3.86Å; A296-V362 CarbonylContact C-O 3.58Å; A296-V362 WeakPolarHBondContact CA-O 3.43Å; Q297-V362 PolarHBondContact N-O 3Å; Q297-V362 PolarHBondContact O-N 3.33Å; I299-V362 HydrophobicContact CD1-CB 4.29Å; I299-V362 HydrophobicContact CD1-CG2 3.45Å; I299-V362 VanDerWaalsContact CD1-CG2 3.45Å; I299-V362 HydrophobicContact CG1-CG2 4.15Å; E360-V362 HydrophobicContact CG-CG2 4.3Å; V362-I364 HydrophobicContact CG1-CG1 4.21Å |
| 363 | V | 97.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.9 | 176 | -63.1 | 0 | 0 | 0 | 0 | 109.9 | F262 W279 A296 I361 R379 S380 Y382 | F262-V363 HydrophobicContact CD1-CG2 3.57Å; F262-V363 HydrophobicContact CE1-CB 4.11Å; F262-V363 HydrophobicContact CE1-CG2 3.54Å; F262-V363 HydrophobicContact CG-CG2 4.26Å; F262-V363 HydrophobicContact CZ-CG2 4.21Å; W279-V363 HydrophobicContact CD2-CG1 3.89Å; W279-V363 HydrophobicContact CE3-CG1 4.36Å; W279-V363 HydrophobicContact CG-CG1 4.35Å; W279-V363 HydrophobicContact CH2-CG1 4.25Å; W279-V363 HydrophobicContact CZ2-CB 4.43Å; W279-V363 HydrophobicContact CZ2-CG1 3.75Å; A296-V363 HydrophobicContact CB-CG1 4.22Å; I361-V363 HydrophobicContact CG2-CG1 4.13Å; V363-R379 WeakPolarHBondContact O-CA 3.48Å; V363-S380 PolarHBondContact N-O 3.02Å; V363-S380 PolarHBondContact O-N 2.82Å; V363-Y382 HydrophobicContact CB-CE2 4.39Å; V363-Y382 HydrophobicContact CG1-CD2 4.06Å; V363-Y382 HydrophobicContact CG1-CE2 3.78Å; V363-Y382 HydrophobicContact CG2-CD2 4.39Å; V363-Y382 HydrophobicContact CG2-CE2 3.67Å |
| 364 | I | 96.6 | Very high | 92 | Very high | 16 Ų | 16 | 43.6 Ų | 43.6 | 8% | 0.082 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134.5 | -174.2 | -45.5 | -175 | 0 | 0 | 0 | 108.1 | V294 R295 V362 E366 Q377 F378 R379 | V294-I364 WeakPolarHBondContact CA-O 3.41Å; R295-I364 HydrophobicContact CB-CB 4.35Å; R295-I364 PolarHBondContact N-O 3.45Å; R295-I364 PolarHBondContact O-N 2.94Å; V362-I364 HydrophobicContact CG1-CG1 4.21Å; I364-E366 HydrophobicContact CG2-CG 3.9Å; I364-Q377 HydrophobicContact CG2-CG 3.46Å; I364-Q377 VanDerWaalsContact CG2-CG 3.46Å; I364-F378 CarbonylContact C-O 3.58Å; I364-F378 WeakPolarHBondContact CA-O 3.21Å; I364-R379 HydrophobicContact CG1-CG 4.29Å; I364-R379 HydrophobicContact CG2-CG 4.21Å |
| 365 | L | 95.4 | Very high | 91.9 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.2 | 168.1 | 171.3 | 68.9 | 0 | 0 | 0 | 106.7 | L260 F262 A292 V294 L328 L330 F378 | L260-L365 HydrophobicContact CD1-CD2 4.16Å; L260-L365 HydrophobicContact CD2-CD2 4.02Å; F262-L365 HydrophobicContact CE1-CB 4.42Å; F262-L365 HydrophobicContact CZ-CB 3.79Å; A292-L365 HydrophobicContact CB-CD1 4.44Å; V294-L365 HydrophobicContact CG1-CB 4.26Å; V294-L365 HydrophobicContact CG1-CD1 3.66Å; L328-L365 HydrophobicContact CD1-CD1 4.16Å; L330-L365 HydrophobicContact CD2-CD2 3.98Å; L365-F378 HydrophobicContact CB-CB 4.33Å; L365-F378 HydrophobicContact CB-CD2 4.46Å; L365-F378 HydrophobicContact CD2-CD2 4.3Å; L365-F378 HydrophobicContact CG-CD2 4.22Å; L365-F378 PolarHBondContact N-O 3.05Å; L365-F378 WeakPolarHBondContact O-CD2 3.14Å; L365-F378 PolarHBondContact O-N 3.32Å |
| 366 | E | 93.9 | Very high | 91.8 | Very high | 40 Ų | 40 | 42.3 Ų | 42.3 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 156 | 178.8 | -71.7 | -179.9 | 124.1 | 0 | 0 | 109.2 | A292 H293 R295 I364 Q377 | A292-E366 CarbonylContact C-O 3.57Å; A292-E366 VanDerWaalsContact CA-O 3.25Å; A292-E366 WeakPolarHBondContact CA-O 3.36Å; H293-E366 VanDerWaalsContact CE1-CB 3.49Å; H293-E366 WeakPolarHBondContact CE1-CB 3.13Å; H293-E366 PolarHBondContact N-O 3.34Å; H293-E366 WeakPolarHBondContact NE2-CB 3.11Å; H293-E366 IonicContact NE2-OE2 2.95Å; H293-E366 PolarHBondContact O-N 2.72Å; R295-E366 WeakPolarHBondContact CD-OE2 3.44Å; R295-E366 IonicContact NH1-OE2 3.85Å; I364-E366 HydrophobicContact CG2-CG 3.9Å; E366-Q377 HydrophobicContact CG-CB 4.12Å; E366-Q377 HydrophobicContact CG-CG 3.73Å; E366-Q377 PolarHBondContact OE1-NE2 2.7Å |
| 367 | G | 93.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.5 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T375 T376 | G367-T375 CarbonylContact O-C 3.55Å; G367-T375 WeakPolarHBondContact O-CA 3.37Å; G367-T376 PolarHBondContact N-O 3.31Å; G367-T376 VanDerWaalsContact O-CG2 3.28Å; G367-T376 WeakPolarHBondContact O-CG2 3.27Å; G367-T376 PolarHBondContact O-N 3.01Å |
| 368 | M | 91.5 | Very high | 92.1 | Very high | 37 Ų | 37 | 38.4 Ų | 38.4 | 18% | 0.182 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 144 | -176.6 | -67.3 | -176.4 | -73.1 | 0 | 0 | 112.5 | I289 V290 E291 E370 A373 M374 T375 | I289-M368 WeakPolarHBondContact CA-O 3.34Å; V290-M368 HydrophobicContact CB-CB 4.27Å; V290-M368 HydrophobicContact CB-CE 4.47Å; V290-M368 HydrophobicContact CG1-CE 4.08Å; V290-M368 PolarHBondContact N-O 3.04Å; V290-M368 PolarHBondContact O-N 3.36Å; E291-M368 HydrophobicContact CB-CE 4.02Å; E291-M368 VanDerWaalsContact CD-CE 3.45Å; E291-M368 HydrophobicContact CG-CE 3.85Å; E291-M368 VanDerWaalsContact OE2-CE 3.25Å; E291-M368 WeakPolarHBondContact OE2-CE 3.39Å; M368-E370 PolarHBondContact O-N 3.2Å; M368-A373 VanDerWaalsContact SD-O 3.4Å; M368-M374 WeakPolarHBondContact CA-O 3.35Å; M368-T375 HydrophobicContact CG-CG2 3.76Å; M368-T375 HydrophobicContact SD-CG2 4.46Å |
| 369 | V | 89.4 | Confident | 92.3 | Very high | 15 Ų | 15 | 38.4 Ų | 38.4 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 117.2 | 169.5 | -177.1 | 0 | 0 | 0 | 0 | 109.4 | P253 R256 A371 T372 A373 M374 T376 | P253-V369 HydrophobicContact CB-CG2 3.65Å; P253-V369 HydrophobicContact CG-CG2 4.4Å; R256-V369 HydrophobicContact CB-CG2 4.34Å; R256-V369 HydrophobicContact CG-CG2 3.97Å; V369-A371 VanDerWaalsContact C-N 3.29Å; V369-A371 PolarHBondContact O-N 2.98Å; V369-A371 VanDerWaalsContact O-N 3.11Å; V369-T372 PolarHBondContact O-N 3.26Å; V369-A373 PolarHBondContact O-N 3.26Å; V369-M374 PolarHBondContact N-O 3.31Å; V369-M374 VanDerWaalsContact N-O 3.07Å; V369-T376 HydrophobicContact CG2-CG2 3.57Å |
| 370 | E | 87.3 | Confident | 92.4 | Very high | 96 Ų | 96 | 38.2 Ų | 38.2 | 45% | 0.449 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -39.8 | -50.1 | -179 | -177.6 | 173.1 | -138.8 | 0 | 0 | 114.6 | S287 H288 V290 M368 T372 | S287-E370 WeakPolarHBondContact CA-OE2 3.4Å; S287-E370 WeakPolarHBondContact CB-OE2 3.32Å; H288-E370 IonicContact CD2-OE1 2.71Å; H288-E370 PolarHBondContact N-OE2 3.4Å; V290-E370 HydrophobicContact CG2-CB 4.35Å; M368-E370 PolarHBondContact O-N 3.2Å; E370-T372 VanDerWaalsContact C-N 3.35Å; E370-T372 PolarHBondContact O-N 3.44Å |
| 371 | A | 86.3 | Confident | 92.4 | Very high | 95 Ų | 95 | 37.7 Ų | 37.7 | 79% | 0.785 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -12.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V369 | V369-A371 VanDerWaalsContact C-N 3.29Å; V369-A371 PolarHBondContact O-N 2.98Å; V369-A371 VanDerWaalsContact O-N 3.11Å |
| 372 | T | 87 | Confident | 92.4 | Very high | 64 Ų | 64 | 37.7 Ų | 37.7 | 39% | 0.393 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.3 | -4.7 | -177.3 | 64.2 | 0 | 0 | 0 | 0 | 114.5 | V369 E370 M374 | V369-T372 PolarHBondContact O-N 3.26Å; E370-T372 VanDerWaalsContact C-N 3.35Å; E370-T372 PolarHBondContact O-N 3.44Å; T372-M374 PolarHBondContact O-N 2.87Å; T372-M374 PolarHBondContact OG1-N 3.31Å |
| 373 | A | 89.3 | Confident | 92.3 | Very high | 70 Ų | 70 | 37.8 Ų | 37.8 | 58% | 0.579 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 16.3 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | M368 V369 T375 | M368-A373 VanDerWaalsContact SD-O 3.4Å; V369-A373 PolarHBondContact O-N 3.26Å; A373-T375 PolarHBondContact O-N 2.91Å |
| 374 | M | 88.8 | Confident | 92.2 | Very high | 70 Ų | 70 | 38.1 Ų | 38.1 | 35% | 0.345 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.6 | -179.5 | -65.5 | -174.2 | 79.3 | 0 | 0 | 110.5 | A251 P253 M368 V369 T372 | A251-M374 HydrophobicContact CB-SD 4.27Å; A251-M374 VanDerWaalsContact O-SD 3.42Å; P253-M374 HydrophobicContact CG-CB 4.21Å; M368-M374 WeakPolarHBondContact CA-O 3.35Å; V369-M374 PolarHBondContact N-O 3.31Å; V369-M374 VanDerWaalsContact N-O 3.07Å; T372-M374 PolarHBondContact O-N 2.87Å; T372-M374 PolarHBondContact OG1-N 3.31Å |
| 375 | T | 90.3 | Very high | 92 | Very high | 114 Ų | 114 | 44.3 Ų | 44.3 | 70% | 0.699 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 137.2 | 171 | 54 | 0 | 0 | 0 | 0 | 111.3 | G367 M368 A373 | G367-T375 CarbonylContact O-C 3.55Å; G367-T375 WeakPolarHBondContact O-CA 3.37Å; M368-T375 HydrophobicContact CG-CG2 3.76Å; M368-T375 HydrophobicContact SD-CG2 4.46Å; A373-T375 PolarHBondContact O-N 2.91Å |
| 376 | T | 89 | Confident | 92.1 | Very high | 14 Ų | 14 | 46 Ų | 46 | 9% | 0.086 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 136 | -176.6 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | G367 V369 F378 | G367-T376 PolarHBondContact N-O 3.31Å; G367-T376 VanDerWaalsContact O-CG2 3.28Å; G367-T376 WeakPolarHBondContact O-CG2 3.27Å; G367-T376 PolarHBondContact O-N 3.01Å; V369-T376 HydrophobicContact CG2-CG2 3.57Å; T376-F378 HydrophobicContact CG2-CE1 4.42Å; T376-F378 HydrophobicContact CG2-CE2 3.57Å; T376-F378 HydrophobicContact CG2-CZ 3.33Å; T376-F378 WeakPolarHBondContact OG1-CE1 3.47Å; T376-F378 WeakPolarHBondContact OG1-CZ 3.34Å |
| 377 | Q | 91.2 | Very high | 92.2 | Very high | 70 Ų | 70 | 44.5 Ų | 44.5 | 33% | 0.327 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 127 | -175.7 | -172.4 | -173.3 | 87.2 | 0 | 0 | 109.9 | N257 I364 E366 R379 | N257-Q377 PolarHBondContact ND2-O 3.4Å; I364-Q377 HydrophobicContact CG2-CG 3.46Å; I364-Q377 VanDerWaalsContact CG2-CG 3.46Å; E366-Q377 HydrophobicContact CG-CB 4.12Å; E366-Q377 HydrophobicContact CG-CG 3.73Å; E366-Q377 PolarHBondContact OE1-NE2 2.7Å; Q377-R379 HydrophobicContact CG-CG 4.24Å |
| 378 | F | 91.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 132.5 | 177.8 | -48.4 | -75.3 | 0 | 0 | 0 | 108.7 | R256 N257 L260 F262 I364 L365 T376 | R256-F378 HydrophobicContact CB-CE1 4.31Å; R256-F378 HydrophobicContact CB-CZ 4.3Å; R256-F378 HydrophobicContact CG-CE1 4.34Å; R256-F378 HydrophobicContact CG-CZ 3.97Å; N257-F378 VanDerWaalsContact CA-CE1 3.47Å; N257-F378 HydrophobicContact CB-CD1 3.94Å; N257-F378 HydrophobicContact CB-CE1 4.01Å; N257-F378 VanDerWaalsContact CG-CE1 3.47Å; N257-F378 WeakPolarHBondContact ND2-CD1 3.44Å; N257-F378 WeakPolarHBondContact OD1-CE1 3.31Å; L260-F378 HydrophobicContact CB-CG 4.46Å; L260-F378 HydrophobicContact CD1-CD1 4Å; L260-F378 HydrophobicContact CD1-CD2 3.35Å; L260-F378 HydrophobicContact CD1-CE1 3.8Å; L260-F378 HydrophobicContact CD1-CE2 3.11Å; L260-F378 HydrophobicContact CD1-CG 3.78Å; L260-F378 HydrophobicContact CD1-CZ 3.34Å; F262-F378 HydrophobicContact CE2-CB 4.14Å; I364-F378 CarbonylContact C-O 3.58Å; I364-F378 WeakPolarHBondContact CA-O 3.21Å; L365-F378 HydrophobicContact CB-CB 4.33Å; L365-F378 HydrophobicContact CB-CD2 4.46Å; L365-F378 HydrophobicContact CD2-CD2 4.3Å; L365-F378 HydrophobicContact CG-CD2 4.22Å; L365-F378 PolarHBondContact N-O 3.05Å; L365-F378 WeakPolarHBondContact O-CD2 3.14Å; L365-F378 PolarHBondContact O-N 3.32Å; T376-F378 HydrophobicContact CG2-CE1 4.42Å; T376-F378 HydrophobicContact CG2-CE2 3.57Å; T376-F378 HydrophobicContact CG2-CZ 3.33Å; T376-F378 WeakPolarHBondContact OG1-CE1 3.47Å; T376-F378 WeakPolarHBondContact OG1-CZ 3.34Å |
| 379 | R | 94.7 | Very high | 92.7 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 26% | 0.26 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146.9 | -175.6 | -62.2 | 177.5 | -61.5 | -77.9 | -11.1 | 110.5 | V91 G95 V363 I364 Q377 | V91-R379 HydrophobicContact CG1-CB 4.15Å; G95-R379 WeakPolarHBondContact CA-O 3.33Å; G95-R379 PolarHBondContact N-O 3.29Å; G95-R379 PolarHBondContact O-NE 2.75Å; G95-R379 PolarHBondContact O-NH2 2.85Å; V363-R379 WeakPolarHBondContact O-CA 3.48Å; I364-R379 HydrophobicContact CG1-CG 4.29Å; I364-R379 HydrophobicContact CG2-CG 4.21Å; Q377-R379 HydrophobicContact CG-CG 4.24Å |
| 380 | S | 96.1 | Very high | 93 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 179.2 | 164.8 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | K93 V363 | K93-S380 PolarHBondContact O-OG 3.36Å; V363-S380 PolarHBondContact N-O 3.02Å; V363-S380 PolarHBondContact O-N 2.82Å |
| 381 | S | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 164.1 | 169 | 81.9 | 0 | 0 | 0 | 0 | 113.1 | R89 V91 K93 E360 I361 | R89-S381 WeakPolarHBondContact CD-OG 3.38Å; R89-S381 PolarHBondContact NH1-O 3.4Å; R89-S381 PolarHBondContact NH1-OG 2.9Å; V91-S381 PolarHBondContact O-OG 3.15Å; K93-S381 WeakPolarHBondContact CD-O 3.27Å; K93-S381 VanDerWaalsContact CE-O 3.23Å; K93-S381 WeakPolarHBondContact CE-O 3.47Å; K93-S381 PolarHBondContact NZ-O 2.84Å; E360-S381 WeakPolarHBondContact OE1-CB 3.39Å; E360-S381 PolarHBondContact OE1-OG 3.32Å; I361-S381 CarbonylContact O-C 3.46Å; I361-S381 WeakPolarHBondContact O-CA 3.3Å; I361-S381 VanDerWaalsContact O-CB 3.26Å; I361-S381 WeakPolarHBondContact O-CB 3.26Å |
| 382 | Y | 97.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.4 | 175.4 | -54.7 | -79.5 | 0 | 0 | 0 | 108.6 | K93 S263 A266 W279 E360 I361 V363 E386 | K93-Y382 VanDerWaalsContact NZ-CD1 3.26Å; S263-Y382 WeakPolarHBondContact O-CE1 3.32Å; S263-Y382 PolarHBondContact O-OH 3.05Å; S263-Y382 VanDerWaalsContact O-OH 3.07Å; S263-Y382 PolarHBondContact OG-OH 3.49Å; A266-Y382 HydrophobicContact CB-CD1 3.92Å; A266-Y382 HydrophobicContact CB-CD2 4.04Å; A266-Y382 HydrophobicContact CB-CE1 4.25Å; A266-Y382 HydrophobicContact CB-CE2 4.33Å; A266-Y382 HydrophobicContact CB-CG 3.83Å; W279-Y382 HydrophobicContact CB-CE2 3.85Å; W279-Y382 HydrophobicContact CG-CE2 4.05Å; E360-Y382 CarbonylContact C-O 3.6Å; E360-Y382 WeakPolarHBondContact CA-O 3.41Å; I361-Y382 PolarHBondContact N-O 3.49Å; I361-Y382 PolarHBondContact O-N 3.05Å; V363-Y382 HydrophobicContact CB-CE2 4.39Å; V363-Y382 HydrophobicContact CG1-CD2 4.06Å; V363-Y382 HydrophobicContact CG1-CE2 3.78Å; V363-Y382 HydrophobicContact CG2-CD2 4.39Å; V363-Y382 HydrophobicContact CG2-CE2 3.67Å; Y382-E386 WeakPolarHBondContact CA-OE2 3.35Å |
| 383 | L | 95.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 156 | 166.4 | -61.5 | 172.4 | 0 | 0 | 0 | 108.7 | R89 E360 R385 E386 | R89-L383 HydrophobicContact CB-CD1 4.43Å; R89-L383 HydrophobicContact CB-CD2 4.36Å; R89-L383 HydrophobicContact CG-CD2 4.17Å; R89-L383 HydrophobicContact CG-CG 4.5Å; E360-L383 HydrophobicContact CB-CD2 3.84Å; E360-L383 HydrophobicContact CG-CD2 3.93Å; L383-R385 VanDerWaalsContact C-N 3.28Å; L383-R385 HydrophobicContact CB-CG 4.38Å; L383-R385 PolarHBondContact O-N 2.87Å; L383-R385 VanDerWaalsContact O-N 3.15Å; L383-E386 HydrophobicContact CB-CG 4.33Å; L383-E386 PolarHBondContact N-OE2 3.26Å; L383-E386 WeakPolarHBondContact O-CA 3.42Å; L383-E386 WeakPolarHBondContact O-CB 3.07Å; L383-E386 PolarHBondContact O-N 2.96Å |
| 384 | A | 94.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 5% | 0.05 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -42.9 | -51.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L354 D357 F359 E386 I387 | L354-A384 HydrophobicContact CD1-CB 4Å; D357-A384 WeakPolarHBondContact O-CB 3.35Å; F359-A384 HydrophobicContact CD1-CB 4.18Å; F359-A384 HydrophobicContact CE1-CB 3.9Å; F359-A384 HydrophobicContact CE2-CB 4.34Å; F359-A384 HydrophobicContact CZ-CB 4Å; F359-A384 PolarHBondContact O-N 2.89Å; A384-E386 PolarHBondContact O-N 3.02Å; A384-I387 WeakPolarHBondContact O-CB 3.46Å; A384-I387 PolarHBondContact O-N 3.25Å |
| 385 | R | 93.3 | Very high | 95.1 | Very high | 147 Ų | 147 | 42.6 Ų | 42.6 | 56% | 0.555 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -62 | -7.8 | 175.8 | 70.8 | 175.3 | 172.8 | -79.7 | 6.9 | 117.3 | V86 L383 | V86-R385 VanDerWaalsContact CG1-CZ 3.49Å; L383-R385 VanDerWaalsContact C-N 3.28Å; L383-R385 HydrophobicContact CB-CG 4.38Å; L383-R385 PolarHBondContact O-N 2.87Å; L383-R385 VanDerWaalsContact O-N 3.15Å |
| 386 | E | 95.9 | Very high | 95.3 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 17% | 0.173 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -103 | -1 | 176.3 | -57.1 | -178 | 136 | 0 | 0 | 112.5 | R89 K93 N265 A266 Y382 L383 A384 | R89-E386 IonicContact CZ-OE1 3.96Å; R89-E386 IonicContact CZ-OE2 3.62Å; R89-E386 IonicContact NH1-OE2 3.77Å; R89-E386 PolarHBondContact NH1-OE2 3.44Å; R89-E386 IonicContact NH2-OE1 3.56Å; R89-E386 PolarHBondContact NH2-OE1 3.48Å; R89-E386 IonicContact NH2-OE2 2.78Å; R89-E386 PolarHBondContact NH2-OE2 3.23Å; K93-E386 WeakPolarHBondContact CE-OE1 3.47Å; K93-E386 WeakPolarHBondContact CE-OE2 3.25Å; K93-E386 VanDerWaalsContact NZ-CD 3.31Å; K93-E386 IonicContact NZ-OE1 2.62Å; K93-E386 IonicContact NZ-OE2 3.6Å; K93-E386 PolarHBondContact NZ-OE2 3.49Å; N265-E386 WeakPolarHBondContact CA-O 3.43Å; N265-E386 WeakPolarHBondContact CB-O 3.47Å; N265-E386 PolarHBondContact ND2-O 3Å; A266-E386 PolarHBondContact N-O 3.41Å; Y382-E386 WeakPolarHBondContact CA-OE2 3.35Å; L383-E386 HydrophobicContact CB-CG 4.33Å; L383-E386 PolarHBondContact N-OE2 3.26Å; L383-E386 WeakPolarHBondContact O-CA 3.42Å; L383-E386 WeakPolarHBondContact O-CB 3.07Å; L383-E386 PolarHBondContact O-N 2.96Å; A384-E386 PolarHBondContact O-N 3.02Å |
| 387 | I | 97.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 40.4 Ų | 40.4 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 117.9 | 173.4 | -51.2 | 179.7 | 0 | 0 | 0 | 106.9 | A266 I268 L277 L354 F359 I361 A384 | A266-I387 HydrophobicContact CB-CG1 4.29Å; A266-I387 HydrophobicContact CB-CG2 4.43Å; A266-I387 CarbonylContact O-C 3.56Å; A266-I387 WeakPolarHBondContact O-CA 3.36Å; I268-I387 HydrophobicContact CD1-CG2 3.74Å; I268-I387 HydrophobicContact CG1-CG2 3.73Å; L277-I387 HydrophobicContact CD1-CD1 4.4Å; L277-I387 HydrophobicContact CD1-CG2 3.78Å; L354-I387 HydrophobicContact CD1-CB 4.15Å; L354-I387 HydrophobicContact CD1-CD1 4.19Å; L354-I387 HydrophobicContact CD2-CB 4.14Å; L354-I387 HydrophobicContact CD2-CG2 4.11Å; F359-I387 HydrophobicContact CE2-CD1 3.65Å; F359-I387 HydrophobicContact CZ-CD1 4.01Å; I361-I387 HydrophobicContact CD1-CD1 3.8Å; I361-I387 HydrophobicContact CG1-CD1 4.48Å; A384-I387 WeakPolarHBondContact O-CB 3.46Å; A384-I387 PolarHBondContact O-N 3.25Å |
| 388 | F | 96.9 | Very high | 95.6 | Very high | 71 Ų | 71 | 42.5 Ų | 42.5 | 31% | 0.311 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 111.5 | -179.6 | -62.8 | -21.1 | 0 | 0 | 0 | 110.5 | N265 A266 V267 I268 H391 | N265-F388 HydrophobicContact CB-CD2 4.08Å; N265-F388 HydrophobicContact CB-CE2 4Å; N265-F388 HydrophobicContact CB-CZ 4.42Å; N265-F388 WeakPolarHBondContact ND2-CE1 3.47Å; N265-F388 WeakPolarHBondContact ND2-CZ 3.05Å; A266-F388 PolarHBondContact O-N 3.34Å; V267-F388 CarbonylContact C-O 3.56Å; V267-F388 VanDerWaalsContact CA-O 3.27Å; V267-F388 WeakPolarHBondContact CA-O 3.48Å; V267-F388 HydrophobicContact CG1-CB 4.34Å; I268-F388 PolarHBondContact N-O 3.13Å; F388-H391 HydrophobicContact CB-CB 3.85Å |
| 389 | W | 97.1 | Very high | 95.7 | Very high | 14 Ų | 14 | 48.6 Ų | 48.6 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 142.1 | 173.1 | -163.2 | -75 | 0 | 0 | 0 | 110.8 | I268 L275 L349 R351 L354 H391 P421 L423 | I268-W389 HydrophobicContact CB-CD2 4.41Å; I268-W389 HydrophobicContact CB-CE3 4.22Å; I268-W389 HydrophobicContact CD1-CE3 3.93Å; I268-W389 HydrophobicContact CD1-CZ3 4.01Å; I268-W389 HydrophobicContact CG2-CD2 4.12Å; I268-W389 HydrophobicContact CG2-CE3 4Å; I268-W389 HydrophobicContact CG2-CH2 4.27Å; I268-W389 HydrophobicContact CG2-CZ2 4.36Å; I268-W389 HydrophobicContact CG2-CZ3 4.08Å; I268-W389 CarbonylContact O-C 3.53Å; L275-W389 HydrophobicContact CD1-CZ2 4.44Å; L275-W389 HydrophobicContact CD2-CH2 3.78Å; L275-W389 HydrophobicContact CD2-CZ2 3.93Å; L349-W389 WeakPolarHBondContact O-CH2 3.45Å; R351-W389 HydrophobicContact CB-CD2 3.74Å; R351-W389 HydrophobicContact CB-CE3 4.19Å; R351-W389 HydrophobicContact CB-CG 3.87Å; R351-W389 HydrophobicContact CB-CZ2 4.47Å; R351-W389 HydrophobicContact CG-CB 4.03Å; R351-W389 HydrophobicContact CG-CD2 4.21Å; R351-W389 HydrophobicContact CG-CG 3.83Å; L354-W389 HydrophobicContact CD2-CB 4.32Å; L354-W389 HydrophobicContact CD2-CE3 3.92Å; W389-H391 VanDerWaalsContact C-N 3.31Å; W389-H391 PolarHBondContact O-N 2.87Å; W389-H391 PolarHBondContact O-ND1 2.69Å; W389-P421 PolarHBondContact NE1-O 2.88Å; W389-L423 WeakPolarHBondContact CZ2-O 3.42Å |
| 390 | G | 96 | Very high | 95.5 | Very high | 4 Ų | 4 | 48 Ų | 48 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 31.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I268 E416 V417 T420 | I268-G390 WeakPolarHBondContact O-CA 3.5Å; I268-G390 PolarHBondContact O-N 3.44Å; G390-E416 CarbonylContact O-C 3.54Å; G390-V417 PolarHBondContact O-N 3.32Å; G390-T420 WeakPolarHBondContact CA-OG1 3.36Å |
| 391 | H | 97.3 | Very high | 95.2 | Very high | 40 Ų | 40 | 58.3 Ų | 58.3 | 19% | 0.185 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 152 | -179.1 | -78.9 | 66.1 | 0 | 0 | 0 | 112.1 | V267 A269 F388 W389 Y415 | V267-H391 HydrophobicContact CB-CB 4.01Å; V267-H391 WeakPolarHBondContact CB-O 3.36Å; V267-H391 HydrophobicContact CG1-CB 3.77Å; V267-H391 VanDerWaalsContact CG2-O 3.3Å; V267-H391 WeakPolarHBondContact CG2-O 3.34Å; A269-H391 WeakPolarHBondContact CB-O 3.46Å; F388-H391 HydrophobicContact CB-CB 3.85Å; W389-H391 VanDerWaalsContact C-N 3.31Å; W389-H391 PolarHBondContact O-N 2.87Å; W389-H391 PolarHBondContact O-ND1 2.69Å; H391-Y415 WeakPolarHBondContact CA-O 3.47Å |
| 392 | R | 96.8 | Very high | 95 | Very high | 112 Ų | 112 | 65.8 Ų | 65.8 | 42% | 0.423 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 148.9 | 171.6 | -72.4 | 177.2 | 75.4 | -171.1 | 3.5 | 110.1 | A269 T414 Y415 V417 | A269-R392 HydrophobicContact CB-CG 4.03Å; R392-T414 CarbonylContact O-C 3.6Å; R392-T414 WeakPolarHBondContact O-CA 3.42Å; R392-Y415 HydrophobicContact CB-CE1 3.9Å; R392-Y415 HydrophobicContact CB-CE2 3.91Å; R392-Y415 PolarHBondContact N-O 3.09Å; R392-Y415 WeakPolarHBondContact O-CD1 3.3Å; R392-Y415 PolarHBondContact O-N 2.96Å; R392-V417 HydrophobicContact CB-CG2 4.1Å; R392-V417 HydrophobicContact CG-CG2 3.79Å |
| 393 | F | 97.6 | Very high | 94.7 | Very high | 17 Ų | 17 | 74.6 Ų | 74.6 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 141.5 | 175.6 | -66.6 | -73.5 | 0 | 0 | 0 | 112 | V267 M278 R280 V335 N413 T414 Y415 | V267-F393 HydrophobicContact CG1-CE1 4.4Å; V267-F393 HydrophobicContact CG1-CE2 4.38Å; V267-F393 HydrophobicContact CG1-CZ 4.14Å; V267-F393 HydrophobicContact CG2-CD2 4.04Å; V267-F393 HydrophobicContact CG2-CE2 3.72Å; V267-F393 HydrophobicContact CG2-CZ 4.27Å; M278-F393 HydrophobicContact CB-CE2 4.35Å; R280-F393 HydrophobicContact CB-CE1 4.49Å; R280-F393 HydrophobicContact CB-CE2 4.42Å; R280-F393 HydrophobicContact CB-CZ 4.38Å; V335-F393 HydrophobicContact CG1-CD2 4.07Å; V335-F393 HydrophobicContact CG1-CE2 4.31Å; V335-F393 HydrophobicContact CG2-CD2 4.09Å; F393-N413 WeakPolarHBondContact CA-O 3.31Å; F393-T414 HydrophobicContact CD1-CG2 3.54Å; F393-T414 HydrophobicContact CE1-CG2 3.73Å; F393-T414 HydrophobicContact CG-CG2 4.31Å; F393-Y415 WeakPolarHBondContact O-CE1 3.03Å |
| 394 | E | 96.4 | Very high | 94.5 | Very high | 55 Ų | 55 | 82.1 Ų | 82.1 | 26% | 0.257 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 140.6 | 171.2 | -71.3 | -172.5 | 168 | 0 | 0 | 111.3 | R280 V396 R410 N413 Y415 | R280-E394 PolarHBondContact NH1-O 3.5Å; R280-E394 VanDerWaalsContact NH1-O 3.15Å; R280-E394 PolarHBondContact NH2-O 2.62Å; E394-V396 PolarHBondContact O-N 2.94Å; E394-R410 HydrophobicContact CB-CB 4.42Å; E394-R410 WeakPolarHBondContact OE2-CG 3.21Å; E394-N413 HydrophobicContact CB-CB 4.11Å; E394-N413 HydrophobicContact CG-CB 3.76Å; E394-N413 PolarHBondContact N-O 3.48Å; E394-N413 WeakPolarHBondContact OE2-CB 3.06Å; E394-N413 PolarHBondContact OE2-ND2 2.62Å; E394-Y415 HydrophobicContact CG-CD1 4.1Å |
| 395 | P | 94.8 | Very high | 94.4 | Very high | 99 Ų | 99 | 85.6 Ų | 85.6 | 64% | 0.643 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 133.1 | 169.3 | -22 | 33.7 | 0 | 0 | 0 | 111.3 | ||
| 396 | V | 94.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 80.9 Ų | 80.9 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | trans | -110.4 | -19.2 | 179 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | P333 E394 V406 D407 R410 | P333-V396 HydrophobicContact CB-CG2 3.89Å; P333-V396 HydrophobicContact CG-CG2 3.93Å; E394-V396 PolarHBondContact O-N 2.94Å; V396-V406 HydrophobicContact CB-CG1 4.28Å; V396-V406 HydrophobicContact CG2-CG1 4.13Å; V396-V406 CarbonylContact O-C 3.52Å; V396-V406 WeakPolarHBondContact O-CA 3.46Å; V396-D407 PolarHBondContact O-N 2.93Å; V396-R410 HydrophobicContact CG1-CB 4.1Å | ||
| 397 | I | 93.8 | Very high | 94.4 | Very high | 77 Ų | 77 | 81 Ų | 81 | 40% | 0.395 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.9 | -178 | -48.5 | 177.7 | 0 | 0 | 0 | 108.1 | S332 Y404 K405 V406 | S332-I397 WeakPolarHBondContact OG-CD1 3.43Å; I397-Y404 HydrophobicContact CG2-CD1 4.26Å; I397-K405 WeakPolarHBondContact CA-O 3.3Å; I397-V406 HydrophobicContact CG1-CG2 4.47Å |
| 398 | Y | 92.8 | Very high | 94.2 | Very high | 114 Ų | 114 | 84.1 Ų | 84.1 | 45% | 0.447 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 148.1 | 173.9 | 59.5 | -77.2 | 0 | 0 | 0 | 109.9 | K405 D407 | Y398-K405 HydrophobicContact CD1-CB 4.2Å; Y398-K405 WeakPolarHBondContact CD1-O 3.36Å; Y398-K405 HydrophobicContact CD2-CB 4.09Å; Y398-K405 HydrophobicContact CE1-CB 3.65Å; Y398-K405 HydrophobicContact CE2-CB 3.58Å; Y398-K405 HydrophobicContact CE2-CD 3.8Å; Y398-K405 HydrophobicContact CE2-CG 4.29Å; Y398-K405 HydrophobicContact CG-CB 4.39Å; Y398-K405 PolarHBondContact N-O 3.45Å; Y398-K405 PolarHBondContact O-N 2.95Å; Y398-D407 HydrophobicContact CE1-CB 3.95Å |
| 399 | E | 93.4 | Very high | 94.1 | Very high | 133 Ų | 133 | 84.5 Ų | 84.5 | 62% | 0.621 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 130.1 | 176.7 | -170.7 | 169.8 | -172.8 | 0 | 0 | 109.7 | Y404 | E399-Y404 HydrophobicContact CB-CD1 4.14Å; E399-Y404 HydrophobicContact CB-CE1 4Å; E399-Y404 HydrophobicContact CG-CD1 4.4Å; E399-Y404 HydrophobicContact CG-CE1 4.05Å |
| 400 | D | 90.3 | Very high | 94 | Very high | 58 Ų | 58 | 89.9 Ų | 89.9 | 31% | 0.31 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 103 | 172.8 | 179 | 29.3 | 0 | 0 | 0 | 109.6 | N402 R403 K405 | D400-N402 PolarHBondContact O-N 3.34Å; D400-R403 PolarHBondContact N-O 3.41Å; D400-R403 PolarHBondContact O-N 2.85Å; D400-R403 VanDerWaalsContact O-N 3.1Å; D400-K405 HydrophobicContact CB-CD 3.87Å; D400-K405 HydrophobicContact CB-CG 4.39Å; D400-K405 WeakPolarHBondContact OD2-CE 3.33Å; D400-K405 IonicContact OD2-NZ 3.55Å; D400-K405 PolarHBondContact OD2-NZ 2.9Å |
| 401 | R | 90.9 | Very high | 94 | Very high | 218 Ų | 218 | 89.7 Ų | 89.7 | 82% | 0.823 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | -93.2 | -175.6 | -52.5 | 175.1 | -170 | -170.3 | -1.4 | 112 | ||
| 402 | N | 92.3 | Very high | 93.9 | Very high | 157 Ų | 157 | 89.8 Ų | 89.8 | 84% | 0.84 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 15 | -176.9 | -66.9 | 38.1 | 0 | 0 | 0 | 112.2 | D400 | D400-N402 PolarHBondContact O-N 3.34Š|
| 403 | R | 90.6 | Very high | 94 | Very high | 187 Ų | 187 | 87.7 Ų | 87.7 | 71% | 0.706 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 137.4 | 179.8 | -68.3 | -172.8 | -69 | -168.1 | -3.6 | 111.8 | D400 | D400-R403 PolarHBondContact N-O 3.41Å; D400-R403 PolarHBondContact O-N 2.85Å; D400-R403 VanDerWaalsContact O-N 3.1Å |
| 404 | Y | 92.7 | Very high | 94 | Very high | 165 Ų | 165 | 88.7 Ų | 88.7 | 65% | 0.647 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 134 | 165.8 | -61.5 | -67.2 | 0 | 0 | 0 | 110.5 | I397 E399 | I397-Y404 HydrophobicContact CG2-CD1 4.26Å; E399-Y404 HydrophobicContact CB-CD1 4.14Å; E399-Y404 HydrophobicContact CB-CE1 4Å; E399-Y404 HydrophobicContact CG-CD1 4.4Å; E399-Y404 HydrophobicContact CG-CE1 4.05Å |
| 405 | K | 92.3 | Very high | 94 | Very high | 79 Ų | 79 | 90.3 Ų | 90.3 | 34% | 0.343 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 151.8 | 173.5 | -72 | -178.5 | 172.6 | 177.2 | 0 | 109.6 | I397 Y398 D400 | I397-K405 WeakPolarHBondContact CA-O 3.3Å; Y398-K405 HydrophobicContact CD1-CB 4.2Å; Y398-K405 WeakPolarHBondContact CD1-O 3.36Å; Y398-K405 HydrophobicContact CD2-CB 4.09Å; Y398-K405 HydrophobicContact CE1-CB 3.65Å; Y398-K405 HydrophobicContact CE2-CB 3.58Å; Y398-K405 HydrophobicContact CE2-CD 3.8Å; Y398-K405 HydrophobicContact CE2-CG 4.29Å; Y398-K405 HydrophobicContact CG-CB 4.39Å; Y398-K405 PolarHBondContact N-O 3.45Å; Y398-K405 PolarHBondContact O-N 2.95Å; D400-K405 HydrophobicContact CB-CD 3.87Å; D400-K405 HydrophobicContact CB-CG 4.39Å; D400-K405 WeakPolarHBondContact OD2-CE 3.33Å; D400-K405 IonicContact OD2-NZ 3.55Å; D400-K405 PolarHBondContact OD2-NZ 2.9Å |
| 406 | V | 93.9 | Very high | 94 | Very high | 48 Ų | 48 | 91 Ų | 91 | 29% | 0.291 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 115.6 | -178.5 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | P333 V396 I397 Y408 | P333-V406 HydrophobicContact CG-CG1 3.71Å; V396-V406 HydrophobicContact CB-CG1 4.28Å; V396-V406 HydrophobicContact CG2-CG1 4.13Å; V396-V406 CarbonylContact O-C 3.52Å; V396-V406 WeakPolarHBondContact O-CA 3.46Å; I397-V406 HydrophobicContact CG1-CG2 4.47Å; V406-Y408 HydrophobicContact CB-CD2 4.43Å; V406-Y408 HydrophobicContact CB-CE2 4.19Å; V406-Y408 HydrophobicContact CG1-CD2 3.89Å; V406-Y408 HydrophobicContact CG1-CE2 3.67Å; V406-Y408 HydrophobicContact CG1-CG 4.48Å; V406-Y408 PolarHBondContact O-N 2.99Å |
| 407 | D | 94 | Very high | 94 | Very high | 40 Ų | 40 | 92 Ų | 92 | 21% | 0.214 | 42% | 0.423 | C | S | . | . | trans | -85.1 | 96 | 174.1 | -175.6 | -2.1 | 0 | 0 | 0 | 110.3 | V396 Y398 A409 R410 | V396-D407 PolarHBondContact O-N 2.93Å; Y398-D407 HydrophobicContact CE1-CB 3.95Å; D407-A409 PolarHBondContact O-N 2.03Å; D407-A409 WeakPolarHBondContact OD1-CB 3.43Å; D407-A409 PolarHBondContact OD1-N 3.32Å; D407-R410 PolarHBondContact O-N 3.21Å; D407-R410 IonicContact OD2-CZ 2.78Å; D407-R410 IonicContact OD2-NE 2.84Å; D407-R410 PolarHBondContact OD2-NE 3.38Å; D407-R410 IonicContact OD2-NH2 2.69Å | ||
| 408 | Y | 93.3 | Very high | 93.8 | Very high | 72 Ų | 72 | 94.3 Ų | 94.3 | 28% | 0.282 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -69.4 | -14.2 | 177.1 | -85.9 | -78 | 0 | 0 | 0 | 114.1 | N283 L284 P333 V406 R410 F411 | N283-Y408 PolarHBondContact O-OH 3.41Å; L284-Y408 HydrophobicContact CD2-CD1 3.87Å; L284-Y408 HydrophobicContact CD2-CD2 4.4Å; L284-Y408 HydrophobicContact CD2-CE1 3.82Å; L284-Y408 HydrophobicContact CD2-CE2 4.33Å; L284-Y408 HydrophobicContact CD2-CG 4.18Å; P333-Y408 HydrophobicContact CG-CE1 3.91Å; V406-Y408 HydrophobicContact CB-CD2 4.43Å; V406-Y408 HydrophobicContact CB-CE2 4.19Å; V406-Y408 HydrophobicContact CG1-CD2 3.89Å; V406-Y408 HydrophobicContact CG1-CE2 3.67Å; V406-Y408 HydrophobicContact CG1-CG 4.48Å; V406-Y408 PolarHBondContact O-N 2.99Å; Y408-R410 PolarHBondContact O-N 3.03Å; Y408-F411 HydrophobicContact CD1-CB 3.97Å; Y408-F411 AromaticContact CD1-CD2 3.83Å; Y408-F411 HydrophobicContact CD1-CD2 3.83Å; Y408-F411 HydrophobicContact CD1-CG 4.03Å; Y408-F411 AromaticContact CE1-CD2 3.71Å; Y408-F411 HydrophobicContact CE1-CD2 3.71Å; Y408-F411 HydrophobicContact CE1-CE2 4.15Å; Y408-F411 HydrophobicContact CE1-CG 4.35Å; Y408-F411 WeakPolarHBondContact O-CB 3.5Å; Y408-F411 PolarHBondContact O-N 2.76Å |
| 409 | A | 94.2 | Very high | 93.7 | Very high | 79 Ų | 79 | 93.5 Ų | 93.5 | 65% | 0.653 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -65.6 | -33 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | D407 | D407-A409 PolarHBondContact O-N 2.03Å; D407-A409 WeakPolarHBondContact OD1-CB 3.43Å; D407-A409 PolarHBondContact OD1-N 3.32Å |
| 410 | R | 94.6 | Very high | 93.7 | Very high | 127 Ų | 127 | 87.3 Ų | 87.3 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -87.8 | 0 | 176.3 | -57.4 | -178.6 | -146.4 | -150.6 | -0.4 | 114 | E394 V396 D407 Y408 H412 N413 | E394-R410 HydrophobicContact CB-CB 4.42Å; E394-R410 WeakPolarHBondContact OE2-CG 3.21Å; V396-R410 HydrophobicContact CG1-CB 4.1Å; D407-R410 PolarHBondContact O-N 3.21Å; D407-R410 IonicContact OD2-CZ 2.78Å; D407-R410 IonicContact OD2-NE 2.84Å; D407-R410 PolarHBondContact OD2-NE 3.38Å; D407-R410 IonicContact OD2-NH2 2.69Å; Y408-R410 PolarHBondContact O-N 3.03Å; R410-H412 PolarHBondContact O-N 3.4Å; R410-N413 PolarHBondContact O-N 2.84Å |
| 411 | F | 96.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 86.3 Ų | 86.3 | 0% | 0.004 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -38.9 | -175.4 | 178.2 | -89.7 | 0 | 0 | 0 | 113.1 | M261 R280 P333 Y408 | M261-F411 HydrophobicContact CB-CE1 3.86Å; M261-F411 HydrophobicContact CB-CZ 3.9Å; M261-F411 HydrophobicContact CE-CD1 4.34Å; M261-F411 HydrophobicContact CE-CE1 4.47Å; R280-F411 HydrophobicContact CB-CZ 4.36Å; R280-F411 WeakPolarHBondContact CD-O 3.16Å; R280-F411 HydrophobicContact CG-CD2 4.21Å; R280-F411 HydrophobicContact CG-CE2 3.61Å; R280-F411 HydrophobicContact CG-CZ 3.82Å; R280-F411 PolarHBondContact NH1-O 2.9Å; P333-F411 HydrophobicContact CB-CD2 3.88Å; P333-F411 HydrophobicContact CB-CE2 3.75Å; P333-F411 HydrophobicContact CG-CD2 3.81Å; P333-F411 HydrophobicContact CG-CE2 3.95Å; Y408-F411 HydrophobicContact CD1-CB 3.97Å; Y408-F411 AromaticContact CD1-CD2 3.83Å; Y408-F411 HydrophobicContact CD1-CD2 3.83Å; Y408-F411 HydrophobicContact CD1-CG 4.03Å; Y408-F411 AromaticContact CE1-CD2 3.71Å; Y408-F411 HydrophobicContact CE1-CD2 3.71Å; Y408-F411 HydrophobicContact CE1-CE2 4.15Å; Y408-F411 HydrophobicContact CE1-CG 4.35Å; Y408-F411 WeakPolarHBondContact O-CB 3.5Å; Y408-F411 PolarHBondContact O-N 2.76Å |
| 412 | H | 96.9 | Very high | 93.8 | Very high | 42 Ų | 42 | 80.7 Ų | 80.7 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -8.2 | 179.1 | -59.9 | -57.4 | 0 | 0 | 0 | 114.5 | M261 F262 K264 R410 | M261-H412 VanDerWaalsContact CE-NE2 3.28Å; M261-H412 WeakPolarHBondContact CE-NE2 3.41Å; F262-H412 PolarHBondContact O-CE1 2.8Å; K264-H412 HydrophobicContact CD-CB 4.2Å; K264-H412 HydrophobicContact CG-CB 4.43Å; K264-H412 PolarHBondContact N-ND1 3.24Å; R410-H412 PolarHBondContact O-N 3.4Å |
| 413 | N | 97.2 | Very high | 93.8 | Very high | 68 Ų | 68 | 77 Ų | 77 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | trans | -75.9 | 144.3 | -170.4 | -68.6 | 0.8 | 0 | 0 | 0 | 111.9 | F393 E394 R410 | F393-N413 WeakPolarHBondContact CA-O 3.31Å; E394-N413 HydrophobicContact CB-CB 4.11Å; E394-N413 HydrophobicContact CG-CB 3.76Å; E394-N413 PolarHBondContact N-O 3.48Å; E394-N413 WeakPolarHBondContact OE2-CB 3.06Å; E394-N413 PolarHBondContact OE2-ND2 2.62Å; R410-N413 PolarHBondContact O-N 2.84Å | ||
| 414 | T | 97.4 | Very high | 94 | Very high | 37 Ų | 37 | 68.3 Ų | 68.3 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.8 | 178.5 | 55.1 | 0 | 0 | 0 | 0 | 110.1 | V267 R392 F393 | V267-T414 HydrophobicContact CG1-CG2 3.61Å; R392-T414 CarbonylContact O-C 3.6Å; R392-T414 WeakPolarHBondContact O-CA 3.42Å; F393-T414 HydrophobicContact CD1-CG2 3.54Å; F393-T414 HydrophobicContact CE1-CG2 3.73Å; F393-T414 HydrophobicContact CG-CG2 4.31Å |
| 415 | Y | 96.5 | Very high | 94 | Very high | 89 Ų | 89 | 60.7 Ų | 60.7 | 35% | 0.349 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 149.4 | 171.9 | 61.8 | -88.2 | 0 | 0 | 0 | 110.5 | H391 R392 F393 E394 V417 | H391-Y415 WeakPolarHBondContact CA-O 3.47Å; R392-Y415 HydrophobicContact CB-CE1 3.9Å; R392-Y415 HydrophobicContact CB-CE2 3.91Å; R392-Y415 PolarHBondContact N-O 3.09Å; R392-Y415 WeakPolarHBondContact O-CD1 3.3Å; R392-Y415 PolarHBondContact O-N 2.96Å; F393-Y415 WeakPolarHBondContact O-CE1 3.03Å; E394-Y415 HydrophobicContact CG-CD1 4.1Å; Y415-V417 HydrophobicContact CD2-CG2 3.89Å; Y415-V417 HydrophobicContact CE2-CG2 3.62Å |
| 416 | E | 95.8 | Very high | 94.1 | Very high | 115 Ų | 115 | 60.9 Ų | 60.9 | 54% | 0.537 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 145.4 | 177.8 | -169.7 | 173.2 | -163.8 | 0 | 0 | 111.3 | G390 | G390-E416 CarbonylContact O-C 3.54Å |
| 417 | V | 94.9 | Very high | 94.1 | Very high | 26 Ų | 26 | 62.3 Ų | 62.3 | 16% | 0.158 | 33% | 0.326 | C | S | . | . | trans | -128.8 | 88 | -178.2 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | G390 R392 Y415 S419 T420 | G390-V417 PolarHBondContact O-N 3.32Å; R392-V417 HydrophobicContact CB-CG2 4.1Å; R392-V417 HydrophobicContact CG-CG2 3.79Å; Y415-V417 HydrophobicContact CD2-CG2 3.89Å; Y415-V417 HydrophobicContact CE2-CG2 3.62Å; V417-S419 WeakPolarHBondContact CG1-OG 3.37Å; V417-S419 PolarHBondContact O-N 3.18Å; V417-S419 VanDerWaalsContact O-N 3.1Å; V417-T420 WeakPolarHBondContact O-CB 3.28Å; V417-T420 PolarHBondContact O-N 3.14Å; V417-T420 PolarHBondContact O-OG1 2.87Å | ||
| 418 | T | 90.3 | Very high | 93.9 | Very high | 126 Ų | 126 | 62.3 Ų | 62.3 | 77% | 0.773 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -16.8 | -175.2 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | T420 | T418-T420 PolarHBondContact O-N 3.13Š|
| 419 | S | 90.8 | Very high | 93.8 | Very high | 96 Ų | 96 | 62.1 Ų | 62.1 | 67% | 0.671 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -5.4 | 172.9 | 56.9 | 0 | 0 | 0 | 0 | 114.2 | V417 P421 | V417-S419 WeakPolarHBondContact CG1-OG 3.37Å; V417-S419 PolarHBondContact O-N 3.18Å; V417-S419 VanDerWaalsContact O-N 3.1Å; S419-P421 WeakPolarHBondContact O-CD 3.25Å |
| 420 | T | 91.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -74.4 | 121.2 | 179 | -49.1 | 0 | 0 | 0 | 0 | 110.4 | A269 L275 G390 V417 T418 H422 | A269-T420 HydrophobicContact CB-CG2 4.44Å; L275-T420 HydrophobicContact CD1-CG2 4.39Å; G390-T420 WeakPolarHBondContact CA-OG1 3.36Å; V417-T420 WeakPolarHBondContact O-CB 3.28Å; V417-T420 PolarHBondContact O-N 3.14Å; V417-T420 PolarHBondContact O-OG1 2.87Å; T418-T420 PolarHBondContact O-N 3.13Å; T420-H422 PolarHBondContact O-CE1 3.11Å; T420-H422 PolarHBondContact O-ND1 3.36Å |
| 421 | P | 91.9 | Very high | 93.4 | Very high | 37 Ų | 37 | 58.1 Ų | 58.1 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | trans | -56.5 | 153.1 | 175.3 | -23.3 | 33.6 | 0 | 0 | 0 | 112.1 | L270 W389 S419 L428 | L270-P421 VanDerWaalsContact CD1-CD 3.42Å; L270-P421 HydrophobicContact CD1-CG 3.98Å; W389-P421 PolarHBondContact NE1-O 2.88Å; S419-P421 WeakPolarHBondContact O-CD 3.25Å; P421-L428 HydrophobicContact CB-CD1 4.28Å; P421-L428 HydrophobicContact CB-CD2 3.77Å; P421-L428 HydrophobicContact CG-CD1 4.34Å; P421-L428 HydrophobicContact CG-CD2 3.82Å | ||
| 422 | H | 92.2 | Very high | 92.9 | Very high | 100 Ų | 100 | 60.9 Ų | 60.9 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -97.9 | -3.4 | 175.6 | -59.5 | -13.6 | 0 | 0 | 0 | 113.1 | R351 T420 | R351-H422 HydrophobicContact CB-CB 3.96Å; R351-H422 PolarHBondContact N-O 3.27Å; R351-H422 VanDerWaalsContact N-O 3.07Å; R351-H422 PolarHBondContact NH1-CE1 3.36Å; R351-H422 PolarHBondContact NH1-NE2 3.24Å; T420-H422 PolarHBondContact O-CE1 3.11Å; T420-H422 PolarHBondContact O-ND1 3.36Å |
| 423 | L | 92.4 | Very high | 92.4 | Very high | 79 Ų | 79 | 62 Ų | 62 | 41% | 0.414 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -72.1 | 154.8 | 175.3 | -62.2 | 172.5 | 0 | 0 | 0 | 111.2 | W389 E427 L428 | W389-L423 WeakPolarHBondContact CZ2-O 3.42Å; L423-E427 HydrophobicContact CB-CB 4.04Å; L423-E427 HydrophobicContact CD2-CB 4.43Å; L423-L428 HydrophobicContact CB-CD2 4.3Å; L423-L428 HydrophobicContact CB-CG 4.21Å; L423-L428 HydrophobicContact CD1-CD2 4.22Å |
| 424 | S | 94.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 66 Ų | 66 | 4% | 0.035 | 36% | 0.355 | C | S | . | . | trans | -65.7 | 159.8 | 169.7 | 62.5 | 0 | 0 | 0 | 0 | 112.3 | L349 K426 E427 L428 | L349-S424 WeakPolarHBondContact O-CA 3.47Å; L349-S424 WeakPolarHBondContact O-CB 3.49Å; S424-K426 PolarHBondContact O-N 3.47Å; S424-E427 WeakPolarHBondContact CB-OE2 3.48Å; S424-E427 PolarHBondContact N-OE2 3.37Å; S424-E427 PolarHBondContact O-N 2.75Å; S424-E427 VanDerWaalsContact OG-CD 3.29Å; S424-E427 VanDerWaalsContact OG-CG 3.25Å; S424-E427 WeakPolarHBondContact OG-CG 3.48Å; S424-E427 PolarHBondContact OG-N 3.08Å; S424-E427 PolarHBondContact OG-OE2 2.92Å; S424-L428 WeakPolarHBondContact O-CG 3.3Å; S424-L428 PolarHBondContact O-N 3.05Å; S424-L428 VanDerWaalsContact O-N 3.09Å | ||
| 425 | A | 93.4 | Very high | 90.8 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 4% | 0.041 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.7 | -39.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L275 I340 Y347 E427 L428 D429 | L275-A425 HydrophobicContact CB-CB 4.43Å; L275-A425 HydrophobicContact CD2-CB 4.21Å; I340-A425 HydrophobicContact CB-CB 4.14Å; I340-A425 HydrophobicContact CG2-CB 3.62Å; I340-A425 VanDerWaalsContact O-CB 3.29Å; I340-A425 WeakPolarHBondContact O-CB 3.21Å; Y347-A425 HydrophobicContact CD2-CB 3.79Å; Y347-A425 HydrophobicContact CE2-CB 4.16Å; Y347-A425 PolarHBondContact O-N 2.96Å; A425-E427 PolarHBondContact O-N 3.38Å; A425-L428 WeakPolarHBondContact O-CB 3.47Å; A425-L428 PolarHBondContact O-N 2.71Å; A425-D429 PolarHBondContact O-N 3.42Å |
| 426 | K | 94 | Very high | 89.7 | Confident | 83 Ų | 83 | 68.2 Ų | 68.2 | 36% | 0.361 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -56.1 | -48.4 | 173.3 | -178.6 | 178.4 | 169.5 | -175 | 0 | 113.5 | Y347 T348 S424 L428 D429 E430 | Y347-K426 HydrophobicContact CD1-CB 3.8Å; Y347-K426 HydrophobicContact CD1-CD 4.41Å; Y347-K426 HydrophobicContact CD1-CG 4.23Å; Y347-K426 HydrophobicContact CD2-CB 4.35Å; Y347-K426 HydrophobicContact CE1-CB 3.53Å; Y347-K426 HydrophobicContact CE1-CD 4.12Å; Y347-K426 HydrophobicContact CE1-CG 3.65Å; Y347-K426 HydrophobicContact CE2-CB 4.13Å; Y347-K426 HydrophobicContact CG-CB 4.2Å; Y347-K426 VanDerWaalsContact CZ-CA 3.44Å; Y347-K426 WeakPolarHBondContact O-CB 3.22Å; Y347-K426 PolarHBondContact O-N 3.33Å; T348-K426 HydrophobicContact CG2-CD 4Å; S424-K426 PolarHBondContact O-N 3.47Å; K426-L428 VanDerWaalsContact C-N 3.28Å; K426-L428 PolarHBondContact O-N 2.9Å; K426-D429 PolarHBondContact O-N 2.94Å; K426-E430 WeakPolarHBondContact CE-OE1 3.16Å; K426-E430 IonicContact NZ-OE1 3.9Å; K426-E430 WeakPolarHBondContact O-CB 3.48Å; K426-E430 WeakPolarHBondContact O-CG 3.49Å; K426-E430 PolarHBondContact O-N 3.07Å |
| 427 | E | 93.4 | Very high | 88.3 | Confident | 77 Ų | 77 | 66.8 Ų | 66.8 | 36% | 0.36 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -67.6 | -31.2 | -179.7 | -72.1 | 164.9 | 128 | 0 | 0 | 112.2 | L423 S424 A425 A431 | L423-E427 HydrophobicContact CB-CB 4.04Å; L423-E427 HydrophobicContact CD2-CB 4.43Å; S424-E427 WeakPolarHBondContact CB-OE2 3.48Å; S424-E427 PolarHBondContact N-OE2 3.37Å; S424-E427 PolarHBondContact O-N 2.75Å; S424-E427 VanDerWaalsContact OG-CD 3.29Å; S424-E427 VanDerWaalsContact OG-CG 3.25Å; S424-E427 WeakPolarHBondContact OG-CG 3.48Å; S424-E427 PolarHBondContact OG-N 3.08Å; S424-E427 PolarHBondContact OG-OE2 2.92Å; A425-E427 PolarHBondContact O-N 3.38Å; E427-A431 VanDerWaalsContact O-CB 3.27Å; E427-A431 WeakPolarHBondContact O-CB 3.36Å; E427-A431 PolarHBondContact O-N 3.13Å |
| 428 | L | 91.1 | Very high | 86.2 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 22% | 0.215 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.6 | -45.9 | 173.3 | -68.5 | 170 | 0 | 0 | 0 | 111.6 | P421 L423 S424 A425 K426 A431 A432 | P421-L428 HydrophobicContact CB-CD1 4.28Å; P421-L428 HydrophobicContact CB-CD2 3.77Å; P421-L428 HydrophobicContact CG-CD1 4.34Å; P421-L428 HydrophobicContact CG-CD2 3.82Å; L423-L428 HydrophobicContact CB-CD2 4.3Å; L423-L428 HydrophobicContact CB-CG 4.21Å; L423-L428 HydrophobicContact CD1-CD2 4.22Å; S424-L428 WeakPolarHBondContact O-CG 3.3Å; S424-L428 PolarHBondContact O-N 3.05Å; S424-L428 VanDerWaalsContact O-N 3.09Å; A425-L428 WeakPolarHBondContact O-CB 3.47Å; A425-L428 PolarHBondContact O-N 2.71Å; K426-L428 VanDerWaalsContact C-N 3.28Å; K426-L428 PolarHBondContact O-N 2.9Å; L428-A431 PolarHBondContact O-N 3.36Å; L428-A431 VanDerWaalsContact O-N 3.17Å; L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 2.95Å |
| 429 | D | 91.3 | Very high | 84.3 | Confident | 67 Ų | 67 | 69.6 Ų | 69.6 | 36% | 0.358 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 173.1 | -95 | 21.8 | 0 | 0 | 0 | 111.9 | K342 Y347 A425 K426 A431 A432 S433 | K342-D429 WeakPolarHBondContact CE-OD2 3.35Å; K342-D429 IonicContact NZ-OD2 3.47Å; K342-D429 PolarHBondContact NZ-OD2 2.89Å; Y347-D429 WeakPolarHBondContact OH-CB 3.27Å; Y347-D429 PolarHBondContact OH-OD2 3.18Å; A425-D429 PolarHBondContact O-N 3.42Å; K426-D429 PolarHBondContact O-N 2.94Å; D429-A431 VanDerWaalsContact C-N 3.3Å; D429-A431 PolarHBondContact O-N 3.45Å; D429-A432 PolarHBondContact O-N 2.89Å; D429-S433 WeakPolarHBondContact O-CB 3.11Å; D429-S433 PolarHBondContact O-N 2.96Å; D429-S433 PolarHBondContact O-OG 3.35Å |
| 430 | E | 91.3 | Very high | 82 | Confident | 86 Ų | 86 | 70.2 Ų | 70.2 | 40% | 0.402 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.1 | -30.3 | 175.5 | -74.5 | 179.2 | -171.6 | 0 | 0 | 112.2 | K426 S433 R434 | K426-E430 WeakPolarHBondContact CE-OE1 3.16Å; K426-E430 IonicContact NZ-OE1 3.9Å; K426-E430 WeakPolarHBondContact O-CB 3.48Å; K426-E430 WeakPolarHBondContact O-CG 3.49Å; K426-E430 PolarHBondContact O-N 3.07Å; E430-S433 WeakPolarHBondContact CA-OG 3.41Å; E430-S433 PolarHBondContact O-OG 2.94Å; E430-R434 WeakPolarHBondContact O-CB 3.46Å; E430-R434 VanDerWaalsContact O-CG 3.32Å; E430-R434 WeakPolarHBondContact O-CG 3.48Å; E430-R434 PolarHBondContact O-N 2.64Å; E430-R434 PolarHBondContact O-NE 3.17Å |
| 431 | A | 88.2 | Confident | 79.8 | Confident | 37 Ų | 37 | 76.2 Ų | 76.2 | 31% | 0.306 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -75.1 | -42.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E427 L428 D429 R434 A435 | E427-A431 VanDerWaalsContact O-CB 3.27Å; E427-A431 WeakPolarHBondContact O-CB 3.36Å; E427-A431 PolarHBondContact O-N 3.13Å; L428-A431 PolarHBondContact O-N 3.36Å; L428-A431 VanDerWaalsContact O-N 3.17Å; D429-A431 VanDerWaalsContact C-N 3.3Å; D429-A431 PolarHBondContact O-N 3.45Å; A431-R434 PolarHBondContact O-N 2.67Å; A431-A435 WeakPolarHBondContact O-CB 3.4Å; A431-A435 PolarHBondContact O-N 3.07Å |
| 432 | A | 86.4 | Confident | 77.6 | Confident | 59 Ų | 59 | 79.5 Ų | 79.5 | 49% | 0.488 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L428 D429 A435 S436 | L428-A432 WeakPolarHBondContact O-CB 3.45Å; L428-A432 PolarHBondContact O-N 2.95Å; D429-A432 PolarHBondContact O-N 2.89Å; A432-A435 PolarHBondContact O-N 3.19Å; A432-S436 PolarHBondContact O-N 3.15Å; A432-S436 PolarHBondContact O-OG 3Å |
| 433 | S | 84.9 | Confident | 75.1 | Confident | 66 Ų | 66 | 80.6 Ų | 80.6 | 46% | 0.462 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 173.1 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | D429 E430 S436 S437 | D429-S433 WeakPolarHBondContact O-CB 3.11Å; D429-S433 PolarHBondContact O-N 2.96Å; D429-S433 PolarHBondContact O-OG 3.35Å; E430-S433 WeakPolarHBondContact CA-OG 3.41Å; E430-S433 PolarHBondContact O-OG 2.94Å; S433-S436 WeakPolarHBondContact CA-OG 3.46Å; S433-S436 PolarHBondContact O-OG 3.24Å; S433-S436 VanDerWaalsContact O-OG 3.09Å; S433-S437 WeakPolarHBondContact O-CB 3.33Å; S433-S437 PolarHBondContact O-N 3.2Å; S433-S437 PolarHBondContact O-OG 3.11Å |
| 434 | R | 83.5 | Confident | 72.4 | Confident | 151 Ų | 151 | 80.9 Ų | 80.9 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.2 | -45.5 | 171.5 | -80.2 | 177.2 | -71.6 | 149.2 | -5.5 | 112.4 | E430 A431 S436 S437 T438 | E430-R434 WeakPolarHBondContact O-CB 3.46Å; E430-R434 VanDerWaalsContact O-CG 3.32Å; E430-R434 WeakPolarHBondContact O-CG 3.48Å; E430-R434 PolarHBondContact O-N 2.64Å; E430-R434 PolarHBondContact O-NE 3.17Å; A431-R434 PolarHBondContact O-N 2.67Å; R434-S436 VanDerWaalsContact C-N 3.34Å; R434-S436 PolarHBondContact O-N 3.01Å; R434-S437 WeakPolarHBondContact CA-OG 3.35Å; R434-S437 PolarHBondContact O-N 2.86Å; R434-S437 VanDerWaalsContact O-N 3.15Å; R434-S437 PolarHBondContact O-OG 2.81Å; R434-T438 PolarHBondContact O-N 3.12Å; R434-T438 PolarHBondContact O-OG1 3.08Å |
| 435 | A | 78.8 | Confident | 69.5 | Low | 73 Ų | 73 | 89 Ų | 89 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.8 | -42.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A431 A432 S437 | A431-A435 WeakPolarHBondContact O-CB 3.4Å; A431-A435 PolarHBondContact O-N 3.07Å; A432-A435 PolarHBondContact O-N 3.19Å; A435-S437 VanDerWaalsContact C-N 3.35Å |
| 436 | S | 73.4 | Confident | 66.5 | Low | 99 Ų | 99 | 100.4 Ų | 100.4 | 69% | 0.692 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.2 | -22.3 | 176.2 | 48.3 | 0 | 0 | 0 | 0 | 114.1 | A432 S433 R434 T438 | A432-S436 PolarHBondContact O-N 3.15Å; A432-S436 PolarHBondContact O-OG 3Å; S433-S436 WeakPolarHBondContact CA-OG 3.46Å; S433-S436 PolarHBondContact O-OG 3.24Å; S433-S436 VanDerWaalsContact O-OG 3.09Å; R434-S436 VanDerWaalsContact C-N 3.34Å; R434-S436 PolarHBondContact O-N 3.01Å; S436-T438 VanDerWaalsContact C-N 3.34Å |
| 437 | S | 66 | Low | 63.6 | Low | 86 Ų | 86 | 101.6 Ų | 101.6 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -6.2 | 176.9 | 73.8 | 0 | 0 | 0 | 0 | 115.2 | S433 R434 A435 P439 | S433-S437 WeakPolarHBondContact O-CB 3.33Å; S433-S437 PolarHBondContact O-N 3.2Å; S433-S437 PolarHBondContact O-OG 3.11Å; R434-S437 WeakPolarHBondContact CA-OG 3.35Å; R434-S437 PolarHBondContact O-N 2.86Å; R434-S437 VanDerWaalsContact O-N 3.15Å; R434-S437 PolarHBondContact O-OG 2.81Å; A435-S437 VanDerWaalsContact C-N 3.35Å; S437-P439 WeakPolarHBondContact O-CD 3.19Å |
| 438 | T | 51.5 | Low | 60.7 | Low | 95 Ų | 95 | 103.7 Ų | 103.7 | 58% | 0.583 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -87.4 | 114.2 | -178.2 | -50.9 | 0 | 0 | 0 | 0 | 110.2 | R434 S436 S440 | R434-T438 PolarHBondContact O-N 3.12Å; R434-T438 PolarHBondContact O-OG1 3.08Å; S436-T438 VanDerWaalsContact C-N 3.34Å; T438-S440 PolarHBondContact O-N 3.16Å |
| 439 | P | 49 | Very low | 58 | Low | 115 Ų | 115 | 109.3 Ų | 109.3 | 75% | 0.747 | 66% | 0.659 | S | S | * | * | trans | -71.4 | 115.4 | 179 | 28.2 | -33.2 | 0 | 0 | 0 | 110.6 | S437 | S437-P439 WeakPolarHBondContact O-CD 3.19Š| ||
| 440 | S | 43.9 | Very low | 55.1 | Low | 110 Ų | 110 | 114.1 Ų | 114.1 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | trans | -55.8 | 125.5 | 171.9 | -51.7 | 0 | 0 | 0 | 0 | 110.6 | T438 A442 | T438-S440 PolarHBondContact O-N 3.16Å; S440-A442 PolarHBondContact O-N 3.09Å; S440-A442 VanDerWaalsContact O-N 3.09Å | ||
| 441 | P | 45.1 | Very low | 52.3 | Low | 129 Ų | 129 | 118.2 Ų | 118.2 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | trans | -69 | 111 | 174.2 | 27.2 | -32.4 | 0 | 0 | 0 | 109.5 | S443 | P441-S443 PolarHBondContact O-N 2.96Š| ||
| 442 | A | 45.1 | Very low | 49.5 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 88% | 0.884 | 73% | 0.727 | S | S | * | * | trans | -72.5 | 119.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S440 | S440-A442 PolarHBondContact O-N 3.09Å; S440-A442 VanDerWaalsContact O-N 3.09Å | ||
| 443 | S | 39.5 | Very low | 46.6 | Very low | 122 Ų | 122 | 126.1 Ų | 126.1 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | -142.4 | 145 | 155.3 | 72.2 | 0 | 0 | 0 | 0 | 110 | P441 | P441-S443 PolarHBondContact O-N 2.96Š| ||
| 444 | A | 35.7 | Very low | 44 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | -98 | 172.4 | -156 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 445 | H | 33.4 | Very low | 41.3 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | trans | 71.7 | 108.6 | 167.7 | -65.8 | -75.5 | 0 | 0 | 0 | 118.8 | ||||
| 446 | R | 30.6 | Very low | 39.4 | Very low | 244 Ų | 244 | 136.3 Ų | 136.3 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | -158.4 | 136.7 | 87.4 | -105.7 | -179.9 | -178.9 | -177.2 | 0.8 | 113 | |||||
| 447 | S | 33 | Very low | 37.5 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -96.2 | 108.6 | 169.9 | 51.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 448 | T | 32.5 | Very low | 36.1 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -161.1 | 94.3 | 152.8 | 24.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 449 | Q | 34.8 | Very low | 35 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | 42.7 | 102.5 | 125 | -166.5 | 169.5 | 7.3 | 0 | 0 | 117.9 | |||||
| 450 | D | 31.5 | Very low | 34.1 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -126.5 | 126.4 | 141.2 | -99.3 | -37.5 | 0 | 0 | 0 | 109.3 | ||||
| 451 | F | 30.6 | Very low | 33.7 | Very low | 172 Ų | 172 | 146.4 Ų | 146.4 | 75% | 0.754 | 80% | 0.799 | S | S | * | * | trans | -80.6 | 139.8 | 167.3 | -98 | -118.2 | 0 | 0 | 0 | 108.3 | ||||
| 452 | I | 31.3 | Very low | 33.2 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | trans | -176.3 | 128.6 | 130.1 | -94.4 | 150.5 | 0 | 0 | 0 | 111 | ||||
| 453 | S | 25.5 | Very low | 33 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | 36.3 | 98.6 | 154.2 | -155.7 | 0 | 0 | 0 | 0 | 120.3 | S455 | S453-S455 VanDerWaalsContact C-N 3.28Å; S453-S455 PolarHBondContact O-N 3.07Å; S453-S455 PolarHBondContact OG-N 3.44Å | ||
| 454 | R | 29.5 | Very low | 33.1 | Very low | 261 Ų | 261 | 152.1 Ų | 152.1 | 99% | 0.985 | 79% | 0.787 | S | S | * | * | trans | -80.7 | 79.2 | 146.4 | -105.7 | -176.1 | 170.2 | -176.7 | -3.9 | 109.1 | ||||
| 455 | S | 27.6 | Very low | 33.6 | Very low | 93 Ų | 93 | 154 Ų | 154 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -73.4 | 144 | 163.9 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | S453 | S453-S455 VanDerWaalsContact C-N 3.28Å; S453-S455 PolarHBondContact O-N 3.07Å; S453-S455 PolarHBondContact OG-N 3.44Å | ||
| 456 | L | 38.2 | Very low | 33.4 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -62 | 135.7 | 170 | -67.3 | 83.6 | 0 | 0 | 0 | 109.9 | ||||
| 457 | T | 34.1 | Very low | 33.5 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | 174.5 | 110.9 | 128.3 | 25 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 458 | A | 35.9 | Very low | 33.3 | Very low | 96 Ų | 96 | 146.2 Ų | 146.2 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -156.5 | 87.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | C460 | A458-C460 PolarHBondContact O-N 2.88Š| ||
| 459 | F | 28.5 | Very low | 33.1 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -62.3 | 115.6 | -176.7 | -112.4 | -104.9 | 0 | 0 | 0 | 110 | ||||
| 460 | C | 29.9 | Very low | 33 | Very low | 113 Ų | 113 | 143.6 Ų | 143.6 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -78.1 | 132.9 | 158.5 | -61.6 | 0 | 0 | 0 | 0 | 107.3 | A458 | A458-C460 PolarHBondContact O-N 2.88Š| ||
| 461 | Y | 36.2 | Very low | 33.2 | Very low | 194 Ų | 194 | 144.9 Ų | 144.9 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | trans | -99 | 86.6 | 169.9 | -121.8 | -84 | 0 | 0 | 0 | 108 | ||||
| 462 | E | 33.7 | Very low | 33.4 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -82.1 | 126.1 | 156.6 | -74.1 | -174.4 | 143.5 | 0 | 0 | 107.7 | E464 | E462-E464 PolarHBondContact O-N 3.04Š| ||
| 463 | N | 41.4 | Very low | 33.4 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -93.3 | 76.7 | 169.7 | -90.1 | -16.4 | 0 | 0 | 0 | 109 | ||||
| 464 | E | 40.6 | Very low | 33.7 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -105 | 135.9 | 166.3 | -83.4 | -77.2 | 148.3 | 0 | 0 | 109.6 | E462 | E462-E464 PolarHBondContact O-N 3.04Š| ||
| 465 | V | 46.2 | Very low | 33.7 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -63.9 | 142.8 | -161.2 | 177.6 | 0 | 0 | 0 | 0 | 114.5 | L467 | V465-L467 HydrophobicContact CG1-CD1 4.33Š| ||
| 466 | A | 29.3 | Very low | 33.7 | Very low | 98 Ų | 98 | 151 Ų | 151 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -141.8 | 116 | 152.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 467 | L | 34.1 | Very low | 33.5 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -71.7 | 135.1 | 162.6 | -74 | 102.8 | 0 | 0 | 0 | 110.1 | V465 | V465-L467 HydrophobicContact CG1-CD1 4.33Š| ||
| 468 | S | 29 | Very low | 33.2 | Very low | 101 Ų | 101 | 154.7 Ų | 154.7 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -170.3 | 124.1 | 141.5 | 56.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 469 | C | 28.3 | Very low | 32.9 | Very low | 130 Ų | 130 | 156 Ų | 156 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | trans | 60.1 | 96.8 | 148.8 | -51.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 470 | A | 31.4 | Very low | 32.9 | Very low | 93 Ų | 93 | 152.5 Ų | 152.5 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | -166.8 | 98.3 | 111.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 471 | E | 35.3 | Very low | 32.9 | Very low | 197 Ų | 197 | 152.2 Ų | 152.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -80.2 | 113.4 | 155.5 | -69.4 | 171.9 | 156.1 | 0 | 0 | 105.8 | ||||
| 472 | E | 34.8 | Very low | 32.5 | Very low | 187 Ų | 187 | 150.6 Ų | 150.6 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -123.6 | 134.7 | 160.3 | -76.5 | -171.2 | 175.2 | 0 | 0 | 107.2 | ||||
| 473 | E | 31.6 | Very low | 32.2 | Very low | 179 Ų | 179 | 150.1 Ų | 150.1 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -88.1 | 136.7 | -153.1 | -62.8 | 156.9 | 136.9 | 0 | 0 | 111.9 | E475 | E473-E475 PolarHBondContact O-N 3.04Š| ||
| 474 | E | 31.8 | Very low | 31.5 | Very low | 201 Ų | 201 | 150.1 Ų | 150.1 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | trans | -81.7 | 99.3 | 158.7 | -73.7 | -174.3 | 150.9 | 0 | 0 | 107.9 | D476 | E474-D476 PolarHBondContact O-N 3.09Š| ||
| 475 | E | 31 | Very low | 30.9 | Very low | 185 Ų | 185 | 145.3 Ų | 145.3 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -70.8 | 102.8 | 166.6 | -79.5 | -163.5 | 150.5 | 0 | 0 | 109.9 | E473 | E473-E475 PolarHBondContact O-N 3.04Š| ||
| 476 | D | 27.6 | Very low | 30.1 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | -106.9 | 131 | 161.8 | -121.6 | -18.4 | 0 | 0 | 0 | 110 | E474 | E474-D476 PolarHBondContact O-N 3.09Š| ||
| 477 | I | 32.4 | Very low | 30 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -80.4 | 122.3 | -167.6 | -65.3 | 164.4 | 0 | 0 | 0 | 111.3 | ||||
| 478 | F | 28.5 | Very low | 29.8 | Very low | 200 Ų | 200 | 151.3 Ų | 151.3 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -152.6 | 144.4 | 140.6 | -144.3 | -100.6 | 0 | 0 | 0 | 114.9 | ||||
| 479 | D | 29.1 | Very low | 29.8 | Very low | 125 Ų | 125 | 150 Ų | 150 | 67% | 0.668 | 79% | 0.793 | S | S | * | * | trans | -87 | 141.7 | -169.1 | 179 | 14.9 | 0 | 0 | 0 | 113.3 | ||||
| 480 | S | 29.4 | Very low | 29.8 | Very low | 108 Ų | 108 | 152.8 Ų | 152.8 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -165 | 98.3 | 149.8 | -87.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 481 | T | 29.1 | Very low | 29.5 | Very low | 106 Ų | 106 | 155.5 Ų | 155.5 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | 74.7 | 112.4 | 120.8 | -53.4 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 482 | Q | 28.8 | Very low | 29.1 | Very low | 160 Ų | 160 | 155 Ų | 155 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | 96.3 | 111.6 | 144.3 | -79.9 | -177.7 | 21.4 | 0 | 0 | 124.2 | ||||
| 483 | M | 26.7 | Very low | 28.6 | Very low | 160 Ų | 160 | 156.2 Ų | 156.2 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | 69.5 | 132.6 | 127.4 | -53.3 | -82 | -178.3 | 0 | 0 | 118.8 | |||||
| 484 | V | 27.8 | Very low | 28.3 | Very low | 139 Ų | 139 | 153.9 Ų | 153.9 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | -167.2 | 135.1 | 58.1 | 163.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 485 | G | 27.7 | Very low | 28 | Very low | 70 Ų | 70 | 149.1 Ų | 149.1 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 65.2 | 150.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 486 | K | 27.8 | Very low | 27.8 | Very low | 187 Ų | 187 | 147 Ų | 147 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | cis | -175.7 | 166.8 | 10.7 | -121 | -175.2 | 173.1 | -106.6 | 0 | 107.8 | ||||
| 487 | D | 28.1 | Very low | 27.7 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 54% | 0.54 | 76% | 0.755 | S | S | . | * | cis | -163.3 | 132.8 | -5.8 | -149.3 | 8.1 | 0 | 0 | 0 | 109.9 | ||||
| 488 | R | 29.7 | Very low | 27.2 | Very low | 226 Ų | 226 | 147.7 Ų | 147.7 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | 66 | 152 | 158.6 | -57.5 | 173.5 | 92.7 | 138.9 | 5.1 | 119.8 | ||||
| 489 | A | 28.3 | Very low | 27.1 | Very low | 75 Ų | 75 | 145.1 Ų | 145.1 | 62% | 0.62 | 75% | 0.749 | S | S | * | * | cis | -170.3 | 157.8 | -18.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 490 | E | 28.8 | Very low | 27 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | 64.2 | 150 | 160.8 | -68.6 | 167.8 | 147.6 | 0 | 0 | 118 | ||||
| 491 | E | 25.9 | Very low | 26.8 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -151.4 | 168 | 6.5 | -137.8 | -167.5 | 146 | 0 | 0 | 114.1 | ||||
| 492 | R | 26 | Very low | 26.8 | Very low | 187 Ų | 187 | 148.4 Ų | 148.4 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -16.4 | 148.8 | 172 | -74.4 | 169.5 | 171.9 | 164.1 | -2.6 | 124.6 | ||||
| 493 | R | 25 | Very low | 26.7 | Very low | 212 Ų | 212 | 147.6 Ų | 147.6 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | trans | 41 | 137 | 130.2 | -54.1 | 175.8 | 172.6 | 172.5 | -4 | 118.5 | ||||
| 494 | T | 24.5 | Very low | 26.6 | Very low | 129 Ų | 129 | 146.6 Ų | 146.6 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | -163.9 | 168 | 55.7 | 42.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 495 | S | 25.6 | Very low | 26.5 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | trans | -52 | 159.1 | 157.2 | 52.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 496 | V | 26.7 | Very low | 26.4 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | -171.9 | 145.3 | 115.3 | 151.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 497 | D | 25.8 | Very low | 26.4 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | trans | -101.9 | 135.2 | 178.1 | 175.7 | 27.7 | 0 | 0 | 0 | 109.6 | ||||
| 498 | F | 22.6 | Very low | 26.2 | Very low | 197 Ų | 197 | 145.1 Ų | 145.1 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | -162.6 | 160.2 | 156.1 | -141.4 | -103.8 | 0 | 0 | 0 | 115.8 | ||||
| 499 | Q | 24.8 | Very low | 26 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | trans | -141.1 | 122.2 | -154.8 | 170.7 | -171 | 6.6 | 0 | 0 | 111.1 | ||||
| 500 | S | 27.2 | Very low | 25.8 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -172.4 | 137.4 | 148.4 | 53 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 501 | M | 26.4 | Very low | 25.6 | Very low | 139 Ų | 139 | 137 Ų | 137 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | cis | 94.6 | 135.5 | 22.2 | -157.9 | -176.6 | -149 | 0 | 0 | 113.9 | ||||
| 502 | F | 27.8 | Very low | 25.5 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 75.1 | 148.5 | 177.8 | -59.1 | -70 | 0 | 0 | 0 | 116.8 | ||||
| 503 | H | 26.4 | Very low | 25.5 | Very low | 143 Ų | 143 | 134 Ų | 134 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | cis | -143.5 | 168.1 | 1.6 | -114.3 | -72.7 | 0 | 0 | 0 | 105.9 | ||||
| 504 | D | 25.9 | Very low | 25.6 | Very low | 140 Ų | 140 | 130.8 Ų | 130.8 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | cis | -167.3 | -166.8 | 35.6 | -132.7 | -26.1 | 0 | 0 | 0 | 114.8 | ||||
| 505 | T | 25.9 | Very low | 25.7 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.724 | 75% | 0.746 | S | S | * | * | trans | -125.6 | 152.2 | -151.7 | -40.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 506 | A | 25.8 | Very low | 25.5 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 69% | 0.686 | 75% | 0.754 | S | S | * | * | trans | 69.6 | 158.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 507 | T | 26.2 | Very low | 25.4 | Very low | 123 Ų | 123 | 133 Ų | 133 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | cis | -167.3 | 161 | 4.5 | 10.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 508 | I | 25.5 | Very low | 25.3 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | trans | 84 | 107.4 | 143.9 | -72 | 162.9 | 0 | 0 | 0 | 122.9 | ||||
| 509 | T | 24.7 | Very low | 25.5 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 54 | 129.1 | 137 | 72.8 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 510 | S | 24.7 | Very low | 25.4 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | trans | 77.8 | 132.5 | 135.7 | -155.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 511 | G | 23.7 | Very low | 25.6 | Very low | 64 Ų | 64 | 131.2 Ų | 131.2 | 66% | 0.66 | 75% | 0.747 | S | S | * | * | trans | 135.2 | 75 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 512 | S | 25.2 | Very low | 25.6 | Very low | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | 42.3 | 138.2 | 141.8 | 64.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 513 | H | 25.4 | Very low | 25.5 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 78% | 0.778 | 75% | 0.754 | S | S | * | * | trans | 88.7 | 107.1 | 157.3 | -69.2 | -70.6 | 0 | 0 | 0 | 121.3 | ||||
| 514 | N | 26.3 | Very low | 25.6 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | trans | 32.1 | 123.9 | 137.7 | -60.1 | -6.3 | 0 | 0 | 0 | 121.1 | ||||
| 515 | V | 26.5 | Very low | 25.8 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | 156.5 | 141.8 | 111 | 165.2 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 516 | M | 22.6 | Very low | 26 | Very low | 176 Ų | 176 | 136 Ų | 136 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | 82.2 | 140.8 | 160.9 | -88.5 | 167.8 | -170.6 | 0 | 0 | 122.6 | ||||
| 517 | C | 24.9 | Very low | 26 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | -42.5 | 161.2 | 166.4 | -46 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 518 | V | 23.9 | Very low | 26.1 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | -160.7 | 148 | 57.1 | 162.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 519 | L | 25.7 | Very low | 26.2 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 16.5 | 136.8 | 154.2 | -51.1 | 168.9 | 0 | 0 | 0 | 118.5 | ||||
| 520 | D | 23.4 | Very low | 26.5 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | -163.2 | 161.7 | 77.4 | -122.1 | -22.3 | 0 | 0 | 0 | 118.2 | |||||
| 521 | M | 29.9 | Very low | 26.7 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 70% | 0.7 | 79% | 0.794 | S | S | * | * | trans | 43.5 | 117.2 | 152.1 | -71.9 | 174.8 | 65 | 0 | 0 | 123.4 | ||||
| 522 | D | 26.5 | Very low | 27 | Very low | 138 Ų | 138 | 154 Ų | 154 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | 50.8 | 113.5 | 124.3 | -52.8 | -23.8 | 0 | 0 | 0 | 121.7 | |||||
| 523 | N | 27.1 | Very low | 27.2 | Very low | 148 Ų | 148 | 155.4 Ų | 155.4 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | -157.5 | 151.6 | 109 | -140.7 | -25.5 | 0 | 0 | 0 | 114.3 | |||||
| 524 | N | 27.5 | Very low | 27.5 | Very low | 138 Ų | 138 | 152.1 Ų | 152.1 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | trans | -38.2 | 140.7 | 175.6 | -66.5 | -71 | 0 | 0 | 0 | 117.8 | ||||
| 525 | Q | 29.8 | Very low | 27.8 | Very low | 195 Ų | 195 | 152.5 Ų | 152.5 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | -162.8 | 143 | 106.6 | -110 | 169 | -11 | 0 | 0 | 113.6 | |||||
| 526 | M | 30.7 | Very low | 28.2 | Very low | 182 Ų | 182 | 152.2 Ų | 152.2 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -81.2 | 144.6 | 167.3 | -73 | 176.6 | -87.5 | 0 | 0 | 109.9 | ||||
| 527 | E | 26.3 | Very low | 28.6 | Very low | 192 Ų | 192 | 151.7 Ų | 151.7 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -143.4 | 140.9 | 148.7 | -152.3 | 158.9 | -151.9 | 0 | 0 | 111.4 | ||||
| 528 | F | 28.5 | Very low | 28.8 | Very low | 198 Ų | 198 | 153.9 Ų | 153.9 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -79.6 | 152.9 | 173.1 | -105 | -109 | 0 | 0 | 0 | 109.2 | ||||
| 529 | D | 28 | Very low | 29.4 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -146.7 | 158.3 | 152.1 | -136.7 | -18.7 | 0 | 0 | 0 | 115.6 | ||||
| 530 | I | 29.8 | Very low | 29.7 | Very low | 141 Ų | 141 | 153 Ų | 153 | 72% | 0.723 | 82% | 0.816 | S | S | * | * | trans | -98.7 | 130.4 | -154.1 | -69.2 | 164.1 | 0 | 0 | 0 | 111.4 | Q532 | I530-Q532 PolarHBondContact O-N 2.82Å; I530-Q532 VanDerWaalsContact O-N 3.14Å | ||
| 531 | L | 28.6 | Very low | 30 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -76.2 | 98.6 | 171 | -78.7 | 169.5 | 0 | 0 | 0 | 111 | ||||
| 532 | Q | 30 | Very low | 29.9 | Very low | 177 Ų | 177 | 154.3 Ų | 154.3 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 137.7 | 168.6 | -156.6 | 161.6 | 3.5 | 0 | 0 | 111.6 | I530 | I530-Q532 PolarHBondContact O-N 2.82Å; I530-Q532 VanDerWaalsContact O-N 3.14Å |
| 533 | T | 30.5 | Very low | 30.1 | Very low | 135 Ų | 135 | 157.8 Ų | 157.8 | 83% | 0.828 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 129.9 | -169.3 | 47.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 534 | A | 31.7 | Very low | 30.3 | Very low | 100 Ų | 100 | 154.6 Ų | 154.6 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 126.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 535 | I | 32.1 | Very low | 30.4 | Very low | 152 Ų | 152 | 156.3 Ų | 156.3 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -94 | 136.4 | 163.4 | -63.7 | 169.8 | 0 | 0 | 0 | 106.8 | ||
| 536 | P | 34 | Very low | 30.6 | Very low | 119 Ų | 119 | 156 Ų | 156 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 135.3 | -179.5 | 32.8 | -33.1 | 0 | 0 | 0 | 111.9 | ||
| 537 | L | 31.1 | Very low | 30.9 | Very low | 165 Ų | 165 | 156.4 Ų | 156.4 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | trans | -137.5 | 126.7 | 162 | -74.4 | 175.4 | 0 | 0 | 0 | 108.9 | ||||
| 538 | D | 30.6 | Very low | 31.2 | Very low | 161 Ų | 161 | 155.9 Ų | 155.9 | 86% | 0.861 | 85% | 0.847 | S | S | * | * | trans | -73.4 | 143 | -179.1 | -72.4 | -51.6 | 0 | 0 | 0 | 112.6 | ||||
| 539 | P | 34.9 | Very low | 31.3 | Very low | 120 Ų | 120 | 153.8 Ų | 153.8 | 78% | 0.779 | 85% | 0.846 | S | S | * | * | trans | -106.4 | 103.5 | 173 | 35.6 | -26.9 | 0 | 0 | 0 | 112.3 | ||||
| 540 | V | 32.2 | Very low | 31.5 | Very low | 136 Ų | 136 | 153.7 Ų | 153.7 | 82% | 0.824 | 85% | 0.847 | S | S | * | * | trans | -136.4 | 123.7 | 165.3 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 541 | S | 29.5 | Very low | 31.6 | Very low | 93 Ų | 93 | 154.4 Ų | 154.4 | 65% | 0.65 | 85% | 0.854 | S | S | * | * | trans | 64 | 110.4 | 166.7 | -160.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 542 | Y | 27.8 | Very low | 31.7 | Very low | 214 Ų | 214 | 152.8 Ų | 152.8 | 84% | 0.839 | 85% | 0.848 | S | S | * | * | -162.1 | 141.9 | 93 | -119.4 | -93.9 | 0 | 0 | 0 | 111.7 | |||||
| 543 | K | 31.1 | Very low | 31.8 | Very low | 211 Ų | 211 | 151.3 Ų | 151.3 | 92% | 0.917 | 85% | 0.849 | S | S | * | * | trans | -139 | 102.1 | 176.9 | -152.8 | -164.4 | -164.8 | -170.6 | 0 | 107.5 | ||||
| 544 | S | 30.9 | Very low | 31.9 | Very low | 81 Ų | 81 | 152.4 Ų | 152.4 | 57% | 0.566 | 85% | 0.851 | S | S | * | * | trans | -163 | 153.5 | 158.4 | 62.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 545 | E | 30.7 | Very low | 31.9 | Very low | 175 Ų | 175 | 156.1 Ų | 156.1 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | trans | 69.4 | 88 | 159.7 | -70.8 | 138 | 160.9 | 0 | 0 | 119 | ||||
| 546 | Q | 34 | Very low | 31.9 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 88% | 0.879 | 86% | 0.858 | S | S | * | * | -61.9 | 128.5 | 129.9 | -61.2 | 165.4 | -91.6 | 0 | 0 | 109.1 | |||||
| 547 | E | 36.1 | Very low | 31.8 | Very low | 190 Ų | 190 | 159.6 Ų | 159.6 | 89% | 0.888 | 87% | 0.865 | S | S | * | * | trans | 165.7 | 151.5 | 130.1 | -92.2 | -176.3 | 168.5 | 0 | 0 | 110.7 | ||||
| 548 | A | 32.3 | Very low | 31.8 | Very low | 181 Ų | 181 | 159.1 Ų | 159.1 | 100% | 1.496 | 87% | 0.865 | S | S | * | * | trans | 76.7 | 0 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.8 |
Retrieved 548 of 548 residues in 274.4 ms
(Link to these results)